USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 507 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 MET CE :methyl 165:sc= 0 (180deg=-0.541) USER MOD Single : A 12 GLN : amide:sc= -0.679 K(o=-0.68,f=-2.9e-05) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 17 GLN : amide:sc= 1.76 K(o=1.8,f=-1.5) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -152:sc= 0.561 (180deg=0.143) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.0177 X(o=-0.018,f=-0.36) USER MOD Single : A 36 ASN : amide:sc= 0.786 K(o=0.79,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0122) USER MOD Single : A 61 ASN : amide:sc= 0.0251 X(o=0.025,f=-0.0043) USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 2 -6.614 -0.952 6.296 1.00 0.00 N ATOM 38 CA MET A 2 -5.793 -0.632 5.132 1.00 0.00 C ATOM 39 C MET A 2 -4.319 -0.786 5.473 1.00 0.00 C ATOM 40 O MET A 2 -3.603 -1.490 4.765 1.00 0.00 O ATOM 41 CB MET A 2 -6.099 0.773 4.590 1.00 0.00 C ATOM 42 CG MET A 2 -7.093 0.692 3.434 1.00 0.00 C ATOM 43 SD MET A 2 -7.533 2.251 2.627 1.00 0.00 S ATOM 44 CE MET A 2 -6.095 2.426 1.541 1.00 0.00 C ATOM 0 HA MET A 2 -6.040 -1.337 4.338 1.00 0.00 H new ATOM 0 HB2 MET A 2 -6.507 1.396 5.386 1.00 0.00 H new ATOM 0 HB3 MET A 2 -5.178 1.249 4.253 1.00 0.00 H new ATOM 0 HG2 MET A 2 -6.682 0.022 2.679 1.00 0.00 H new ATOM 0 HG3 MET A 2 -8.008 0.231 3.805 1.00 0.00 H new ATOM 0 HE1 MET A 2 -6.304 3.177 0.779 1.00 0.00 H new ATOM 0 HE2 MET A 2 -5.231 2.736 2.129 1.00 0.00 H new ATOM 0 HE3 MET A 2 -5.884 1.471 1.061 1.00 0.00 H new ATOM 54 N GLY A 3 -3.861 -0.129 6.537 1.00 0.00 N ATOM 55 CA GLY A 3 -2.496 -0.246 7.025 1.00 0.00 C ATOM 56 C GLY A 3 -2.076 -1.707 7.191 1.00 0.00 C ATOM 57 O GLY A 3 -0.975 -2.085 6.778 1.00 0.00 O ATOM 0 H GLY A 3 -4.438 0.506 7.088 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.818 0.251 6.331 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.406 0.269 7.981 1.00 0.00 H new ATOM 61 N GLU A 4 -2.953 -2.545 7.751 1.00 0.00 N ATOM 62 CA GLU A 4 -2.705 -3.977 7.860 1.00 0.00 C ATOM 63 C GLU A 4 -2.641 -4.618 6.481 1.00 0.00 C ATOM 64 O GLU A 4 -1.714 -5.377 6.234 1.00 0.00 O ATOM 65 CB GLU A 4 -3.805 -4.698 8.648 1.00 0.00 C ATOM 66 CG GLU A 4 -3.923 -4.326 10.121 1.00 0.00 C ATOM 67 CD GLU A 4 -4.875 -5.316 10.785 1.00 0.00 C ATOM 68 OE1 GLU A 4 -6.106 -5.112 10.743 1.00 0.00 O ATOM 69 OE2 GLU A 4 -4.407 -6.357 11.300 1.00 0.00 O ATOM 0 H GLU A 4 -3.849 -2.248 8.138 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.755 -4.079 8.385 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.761 -4.498 8.165 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.631 -5.772 8.577 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.945 -4.358 10.601 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.297 -3.308 10.228 1.00 0.00 H new ATOM 76 N ARG A 5 -3.602 -4.341 5.593 1.00 0.00 N ATOM 77 CA ARG A 5 -3.706 -4.959 4.268 1.00 0.00 C ATOM 78 C ARG A 5 -2.419 -4.715 3.494 1.00 0.00 C ATOM 79 O ARG A 5 -1.885 -5.609 2.841 1.00 0.00 O ATOM 80 CB ARG A 5 -4.883 -4.325 3.499 1.00 0.00 C ATOM 81 CG ARG A 5 -6.093 -5.252 3.489 1.00 0.00 C ATOM 82 CD ARG A 5 -7.207 -4.767 2.556 1.00 0.00 C ATOM 83 NE ARG A 5 -7.834 -3.486 2.943 1.00 0.00 N ATOM 84 CZ ARG A 5 -8.673 -3.264 3.960 1.00 0.00 C ATOM 85 NH1 ARG A 5 -8.864 -4.183 4.893 1.00 0.00 N ATOM 86 NH2 ARG A 5 -9.327 -2.118 4.033 1.00 0.00 N ATOM 0 H ARG A 5 -4.344 -3.667 5.780 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.872 -6.031 4.379 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.153 -3.374 3.959 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.578 -4.108 2.475 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.778 -6.249 3.183 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -6.486 -5.339 4.502 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.799 -4.665 1.550 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -7.981 -5.533 2.510 1.00 0.00 H new ATOM 0 HE ARG A 5 -7.599 -2.677 2.367 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -8.368 -5.073 4.841 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.507 -4.001 5.664 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.191 -1.406 3.315 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.968 -1.945 4.807 1.00 0.00 H new ATOM 100 N ILE A 6 -1.927 -3.483 3.552 1.00 0.00 N ATOM 101 CA ILE A 6 -0.727 -3.048 2.869 1.00 0.00 C ATOM 102 C ILE A 6 0.463 -3.816 3.428 1.00 0.00 C ATOM 103 O ILE A 6 1.247 -4.335 2.631 1.00 0.00 O ATOM 104 CB ILE A 6 -0.608 -1.517 3.011 1.00 0.00 C ATOM 105 CG1 ILE A 6 -1.742 -0.861 2.180 1.00 0.00 C ATOM 106 CG2 ILE A 6 0.769 -0.989 2.560 1.00 0.00 C ATOM 107 CD1 ILE A 6 -1.996 0.606 2.521 1.00 0.00 C ATOM 0 H ILE A 6 -2.370 -2.741 4.094 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.761 -3.264 1.801 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.705 -1.256 4.065 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.494 -0.939 1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.663 -1.423 2.334 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.801 0.094 2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.550 -1.445 3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.931 -1.243 1.512 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.803 0.990 1.897 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.277 0.692 3.571 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.090 1.184 2.339 1.00 0.00 H new ATOM 119 N ARG A 7 0.621 -3.907 4.757 1.00 0.00 N ATOM 120 CA ARG A 7 1.688 -4.751 5.292 1.00 0.00 C ATOM 121 C ARG A 7 1.508 -6.201 4.863 1.00 0.00 C ATOM 122 O ARG A 7 2.461 -6.794 4.375 1.00 0.00 O ATOM 123 CB ARG A 7 1.815 -4.645 6.818 1.00 0.00 C ATOM 124 CG ARG A 7 3.160 -5.285 7.232 1.00 0.00 C ATOM 125 CD ARG A 7 3.575 -5.101 8.690 1.00 0.00 C ATOM 126 NE ARG A 7 2.616 -5.711 9.621 1.00 0.00 N ATOM 127 CZ ARG A 7 1.884 -5.060 10.535 1.00 0.00 C ATOM 128 NH1 ARG A 7 1.878 -3.734 10.599 1.00 0.00 N ATOM 129 NH2 ARG A 7 1.144 -5.725 11.406 1.00 0.00 N ATOM 0 H ARG A 7 0.048 -3.427 5.452 1.00 0.00 H new ATOM 0 HA ARG A 7 2.621 -4.378 4.870 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.777 -3.602 7.132 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.984 -5.155 7.306 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.110 -6.354 7.023 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.945 -4.873 6.598 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.560 -5.542 8.844 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.665 -4.037 8.909 1.00 0.00 H new ATOM 0 HE ARG A 7 2.497 -6.723 9.567 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.439 -3.189 9.944 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.313 -3.260 11.303 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.126 -6.745 11.387 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.591 -5.218 12.097 1.00 0.00 H new ATOM 143 N ALA A 8 0.301 -6.737 4.974 1.00 0.00 N ATOM 144 CA ALA A 8 -0.004 -8.133 4.715 1.00 0.00 C ATOM 145 C ALA A 8 0.450 -8.515 3.316 1.00 0.00 C ATOM 146 O ALA A 8 1.243 -9.445 3.151 1.00 0.00 O ATOM 147 CB ALA A 8 -1.492 -8.421 4.934 1.00 0.00 C ATOM 0 H ALA A 8 -0.516 -6.195 5.255 1.00 0.00 H new ATOM 0 HA ALA A 8 0.545 -8.752 5.425 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.692 -9.473 4.733 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.759 -8.191 5.965 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -2.085 -7.804 4.260 1.00 0.00 H new ATOM 153 N ARG A 9 -0.006 -7.767 2.314 1.00 0.00 N ATOM 154 CA ARG A 9 0.260 -8.082 0.921 1.00 0.00 C ATOM 155 C ARG A 9 1.736 -7.841 0.589 1.00 0.00 C ATOM 156 O ARG A 9 2.310 -8.569 -0.222 1.00 0.00 O ATOM 157 CB ARG A 9 -0.723 -7.263 0.074 1.00 0.00 C ATOM 158 CG ARG A 9 -1.179 -7.913 -1.236 1.00 0.00 C ATOM 159 CD ARG A 9 -0.021 -8.205 -2.182 1.00 0.00 C ATOM 160 NE ARG A 9 -0.495 -8.391 -3.554 1.00 0.00 N ATOM 161 CZ ARG A 9 0.019 -9.282 -4.417 1.00 0.00 C ATOM 162 NH1 ARG A 9 1.252 -9.745 -4.217 1.00 0.00 N ATOM 163 NH2 ARG A 9 -0.680 -9.673 -5.477 1.00 0.00 N ATOM 0 H ARG A 9 -0.569 -6.927 2.449 1.00 0.00 H new ATOM 0 HA ARG A 9 0.098 -9.137 0.700 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.605 -7.052 0.679 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.260 -6.305 -0.160 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.703 -8.842 -1.012 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.892 -7.256 -1.734 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.695 -7.384 -2.150 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.506 -9.100 -1.851 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.266 -7.806 -3.876 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.794 -9.422 -3.416 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.654 -10.422 -4.865 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.614 -9.296 -5.640 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.283 -10.350 -6.128 1.00 0.00 H new ATOM 177 N ARG A 10 2.386 -6.845 1.201 1.00 0.00 N ATOM 178 CA ARG A 10 3.833 -6.650 1.102 1.00 0.00 C ATOM 179 C ARG A 10 4.561 -7.893 1.606 1.00 0.00 C ATOM 180 O ARG A 10 5.295 -8.518 0.844 1.00 0.00 O ATOM 181 CB ARG A 10 4.216 -5.395 1.912 1.00 0.00 C ATOM 182 CG ARG A 10 5.667 -4.934 1.726 1.00 0.00 C ATOM 183 CD ARG A 10 5.796 -3.408 1.697 1.00 0.00 C ATOM 184 NE ARG A 10 5.030 -2.763 2.762 1.00 0.00 N ATOM 185 CZ ARG A 10 5.198 -2.941 4.072 1.00 0.00 C ATOM 186 NH1 ARG A 10 6.240 -3.597 4.572 1.00 0.00 N ATOM 187 NH2 ARG A 10 4.275 -2.438 4.863 1.00 0.00 N ATOM 0 H ARG A 10 1.919 -6.149 1.782 1.00 0.00 H new ATOM 0 HA ARG A 10 4.129 -6.499 0.064 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.550 -4.579 1.630 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.045 -5.595 2.970 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.278 -5.332 2.536 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.060 -5.347 0.797 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.847 -3.133 1.791 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.455 -3.036 0.731 1.00 0.00 H new ATOM 0 HE ARG A 10 4.297 -2.115 2.475 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.946 -3.985 3.947 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.334 -3.712 5.581 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.479 -1.940 4.465 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.356 -2.546 5.874 1.00 0.00 H new ATOM 201 N ILE A 11 4.330 -8.266 2.860 1.00 0.00 N ATOM 202 CA ILE A 11 4.935 -9.422 3.518 1.00 0.00 C ATOM 203 C ILE A 11 4.671 -10.701 2.723 1.00 0.00 C ATOM 204 O ILE A 11 5.558 -11.545 2.652 1.00 0.00 O ATOM 205 CB ILE A 11 4.442 -9.505 4.981 1.00 0.00 C ATOM 206 CG1 ILE A 11 4.955 -8.319 5.834 1.00 0.00 C ATOM 207 CG2 ILE A 11 4.802 -10.833 5.672 1.00 0.00 C ATOM 208 CD1 ILE A 11 6.474 -8.234 6.011 1.00 0.00 C ATOM 0 H ILE A 11 3.693 -7.754 3.470 1.00 0.00 H new ATOM 0 HA ILE A 11 6.018 -9.303 3.547 1.00 0.00 H new ATOM 0 HB ILE A 11 3.355 -9.452 4.915 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.609 -7.391 5.378 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.496 -8.380 6.821 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.426 -10.824 6.695 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.350 -11.661 5.127 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.885 -10.955 5.684 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.721 -7.367 6.624 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.835 -9.139 6.500 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.949 -8.135 5.035 1.00 0.00 H new ATOM 220 N GLN A 12 3.518 -10.833 2.065 1.00 0.00 N ATOM 221 CA GLN A 12 3.212 -11.966 1.193 1.00 0.00 C ATOM 222 C GLN A 12 4.214 -12.167 0.056 1.00 0.00 C ATOM 223 O GLN A 12 4.446 -13.292 -0.396 1.00 0.00 O ATOM 224 CB GLN A 12 1.802 -11.777 0.610 1.00 0.00 C ATOM 225 CG GLN A 12 1.140 -13.090 0.168 1.00 0.00 C ATOM 226 CD GLN A 12 -0.190 -12.883 -0.565 1.00 0.00 C ATOM 227 OE1 GLN A 12 -1.093 -13.708 -0.453 1.00 0.00 O ATOM 228 NE2 GLN A 12 -0.319 -11.844 -1.378 1.00 0.00 N ATOM 0 H GLN A 12 2.764 -10.149 2.124 1.00 0.00 H new ATOM 0 HA GLN A 12 3.273 -12.863 1.809 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.171 -11.295 1.356 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.858 -11.102 -0.244 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.825 -13.633 -0.483 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.970 -13.716 1.044 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.438 -11.166 -1.463 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.175 -11.723 -1.919 1.00 0.00 H new ATOM 237 N LEU A 13 4.792 -11.074 -0.431 1.00 0.00 N ATOM 238 CA LEU A 13 5.843 -11.072 -1.442 1.00 0.00 C ATOM 239 C LEU A 13 7.230 -10.984 -0.786 1.00 0.00 C ATOM 240 O LEU A 13 8.237 -11.105 -1.477 1.00 0.00 O ATOM 241 CB LEU A 13 5.524 -9.924 -2.408 1.00 0.00 C ATOM 242 CG LEU A 13 6.479 -9.696 -3.600 1.00 0.00 C ATOM 243 CD1 LEU A 13 6.773 -10.960 -4.407 1.00 0.00 C ATOM 244 CD2 LEU A 13 5.825 -8.691 -4.561 1.00 0.00 C ATOM 0 H LEU A 13 4.534 -10.136 -0.123 1.00 0.00 H new ATOM 0 HA LEU A 13 5.873 -12.002 -2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.524 -10.092 -2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.485 -9.001 -1.829 1.00 0.00 H new ATOM 0 HG LEU A 13 7.420 -9.342 -3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.450 -10.719 -5.226 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.236 -11.705 -3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.842 -11.359 -4.811 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.486 -8.517 -5.410 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.876 -9.092 -4.916 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.649 -7.750 -4.039 1.00 0.00 H new ATOM 256 N GLY A 14 7.289 -10.831 0.539 1.00 0.00 N ATOM 257 CA GLY A 14 8.506 -10.830 1.340 1.00 0.00 C ATOM 258 C GLY A 14 9.471 -9.731 0.913 1.00 0.00 C ATOM 259 O GLY A 14 10.689 -9.923 0.931 1.00 0.00 O ATOM 0 H GLY A 14 6.450 -10.699 1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.248 -10.697 2.391 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.998 -11.799 1.252 1.00 0.00 H new ATOM 263 N LEU A 15 8.928 -8.581 0.509 1.00 0.00 N ATOM 264 CA LEU A 15 9.639 -7.376 0.149 1.00 0.00 C ATOM 265 C LEU A 15 9.383 -6.267 1.168 1.00 0.00 C ATOM 266 O LEU A 15 8.420 -6.328 1.932 1.00 0.00 O ATOM 267 CB LEU A 15 9.327 -7.088 -1.328 1.00 0.00 C ATOM 268 CG LEU A 15 8.296 -5.987 -1.590 1.00 0.00 C ATOM 269 CD1 LEU A 15 8.348 -5.491 -3.038 1.00 0.00 C ATOM 270 CD2 LEU A 15 6.886 -6.529 -1.387 1.00 0.00 C ATOM 0 H LEU A 15 7.918 -8.471 0.423 1.00 0.00 H new ATOM 0 HA LEU A 15 10.723 -7.476 0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.256 -6.816 -1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.972 -8.009 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 15 8.531 -5.178 -0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.601 -4.710 -3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.339 -5.089 -3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.141 -6.320 -3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.161 -5.737 -1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.710 -7.354 -2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.777 -6.884 -0.362 1.00 0.00 H new ATOM 282 N ASN A 16 10.223 -5.235 1.146 1.00 0.00 N ATOM 283 CA ASN A 16 10.205 -4.177 2.167 1.00 0.00 C ATOM 284 C ASN A 16 9.375 -2.990 1.709 1.00 0.00 C ATOM 285 O ASN A 16 9.028 -2.883 0.530 1.00 0.00 O ATOM 286 CB ASN A 16 11.617 -3.686 2.533 1.00 0.00 C ATOM 287 CG ASN A 16 12.464 -4.784 3.138 1.00 0.00 C ATOM 288 OD1 ASN A 16 11.997 -5.500 4.022 1.00 0.00 O ATOM 289 ND2 ASN A 16 13.694 -4.939 2.685 1.00 0.00 N ATOM 0 H ASN A 16 10.934 -5.104 0.426 1.00 0.00 H new ATOM 0 HA ASN A 16 9.756 -4.623 3.055 1.00 0.00 H new ATOM 0 HB2 ASN A 16 12.109 -3.300 1.640 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.541 -2.858 3.238 1.00 0.00 H new ATOM 0 HD21 ASN A 16 14.291 -5.672 3.069 1.00 0.00 H new ATOM 0 HD22 ASN A 16 14.048 -4.326 1.950 1.00 0.00 H new ATOM 296 N GLN A 17 9.095 -2.056 2.626 1.00 0.00 N ATOM 297 CA GLN A 17 8.524 -0.757 2.297 1.00 0.00 C ATOM 298 C GLN A 17 9.310 -0.083 1.180 1.00 0.00 C ATOM 299 O GLN A 17 8.686 0.360 0.224 1.00 0.00 O ATOM 300 CB GLN A 17 8.508 0.139 3.540 1.00 0.00 C ATOM 301 CG GLN A 17 7.529 -0.342 4.613 1.00 0.00 C ATOM 302 CD GLN A 17 7.549 0.549 5.844 1.00 0.00 C ATOM 303 OE1 GLN A 17 8.388 1.435 5.975 1.00 0.00 O ATOM 304 NE2 GLN A 17 6.636 0.309 6.763 1.00 0.00 N ATOM 0 H GLN A 17 9.262 -2.188 3.624 1.00 0.00 H new ATOM 0 HA GLN A 17 7.502 -0.911 1.951 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.511 0.180 3.964 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.245 1.155 3.245 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.521 -0.366 4.199 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.780 -1.363 4.901 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.953 -0.436 6.622 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.612 0.868 7.616 1.00 0.00 H new ATOM 313 N ALA A 18 10.644 -0.033 1.273 1.00 0.00 N ATOM 314 CA ALA A 18 11.495 0.606 0.277 1.00 0.00 C ATOM 315 C ALA A 18 11.304 -0.021 -1.103 1.00 0.00 C ATOM 316 O ALA A 18 11.301 0.691 -2.107 1.00 0.00 O ATOM 317 CB ALA A 18 12.966 0.495 0.693 1.00 0.00 C ATOM 0 H ALA A 18 11.163 -0.440 2.051 1.00 0.00 H new ATOM 0 HA ALA A 18 11.209 1.656 0.218 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.594 0.975 -0.058 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.110 0.987 1.655 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.242 -0.556 0.778 1.00 0.00 H new ATOM 323 N GLU A 19 11.152 -1.343 -1.154 1.00 0.00 N ATOM 324 CA GLU A 19 11.044 -2.070 -2.412 1.00 0.00 C ATOM 325 C GLU A 19 9.689 -1.798 -3.054 1.00 0.00 C ATOM 326 O GLU A 19 9.612 -1.391 -4.215 1.00 0.00 O ATOM 327 CB GLU A 19 11.221 -3.578 -2.201 1.00 0.00 C ATOM 328 CG GLU A 19 12.470 -3.961 -1.402 1.00 0.00 C ATOM 329 CD GLU A 19 13.030 -5.355 -1.698 1.00 0.00 C ATOM 330 OE1 GLU A 19 12.538 -6.058 -2.606 1.00 0.00 O ATOM 331 OE2 GLU A 19 13.988 -5.740 -0.984 1.00 0.00 O ATOM 0 H GLU A 19 11.101 -1.936 -0.326 1.00 0.00 H new ATOM 0 HA GLU A 19 11.839 -1.722 -3.071 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.342 -3.967 -1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.263 -4.067 -3.174 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.249 -3.224 -1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.235 -3.899 -0.339 1.00 0.00 H new ATOM 338 N LEU A 20 8.614 -1.979 -2.274 1.00 0.00 N ATOM 339 CA LEU A 20 7.262 -1.680 -2.726 1.00 0.00 C ATOM 340 C LEU A 20 7.222 -0.234 -3.208 1.00 0.00 C ATOM 341 O LEU A 20 6.734 0.036 -4.302 1.00 0.00 O ATOM 342 CB LEU A 20 6.243 -1.944 -1.598 1.00 0.00 C ATOM 343 CG LEU A 20 4.785 -1.613 -1.993 1.00 0.00 C ATOM 344 CD1 LEU A 20 4.254 -2.561 -3.074 1.00 0.00 C ATOM 345 CD2 LEU A 20 3.823 -1.684 -0.801 1.00 0.00 C ATOM 0 H LEU A 20 8.664 -2.335 -1.319 1.00 0.00 H new ATOM 0 HA LEU A 20 6.986 -2.333 -3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.302 -2.992 -1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.518 -1.352 -0.725 1.00 0.00 H new ATOM 0 HG LEU A 20 4.821 -0.592 -2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.227 -2.292 -3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.875 -2.480 -3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.282 -3.586 -2.705 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.813 -1.443 -1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.837 -2.690 -0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.134 -0.969 -0.039 1.00 0.00 H new ATOM 357 N ALA A 21 7.760 0.682 -2.405 1.00 0.00 N ATOM 358 CA ALA A 21 7.791 2.096 -2.700 1.00 0.00 C ATOM 359 C ALA A 21 8.456 2.372 -4.043 1.00 0.00 C ATOM 360 O ALA A 21 7.846 3.051 -4.870 1.00 0.00 O ATOM 361 CB ALA A 21 8.482 2.857 -1.572 1.00 0.00 C ATOM 0 H ALA A 21 8.194 0.447 -1.513 1.00 0.00 H new ATOM 0 HA ALA A 21 6.763 2.450 -2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.498 3.921 -1.808 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.938 2.700 -0.641 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.504 2.494 -1.461 1.00 0.00 H new ATOM 367 N GLN A 22 9.653 1.827 -4.282 1.00 0.00 N ATOM 368 CA GLN A 22 10.414 2.080 -5.500 1.00 0.00 C ATOM 369 C GLN A 22 9.603 1.664 -6.725 1.00 0.00 C ATOM 370 O GLN A 22 9.574 2.382 -7.727 1.00 0.00 O ATOM 371 CB GLN A 22 11.769 1.349 -5.425 1.00 0.00 C ATOM 372 CG GLN A 22 12.691 1.674 -6.613 1.00 0.00 C ATOM 373 CD GLN A 22 14.063 1.015 -6.463 1.00 0.00 C ATOM 374 OE1 GLN A 22 14.790 1.273 -5.506 1.00 0.00 O ATOM 375 NE2 GLN A 22 14.469 0.172 -7.397 1.00 0.00 N ATOM 0 H GLN A 22 10.119 1.196 -3.630 1.00 0.00 H new ATOM 0 HA GLN A 22 10.616 3.147 -5.595 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.272 1.620 -4.497 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.595 0.274 -5.390 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.225 1.336 -7.538 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.813 2.754 -6.694 1.00 0.00 H new ATOM 0 HE21 GLN A 22 13.864 -0.040 -8.190 1.00 0.00 H new ATOM 0 HE22 GLN A 22 15.387 -0.266 -7.324 1.00 0.00 H new ATOM 384 N LYS A 23 8.916 0.519 -6.670 1.00 0.00 N ATOM 385 CA LYS A 23 8.185 0.010 -7.811 1.00 0.00 C ATOM 386 C LYS A 23 6.931 0.854 -8.050 1.00 0.00 C ATOM 387 O LYS A 23 6.632 1.196 -9.197 1.00 0.00 O ATOM 388 CB LYS A 23 7.961 -1.494 -7.589 1.00 0.00 C ATOM 389 CG LYS A 23 6.522 -1.895 -7.278 1.00 0.00 C ATOM 390 CD LYS A 23 6.451 -3.392 -7.051 1.00 0.00 C ATOM 391 CE LYS A 23 5.010 -3.767 -6.739 1.00 0.00 C ATOM 392 NZ LYS A 23 4.879 -5.238 -6.664 1.00 0.00 N ATOM 0 H LYS A 23 8.857 -0.068 -5.838 1.00 0.00 H new ATOM 0 HA LYS A 23 8.739 0.101 -8.745 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.286 -2.030 -8.481 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.599 -1.823 -6.769 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.169 -1.365 -6.393 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.868 -1.610 -8.102 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.798 -3.926 -7.936 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.104 -3.681 -6.228 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.704 -3.317 -5.794 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.347 -3.373 -7.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.911 -5.514 -6.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.553 -5.681 -7.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.081 -5.556 -5.694 1.00 0.00 H new ATOM 406 N VAL A 24 6.202 1.229 -6.993 1.00 0.00 N ATOM 407 CA VAL A 24 5.008 2.053 -7.115 1.00 0.00 C ATOM 408 C VAL A 24 5.412 3.505 -7.454 1.00 0.00 C ATOM 409 O VAL A 24 4.582 4.287 -7.917 1.00 0.00 O ATOM 410 CB VAL A 24 4.195 1.969 -5.806 1.00 0.00 C ATOM 411 CG1 VAL A 24 2.783 2.519 -5.997 1.00 0.00 C ATOM 412 CG2 VAL A 24 3.975 0.574 -5.184 1.00 0.00 C ATOM 0 H VAL A 24 6.428 0.967 -6.033 1.00 0.00 H new ATOM 0 HA VAL A 24 4.377 1.689 -7.926 1.00 0.00 H new ATOM 0 HB VAL A 24 4.831 2.545 -5.134 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.234 2.447 -5.058 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.838 3.563 -6.306 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.268 1.940 -6.764 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.388 0.671 -4.270 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.441 -0.060 -5.892 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.940 0.124 -4.950 1.00 0.00 H new ATOM 422 N GLY A 25 6.683 3.877 -7.276 1.00 0.00 N ATOM 423 CA GLY A 25 7.227 5.184 -7.614 1.00 0.00 C ATOM 424 C GLY A 25 6.982 6.228 -6.534 1.00 0.00 C ATOM 425 O GLY A 25 6.900 7.415 -6.837 1.00 0.00 O ATOM 0 H GLY A 25 7.382 3.250 -6.878 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.299 5.092 -7.786 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.783 5.525 -8.549 1.00 0.00 H new ATOM 429 N VAL A 26 6.767 5.796 -5.297 1.00 0.00 N ATOM 430 CA VAL A 26 6.561 6.612 -4.118 1.00 0.00 C ATOM 431 C VAL A 26 7.827 6.601 -3.253 1.00 0.00 C ATOM 432 O VAL A 26 8.819 5.973 -3.621 1.00 0.00 O ATOM 433 CB VAL A 26 5.295 6.106 -3.411 1.00 0.00 C ATOM 434 CG1 VAL A 26 4.078 6.122 -4.343 1.00 0.00 C ATOM 435 CG2 VAL A 26 5.405 4.689 -2.843 1.00 0.00 C ATOM 0 H VAL A 26 6.731 4.799 -5.082 1.00 0.00 H new ATOM 0 HA VAL A 26 6.394 7.661 -4.363 1.00 0.00 H new ATOM 0 HB VAL A 26 5.173 6.803 -2.582 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.203 5.757 -3.805 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.895 7.141 -4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.270 5.480 -5.203 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.466 4.416 -2.362 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.616 3.989 -3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.211 4.652 -2.111 1.00 0.00 H new ATOM 445 N ASP A 27 7.838 7.309 -2.125 1.00 0.00 N ATOM 446 CA ASP A 27 8.896 7.232 -1.127 1.00 0.00 C ATOM 447 C ASP A 27 8.559 6.039 -0.225 1.00 0.00 C ATOM 448 O ASP A 27 7.386 5.689 -0.069 1.00 0.00 O ATOM 449 CB ASP A 27 8.934 8.497 -0.240 1.00 0.00 C ATOM 450 CG ASP A 27 7.691 9.378 -0.277 1.00 0.00 C ATOM 451 OD1 ASP A 27 7.544 10.240 -1.172 1.00 0.00 O ATOM 452 OD2 ASP A 27 6.812 9.177 0.582 1.00 0.00 O ATOM 0 H ASP A 27 7.096 7.964 -1.877 1.00 0.00 H new ATOM 0 HA ASP A 27 9.860 7.134 -1.626 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.105 8.188 0.791 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.791 9.100 -0.539 1.00 0.00 H new ATOM 457 N GLN A 28 9.557 5.456 0.448 1.00 0.00 N ATOM 458 CA GLN A 28 9.330 4.489 1.524 1.00 0.00 C ATOM 459 C GLN A 28 8.372 5.073 2.567 1.00 0.00 C ATOM 460 O GLN A 28 7.477 4.370 3.043 1.00 0.00 O ATOM 461 CB GLN A 28 10.670 4.127 2.168 1.00 0.00 C ATOM 462 CG GLN A 28 10.539 3.088 3.282 1.00 0.00 C ATOM 463 CD GLN A 28 11.797 3.053 4.127 1.00 0.00 C ATOM 464 OE1 GLN A 28 12.774 2.396 3.778 1.00 0.00 O ATOM 465 NE2 GLN A 28 11.788 3.766 5.234 1.00 0.00 N ATOM 0 H GLN A 28 10.542 5.642 0.262 1.00 0.00 H new ATOM 0 HA GLN A 28 8.876 3.587 1.113 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.344 3.745 1.401 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.127 5.030 2.573 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.679 3.325 3.909 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.357 2.104 2.850 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.957 4.299 5.491 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.612 3.785 5.835 1.00 0.00 H new ATOM 474 N GLN A 29 8.542 6.360 2.881 1.00 0.00 N ATOM 475 CA GLN A 29 7.723 7.099 3.821 1.00 0.00 C ATOM 476 C GLN A 29 6.240 6.935 3.492 1.00 0.00 C ATOM 477 O GLN A 29 5.442 6.741 4.405 1.00 0.00 O ATOM 478 CB GLN A 29 8.147 8.574 3.860 1.00 0.00 C ATOM 479 CG GLN A 29 7.553 9.320 5.065 1.00 0.00 C ATOM 480 CD GLN A 29 7.858 10.812 4.991 1.00 0.00 C ATOM 481 OE1 GLN A 29 8.831 11.297 5.563 1.00 0.00 O ATOM 482 NE2 GLN A 29 7.078 11.570 4.242 1.00 0.00 N ATOM 0 H GLN A 29 9.282 6.928 2.468 1.00 0.00 H new ATOM 0 HA GLN A 29 7.877 6.690 4.820 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.235 8.636 3.897 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.831 9.065 2.940 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.474 9.167 5.096 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.960 8.908 5.988 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.272 11.162 3.769 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.282 12.564 4.136 1.00 0.00 H new ATOM 491 N ALA A 30 5.854 7.017 2.214 1.00 0.00 N ATOM 492 CA ALA A 30 4.475 6.838 1.790 1.00 0.00 C ATOM 493 C ALA A 30 3.918 5.502 2.274 1.00 0.00 C ATOM 494 O ALA A 30 2.771 5.453 2.714 1.00 0.00 O ATOM 495 CB ALA A 30 4.335 6.955 0.269 1.00 0.00 C ATOM 0 H ALA A 30 6.498 7.211 1.447 1.00 0.00 H new ATOM 0 HA ALA A 30 3.892 7.639 2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.291 6.816 -0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.669 7.942 -0.052 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.945 6.191 -0.212 1.00 0.00 H new ATOM 501 N ILE A 31 4.700 4.421 2.200 1.00 0.00 N ATOM 502 CA ILE A 31 4.247 3.103 2.618 1.00 0.00 C ATOM 503 C ILE A 31 4.182 3.056 4.154 1.00 0.00 C ATOM 504 O ILE A 31 3.226 2.499 4.690 1.00 0.00 O ATOM 505 CB ILE A 31 5.164 2.010 2.022 1.00 0.00 C ATOM 506 CG1 ILE A 31 5.326 2.095 0.488 1.00 0.00 C ATOM 507 CG2 ILE A 31 4.631 0.609 2.378 1.00 0.00 C ATOM 508 CD1 ILE A 31 4.039 2.189 -0.347 1.00 0.00 C ATOM 0 H ILE A 31 5.658 4.440 1.850 1.00 0.00 H new ATOM 0 HA ILE A 31 3.244 2.907 2.239 1.00 0.00 H new ATOM 0 HB ILE A 31 6.145 2.183 2.465 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.941 2.965 0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.881 1.217 0.157 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.287 -0.149 1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.602 0.495 3.462 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.626 0.488 1.973 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.295 2.243 -1.405 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.423 1.308 -0.167 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.485 3.083 -0.062 1.00 0.00 H new ATOM 520 N GLU A 32 5.148 3.648 4.865 1.00 0.00 N ATOM 521 CA GLU A 32 5.171 3.672 6.332 1.00 0.00 C ATOM 522 C GLU A 32 3.973 4.462 6.857 1.00 0.00 C ATOM 523 O GLU A 32 3.278 4.034 7.777 1.00 0.00 O ATOM 524 CB GLU A 32 6.495 4.280 6.829 1.00 0.00 C ATOM 525 CG GLU A 32 6.589 4.498 8.353 1.00 0.00 C ATOM 526 CD GLU A 32 6.362 3.257 9.228 1.00 0.00 C ATOM 527 OE1 GLU A 32 6.751 2.139 8.833 1.00 0.00 O ATOM 528 OE2 GLU A 32 5.855 3.416 10.364 1.00 0.00 O ATOM 0 H GLU A 32 5.940 4.127 4.437 1.00 0.00 H new ATOM 0 HA GLU A 32 5.102 2.652 6.711 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.313 3.629 6.521 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.645 5.238 6.332 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.575 4.903 8.581 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.859 5.256 8.637 1.00 0.00 H new ATOM 535 N GLN A 33 3.695 5.632 6.286 1.00 0.00 N ATOM 536 CA GLN A 33 2.560 6.419 6.718 1.00 0.00 C ATOM 537 C GLN A 33 1.257 5.671 6.407 1.00 0.00 C ATOM 538 O GLN A 33 0.317 5.700 7.195 1.00 0.00 O ATOM 539 CB GLN A 33 2.641 7.844 6.163 1.00 0.00 C ATOM 540 CG GLN A 33 2.151 8.003 4.731 1.00 0.00 C ATOM 541 CD GLN A 33 1.953 9.481 4.398 1.00 0.00 C ATOM 542 OE1 GLN A 33 0.958 10.070 4.813 1.00 0.00 O ATOM 543 NE2 GLN A 33 2.861 10.130 3.693 1.00 0.00 N ATOM 0 H GLN A 33 4.240 6.047 5.530 1.00 0.00 H new ATOM 0 HA GLN A 33 2.575 6.545 7.801 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.058 8.503 6.806 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.676 8.181 6.217 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.871 7.562 4.042 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.212 7.465 4.599 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.686 9.639 3.349 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.737 11.122 3.492 1.00 0.00 H new ATOM 552 N LEU A 34 1.175 4.965 5.282 1.00 0.00 N ATOM 553 CA LEU A 34 -0.035 4.258 4.913 1.00 0.00 C ATOM 554 C LEU A 34 -0.256 3.113 5.894 1.00 0.00 C ATOM 555 O LEU A 34 -1.401 2.827 6.239 1.00 0.00 O ATOM 556 CB LEU A 34 0.154 3.705 3.503 1.00 0.00 C ATOM 557 CG LEU A 34 -0.608 4.571 2.497 1.00 0.00 C ATOM 558 CD1 LEU A 34 -0.036 4.320 1.105 1.00 0.00 C ATOM 559 CD2 LEU A 34 -2.110 4.330 2.408 1.00 0.00 C ATOM 0 H LEU A 34 1.938 4.871 4.612 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.899 4.922 4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.214 3.686 3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.204 2.677 3.455 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.478 5.592 2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.570 4.931 0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.022 4.583 1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.151 3.267 0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.542 4.999 1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.296 3.296 2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.567 4.522 3.379 1.00 0.00 H new ATOM 571 N GLU A 35 0.831 2.497 6.362 1.00 0.00 N ATOM 572 CA GLU A 35 0.800 1.494 7.419 1.00 0.00 C ATOM 573 C GLU A 35 0.203 2.084 8.695 1.00 0.00 C ATOM 574 O GLU A 35 -0.733 1.513 9.242 1.00 0.00 O ATOM 575 CB GLU A 35 2.194 0.911 7.698 1.00 0.00 C ATOM 576 CG GLU A 35 2.475 -0.388 6.935 1.00 0.00 C ATOM 577 CD GLU A 35 3.364 -1.300 7.780 1.00 0.00 C ATOM 578 OE1 GLU A 35 2.873 -1.801 8.819 1.00 0.00 O ATOM 579 OE2 GLU A 35 4.520 -1.567 7.379 1.00 0.00 O ATOM 0 H GLU A 35 1.769 2.686 6.010 1.00 0.00 H new ATOM 0 HA GLU A 35 0.167 0.676 7.075 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.949 1.651 7.431 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.294 0.724 8.767 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.538 -0.893 6.700 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.963 -0.165 5.986 1.00 0.00 H new ATOM 586 N ASN A 36 0.686 3.243 9.152 1.00 0.00 N ATOM 587 CA ASN A 36 0.219 3.918 10.343 1.00 0.00 C ATOM 588 C ASN A 36 -1.240 4.374 10.237 1.00 0.00 C ATOM 589 O ASN A 36 -1.769 4.902 11.215 1.00 0.00 O ATOM 590 CB ASN A 36 1.104 5.155 10.529 1.00 0.00 C ATOM 591 CG ASN A 36 2.450 4.885 11.176 1.00 0.00 C ATOM 592 OD1 ASN A 36 2.566 4.678 12.379 1.00 0.00 O ATOM 593 ND2 ASN A 36 3.507 4.994 10.404 1.00 0.00 N ATOM 0 H ASN A 36 1.438 3.745 8.680 1.00 0.00 H new ATOM 0 HA ASN A 36 0.275 3.224 11.182 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.271 5.614 9.555 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.565 5.882 11.136 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.441 4.906 10.803 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.393 5.166 9.405 1.00 0.00 H new ATOM 600 N GLY A 37 -1.879 4.289 9.063 1.00 0.00 N ATOM 601 CA GLY A 37 -3.160 4.951 8.840 1.00 0.00 C ATOM 602 C GLY A 37 -2.996 6.463 8.700 1.00 0.00 C ATOM 603 O GLY A 37 -3.980 7.207 8.733 1.00 0.00 O ATOM 0 H GLY A 37 -1.527 3.769 8.259 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.625 4.550 7.939 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.832 4.733 9.670 1.00 0.00 H new ATOM 607 N LYS A 38 -1.761 6.949 8.546 1.00 0.00 N ATOM 608 CA LYS A 38 -1.457 8.361 8.459 1.00 0.00 C ATOM 609 C LYS A 38 -1.912 8.842 7.078 1.00 0.00 C ATOM 610 O LYS A 38 -2.261 10.016 6.966 1.00 0.00 O ATOM 611 CB LYS A 38 0.059 8.567 8.594 1.00 0.00 C ATOM 612 CG LYS A 38 0.587 9.071 9.938 1.00 0.00 C ATOM 613 CD LYS A 38 1.811 9.984 9.757 1.00 0.00 C ATOM 614 CE LYS A 38 1.574 11.438 10.182 1.00 0.00 C ATOM 615 NZ LYS A 38 0.526 12.152 9.417 1.00 0.00 N ATOM 0 H LYS A 38 -0.936 6.352 8.478 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.961 8.915 9.251 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.548 7.618 8.375 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.372 9.272 7.824 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.201 9.616 10.458 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.855 8.222 10.566 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.642 9.579 10.334 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.112 9.967 8.710 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.305 11.452 11.238 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.511 11.986 10.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.437 13.125 9.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.786 12.175 8.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.382 11.658 9.528 1.00 0.00 H new ATOM 629 N ALA A 39 -1.917 8.005 6.028 1.00 0.00 N ATOM 630 CA ALA A 39 -2.720 8.257 4.843 1.00 0.00 C ATOM 631 C ALA A 39 -3.783 7.163 4.762 1.00 0.00 C ATOM 632 O ALA A 39 -3.557 6.035 5.214 1.00 0.00 O ATOM 633 CB ALA A 39 -1.817 8.258 3.608 1.00 0.00 C ATOM 0 H ALA A 39 -1.368 7.147 5.986 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.209 9.230 4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.418 8.447 2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.063 9.039 3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.326 7.289 3.515 1.00 0.00 H new ATOM 639 N LYS A 40 -4.913 7.493 4.135 1.00 0.00 N ATOM 640 CA LYS A 40 -6.004 6.577 3.821 1.00 0.00 C ATOM 641 C LYS A 40 -6.126 6.543 2.307 1.00 0.00 C ATOM 642 O LYS A 40 -5.839 5.517 1.703 1.00 0.00 O ATOM 643 CB LYS A 40 -7.288 7.009 4.559 1.00 0.00 C ATOM 644 CG LYS A 40 -8.419 5.965 4.602 1.00 0.00 C ATOM 645 CD LYS A 40 -9.052 5.648 3.239 1.00 0.00 C ATOM 646 CE LYS A 40 -10.321 4.792 3.336 1.00 0.00 C ATOM 647 NZ LYS A 40 -11.469 5.540 3.889 1.00 0.00 N ATOM 0 H LYS A 40 -5.098 8.445 3.820 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.815 5.561 4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.024 7.274 5.583 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.671 7.913 4.084 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.027 5.042 5.029 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.199 6.321 5.275 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.292 6.583 2.733 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.320 5.129 2.620 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.579 4.418 2.345 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.122 3.923 3.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.321 4.944 3.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.270 5.803 4.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.626 6.401 3.327 1.00 0.00 H new ATOM 661 N ARG A 41 -6.511 7.653 1.672 1.00 0.00 N ATOM 662 CA ARG A 41 -6.540 7.794 0.220 1.00 0.00 C ATOM 663 C ARG A 41 -5.244 8.491 -0.189 1.00 0.00 C ATOM 664 O ARG A 41 -5.133 9.696 0.046 1.00 0.00 O ATOM 665 CB ARG A 41 -7.776 8.584 -0.283 1.00 0.00 C ATOM 666 CG ARG A 41 -8.839 8.978 0.759 1.00 0.00 C ATOM 667 CD ARG A 41 -9.791 10.046 0.216 1.00 0.00 C ATOM 668 NE ARG A 41 -9.134 11.362 0.131 1.00 0.00 N ATOM 669 CZ ARG A 41 -9.731 12.534 -0.094 1.00 0.00 C ATOM 670 NH1 ARG A 41 -11.029 12.599 -0.371 1.00 0.00 N ATOM 671 NH2 ARG A 41 -9.001 13.638 -0.028 1.00 0.00 N ATOM 0 H ARG A 41 -6.816 8.492 2.165 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.621 6.808 -0.237 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -7.420 9.496 -0.762 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.265 7.989 -1.054 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -9.409 8.096 1.050 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.348 9.351 1.658 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.146 9.751 -0.772 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.667 10.116 0.861 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.122 11.379 0.257 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.585 11.745 -0.414 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.470 13.503 -0.540 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.006 13.579 0.191 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.434 14.546 -0.196 1.00 0.00 H new ATOM 685 N PRO A 42 -4.233 7.790 -0.715 1.00 0.00 N ATOM 686 CA PRO A 42 -3.107 8.448 -1.352 1.00 0.00 C ATOM 687 C PRO A 42 -3.495 8.895 -2.769 1.00 0.00 C ATOM 688 O PRO A 42 -4.375 8.301 -3.400 1.00 0.00 O ATOM 689 CB PRO A 42 -2.020 7.377 -1.388 1.00 0.00 C ATOM 690 CG PRO A 42 -2.794 6.066 -1.513 1.00 0.00 C ATOM 691 CD PRO A 42 -4.087 6.346 -0.753 1.00 0.00 C ATOM 0 HA PRO A 42 -2.779 9.344 -0.826 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.344 7.523 -2.231 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.411 7.396 -0.484 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.987 5.811 -2.555 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.244 5.232 -1.077 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.939 5.882 -1.251 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.043 5.933 0.255 1.00 0.00 H new ATOM 699 N ARG A 43 -2.751 9.848 -3.339 1.00 0.00 N ATOM 700 CA ARG A 43 -2.869 10.253 -4.746 1.00 0.00 C ATOM 701 C ARG A 43 -2.591 9.105 -5.707 1.00 0.00 C ATOM 702 O ARG A 43 -3.012 9.147 -6.859 1.00 0.00 O ATOM 703 CB ARG A 43 -1.948 11.458 -5.042 1.00 0.00 C ATOM 704 CG ARG A 43 -0.432 11.153 -5.007 1.00 0.00 C ATOM 705 CD ARG A 43 0.190 10.743 -6.357 1.00 0.00 C ATOM 706 NE ARG A 43 0.314 11.890 -7.267 1.00 0.00 N ATOM 707 CZ ARG A 43 0.818 11.886 -8.506 1.00 0.00 C ATOM 708 NH1 ARG A 43 1.146 10.753 -9.118 1.00 0.00 N ATOM 709 NH2 ARG A 43 1.009 13.038 -9.130 1.00 0.00 N ATOM 0 H ARG A 43 -2.038 10.369 -2.829 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.904 10.554 -4.909 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.200 11.854 -6.026 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.161 12.244 -4.318 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.091 12.035 -4.638 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.256 10.354 -4.287 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.174 10.305 -6.187 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.425 9.973 -6.823 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.021 12.787 -6.916 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.015 9.860 -8.643 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.529 10.776 -10.063 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.772 13.915 -8.666 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.393 13.049 -10.075 1.00 0.00 H new ATOM 723 N PHE A 44 -1.846 8.101 -5.256 1.00 0.00 N ATOM 724 CA PHE A 44 -1.333 7.015 -6.068 1.00 0.00 C ATOM 725 C PHE A 44 -2.123 5.724 -5.797 1.00 0.00 C ATOM 726 O PHE A 44 -1.631 4.643 -6.081 1.00 0.00 O ATOM 727 CB PHE A 44 0.190 6.915 -5.827 1.00 0.00 C ATOM 728 CG PHE A 44 0.601 6.564 -4.411 1.00 0.00 C ATOM 729 CD1 PHE A 44 0.652 5.215 -4.033 1.00 0.00 C ATOM 730 CD2 PHE A 44 0.945 7.559 -3.474 1.00 0.00 C ATOM 731 CE1 PHE A 44 0.913 4.861 -2.700 1.00 0.00 C ATOM 732 CE2 PHE A 44 1.231 7.204 -2.142 1.00 0.00 C ATOM 733 CZ PHE A 44 1.168 5.855 -1.748 1.00 0.00 C ATOM 0 H PHE A 44 -1.575 8.023 -4.276 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.474 7.200 -7.133 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.599 6.164 -6.503 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.647 7.868 -6.094 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.490 4.444 -4.771 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.989 8.594 -3.778 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.917 3.821 -2.409 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.498 7.966 -1.424 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.316 5.587 -0.712 1.00 0.00 H new ATOM 743 N LEU A 45 -3.334 5.774 -5.230 1.00 0.00 N ATOM 744 CA LEU A 45 -4.101 4.602 -4.821 1.00 0.00 C ATOM 745 C LEU A 45 -4.260 3.527 -5.906 1.00 0.00 C ATOM 746 O LEU A 45 -3.955 2.376 -5.591 1.00 0.00 O ATOM 747 CB LEU A 45 -5.431 5.099 -4.231 1.00 0.00 C ATOM 748 CG LEU A 45 -6.347 3.999 -3.690 1.00 0.00 C ATOM 749 CD1 LEU A 45 -5.712 3.157 -2.578 1.00 0.00 C ATOM 750 CD2 LEU A 45 -7.635 4.637 -3.155 1.00 0.00 C ATOM 0 H LEU A 45 -3.815 6.653 -5.040 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.540 4.062 -4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.215 5.800 -3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.968 5.653 -5.000 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.547 3.324 -4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.421 2.399 -2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.813 2.671 -2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.450 3.801 -1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.293 3.859 -2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.390 5.336 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.139 5.170 -3.961 1.00 0.00 H new ATOM 762 N PRO A 46 -4.671 3.818 -7.155 1.00 0.00 N ATOM 763 CA PRO A 46 -4.748 2.776 -8.173 1.00 0.00 C ATOM 764 C PRO A 46 -3.371 2.301 -8.642 1.00 0.00 C ATOM 765 O PRO A 46 -3.239 1.145 -9.035 1.00 0.00 O ATOM 766 CB PRO A 46 -5.582 3.370 -9.305 1.00 0.00 C ATOM 767 CG PRO A 46 -5.312 4.866 -9.192 1.00 0.00 C ATOM 768 CD PRO A 46 -5.179 5.077 -7.684 1.00 0.00 C ATOM 0 HA PRO A 46 -5.210 1.873 -7.774 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.279 2.979 -10.276 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.641 3.142 -9.186 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.404 5.154 -9.722 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.126 5.456 -9.612 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.498 5.899 -7.462 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.141 5.330 -7.237 1.00 0.00 H new ATOM 776 N GLU A 47 -2.335 3.139 -8.554 1.00 0.00 N ATOM 777 CA GLU A 47 -0.971 2.751 -8.861 1.00 0.00 C ATOM 778 C GLU A 47 -0.502 1.750 -7.813 1.00 0.00 C ATOM 779 O GLU A 47 0.045 0.709 -8.159 1.00 0.00 O ATOM 780 CB GLU A 47 -0.052 3.980 -8.852 1.00 0.00 C ATOM 781 CG GLU A 47 -0.367 5.049 -9.908 1.00 0.00 C ATOM 782 CD GLU A 47 -0.107 4.613 -11.351 1.00 0.00 C ATOM 783 OE1 GLU A 47 0.416 3.499 -11.589 1.00 0.00 O ATOM 784 OE2 GLU A 47 -0.403 5.410 -12.273 1.00 0.00 O ATOM 0 H GLU A 47 -2.428 4.113 -8.264 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.934 2.301 -9.853 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.102 4.442 -7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.975 3.645 -8.995 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.414 5.338 -9.812 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.230 5.937 -9.697 1.00 0.00 H new ATOM 791 N LEU A 48 -0.747 2.042 -6.531 1.00 0.00 N ATOM 792 CA LEU A 48 -0.447 1.164 -5.422 1.00 0.00 C ATOM 793 C LEU A 48 -1.190 -0.130 -5.640 1.00 0.00 C ATOM 794 O LEU A 48 -0.566 -1.172 -5.569 1.00 0.00 O ATOM 795 CB LEU A 48 -0.845 1.796 -4.097 1.00 0.00 C ATOM 796 CG LEU A 48 -0.146 1.232 -2.838 1.00 0.00 C ATOM 797 CD1 LEU A 48 -0.956 1.632 -1.608 1.00 0.00 C ATOM 798 CD2 LEU A 48 0.084 -0.275 -2.743 1.00 0.00 C ATOM 0 H LEU A 48 -1.171 2.923 -6.241 1.00 0.00 H new ATOM 0 HA LEU A 48 0.626 0.980 -5.377 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.642 2.866 -4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.922 1.682 -3.972 1.00 0.00 H new ATOM 0 HG LEU A 48 0.853 1.664 -2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.474 1.241 -0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.010 2.719 -1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.963 1.223 -1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.583 -0.508 -1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.874 -0.793 -2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.707 -0.601 -3.575 1.00 0.00 H new ATOM 810 N ALA A 49 -2.497 -0.087 -5.900 1.00 0.00 N ATOM 811 CA ALA A 49 -3.255 -1.323 -6.046 1.00 0.00 C ATOM 812 C ALA A 49 -2.736 -2.176 -7.200 1.00 0.00 C ATOM 813 O ALA A 49 -2.479 -3.365 -7.000 1.00 0.00 O ATOM 814 CB ALA A 49 -4.745 -1.019 -6.220 1.00 0.00 C ATOM 0 H ALA A 49 -3.040 0.770 -6.011 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.121 -1.902 -5.132 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.297 -1.953 -6.328 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.111 -0.480 -5.346 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.890 -0.407 -7.110 1.00 0.00 H new ATOM 820 N ARG A 50 -2.535 -1.594 -8.385 1.00 0.00 N ATOM 821 CA ARG A 50 -2.044 -2.344 -9.535 1.00 0.00 C ATOM 822 C ARG A 50 -0.636 -2.878 -9.270 1.00 0.00 C ATOM 823 O ARG A 50 -0.372 -4.047 -9.579 1.00 0.00 O ATOM 824 CB ARG A 50 -2.097 -1.454 -10.784 1.00 0.00 C ATOM 825 CG ARG A 50 -2.031 -2.294 -12.067 1.00 0.00 C ATOM 826 CD ARG A 50 -1.909 -1.396 -13.304 1.00 0.00 C ATOM 827 NE ARG A 50 -0.579 -0.774 -13.381 1.00 0.00 N ATOM 828 CZ ARG A 50 0.565 -1.350 -13.771 1.00 0.00 C ATOM 829 NH1 ARG A 50 0.583 -2.579 -14.273 1.00 0.00 N ATOM 830 NH2 ARG A 50 1.708 -0.694 -13.653 1.00 0.00 N ATOM 0 H ARG A 50 -2.706 -0.605 -8.569 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.683 -3.210 -9.707 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.016 -0.867 -10.777 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.267 -0.747 -10.766 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.179 -2.972 -12.019 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.925 -2.912 -12.148 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.091 -1.985 -14.203 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.674 -0.621 -13.271 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.521 0.207 -13.106 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.286 -3.104 -14.368 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.466 -2.998 -14.564 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.717 0.249 -13.265 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.580 -1.132 -13.950 1.00 0.00 H new ATOM 844 N ALA A 51 0.242 -2.063 -8.673 1.00 0.00 N ATOM 845 CA ALA A 51 1.587 -2.455 -8.282 1.00 0.00 C ATOM 846 C ALA A 51 1.512 -3.594 -7.273 1.00 0.00 C ATOM 847 O ALA A 51 2.225 -4.586 -7.435 1.00 0.00 O ATOM 848 CB ALA A 51 2.372 -1.271 -7.689 1.00 0.00 C ATOM 0 H ALA A 51 0.025 -1.092 -8.447 1.00 0.00 H new ATOM 0 HA ALA A 51 2.118 -2.788 -9.174 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.372 -1.602 -7.408 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.447 -0.476 -8.431 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.853 -0.896 -6.807 1.00 0.00 H new ATOM 854 N LEU A 52 0.683 -3.471 -6.229 1.00 0.00 N ATOM 855 CA LEU A 52 0.520 -4.493 -5.210 1.00 0.00 C ATOM 856 C LEU A 52 0.079 -5.775 -5.887 1.00 0.00 C ATOM 857 O LEU A 52 0.694 -6.811 -5.676 1.00 0.00 O ATOM 858 CB LEU A 52 -0.484 -4.030 -4.151 1.00 0.00 C ATOM 859 CG LEU A 52 -0.359 -4.707 -2.786 1.00 0.00 C ATOM 860 CD1 LEU A 52 1.063 -4.636 -2.198 1.00 0.00 C ATOM 861 CD2 LEU A 52 -1.304 -3.978 -1.831 1.00 0.00 C ATOM 0 H LEU A 52 0.104 -2.646 -6.074 1.00 0.00 H new ATOM 0 HA LEU A 52 1.463 -4.674 -4.694 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.372 -2.954 -4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.491 -4.201 -4.531 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.603 -5.762 -2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.081 -5.135 -1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.761 -5.130 -2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.354 -3.593 -2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.244 -4.433 -0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.017 -2.929 -1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.326 -4.052 -2.203 1.00 0.00 H new ATOM 873 N GLY A 53 -0.921 -5.682 -6.757 1.00 0.00 N ATOM 874 CA GLY A 53 -1.564 -6.785 -7.438 1.00 0.00 C ATOM 875 C GLY A 53 -2.869 -7.113 -6.732 1.00 0.00 C ATOM 876 O GLY A 53 -3.054 -8.256 -6.309 1.00 0.00 O ATOM 0 H GLY A 53 -1.323 -4.781 -7.016 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.755 -6.524 -8.479 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.910 -7.657 -7.443 1.00 0.00 H new ATOM 880 N VAL A 54 -3.708 -6.097 -6.522 1.00 0.00 N ATOM 881 CA VAL A 54 -5.065 -6.175 -5.984 1.00 0.00 C ATOM 882 C VAL A 54 -5.896 -5.069 -6.668 1.00 0.00 C ATOM 883 O VAL A 54 -5.347 -4.269 -7.437 1.00 0.00 O ATOM 884 CB VAL A 54 -5.074 -6.058 -4.435 1.00 0.00 C ATOM 885 CG1 VAL A 54 -4.197 -7.101 -3.724 1.00 0.00 C ATOM 886 CG2 VAL A 54 -4.645 -4.669 -3.955 1.00 0.00 C ATOM 0 H VAL A 54 -3.439 -5.137 -6.737 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.507 -7.148 -6.198 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.114 -6.244 -4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.257 -6.953 -2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.549 -8.102 -3.973 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.163 -6.989 -4.049 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.668 -4.637 -2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.633 -4.460 -4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.328 -3.919 -4.354 1.00 0.00 H new ATOM 896 N ALA A 55 -7.202 -4.992 -6.400 1.00 0.00 N ATOM 897 CA ALA A 55 -8.030 -3.851 -6.786 1.00 0.00 C ATOM 898 C ALA A 55 -7.934 -2.732 -5.737 1.00 0.00 C ATOM 899 O ALA A 55 -7.713 -2.998 -4.555 1.00 0.00 O ATOM 900 CB ALA A 55 -9.486 -4.311 -6.921 1.00 0.00 C ATOM 0 H ALA A 55 -7.715 -5.723 -5.907 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.674 -3.460 -7.739 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.110 -3.465 -7.209 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.553 -5.087 -7.683 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.832 -4.709 -5.967 1.00 0.00 H new ATOM 906 N VAL A 56 -8.222 -1.487 -6.119 1.00 0.00 N ATOM 907 CA VAL A 56 -8.502 -0.395 -5.187 1.00 0.00 C ATOM 908 C VAL A 56 -9.680 -0.775 -4.292 1.00 0.00 C ATOM 909 O VAL A 56 -9.673 -0.425 -3.119 1.00 0.00 O ATOM 910 CB VAL A 56 -8.789 0.880 -6.003 1.00 0.00 C ATOM 911 CG1 VAL A 56 -9.333 2.021 -5.141 1.00 0.00 C ATOM 912 CG2 VAL A 56 -7.505 1.372 -6.682 1.00 0.00 C ATOM 0 H VAL A 56 -8.268 -1.205 -7.098 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.646 -0.208 -4.538 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.546 0.609 -6.739 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.517 2.894 -5.767 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.265 1.709 -4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.605 2.274 -4.371 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.719 2.273 -7.256 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.755 1.595 -5.923 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.127 0.598 -7.350 1.00 0.00 H new ATOM 922 N ASP A 57 -10.664 -1.515 -4.804 1.00 0.00 N ATOM 923 CA ASP A 57 -11.759 -2.042 -3.986 1.00 0.00 C ATOM 924 C ASP A 57 -11.274 -2.974 -2.885 1.00 0.00 C ATOM 925 O ASP A 57 -11.777 -2.892 -1.771 1.00 0.00 O ATOM 926 CB ASP A 57 -12.750 -2.792 -4.869 1.00 0.00 C ATOM 927 CG ASP A 57 -14.078 -3.096 -4.186 1.00 0.00 C ATOM 928 OD1 ASP A 57 -14.771 -2.154 -3.747 1.00 0.00 O ATOM 929 OD2 ASP A 57 -14.478 -4.278 -4.167 1.00 0.00 O ATOM 0 H ASP A 57 -10.726 -1.765 -5.791 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.237 -1.186 -3.510 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.940 -2.203 -5.766 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.296 -3.729 -5.193 1.00 0.00 H new ATOM 934 N TRP A 58 -10.272 -3.815 -3.154 1.00 0.00 N ATOM 935 CA TRP A 58 -9.644 -4.616 -2.109 1.00 0.00 C ATOM 936 C TRP A 58 -8.913 -3.710 -1.132 1.00 0.00 C ATOM 937 O TRP A 58 -8.995 -3.907 0.074 1.00 0.00 O ATOM 938 CB TRP A 58 -8.648 -5.624 -2.678 1.00 0.00 C ATOM 939 CG TRP A 58 -8.051 -6.528 -1.643 1.00 0.00 C ATOM 940 CD1 TRP A 58 -8.616 -7.671 -1.219 1.00 0.00 C ATOM 941 CD2 TRP A 58 -6.821 -6.397 -0.872 1.00 0.00 C ATOM 942 NE1 TRP A 58 -7.844 -8.262 -0.243 1.00 0.00 N ATOM 943 CE2 TRP A 58 -6.698 -7.534 -0.022 1.00 0.00 C ATOM 944 CE3 TRP A 58 -5.795 -5.435 -0.805 1.00 0.00 C ATOM 945 CZ2 TRP A 58 -5.588 -7.727 0.807 1.00 0.00 C ATOM 946 CZ3 TRP A 58 -4.662 -5.626 0.011 1.00 0.00 C ATOM 947 CH2 TRP A 58 -4.556 -6.777 0.813 1.00 0.00 C ATOM 0 H TRP A 58 -9.881 -3.956 -4.086 1.00 0.00 H new ATOM 0 HA TRP A 58 -10.439 -5.165 -1.604 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -9.149 -6.231 -3.433 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -7.847 -5.085 -3.183 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -9.547 -8.071 -1.592 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -8.089 -9.122 0.248 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -5.878 -4.532 -1.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.526 -8.601 1.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -3.874 -4.888 0.021 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -3.683 -6.929 1.431 1.00 0.00 H new ATOM 958 N LEU A 59 -8.179 -2.718 -1.634 1.00 0.00 N ATOM 959 CA LEU A 59 -7.482 -1.784 -0.769 1.00 0.00 C ATOM 960 C LEU A 59 -8.470 -1.095 0.170 1.00 0.00 C ATOM 961 O LEU A 59 -8.260 -1.133 1.380 1.00 0.00 O ATOM 962 CB LEU A 59 -6.624 -0.817 -1.589 1.00 0.00 C ATOM 963 CG LEU A 59 -5.157 -1.265 -1.755 1.00 0.00 C ATOM 964 CD1 LEU A 59 -4.380 -0.130 -2.422 1.00 0.00 C ATOM 965 CD2 LEU A 59 -4.416 -1.599 -0.446 1.00 0.00 C ATOM 0 H LEU A 59 -8.055 -2.546 -2.632 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.783 -2.326 -0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.071 -0.699 -2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.642 0.163 -1.112 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.200 -2.183 -2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.339 -0.427 -2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.817 0.086 -3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.429 0.761 -1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.394 -1.902 -0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.399 -0.719 0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.930 -2.412 0.066 1.00 0.00 H new ATOM 977 N LEU A 60 -9.557 -0.530 -0.353 1.00 0.00 N ATOM 978 CA LEU A 60 -10.573 0.147 0.436 1.00 0.00 C ATOM 979 C LEU A 60 -11.256 -0.839 1.377 1.00 0.00 C ATOM 980 O LEU A 60 -11.249 -0.637 2.589 1.00 0.00 O ATOM 981 CB LEU A 60 -11.603 0.809 -0.496 1.00 0.00 C ATOM 982 CG LEU A 60 -11.089 2.083 -1.198 1.00 0.00 C ATOM 983 CD1 LEU A 60 -12.101 2.526 -2.260 1.00 0.00 C ATOM 984 CD2 LEU A 60 -10.848 3.242 -0.218 1.00 0.00 C ATOM 0 H LEU A 60 -9.755 -0.532 -1.354 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.098 0.921 1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.908 0.087 -1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.492 1.059 0.082 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.131 1.834 -1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.738 3.426 -2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.227 1.732 -2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.059 2.735 -1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.487 4.113 -0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.781 3.492 0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.104 2.945 0.521 1.00 0.00 H new ATOM 996 N ASN A 61 -11.859 -1.889 0.824 1.00 0.00 N ATOM 997 CA ASN A 61 -12.852 -2.704 1.512 1.00 0.00 C ATOM 998 C ASN A 61 -12.267 -3.974 2.103 1.00 0.00 C ATOM 999 O ASN A 61 -12.629 -4.303 3.229 1.00 0.00 O ATOM 1000 CB ASN A 61 -14.012 -3.044 0.576 1.00 0.00 C ATOM 1001 CG ASN A 61 -14.711 -1.771 0.140 1.00 0.00 C ATOM 1002 OD1 ASN A 61 -15.359 -1.116 0.951 1.00 0.00 O ATOM 1003 ND2 ASN A 61 -14.541 -1.340 -1.098 1.00 0.00 N ATOM 0 H ASN A 61 -11.667 -2.200 -0.128 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.221 -2.105 2.345 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.642 -3.583 -0.296 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.718 -3.703 1.082 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.951 -0.453 -1.390 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.000 -1.895 -1.761 1.00 0.00 H new ATOM 1010 N GLY A 62 -11.355 -4.651 1.400 1.00 0.00 N ATOM 1011 CA GLY A 62 -10.589 -5.767 1.943 1.00 0.00 C ATOM 1012 C GLY A 62 -11.271 -7.120 1.826 1.00 0.00 C ATOM 1013 O GLY A 62 -11.097 -7.954 2.717 1.00 0.00 O ATOM 0 H GLY A 62 -11.128 -4.435 0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.628 -5.814 1.431 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.381 -5.570 2.995 1.00 0.00 H new ATOM 1017 N ALA A 63 -11.993 -7.366 0.733 1.00 0.00 N ATOM 1018 CA ALA A 63 -12.908 -8.494 0.564 1.00 0.00 C ATOM 1019 C ALA A 63 -13.932 -8.556 1.701 1.00 0.00 C ATOM 1020 O ALA A 63 -14.293 -7.522 2.274 1.00 0.00 O ATOM 1021 CB ALA A 63 -12.145 -9.816 0.420 1.00 0.00 C ATOM 0 H ALA A 63 -11.955 -6.763 -0.089 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.459 -8.335 -0.363 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -12.855 -10.634 0.296 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.493 -9.766 -0.452 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.545 -9.989 1.313 1.00 0.00 H new