USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=4 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 164:sc= 0 (180deg=-0.131) USER MOD Single : A 12 GLN : amide:sc= -1.15 K(o=-1.2,f=-0.35) USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 17 GLN : amide:sc= 0.544 K(o=0.54,f=-3.1) USER MOD Single : A 22 GLN : amide:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 175:sc= 0.474 (180deg=0.297) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.843 X(o=-0.84,f=-0.51) USER MOD Single : A 36 ASN : amide:sc= -1.11 K(o=-1.1,f=-4!) USER MOD Single : A 38 LYS NZ :NH3+ 160:sc= -0.0327 (180deg=-0.306) USER MOD Single : A 40 LYS NZ :NH3+ 162:sc= -0.0529 (180deg=-0.382) USER MOD Single : A 61 ASN : amide:sc= 0.749 K(o=0.75,f=-0.079) USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 2 -6.316 -0.732 6.547 1.00 0.00 N ATOM 38 CA MET A 2 -5.488 -0.728 5.353 1.00 0.00 C ATOM 39 C MET A 2 -4.032 -0.839 5.759 1.00 0.00 C ATOM 40 O MET A 2 -3.331 -1.650 5.188 1.00 0.00 O ATOM 41 CB MET A 2 -5.714 0.559 4.552 1.00 0.00 C ATOM 42 CG MET A 2 -6.793 0.349 3.495 1.00 0.00 C ATOM 43 SD MET A 2 -7.671 1.837 2.953 1.00 0.00 S ATOM 44 CE MET A 2 -6.329 2.740 2.149 1.00 0.00 C ATOM 0 HA MET A 2 -5.758 -1.576 4.724 1.00 0.00 H new ATOM 0 HB2 MET A 2 -6.007 1.366 5.224 1.00 0.00 H new ATOM 0 HB3 MET A 2 -4.783 0.865 4.074 1.00 0.00 H new ATOM 0 HG2 MET A 2 -6.334 -0.116 2.623 1.00 0.00 H new ATOM 0 HG3 MET A 2 -7.524 -0.359 3.886 1.00 0.00 H new ATOM 0 HE1 MET A 2 -6.745 3.529 1.523 1.00 0.00 H new ATOM 0 HE2 MET A 2 -5.682 3.182 2.907 1.00 0.00 H new ATOM 0 HE3 MET A 2 -5.748 2.055 1.531 1.00 0.00 H new ATOM 54 N GLY A 3 -3.534 0.015 6.643 1.00 0.00 N ATOM 55 CA GLY A 3 -2.156 -0.059 7.111 1.00 0.00 C ATOM 56 C GLY A 3 -1.672 -1.482 7.419 1.00 0.00 C ATOM 57 O GLY A 3 -0.658 -1.921 6.869 1.00 0.00 O ATOM 0 H GLY A 3 -4.072 0.777 7.055 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.504 0.379 6.356 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.056 0.549 8.010 1.00 0.00 H new ATOM 61 N GLU A 4 -2.430 -2.229 8.222 1.00 0.00 N ATOM 62 CA GLU A 4 -2.151 -3.636 8.507 1.00 0.00 C ATOM 63 C GLU A 4 -2.213 -4.464 7.226 1.00 0.00 C ATOM 64 O GLU A 4 -1.299 -5.240 6.956 1.00 0.00 O ATOM 65 CB GLU A 4 -3.184 -4.184 9.498 1.00 0.00 C ATOM 66 CG GLU A 4 -3.102 -3.601 10.909 1.00 0.00 C ATOM 67 CD GLU A 4 -4.360 -3.966 11.699 1.00 0.00 C ATOM 68 OE1 GLU A 4 -4.449 -5.092 12.252 1.00 0.00 O ATOM 69 OE2 GLU A 4 -5.291 -3.132 11.739 1.00 0.00 O ATOM 0 H GLU A 4 -3.260 -1.872 8.696 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.151 -3.705 8.935 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.181 -3.995 9.101 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.066 -5.266 9.561 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.218 -3.984 11.419 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.996 -2.517 10.858 1.00 0.00 H new ATOM 76 N ARG A 5 -3.272 -4.292 6.430 1.00 0.00 N ATOM 77 CA ARG A 5 -3.502 -4.988 5.164 1.00 0.00 C ATOM 78 C ARG A 5 -2.327 -4.812 4.199 1.00 0.00 C ATOM 79 O ARG A 5 -1.895 -5.750 3.533 1.00 0.00 O ATOM 80 CB ARG A 5 -4.866 -4.527 4.594 1.00 0.00 C ATOM 81 CG ARG A 5 -4.899 -3.694 3.297 1.00 0.00 C ATOM 82 CD ARG A 5 -6.332 -3.416 2.828 1.00 0.00 C ATOM 83 NE ARG A 5 -7.009 -4.673 2.540 1.00 0.00 N ATOM 84 CZ ARG A 5 -7.883 -5.294 3.341 1.00 0.00 C ATOM 85 NH1 ARG A 5 -8.581 -4.602 4.239 1.00 0.00 N ATOM 86 NH2 ARG A 5 -8.038 -6.608 3.240 1.00 0.00 N ATOM 0 H ARG A 5 -4.021 -3.639 6.660 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.555 -6.065 5.325 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.469 -5.419 4.426 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.366 -3.946 5.369 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -4.381 -2.749 3.460 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -4.357 -4.223 2.513 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.876 -2.867 3.597 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -6.318 -2.788 1.937 1.00 0.00 H new ATOM 0 HE ARG A 5 -6.798 -5.120 1.648 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -8.451 -3.593 4.319 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.246 -5.080 4.847 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -7.494 -7.135 2.557 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -8.701 -7.091 3.846 1.00 0.00 H new ATOM 100 N ILE A 6 -1.804 -3.597 4.115 1.00 0.00 N ATOM 101 CA ILE A 6 -0.678 -3.190 3.302 1.00 0.00 C ATOM 102 C ILE A 6 0.540 -3.940 3.795 1.00 0.00 C ATOM 103 O ILE A 6 1.233 -4.534 2.970 1.00 0.00 O ATOM 104 CB ILE A 6 -0.539 -1.653 3.378 1.00 0.00 C ATOM 105 CG1 ILE A 6 -1.604 -1.052 2.429 1.00 0.00 C ATOM 106 CG2 ILE A 6 0.874 -1.127 3.051 1.00 0.00 C ATOM 107 CD1 ILE A 6 -1.841 0.444 2.624 1.00 0.00 C ATOM 0 H ILE A 6 -2.186 -2.819 4.653 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.810 -3.435 2.248 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.702 -1.340 4.409 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.297 -1.229 1.398 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.546 -1.580 2.577 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.884 -0.040 3.128 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.591 -1.547 3.756 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.147 -1.422 2.038 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.601 0.787 1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.180 0.629 3.643 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.912 0.986 2.447 1.00 0.00 H new ATOM 119 N ARG A 7 0.812 -3.927 5.108 1.00 0.00 N ATOM 120 CA ARG A 7 1.936 -4.700 5.618 1.00 0.00 C ATOM 121 C ARG A 7 1.755 -6.176 5.262 1.00 0.00 C ATOM 122 O ARG A 7 2.684 -6.777 4.732 1.00 0.00 O ATOM 123 CB ARG A 7 2.114 -4.503 7.131 1.00 0.00 C ATOM 124 CG ARG A 7 3.513 -5.006 7.532 1.00 0.00 C ATOM 125 CD ARG A 7 3.844 -4.855 9.021 1.00 0.00 C ATOM 126 NE ARG A 7 3.611 -6.114 9.745 1.00 0.00 N ATOM 127 CZ ARG A 7 2.511 -6.466 10.415 1.00 0.00 C ATOM 128 NH1 ARG A 7 1.507 -5.619 10.571 1.00 0.00 N ATOM 129 NH2 ARG A 7 2.437 -7.687 10.919 1.00 0.00 N ATOM 0 H ARG A 7 0.285 -3.407 5.809 1.00 0.00 H new ATOM 0 HA ARG A 7 2.849 -4.339 5.144 1.00 0.00 H new ATOM 0 HB2 ARG A 7 2.002 -3.450 7.391 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.345 -5.050 7.677 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.598 -6.058 7.259 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.260 -4.465 6.951 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.885 -4.553 9.137 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.232 -4.064 9.454 1.00 0.00 H new ATOM 0 HE ARG A 7 4.373 -6.792 9.734 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.566 -4.680 10.176 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.674 -5.905 11.086 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.211 -8.339 10.792 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.606 -7.976 11.434 1.00 0.00 H new ATOM 143 N ALA A 8 0.558 -6.724 5.469 1.00 0.00 N ATOM 144 CA ALA A 8 0.257 -8.133 5.274 1.00 0.00 C ATOM 145 C ALA A 8 0.572 -8.522 3.842 1.00 0.00 C ATOM 146 O ALA A 8 1.384 -9.411 3.610 1.00 0.00 O ATOM 147 CB ALA A 8 -1.211 -8.451 5.596 1.00 0.00 C ATOM 0 H ALA A 8 -0.247 -6.182 5.785 1.00 0.00 H new ATOM 0 HA ALA A 8 0.876 -8.711 5.960 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.396 -9.513 5.438 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.419 -8.197 6.635 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.861 -7.868 4.943 1.00 0.00 H new ATOM 153 N ARG A 9 -0.064 -7.869 2.871 1.00 0.00 N ATOM 154 CA ARG A 9 0.068 -8.227 1.469 1.00 0.00 C ATOM 155 C ARG A 9 1.471 -7.897 0.944 1.00 0.00 C ATOM 156 O ARG A 9 1.986 -8.661 0.131 1.00 0.00 O ATOM 157 CB ARG A 9 -1.096 -7.580 0.703 1.00 0.00 C ATOM 158 CG ARG A 9 -0.996 -7.657 -0.817 1.00 0.00 C ATOM 159 CD ARG A 9 -0.946 -9.059 -1.431 1.00 0.00 C ATOM 160 NE ARG A 9 -0.309 -9.010 -2.764 1.00 0.00 N ATOM 161 CZ ARG A 9 0.380 -10.011 -3.330 1.00 0.00 C ATOM 162 NH1 ARG A 9 0.471 -11.206 -2.759 1.00 0.00 N ATOM 163 NH2 ARG A 9 0.988 -9.804 -4.487 1.00 0.00 N ATOM 0 H ARG A 9 -0.685 -7.077 3.039 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.013 -9.303 1.318 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.025 -8.058 1.015 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.163 -6.532 0.994 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.850 -7.129 -1.242 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.101 -7.117 -1.127 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.388 -9.730 -0.778 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.955 -9.463 -1.517 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.401 -8.145 -3.296 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.010 -11.381 -1.866 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.002 -11.949 -3.213 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.929 -8.891 -4.938 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.515 -10.558 -4.928 1.00 0.00 H new ATOM 177 N ARG A 10 2.127 -6.821 1.404 1.00 0.00 N ATOM 178 CA ARG A 10 3.541 -6.566 1.107 1.00 0.00 C ATOM 179 C ARG A 10 4.401 -7.756 1.499 1.00 0.00 C ATOM 180 O ARG A 10 5.134 -8.286 0.671 1.00 0.00 O ATOM 181 CB ARG A 10 4.026 -5.327 1.865 1.00 0.00 C ATOM 182 CG ARG A 10 5.486 -4.971 1.537 1.00 0.00 C ATOM 183 CD ARG A 10 5.740 -3.462 1.603 1.00 0.00 C ATOM 184 NE ARG A 10 5.026 -2.806 2.694 1.00 0.00 N ATOM 185 CZ ARG A 10 5.220 -2.991 3.995 1.00 0.00 C ATOM 186 NH1 ARG A 10 6.210 -3.747 4.469 1.00 0.00 N ATOM 187 NH2 ARG A 10 4.371 -2.387 4.799 1.00 0.00 N ATOM 0 H ARG A 10 1.693 -6.107 1.989 1.00 0.00 H new ATOM 0 HA ARG A 10 3.632 -6.400 0.034 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.385 -4.480 1.619 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.929 -5.500 2.937 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.149 -5.481 2.236 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.733 -5.336 0.540 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.809 -3.285 1.719 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.442 -3.008 0.658 1.00 0.00 H new ATOM 0 HE ARG A 10 4.303 -2.136 2.430 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.852 -4.209 3.825 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.325 -3.864 5.476 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.619 -1.817 4.412 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.465 -2.489 5.810 1.00 0.00 H new ATOM 201 N ILE A 11 4.335 -8.136 2.768 1.00 0.00 N ATOM 202 CA ILE A 11 5.119 -9.232 3.321 1.00 0.00 C ATOM 203 C ILE A 11 4.719 -10.558 2.664 1.00 0.00 C ATOM 204 O ILE A 11 5.581 -11.395 2.415 1.00 0.00 O ATOM 205 CB ILE A 11 4.997 -9.218 4.858 1.00 0.00 C ATOM 206 CG1 ILE A 11 5.639 -7.945 5.475 1.00 0.00 C ATOM 207 CG2 ILE A 11 5.620 -10.462 5.508 1.00 0.00 C ATOM 208 CD1 ILE A 11 7.103 -7.689 5.090 1.00 0.00 C ATOM 0 H ILE A 11 3.727 -7.685 3.452 1.00 0.00 H new ATOM 0 HA ILE A 11 6.178 -9.107 3.094 1.00 0.00 H new ATOM 0 HB ILE A 11 3.927 -9.218 5.068 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.047 -7.080 5.177 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.574 -8.017 6.561 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.507 -10.402 6.590 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.117 -11.356 5.140 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.679 -10.512 5.256 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.452 -6.777 5.574 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.717 -8.530 5.414 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.181 -7.578 4.008 1.00 0.00 H new ATOM 220 N GLN A 12 3.451 -10.742 2.300 1.00 0.00 N ATOM 221 CA GLN A 12 3.001 -11.900 1.531 1.00 0.00 C ATOM 222 C GLN A 12 3.666 -12.005 0.156 1.00 0.00 C ATOM 223 O GLN A 12 3.996 -13.109 -0.276 1.00 0.00 O ATOM 224 CB GLN A 12 1.472 -11.849 1.392 1.00 0.00 C ATOM 225 CG GLN A 12 0.847 -13.220 1.128 1.00 0.00 C ATOM 226 CD GLN A 12 0.232 -13.280 -0.267 1.00 0.00 C ATOM 227 OE1 GLN A 12 0.850 -13.744 -1.218 1.00 0.00 O ATOM 228 NE2 GLN A 12 -0.959 -12.736 -0.452 1.00 0.00 N ATOM 0 H GLN A 12 2.703 -10.088 2.532 1.00 0.00 H new ATOM 0 HA GLN A 12 3.300 -12.795 2.077 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.044 -11.431 2.303 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.210 -11.174 0.577 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.606 -13.995 1.228 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.081 -13.425 1.876 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.472 -12.350 0.341 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.365 -12.702 -1.387 1.00 0.00 H new ATOM 237 N LEU A 13 3.913 -10.868 -0.497 1.00 0.00 N ATOM 238 CA LEU A 13 4.728 -10.746 -1.708 1.00 0.00 C ATOM 239 C LEU A 13 6.232 -10.836 -1.370 1.00 0.00 C ATOM 240 O LEU A 13 7.046 -11.114 -2.247 1.00 0.00 O ATOM 241 CB LEU A 13 4.344 -9.421 -2.404 1.00 0.00 C ATOM 242 CG LEU A 13 5.175 -9.013 -3.637 1.00 0.00 C ATOM 243 CD1 LEU A 13 5.081 -10.008 -4.793 1.00 0.00 C ATOM 244 CD2 LEU A 13 4.691 -7.653 -4.158 1.00 0.00 C ATOM 0 H LEU A 13 3.537 -9.973 -0.185 1.00 0.00 H new ATOM 0 HA LEU A 13 4.533 -11.571 -2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.299 -9.487 -2.706 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.413 -8.619 -1.669 1.00 0.00 H new ATOM 0 HG LEU A 13 6.212 -8.980 -3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.690 -9.657 -5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.442 -10.982 -4.465 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.043 -10.095 -5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.280 -7.367 -5.029 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.640 -7.724 -4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.809 -6.901 -3.377 1.00 0.00 H new ATOM 256 N GLY A 14 6.596 -10.643 -0.101 1.00 0.00 N ATOM 257 CA GLY A 14 7.954 -10.626 0.427 1.00 0.00 C ATOM 258 C GLY A 14 8.710 -9.359 0.047 1.00 0.00 C ATOM 259 O GLY A 14 9.943 -9.367 0.037 1.00 0.00 O ATOM 0 H GLY A 14 5.902 -10.484 0.630 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.920 -10.713 1.513 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.497 -11.495 0.054 1.00 0.00 H new ATOM 263 N LEU A 15 8.005 -8.280 -0.309 1.00 0.00 N ATOM 264 CA LEU A 15 8.659 -7.039 -0.704 1.00 0.00 C ATOM 265 C LEU A 15 8.978 -6.266 0.581 1.00 0.00 C ATOM 266 O LEU A 15 8.336 -6.476 1.611 1.00 0.00 O ATOM 267 CB LEU A 15 7.687 -6.202 -1.561 1.00 0.00 C ATOM 268 CG LEU A 15 7.945 -6.214 -3.080 1.00 0.00 C ATOM 269 CD1 LEU A 15 7.161 -5.062 -3.720 1.00 0.00 C ATOM 270 CD2 LEU A 15 9.415 -6.165 -3.499 1.00 0.00 C ATOM 0 H LEU A 15 6.986 -8.246 -0.330 1.00 0.00 H new ATOM 0 HA LEU A 15 9.563 -7.242 -1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.674 -6.562 -1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.725 -5.169 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 15 7.599 -7.183 -3.441 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.334 -5.058 -4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.097 -5.193 -3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.494 -4.115 -3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.484 -6.178 -4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.872 -5.252 -3.117 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.938 -7.030 -3.092 1.00 0.00 H new ATOM 282 N ASN A 16 9.862 -5.272 0.491 1.00 0.00 N ATOM 283 CA ASN A 16 10.112 -4.322 1.581 1.00 0.00 C ATOM 284 C ASN A 16 9.274 -3.074 1.338 1.00 0.00 C ATOM 285 O ASN A 16 8.749 -2.883 0.236 1.00 0.00 O ATOM 286 CB ASN A 16 11.599 -3.949 1.684 1.00 0.00 C ATOM 287 CG ASN A 16 12.496 -5.138 1.988 1.00 0.00 C ATOM 288 OD1 ASN A 16 12.041 -6.183 2.452 1.00 0.00 O ATOM 289 ND2 ASN A 16 13.775 -5.052 1.683 1.00 0.00 N ATOM 0 H ASN A 16 10.427 -5.101 -0.341 1.00 0.00 H new ATOM 0 HA ASN A 16 9.833 -4.791 2.525 1.00 0.00 H new ATOM 0 HB2 ASN A 16 11.918 -3.492 0.747 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.725 -3.198 2.464 1.00 0.00 H new ATOM 0 HD21 ASN A 16 14.390 -5.852 1.831 1.00 0.00 H new ATOM 0 HD22 ASN A 16 14.150 -4.185 1.298 1.00 0.00 H new ATOM 296 N GLN A 17 9.141 -2.205 2.343 1.00 0.00 N ATOM 297 CA GLN A 17 8.448 -0.934 2.218 1.00 0.00 C ATOM 298 C GLN A 17 9.013 -0.133 1.054 1.00 0.00 C ATOM 299 O GLN A 17 8.249 0.254 0.175 1.00 0.00 O ATOM 300 CB GLN A 17 8.579 -0.115 3.504 1.00 0.00 C ATOM 301 CG GLN A 17 7.842 -0.667 4.725 1.00 0.00 C ATOM 302 CD GLN A 17 8.136 0.172 5.967 1.00 0.00 C ATOM 303 OE1 GLN A 17 8.855 1.162 5.921 1.00 0.00 O ATOM 304 NE2 GLN A 17 7.547 -0.194 7.087 1.00 0.00 N ATOM 0 H GLN A 17 9.519 -2.373 3.276 1.00 0.00 H new ATOM 0 HA GLN A 17 7.394 -1.145 2.036 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.637 -0.029 3.751 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.214 0.893 3.309 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.769 -0.676 4.533 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.143 -1.700 4.900 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.952 -1.022 7.103 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.686 0.351 7.938 1.00 0.00 H new ATOM 313 N ALA A 18 10.326 0.108 1.037 1.00 0.00 N ATOM 314 CA ALA A 18 10.949 0.988 0.069 1.00 0.00 C ATOM 315 C ALA A 18 10.819 0.421 -1.338 1.00 0.00 C ATOM 316 O ALA A 18 10.747 1.182 -2.291 1.00 0.00 O ATOM 317 CB ALA A 18 12.420 1.198 0.416 1.00 0.00 C ATOM 0 H ALA A 18 10.981 -0.307 1.700 1.00 0.00 H new ATOM 0 HA ALA A 18 10.437 1.950 0.102 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.876 1.861 -0.319 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.500 1.645 1.407 1.00 0.00 H new ATOM 0 HB3 ALA A 18 12.936 0.238 0.408 1.00 0.00 H new ATOM 323 N GLU A 19 10.761 -0.899 -1.488 1.00 0.00 N ATOM 324 CA GLU A 19 10.608 -1.559 -2.768 1.00 0.00 C ATOM 325 C GLU A 19 9.183 -1.382 -3.286 1.00 0.00 C ATOM 326 O GLU A 19 8.988 -0.927 -4.416 1.00 0.00 O ATOM 327 CB GLU A 19 10.928 -3.028 -2.529 1.00 0.00 C ATOM 328 CG GLU A 19 12.336 -3.203 -1.946 1.00 0.00 C ATOM 329 CD GLU A 19 13.455 -3.102 -2.985 1.00 0.00 C ATOM 330 OE1 GLU A 19 13.214 -3.395 -4.180 1.00 0.00 O ATOM 331 OE2 GLU A 19 14.579 -2.692 -2.609 1.00 0.00 O ATOM 0 H GLU A 19 10.821 -1.548 -0.703 1.00 0.00 H new ATOM 0 HA GLU A 19 11.272 -1.136 -3.522 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.194 -3.456 -1.847 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.850 -3.577 -3.467 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.497 -2.446 -1.178 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.397 -4.174 -1.454 1.00 0.00 H new ATOM 338 N LEU A 20 8.181 -1.673 -2.437 1.00 0.00 N ATOM 339 CA LEU A 20 6.777 -1.409 -2.755 1.00 0.00 C ATOM 340 C LEU A 20 6.614 0.059 -3.124 1.00 0.00 C ATOM 341 O LEU A 20 5.838 0.387 -4.013 1.00 0.00 O ATOM 342 CB LEU A 20 5.872 -1.779 -1.564 1.00 0.00 C ATOM 343 CG LEU A 20 4.368 -1.493 -1.793 1.00 0.00 C ATOM 344 CD1 LEU A 20 3.813 -2.383 -2.903 1.00 0.00 C ATOM 345 CD2 LEU A 20 3.518 -1.757 -0.543 1.00 0.00 C ATOM 0 H LEU A 20 8.326 -2.094 -1.519 1.00 0.00 H new ATOM 0 HA LEU A 20 6.477 -2.025 -3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.999 -2.839 -1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.205 -1.227 -0.685 1.00 0.00 H new ATOM 0 HG LEU A 20 4.307 -0.437 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.755 -2.166 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.354 -2.189 -3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.934 -3.430 -2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.472 -1.540 -0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.618 -2.802 -0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.859 -1.117 0.271 1.00 0.00 H new ATOM 357 N ALA A 21 7.358 0.926 -2.447 1.00 0.00 N ATOM 358 CA ALA A 21 7.378 2.340 -2.708 1.00 0.00 C ATOM 359 C ALA A 21 7.948 2.650 -4.089 1.00 0.00 C ATOM 360 O ALA A 21 7.256 3.243 -4.920 1.00 0.00 O ATOM 361 CB ALA A 21 8.134 3.063 -1.589 1.00 0.00 C ATOM 0 H ALA A 21 7.976 0.647 -1.685 1.00 0.00 H new ATOM 0 HA ALA A 21 6.353 2.710 -2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.146 4.134 -1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.637 2.879 -0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.157 2.691 -1.542 1.00 0.00 H new ATOM 367 N GLN A 22 9.189 2.237 -4.349 1.00 0.00 N ATOM 368 CA GLN A 22 10.007 2.701 -5.456 1.00 0.00 C ATOM 369 C GLN A 22 9.273 2.448 -6.761 1.00 0.00 C ATOM 370 O GLN A 22 9.148 3.343 -7.603 1.00 0.00 O ATOM 371 CB GLN A 22 11.365 1.966 -5.451 1.00 0.00 C ATOM 372 CG GLN A 22 12.433 2.669 -6.299 1.00 0.00 C ATOM 373 CD GLN A 22 13.130 3.760 -5.494 1.00 0.00 C ATOM 374 OE1 GLN A 22 14.146 3.502 -4.850 1.00 0.00 O ATOM 375 NE2 GLN A 22 12.595 4.965 -5.450 1.00 0.00 N ATOM 0 H GLN A 22 9.664 1.545 -3.770 1.00 0.00 H new ATOM 0 HA GLN A 22 10.193 3.770 -5.351 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.722 1.882 -4.425 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.224 0.951 -5.824 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.167 1.941 -6.645 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.972 3.103 -7.186 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.753 5.169 -5.988 1.00 0.00 H new ATOM 0 HE22 GLN A 22 13.024 5.693 -4.878 1.00 0.00 H new ATOM 384 N LYS A 23 8.772 1.222 -6.925 1.00 0.00 N ATOM 385 CA LYS A 23 8.185 0.801 -8.169 1.00 0.00 C ATOM 386 C LYS A 23 6.788 1.379 -8.375 1.00 0.00 C ATOM 387 O LYS A 23 6.316 1.417 -9.507 1.00 0.00 O ATOM 388 CB LYS A 23 8.337 -0.722 -8.269 1.00 0.00 C ATOM 389 CG LYS A 23 7.078 -1.573 -8.110 1.00 0.00 C ATOM 390 CD LYS A 23 6.656 -1.714 -6.641 1.00 0.00 C ATOM 391 CE LYS A 23 5.417 -2.603 -6.518 1.00 0.00 C ATOM 392 NZ LYS A 23 5.662 -3.946 -7.101 1.00 0.00 N ATOM 0 H LYS A 23 8.768 0.508 -6.196 1.00 0.00 H new ATOM 0 HA LYS A 23 8.713 1.216 -9.028 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.777 -0.952 -9.239 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.054 -1.038 -7.511 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.264 -1.124 -8.679 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.254 -2.562 -8.532 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.475 -2.140 -6.061 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.447 -0.730 -6.221 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.141 -2.704 -5.468 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.575 -2.131 -7.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.837 -4.555 -6.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.819 -3.856 -8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.502 -4.369 -6.658 1.00 0.00 H new ATOM 406 N VAL A 24 6.118 1.856 -7.323 1.00 0.00 N ATOM 407 CA VAL A 24 4.882 2.619 -7.474 1.00 0.00 C ATOM 408 C VAL A 24 5.226 4.071 -7.817 1.00 0.00 C ATOM 409 O VAL A 24 4.490 4.706 -8.576 1.00 0.00 O ATOM 410 CB VAL A 24 4.048 2.486 -6.189 1.00 0.00 C ATOM 411 CG1 VAL A 24 2.742 3.272 -6.244 1.00 0.00 C ATOM 412 CG2 VAL A 24 3.647 1.020 -5.986 1.00 0.00 C ATOM 0 H VAL A 24 6.414 1.725 -6.356 1.00 0.00 H new ATOM 0 HA VAL A 24 4.277 2.230 -8.293 1.00 0.00 H new ATOM 0 HB VAL A 24 4.674 2.872 -5.384 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.198 3.139 -5.309 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.960 4.330 -6.390 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.134 2.910 -7.073 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.056 0.927 -5.075 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.056 0.683 -6.838 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.544 0.406 -5.901 1.00 0.00 H new ATOM 422 N GLY A 25 6.361 4.567 -7.318 1.00 0.00 N ATOM 423 CA GLY A 25 6.883 5.907 -7.532 1.00 0.00 C ATOM 424 C GLY A 25 7.060 6.685 -6.230 1.00 0.00 C ATOM 425 O GLY A 25 7.380 7.873 -6.271 1.00 0.00 O ATOM 0 H GLY A 25 6.970 4.008 -6.721 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.843 5.841 -8.045 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.208 6.455 -8.189 1.00 0.00 H new ATOM 429 N VAL A 26 6.780 6.077 -5.079 1.00 0.00 N ATOM 430 CA VAL A 26 6.565 6.769 -3.822 1.00 0.00 C ATOM 431 C VAL A 26 7.779 6.582 -2.903 1.00 0.00 C ATOM 432 O VAL A 26 8.712 5.848 -3.240 1.00 0.00 O ATOM 433 CB VAL A 26 5.191 6.336 -3.262 1.00 0.00 C ATOM 434 CG1 VAL A 26 4.098 6.436 -4.339 1.00 0.00 C ATOM 435 CG2 VAL A 26 5.087 4.921 -2.700 1.00 0.00 C ATOM 0 H VAL A 26 6.696 5.064 -4.999 1.00 0.00 H new ATOM 0 HA VAL A 26 6.503 7.851 -3.939 1.00 0.00 H new ATOM 0 HB VAL A 26 5.060 7.031 -2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.142 6.125 -3.917 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.023 7.466 -4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.353 5.787 -5.177 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.073 4.746 -2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.324 4.200 -3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.789 4.805 -1.875 1.00 0.00 H new ATOM 445 N ASP A 27 7.803 7.274 -1.764 1.00 0.00 N ATOM 446 CA ASP A 27 8.843 7.183 -0.746 1.00 0.00 C ATOM 447 C ASP A 27 8.544 5.988 0.159 1.00 0.00 C ATOM 448 O ASP A 27 7.378 5.634 0.340 1.00 0.00 O ATOM 449 CB ASP A 27 8.886 8.458 0.127 1.00 0.00 C ATOM 450 CG ASP A 27 7.670 9.385 0.069 1.00 0.00 C ATOM 451 OD1 ASP A 27 7.580 10.250 -0.830 1.00 0.00 O ATOM 452 OD2 ASP A 27 6.751 9.252 0.904 1.00 0.00 O ATOM 0 H ASP A 27 7.069 7.938 -1.518 1.00 0.00 H new ATOM 0 HA ASP A 27 9.804 7.068 -1.247 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.030 8.153 1.164 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.765 9.035 -0.160 1.00 0.00 H new ATOM 457 N GLN A 28 9.569 5.417 0.808 1.00 0.00 N ATOM 458 CA GLN A 28 9.378 4.397 1.842 1.00 0.00 C ATOM 459 C GLN A 28 8.388 4.898 2.893 1.00 0.00 C ATOM 460 O GLN A 28 7.468 4.172 3.276 1.00 0.00 O ATOM 461 CB GLN A 28 10.708 4.034 2.527 1.00 0.00 C ATOM 462 CG GLN A 28 10.510 2.838 3.474 1.00 0.00 C ATOM 463 CD GLN A 28 11.628 2.675 4.488 1.00 0.00 C ATOM 464 OE1 GLN A 28 12.646 2.046 4.206 1.00 0.00 O ATOM 465 NE2 GLN A 28 11.446 3.208 5.682 1.00 0.00 N ATOM 0 H GLN A 28 10.546 5.649 0.631 1.00 0.00 H new ATOM 0 HA GLN A 28 8.985 3.503 1.358 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.458 3.791 1.775 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.083 4.891 3.086 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.565 2.957 4.004 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.431 1.926 2.882 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.590 3.724 5.885 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.161 3.104 6.402 1.00 0.00 H new ATOM 474 N GLN A 29 8.568 6.144 3.341 1.00 0.00 N ATOM 475 CA GLN A 29 7.673 6.787 4.281 1.00 0.00 C ATOM 476 C GLN A 29 6.222 6.683 3.818 1.00 0.00 C ATOM 477 O GLN A 29 5.361 6.448 4.654 1.00 0.00 O ATOM 478 CB GLN A 29 8.113 8.219 4.615 1.00 0.00 C ATOM 479 CG GLN A 29 7.360 8.755 5.845 1.00 0.00 C ATOM 480 CD GLN A 29 8.245 9.599 6.760 1.00 0.00 C ATOM 481 OE1 GLN A 29 8.638 10.719 6.448 1.00 0.00 O ATOM 482 NE2 GLN A 29 8.632 9.062 7.898 1.00 0.00 N ATOM 0 H GLN A 29 9.350 6.732 3.053 1.00 0.00 H new ATOM 0 HA GLN A 29 7.732 6.246 5.225 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.186 8.239 4.804 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.928 8.869 3.760 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.512 9.354 5.513 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.955 7.916 6.411 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.307 8.131 8.159 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.257 9.577 8.518 1.00 0.00 H new ATOM 491 N ALA A 30 5.904 6.894 2.536 1.00 0.00 N ATOM 492 CA ALA A 30 4.534 6.739 2.060 1.00 0.00 C ATOM 493 C ALA A 30 3.928 5.381 2.415 1.00 0.00 C ATOM 494 O ALA A 30 2.741 5.327 2.733 1.00 0.00 O ATOM 495 CB ALA A 30 4.409 6.972 0.552 1.00 0.00 C ATOM 0 H ALA A 30 6.574 7.170 1.818 1.00 0.00 H new ATOM 0 HA ALA A 30 3.969 7.511 2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.370 6.845 0.249 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.736 7.984 0.312 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.033 6.254 0.020 1.00 0.00 H new ATOM 501 N ILE A 31 4.704 4.296 2.364 1.00 0.00 N ATOM 502 CA ILE A 31 4.235 2.967 2.732 1.00 0.00 C ATOM 503 C ILE A 31 4.142 2.844 4.258 1.00 0.00 C ATOM 504 O ILE A 31 3.196 2.245 4.767 1.00 0.00 O ATOM 505 CB ILE A 31 5.172 1.905 2.115 1.00 0.00 C ATOM 506 CG1 ILE A 31 5.347 2.060 0.593 1.00 0.00 C ATOM 507 CG2 ILE A 31 4.681 0.485 2.436 1.00 0.00 C ATOM 508 CD1 ILE A 31 4.078 2.318 -0.227 1.00 0.00 C ATOM 0 H ILE A 31 5.679 4.319 2.064 1.00 0.00 H new ATOM 0 HA ILE A 31 3.233 2.800 2.336 1.00 0.00 H new ATOM 0 HB ILE A 31 6.148 2.069 2.572 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.040 2.882 0.413 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.819 1.155 0.212 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.358 -0.244 1.990 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.657 0.344 3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.679 0.346 2.029 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.338 2.408 -1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.384 1.488 -0.094 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.608 3.242 0.111 1.00 0.00 H new ATOM 520 N GLU A 32 5.101 3.395 4.995 1.00 0.00 N ATOM 521 CA GLU A 32 5.179 3.270 6.447 1.00 0.00 C ATOM 522 C GLU A 32 4.145 4.139 7.163 1.00 0.00 C ATOM 523 O GLU A 32 3.561 3.746 8.173 1.00 0.00 O ATOM 524 CB GLU A 32 6.595 3.658 6.863 1.00 0.00 C ATOM 525 CG GLU A 32 6.792 3.509 8.371 1.00 0.00 C ATOM 526 CD GLU A 32 8.173 2.957 8.709 1.00 0.00 C ATOM 527 OE1 GLU A 32 9.161 3.703 8.522 1.00 0.00 O ATOM 528 OE2 GLU A 32 8.231 1.811 9.217 1.00 0.00 O ATOM 0 H GLU A 32 5.858 3.950 4.595 1.00 0.00 H new ATOM 0 HA GLU A 32 4.955 2.243 6.734 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.315 3.032 6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.793 4.689 6.568 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.660 4.478 8.852 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.027 2.846 8.774 1.00 0.00 H new ATOM 535 N GLN A 33 3.867 5.322 6.632 1.00 0.00 N ATOM 536 CA GLN A 33 2.786 6.137 7.131 1.00 0.00 C ATOM 537 C GLN A 33 1.471 5.423 6.826 1.00 0.00 C ATOM 538 O GLN A 33 0.559 5.448 7.645 1.00 0.00 O ATOM 539 CB GLN A 33 2.883 7.562 6.562 1.00 0.00 C ATOM 540 CG GLN A 33 2.147 7.735 5.227 1.00 0.00 C ATOM 541 CD GLN A 33 2.386 9.099 4.595 1.00 0.00 C ATOM 542 OE1 GLN A 33 2.610 10.097 5.280 1.00 0.00 O ATOM 543 NE2 GLN A 33 2.341 9.176 3.278 1.00 0.00 N ATOM 0 H GLN A 33 4.382 5.733 5.853 1.00 0.00 H new ATOM 0 HA GLN A 33 2.844 6.262 8.212 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.473 8.264 7.288 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.933 7.821 6.426 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.471 6.957 4.535 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.078 7.595 5.386 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.154 8.340 2.724 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.493 10.072 2.814 1.00 0.00 H new ATOM 552 N LEU A 34 1.360 4.753 5.671 1.00 0.00 N ATOM 553 CA LEU A 34 0.159 4.032 5.326 1.00 0.00 C ATOM 554 C LEU A 34 -0.023 2.902 6.333 1.00 0.00 C ATOM 555 O LEU A 34 -1.148 2.704 6.779 1.00 0.00 O ATOM 556 CB LEU A 34 0.275 3.471 3.905 1.00 0.00 C ATOM 557 CG LEU A 34 -0.556 4.315 2.938 1.00 0.00 C ATOM 558 CD1 LEU A 34 -0.206 3.988 1.487 1.00 0.00 C ATOM 559 CD2 LEU A 34 -2.070 4.143 3.096 1.00 0.00 C ATOM 0 H LEU A 34 2.097 4.704 4.968 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.704 4.697 5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.319 3.467 3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.068 2.437 3.885 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.303 5.345 3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.811 4.602 0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.850 4.194 1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.407 2.934 1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.585 4.776 2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.338 3.101 2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.365 4.430 4.105 1.00 0.00 H new ATOM 571 N GLU A 35 1.066 2.219 6.725 1.00 0.00 N ATOM 572 CA GLU A 35 1.055 1.179 7.756 1.00 0.00 C ATOM 573 C GLU A 35 0.416 1.721 9.035 1.00 0.00 C ATOM 574 O GLU A 35 -0.409 1.035 9.633 1.00 0.00 O ATOM 575 CB GLU A 35 2.447 0.635 8.128 1.00 0.00 C ATOM 576 CG GLU A 35 3.070 -0.481 7.278 1.00 0.00 C ATOM 577 CD GLU A 35 4.335 -1.049 7.960 1.00 0.00 C ATOM 578 OE1 GLU A 35 4.698 -0.649 9.087 1.00 0.00 O ATOM 579 OE2 GLU A 35 4.995 -1.927 7.356 1.00 0.00 O ATOM 0 H GLU A 35 1.991 2.380 6.325 1.00 0.00 H new ATOM 0 HA GLU A 35 0.485 0.357 7.324 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.140 1.477 8.122 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.394 0.273 9.155 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.343 -1.279 7.128 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.326 -0.093 6.292 1.00 0.00 H new ATOM 586 N ASN A 36 0.795 2.917 9.492 1.00 0.00 N ATOM 587 CA ASN A 36 0.236 3.498 10.706 1.00 0.00 C ATOM 588 C ASN A 36 -1.102 4.218 10.488 1.00 0.00 C ATOM 589 O ASN A 36 -1.660 4.773 11.436 1.00 0.00 O ATOM 590 CB ASN A 36 1.299 4.333 11.426 1.00 0.00 C ATOM 591 CG ASN A 36 1.532 5.751 10.925 1.00 0.00 C ATOM 592 OD1 ASN A 36 0.632 6.577 10.885 1.00 0.00 O ATOM 593 ND2 ASN A 36 2.775 6.070 10.608 1.00 0.00 N ATOM 0 H ASN A 36 1.492 3.502 9.032 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.037 2.682 11.375 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.027 4.388 12.480 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.246 3.796 11.369 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.000 7.023 10.322 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.509 5.363 10.649 1.00 0.00 H new ATOM 600 N GLY A 37 -1.662 4.184 9.276 1.00 0.00 N ATOM 601 CA GLY A 37 -2.957 4.777 8.959 1.00 0.00 C ATOM 602 C GLY A 37 -2.877 6.284 8.710 1.00 0.00 C ATOM 603 O GLY A 37 -3.903 6.960 8.716 1.00 0.00 O ATOM 0 H GLY A 37 -1.217 3.735 8.475 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.368 4.289 8.075 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.649 4.586 9.779 1.00 0.00 H new ATOM 607 N LYS A 38 -1.683 6.838 8.488 1.00 0.00 N ATOM 608 CA LYS A 38 -1.479 8.267 8.262 1.00 0.00 C ATOM 609 C LYS A 38 -1.945 8.715 6.878 1.00 0.00 C ATOM 610 O LYS A 38 -2.014 9.926 6.659 1.00 0.00 O ATOM 611 CB LYS A 38 0.014 8.619 8.428 1.00 0.00 C ATOM 612 CG LYS A 38 0.332 9.518 9.622 1.00 0.00 C ATOM 613 CD LYS A 38 -0.329 10.902 9.504 1.00 0.00 C ATOM 614 CE LYS A 38 0.463 12.018 10.193 1.00 0.00 C ATOM 615 NZ LYS A 38 1.762 12.256 9.531 1.00 0.00 N ATOM 0 H LYS A 38 -0.819 6.297 8.460 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.081 8.793 9.003 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.582 7.694 8.526 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.360 9.111 7.519 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.005 9.034 10.538 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.412 9.640 9.705 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.449 11.150 8.449 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.329 10.857 9.936 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.123 12.937 10.186 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.630 11.754 11.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.113 13.201 9.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.447 11.538 9.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.642 12.197 8.500 1.00 0.00 H new ATOM 629 N ALA A 39 -2.233 7.815 5.933 1.00 0.00 N ATOM 630 CA ALA A 39 -2.855 8.156 4.663 1.00 0.00 C ATOM 631 C ALA A 39 -4.088 7.283 4.465 1.00 0.00 C ATOM 632 O ALA A 39 -4.125 6.152 4.957 1.00 0.00 O ATOM 633 CB ALA A 39 -1.836 7.874 3.564 1.00 0.00 C ATOM 0 H ALA A 39 -2.036 6.819 6.036 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.157 9.203 4.639 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.269 8.119 2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.946 8.482 3.728 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.563 6.819 3.583 1.00 0.00 H new ATOM 639 N LYS A 40 -5.039 7.759 3.661 1.00 0.00 N ATOM 640 CA LYS A 40 -6.208 7.003 3.230 1.00 0.00 C ATOM 641 C LYS A 40 -6.214 6.969 1.709 1.00 0.00 C ATOM 642 O LYS A 40 -5.904 5.917 1.149 1.00 0.00 O ATOM 643 CB LYS A 40 -7.476 7.573 3.888 1.00 0.00 C ATOM 644 CG LYS A 40 -8.678 6.614 3.885 1.00 0.00 C ATOM 645 CD LYS A 40 -9.206 6.277 2.479 1.00 0.00 C ATOM 646 CE LYS A 40 -10.630 5.702 2.461 1.00 0.00 C ATOM 647 NZ LYS A 40 -11.624 6.626 3.045 1.00 0.00 N ATOM 0 H LYS A 40 -5.014 8.706 3.283 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.177 5.965 3.561 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.246 7.844 4.918 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.757 8.491 3.372 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.393 5.689 4.386 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.485 7.057 4.468 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.183 7.180 1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.531 5.560 2.012 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.912 5.473 1.433 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.645 4.762 3.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.579 6.345 2.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.564 6.590 4.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.430 7.595 2.720 1.00 0.00 H new ATOM 661 N ARG A 41 -6.514 8.081 1.022 1.00 0.00 N ATOM 662 CA ARG A 41 -6.486 8.133 -0.441 1.00 0.00 C ATOM 663 C ARG A 41 -5.287 8.994 -0.845 1.00 0.00 C ATOM 664 O ARG A 41 -5.403 10.223 -0.882 1.00 0.00 O ATOM 665 CB ARG A 41 -7.819 8.654 -1.010 1.00 0.00 C ATOM 666 CG ARG A 41 -7.746 9.029 -2.496 1.00 0.00 C ATOM 667 CD ARG A 41 -9.127 9.380 -3.051 1.00 0.00 C ATOM 668 NE ARG A 41 -9.141 9.142 -4.497 1.00 0.00 N ATOM 669 CZ ARG A 41 -9.929 9.732 -5.408 1.00 0.00 C ATOM 670 NH1 ARG A 41 -10.799 10.665 -5.036 1.00 0.00 N ATOM 671 NH2 ARG A 41 -9.856 9.381 -6.688 1.00 0.00 N ATOM 0 H ARG A 41 -6.780 8.961 1.464 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.369 7.135 -0.863 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.586 7.892 -0.873 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.132 9.527 -0.438 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.074 9.877 -2.626 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.325 8.198 -3.062 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.892 8.776 -2.564 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.362 10.423 -2.840 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.478 8.451 -4.850 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.869 10.935 -4.055 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.397 11.111 -5.732 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.198 8.659 -6.982 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.458 9.833 -7.376 1.00 0.00 H new ATOM 685 N PRO A 42 -4.126 8.399 -1.123 1.00 0.00 N ATOM 686 CA PRO A 42 -3.038 9.097 -1.778 1.00 0.00 C ATOM 687 C PRO A 42 -3.307 9.185 -3.288 1.00 0.00 C ATOM 688 O PRO A 42 -4.204 8.516 -3.822 1.00 0.00 O ATOM 689 CB PRO A 42 -1.818 8.242 -1.464 1.00 0.00 C ATOM 690 CG PRO A 42 -2.378 6.819 -1.442 1.00 0.00 C ATOM 691 CD PRO A 42 -3.791 7.004 -0.907 1.00 0.00 C ATOM 0 HA PRO A 42 -2.908 10.125 -1.440 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.042 8.357 -2.221 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.373 8.513 -0.507 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.380 6.373 -2.436 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.788 6.165 -0.800 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.492 6.350 -1.426 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.843 6.751 0.152 1.00 0.00 H new ATOM 699 N ARG A 43 -2.473 9.947 -4.001 1.00 0.00 N ATOM 700 CA ARG A 43 -2.487 9.996 -5.462 1.00 0.00 C ATOM 701 C ARG A 43 -2.232 8.603 -6.031 1.00 0.00 C ATOM 702 O ARG A 43 -2.870 8.191 -6.996 1.00 0.00 O ATOM 703 CB ARG A 43 -1.477 11.053 -5.968 1.00 0.00 C ATOM 704 CG ARG A 43 -0.023 10.565 -6.121 1.00 0.00 C ATOM 705 CD ARG A 43 0.968 11.712 -6.335 1.00 0.00 C ATOM 706 NE ARG A 43 1.449 12.248 -5.053 1.00 0.00 N ATOM 707 CZ ARG A 43 2.410 13.166 -4.916 1.00 0.00 C ATOM 708 NH1 ARG A 43 2.898 13.795 -5.981 1.00 0.00 N ATOM 709 NH2 ARG A 43 2.860 13.471 -3.706 1.00 0.00 N ATOM 0 H ARG A 43 -1.767 10.549 -3.577 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.469 10.308 -5.817 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.820 11.424 -6.934 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.487 11.898 -5.280 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.263 10.005 -5.231 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.038 9.876 -6.964 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.814 11.359 -6.925 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.490 12.507 -6.908 1.00 0.00 H new ATOM 0 HE ARG A 43 1.015 11.891 -4.202 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.539 13.578 -6.911 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.632 14.495 -5.868 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.472 13.005 -2.885 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.594 14.171 -3.596 1.00 0.00 H new ATOM 723 N PHE A 44 -1.327 7.858 -5.399 1.00 0.00 N ATOM 724 CA PHE A 44 -0.727 6.653 -5.940 1.00 0.00 C ATOM 725 C PHE A 44 -1.597 5.399 -5.792 1.00 0.00 C ATOM 726 O PHE A 44 -1.157 4.306 -6.130 1.00 0.00 O ATOM 727 CB PHE A 44 0.652 6.490 -5.292 1.00 0.00 C ATOM 728 CG PHE A 44 0.689 6.432 -3.775 1.00 0.00 C ATOM 729 CD1 PHE A 44 0.297 5.257 -3.113 1.00 0.00 C ATOM 730 CD2 PHE A 44 1.231 7.500 -3.030 1.00 0.00 C ATOM 731 CE1 PHE A 44 0.455 5.138 -1.725 1.00 0.00 C ATOM 732 CE2 PHE A 44 1.377 7.385 -1.635 1.00 0.00 C ATOM 733 CZ PHE A 44 0.986 6.203 -0.980 1.00 0.00 C ATOM 0 H PHE A 44 -0.984 8.089 -4.467 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.629 6.766 -7.020 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.104 5.577 -5.679 1.00 0.00 H new ATOM 0 HB3 PHE A 44 1.281 7.319 -5.616 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.129 4.440 -3.677 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.534 8.407 -3.531 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.167 4.224 -1.227 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.790 8.205 -1.067 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.094 6.115 0.091 1.00 0.00 H new ATOM 743 N LEU A 45 -2.808 5.506 -5.245 1.00 0.00 N ATOM 744 CA LEU A 45 -3.643 4.398 -4.806 1.00 0.00 C ATOM 745 C LEU A 45 -3.843 3.293 -5.854 1.00 0.00 C ATOM 746 O LEU A 45 -3.477 2.156 -5.550 1.00 0.00 O ATOM 747 CB LEU A 45 -4.934 5.039 -4.255 1.00 0.00 C ATOM 748 CG LEU A 45 -5.985 4.059 -3.728 1.00 0.00 C ATOM 749 CD1 LEU A 45 -5.546 3.440 -2.404 1.00 0.00 C ATOM 750 CD2 LEU A 45 -7.307 4.796 -3.488 1.00 0.00 C ATOM 0 H LEU A 45 -3.250 6.412 -5.091 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.151 3.825 -4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.664 5.722 -3.450 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.386 5.639 -5.045 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.108 3.274 -4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.312 2.748 -2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.609 2.902 -2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.403 4.227 -1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.052 4.094 -3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.154 5.589 -2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.657 5.230 -4.425 1.00 0.00 H new ATOM 762 N PRO A 46 -4.381 3.541 -7.062 1.00 0.00 N ATOM 763 CA PRO A 46 -4.546 2.472 -8.034 1.00 0.00 C ATOM 764 C PRO A 46 -3.217 1.983 -8.618 1.00 0.00 C ATOM 765 O PRO A 46 -3.177 0.848 -9.100 1.00 0.00 O ATOM 766 CB PRO A 46 -5.489 3.017 -9.108 1.00 0.00 C ATOM 767 CG PRO A 46 -5.303 4.523 -9.024 1.00 0.00 C ATOM 768 CD PRO A 46 -4.943 4.782 -7.565 1.00 0.00 C ATOM 0 HA PRO A 46 -4.965 1.585 -7.558 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.232 2.637 -10.097 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.523 2.730 -8.915 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.514 4.863 -9.694 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.213 5.052 -9.308 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.225 5.598 -7.480 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.824 5.071 -6.992 1.00 0.00 H new ATOM 776 N GLU A 47 -2.130 2.761 -8.580 1.00 0.00 N ATOM 777 CA GLU A 47 -0.823 2.295 -9.006 1.00 0.00 C ATOM 778 C GLU A 47 -0.284 1.324 -7.963 1.00 0.00 C ATOM 779 O GLU A 47 0.191 0.250 -8.323 1.00 0.00 O ATOM 780 CB GLU A 47 0.155 3.459 -9.179 1.00 0.00 C ATOM 781 CG GLU A 47 -0.146 4.370 -10.375 1.00 0.00 C ATOM 782 CD GLU A 47 -1.016 5.559 -9.979 1.00 0.00 C ATOM 783 OE1 GLU A 47 -0.471 6.462 -9.308 1.00 0.00 O ATOM 784 OE2 GLU A 47 -2.223 5.587 -10.311 1.00 0.00 O ATOM 0 H GLU A 47 -2.140 3.727 -8.253 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.926 1.799 -9.971 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.149 4.060 -8.270 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.162 3.057 -9.289 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.790 4.731 -10.801 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.649 3.795 -11.152 1.00 0.00 H new ATOM 791 N LEU A 48 -0.390 1.676 -6.675 1.00 0.00 N ATOM 792 CA LEU A 48 0.035 0.826 -5.575 1.00 0.00 C ATOM 793 C LEU A 48 -0.739 -0.468 -5.627 1.00 0.00 C ATOM 794 O LEU A 48 -0.127 -1.528 -5.566 1.00 0.00 O ATOM 795 CB LEU A 48 -0.132 1.521 -4.219 1.00 0.00 C ATOM 796 CG LEU A 48 0.437 0.661 -3.064 1.00 0.00 C ATOM 797 CD1 LEU A 48 1.544 1.399 -2.313 1.00 0.00 C ATOM 798 CD2 LEU A 48 -0.657 0.264 -2.069 1.00 0.00 C ATOM 0 H LEU A 48 -0.778 2.570 -6.373 1.00 0.00 H new ATOM 0 HA LEU A 48 1.099 0.616 -5.684 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.375 2.486 -4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.188 1.720 -4.039 1.00 0.00 H new ATOM 0 HG LEU A 48 0.850 -0.239 -3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.922 0.767 -1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.356 1.635 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.145 2.322 -1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.222 -0.339 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.104 1.162 -1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.424 -0.314 -2.584 1.00 0.00 H new ATOM 810 N ALA A 49 -2.061 -0.388 -5.780 1.00 0.00 N ATOM 811 CA ALA A 49 -2.854 -1.607 -5.860 1.00 0.00 C ATOM 812 C ALA A 49 -2.430 -2.484 -7.036 1.00 0.00 C ATOM 813 O ALA A 49 -2.154 -3.668 -6.842 1.00 0.00 O ATOM 814 CB ALA A 49 -4.348 -1.262 -5.911 1.00 0.00 C ATOM 0 H ALA A 49 -2.590 0.482 -5.849 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.672 -2.194 -4.960 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.932 -2.181 -5.971 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.626 -0.713 -5.011 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.550 -0.646 -6.788 1.00 0.00 H new ATOM 820 N ARG A 50 -2.313 -1.914 -8.238 1.00 0.00 N ATOM 821 CA ARG A 50 -1.912 -2.650 -9.431 1.00 0.00 C ATOM 822 C ARG A 50 -0.552 -3.302 -9.217 1.00 0.00 C ATOM 823 O ARG A 50 -0.404 -4.504 -9.460 1.00 0.00 O ATOM 824 CB ARG A 50 -1.907 -1.682 -10.621 1.00 0.00 C ATOM 825 CG ARG A 50 -1.589 -2.370 -11.952 1.00 0.00 C ATOM 826 CD ARG A 50 -1.287 -1.339 -13.043 1.00 0.00 C ATOM 827 NE ARG A 50 0.016 -0.687 -12.823 1.00 0.00 N ATOM 828 CZ ARG A 50 0.295 0.621 -12.782 1.00 0.00 C ATOM 829 NH1 ARG A 50 -0.644 1.543 -12.935 1.00 0.00 N ATOM 830 NH2 ARG A 50 1.542 1.026 -12.584 1.00 0.00 N ATOM 0 H ARG A 50 -2.495 -0.925 -8.408 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.618 -3.454 -9.639 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.881 -1.198 -10.692 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.173 -0.897 -10.440 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.734 -3.034 -11.827 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.432 -2.990 -12.256 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.291 -1.827 -14.018 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.074 -0.585 -13.061 1.00 0.00 H new ATOM 0 HE ARG A 50 0.808 -1.314 -12.684 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.613 1.264 -13.089 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.398 2.532 -12.898 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.288 0.341 -12.463 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.756 2.023 -12.553 1.00 0.00 H new ATOM 844 N ALA A 51 0.440 -2.527 -8.780 1.00 0.00 N ATOM 845 CA ALA A 51 1.800 -2.992 -8.608 1.00 0.00 C ATOM 846 C ALA A 51 1.947 -3.908 -7.382 1.00 0.00 C ATOM 847 O ALA A 51 2.937 -4.638 -7.312 1.00 0.00 O ATOM 848 CB ALA A 51 2.759 -1.797 -8.548 1.00 0.00 C ATOM 0 H ALA A 51 0.311 -1.545 -8.534 1.00 0.00 H new ATOM 0 HA ALA A 51 2.063 -3.600 -9.473 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.780 -2.156 -8.418 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.689 -1.228 -9.475 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.490 -1.157 -7.708 1.00 0.00 H new ATOM 854 N LEU A 52 1.013 -3.905 -6.420 1.00 0.00 N ATOM 855 CA LEU A 52 0.933 -4.920 -5.370 1.00 0.00 C ATOM 856 C LEU A 52 0.196 -6.171 -5.844 1.00 0.00 C ATOM 857 O LEU A 52 0.398 -7.240 -5.272 1.00 0.00 O ATOM 858 CB LEU A 52 0.276 -4.351 -4.104 1.00 0.00 C ATOM 859 CG LEU A 52 0.458 -5.223 -2.847 1.00 0.00 C ATOM 860 CD1 LEU A 52 1.863 -5.823 -2.662 1.00 0.00 C ATOM 861 CD2 LEU A 52 0.161 -4.399 -1.586 1.00 0.00 C ATOM 0 H LEU A 52 0.288 -3.191 -6.352 1.00 0.00 H new ATOM 0 HA LEU A 52 1.954 -5.213 -5.127 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.689 -3.362 -3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.790 -4.220 -4.290 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.239 -6.049 -2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.887 -6.419 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.103 -6.457 -3.516 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.595 -5.019 -2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.293 -5.025 -0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.845 -3.552 -1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.866 -4.035 -1.623 1.00 0.00 H new ATOM 873 N GLY A 53 -0.663 -6.057 -6.856 1.00 0.00 N ATOM 874 CA GLY A 53 -1.377 -7.176 -7.451 1.00 0.00 C ATOM 875 C GLY A 53 -2.749 -7.381 -6.824 1.00 0.00 C ATOM 876 O GLY A 53 -3.195 -8.523 -6.746 1.00 0.00 O ATOM 0 H GLY A 53 -0.884 -5.162 -7.292 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.490 -7.005 -8.521 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.787 -8.085 -7.335 1.00 0.00 H new ATOM 880 N VAL A 54 -3.401 -6.324 -6.335 1.00 0.00 N ATOM 881 CA VAL A 54 -4.733 -6.398 -5.731 1.00 0.00 C ATOM 882 C VAL A 54 -5.597 -5.252 -6.268 1.00 0.00 C ATOM 883 O VAL A 54 -5.081 -4.308 -6.874 1.00 0.00 O ATOM 884 CB VAL A 54 -4.632 -6.392 -4.189 1.00 0.00 C ATOM 885 CG1 VAL A 54 -3.675 -7.463 -3.639 1.00 0.00 C ATOM 886 CG2 VAL A 54 -4.169 -5.034 -3.664 1.00 0.00 C ATOM 0 H VAL A 54 -3.014 -5.380 -6.348 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.214 -7.337 -6.006 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.641 -6.613 -3.841 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.650 -7.405 -2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.022 -8.451 -3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.673 -7.294 -4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.109 -5.066 -2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.187 -4.801 -4.075 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.880 -4.265 -3.966 1.00 0.00 H new ATOM 896 N ALA A 55 -6.907 -5.299 -6.028 1.00 0.00 N ATOM 897 CA ALA A 55 -7.823 -4.261 -6.484 1.00 0.00 C ATOM 898 C ALA A 55 -7.782 -3.026 -5.573 1.00 0.00 C ATOM 899 O ALA A 55 -7.438 -3.115 -4.393 1.00 0.00 O ATOM 900 CB ALA A 55 -9.236 -4.850 -6.518 1.00 0.00 C ATOM 0 H ALA A 55 -7.359 -6.055 -5.514 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.522 -3.932 -7.479 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.939 -4.089 -6.857 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.260 -5.698 -7.203 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.516 -5.183 -5.518 1.00 0.00 H new ATOM 906 N VAL A 56 -8.249 -1.884 -6.080 1.00 0.00 N ATOM 907 CA VAL A 56 -8.645 -0.727 -5.288 1.00 0.00 C ATOM 908 C VAL A 56 -9.821 -1.121 -4.393 1.00 0.00 C ATOM 909 O VAL A 56 -9.856 -0.692 -3.247 1.00 0.00 O ATOM 910 CB VAL A 56 -9.013 0.430 -6.239 1.00 0.00 C ATOM 911 CG1 VAL A 56 -9.401 1.695 -5.470 1.00 0.00 C ATOM 912 CG2 VAL A 56 -7.845 0.798 -7.163 1.00 0.00 C ATOM 0 H VAL A 56 -8.364 -1.738 -7.083 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.828 -0.392 -4.649 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.859 0.071 -6.825 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.653 2.487 -6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.263 1.486 -4.836 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.564 2.015 -4.850 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.143 1.617 -7.818 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.989 1.107 -6.562 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.571 -0.068 -7.766 1.00 0.00 H new ATOM 922 N ASP A 57 -10.740 -1.979 -4.850 1.00 0.00 N ATOM 923 CA ASP A 57 -11.790 -2.531 -3.990 1.00 0.00 C ATOM 924 C ASP A 57 -11.246 -3.313 -2.814 1.00 0.00 C ATOM 925 O ASP A 57 -11.765 -3.198 -1.710 1.00 0.00 O ATOM 926 CB ASP A 57 -12.704 -3.458 -4.798 1.00 0.00 C ATOM 927 CG ASP A 57 -14.001 -3.823 -4.079 1.00 0.00 C ATOM 928 OD1 ASP A 57 -14.785 -2.919 -3.737 1.00 0.00 O ATOM 929 OD2 ASP A 57 -14.297 -5.030 -3.923 1.00 0.00 O ATOM 0 H ASP A 57 -10.777 -2.307 -5.815 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.341 -1.674 -3.602 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.947 -2.977 -5.746 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.161 -4.373 -5.035 1.00 0.00 H new ATOM 934 N TRP A 58 -10.177 -4.077 -3.018 1.00 0.00 N ATOM 935 CA TRP A 58 -9.538 -4.764 -1.915 1.00 0.00 C ATOM 936 C TRP A 58 -8.847 -3.756 -1.010 1.00 0.00 C ATOM 937 O TRP A 58 -8.921 -3.874 0.207 1.00 0.00 O ATOM 938 CB TRP A 58 -8.509 -5.750 -2.436 1.00 0.00 C ATOM 939 CG TRP A 58 -7.819 -6.503 -1.354 1.00 0.00 C ATOM 940 CD1 TRP A 58 -8.283 -7.636 -0.801 1.00 0.00 C ATOM 941 CD2 TRP A 58 -6.581 -6.196 -0.658 1.00 0.00 C ATOM 942 NE1 TRP A 58 -7.446 -8.039 0.216 1.00 0.00 N ATOM 943 CE2 TRP A 58 -6.361 -7.198 0.329 1.00 0.00 C ATOM 944 CE3 TRP A 58 -5.617 -5.174 -0.764 1.00 0.00 C ATOM 945 CZ2 TRP A 58 -5.245 -7.171 1.171 1.00 0.00 C ATOM 946 CZ3 TRP A 58 -4.438 -5.199 0.004 1.00 0.00 C ATOM 947 CH2 TRP A 58 -4.262 -6.195 0.976 1.00 0.00 C ATOM 0 H TRP A 58 -9.743 -4.231 -3.928 1.00 0.00 H new ATOM 0 HA TRP A 58 -10.301 -5.302 -1.352 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -8.999 -6.456 -3.106 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -7.767 -5.213 -3.026 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -9.179 -8.154 -1.108 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -7.608 -8.854 0.808 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -5.786 -4.355 -1.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.143 -7.897 1.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -3.672 -4.454 -0.154 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -3.364 -6.208 1.576 1.00 0.00 H new ATOM 958 N LEU A 59 -8.173 -2.759 -1.583 1.00 0.00 N ATOM 959 CA LEU A 59 -7.542 -1.724 -0.790 1.00 0.00 C ATOM 960 C LEU A 59 -8.568 -1.030 0.089 1.00 0.00 C ATOM 961 O LEU A 59 -8.354 -0.944 1.295 1.00 0.00 O ATOM 962 CB LEU A 59 -6.780 -0.730 -1.669 1.00 0.00 C ATOM 963 CG LEU A 59 -5.278 -1.024 -1.785 1.00 0.00 C ATOM 964 CD1 LEU A 59 -4.603 0.128 -2.529 1.00 0.00 C ATOM 965 CD2 LEU A 59 -4.550 -1.177 -0.434 1.00 0.00 C ATOM 0 H LEU A 59 -8.055 -2.653 -2.591 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.806 -2.195 -0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.219 -0.733 -2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.913 0.273 -1.265 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.205 -1.977 -2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.535 -0.072 -2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.037 0.222 -3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.755 1.056 -1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.494 -1.383 -0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.649 -0.255 0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.992 -2.001 0.126 1.00 0.00 H new ATOM 977 N LEU A 60 -9.665 -0.548 -0.490 1.00 0.00 N ATOM 978 CA LEU A 60 -10.638 0.260 0.217 1.00 0.00 C ATOM 979 C LEU A 60 -11.457 -0.617 1.147 1.00 0.00 C ATOM 980 O LEU A 60 -11.535 -0.362 2.350 1.00 0.00 O ATOM 981 CB LEU A 60 -11.553 0.957 -0.799 1.00 0.00 C ATOM 982 CG LEU A 60 -10.884 2.150 -1.508 1.00 0.00 C ATOM 983 CD1 LEU A 60 -11.828 2.701 -2.581 1.00 0.00 C ATOM 984 CD2 LEU A 60 -10.493 3.279 -0.543 1.00 0.00 C ATOM 0 H LEU A 60 -9.899 -0.712 -1.469 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.124 1.015 0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.872 0.231 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.452 1.304 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.963 1.779 -1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.355 3.545 -3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.045 1.920 -3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.757 3.030 -2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.027 4.090 -1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.385 3.652 -0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.790 2.898 0.197 1.00 0.00 H new ATOM 996 N ASN A 61 -12.084 -1.635 0.571 1.00 0.00 N ATOM 997 CA ASN A 61 -13.187 -2.370 1.164 1.00 0.00 C ATOM 998 C ASN A 61 -12.728 -3.721 1.702 1.00 0.00 C ATOM 999 O ASN A 61 -13.397 -4.269 2.577 1.00 0.00 O ATOM 1000 CB ASN A 61 -14.317 -2.519 0.131 1.00 0.00 C ATOM 1001 CG ASN A 61 -14.666 -1.185 -0.525 1.00 0.00 C ATOM 1002 OD1 ASN A 61 -15.089 -0.247 0.150 1.00 0.00 O ATOM 1003 ND2 ASN A 61 -14.444 -1.034 -1.817 1.00 0.00 N ATOM 0 H ASN A 61 -11.827 -1.981 -0.354 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.570 -1.810 2.018 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -14.017 -3.233 -0.636 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.203 -2.927 0.618 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.623 -0.135 -2.264 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.093 -1.817 -2.369 1.00 0.00 H new ATOM 1010 N GLY A 62 -11.571 -4.243 1.270 1.00 0.00 N ATOM 1011 CA GLY A 62 -10.945 -5.367 1.949 1.00 0.00 C ATOM 1012 C GLY A 62 -11.346 -6.719 1.397 1.00 0.00 C ATOM 1013 O GLY A 62 -11.122 -7.723 2.073 1.00 0.00 O ATOM 0 H GLY A 62 -11.058 -3.901 0.457 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.862 -5.264 1.879 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.201 -5.327 3.008 1.00 0.00 H new ATOM 1017 N ALA A 63 -11.928 -6.754 0.194 1.00 0.00 N ATOM 1018 CA ALA A 63 -12.686 -7.891 -0.306 1.00 0.00 C ATOM 1019 C ALA A 63 -13.642 -8.386 0.779 1.00 0.00 C ATOM 1020 O ALA A 63 -14.348 -7.555 1.361 1.00 0.00 O ATOM 1021 CB ALA A 63 -11.765 -8.982 -0.849 1.00 0.00 C ATOM 0 H ALA A 63 -11.881 -5.977 -0.466 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.293 -7.578 -1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -12.365 -9.816 -1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.167 -8.580 -1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.105 -9.330 -0.054 1.00 0.00 H new