USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 527 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 0 MET CE :methyl 174:sc= -0.789 (180deg=-0.918) USER MOD Single : A 0 MET N :NH3+ 146:sc= 0.065 (180deg=-0.232) USER MOD Single : A 2 MET CE :methyl -177:sc= -0.0814 (180deg=-0.0842) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 17 GLN : amide:sc= 0.555! K(o=0.56!,f=-0.13) USER MOD Single : A 22 GLN : amide:sc= -0.0667 X(o=-0.067,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 179:sc= 0.0859 (180deg=0.0829) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 29 GLN : amide:sc= -0.121 K(o=-0.12,f=-1.1) USER MOD Single : A 33 GLN : amide:sc= -0.413 X(o=-0.41,f=-0.059) USER MOD Single : A 36 ASN : amide:sc= -2.5 K(o=-2.5,f=-12!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.441 X(o=0.44,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -9.291 -6.342 9.513 1.00 0.00 N ATOM 2 CA MET A 0 -8.061 -5.599 9.726 1.00 0.00 C ATOM 3 C MET A 0 -8.142 -4.245 9.028 1.00 0.00 C ATOM 4 O MET A 0 -8.935 -4.067 8.092 1.00 0.00 O ATOM 5 CB MET A 0 -6.860 -6.417 9.236 1.00 0.00 C ATOM 6 CG MET A 0 -6.805 -6.550 7.705 1.00 0.00 C ATOM 7 SD MET A 0 -5.786 -7.892 7.032 1.00 0.00 S ATOM 8 CE MET A 0 -4.229 -7.666 7.930 1.00 0.00 C ATOM 0 H1 MET A 0 -9.076 -7.357 9.447 1.00 0.00 H new ATOM 0 H2 MET A 0 -9.939 -6.176 10.309 1.00 0.00 H new ATOM 0 H3 MET A 0 -9.740 -6.025 8.630 1.00 0.00 H new ATOM 0 HA MET A 0 -7.926 -5.417 10.792 1.00 0.00 H new ATOM 0 HB2 MET A 0 -5.941 -5.948 9.587 1.00 0.00 H new ATOM 0 HB3 MET A 0 -6.900 -7.412 9.680 1.00 0.00 H new ATOM 0 HG2 MET A 0 -7.823 -6.682 7.339 1.00 0.00 H new ATOM 0 HG3 MET A 0 -6.439 -5.608 7.296 1.00 0.00 H new ATOM 0 HE1 MET A 0 -3.550 -8.486 7.694 1.00 0.00 H new ATOM 0 HE2 MET A 0 -3.773 -6.721 7.636 1.00 0.00 H new ATOM 0 HE3 MET A 0 -4.426 -7.656 9.002 1.00 0.00 H new ATOM 18 N LEU A 1 -7.299 -3.306 9.448 1.00 0.00 N ATOM 19 CA LEU A 1 -7.259 -1.982 8.832 1.00 0.00 C ATOM 20 C LEU A 1 -6.680 -2.059 7.424 1.00 0.00 C ATOM 21 O LEU A 1 -6.099 -3.063 7.014 1.00 0.00 O ATOM 22 CB LEU A 1 -6.421 -0.971 9.627 1.00 0.00 C ATOM 23 CG LEU A 1 -6.741 -0.822 11.119 1.00 0.00 C ATOM 24 CD1 LEU A 1 -5.802 0.218 11.735 1.00 0.00 C ATOM 25 CD2 LEU A 1 -8.193 -0.380 11.309 1.00 0.00 C ATOM 0 H LEU A 1 -6.635 -3.436 10.211 1.00 0.00 H new ATOM 0 HA LEU A 1 -8.293 -1.639 8.814 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -5.372 -1.251 9.532 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -6.534 0.006 9.157 1.00 0.00 H new ATOM 0 HG LEU A 1 -6.601 -1.784 11.612 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -6.026 0.327 12.796 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -4.769 -0.108 11.614 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -5.942 1.176 11.234 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -8.406 -0.278 12.373 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -8.349 0.579 10.814 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -8.860 -1.125 10.875 1.00 0.00 H new ATOM 37 N MET A 2 -6.748 -0.932 6.728 1.00 0.00 N ATOM 38 CA MET A 2 -6.078 -0.680 5.460 1.00 0.00 C ATOM 39 C MET A 2 -4.577 -0.817 5.664 1.00 0.00 C ATOM 40 O MET A 2 -3.943 -1.588 4.957 1.00 0.00 O ATOM 41 CB MET A 2 -6.433 0.733 4.962 1.00 0.00 C ATOM 42 CG MET A 2 -7.604 0.715 3.976 1.00 0.00 C ATOM 43 SD MET A 2 -8.784 2.083 4.103 1.00 0.00 S ATOM 44 CE MET A 2 -7.756 3.436 3.492 1.00 0.00 C ATOM 0 H MET A 2 -7.296 -0.133 7.047 1.00 0.00 H new ATOM 0 HA MET A 2 -6.404 -1.401 4.710 1.00 0.00 H new ATOM 0 HB2 MET A 2 -6.685 1.365 5.813 1.00 0.00 H new ATOM 0 HB3 MET A 2 -5.561 1.178 4.482 1.00 0.00 H new ATOM 0 HG2 MET A 2 -7.199 0.706 2.964 1.00 0.00 H new ATOM 0 HG3 MET A 2 -8.149 -0.220 4.109 1.00 0.00 H new ATOM 0 HE1 MET A 2 -8.312 4.371 3.553 1.00 0.00 H new ATOM 0 HE2 MET A 2 -6.854 3.510 4.099 1.00 0.00 H new ATOM 0 HE3 MET A 2 -7.481 3.244 2.455 1.00 0.00 H new ATOM 54 N GLY A 3 -4.000 -0.094 6.624 1.00 0.00 N ATOM 55 CA GLY A 3 -2.568 -0.121 6.875 1.00 0.00 C ATOM 56 C GLY A 3 -2.056 -1.522 7.204 1.00 0.00 C ATOM 57 O GLY A 3 -1.022 -1.935 6.673 1.00 0.00 O ATOM 0 H GLY A 3 -4.517 0.526 7.247 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -2.042 0.258 5.999 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.335 0.550 7.701 1.00 0.00 H new ATOM 61 N GLU A 4 -2.809 -2.279 8.011 1.00 0.00 N ATOM 62 CA GLU A 4 -2.510 -3.680 8.286 1.00 0.00 C ATOM 63 C GLU A 4 -2.543 -4.476 6.985 1.00 0.00 C ATOM 64 O GLU A 4 -1.581 -5.155 6.649 1.00 0.00 O ATOM 65 CB GLU A 4 -3.524 -4.299 9.260 1.00 0.00 C ATOM 66 CG GLU A 4 -3.561 -3.717 10.672 1.00 0.00 C ATOM 67 CD GLU A 4 -4.512 -4.552 11.535 1.00 0.00 C ATOM 68 OE1 GLU A 4 -4.105 -5.625 12.031 1.00 0.00 O ATOM 69 OE2 GLU A 4 -5.698 -4.177 11.683 1.00 0.00 O ATOM 0 H GLU A 4 -3.641 -1.933 8.489 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.520 -3.720 8.741 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.518 -4.200 8.825 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.315 -5.366 9.337 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.561 -3.719 11.105 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.894 -2.679 10.642 1.00 0.00 H new ATOM 76 N ARG A 5 -3.642 -4.393 6.233 1.00 0.00 N ATOM 77 CA ARG A 5 -3.853 -5.099 4.977 1.00 0.00 C ATOM 78 C ARG A 5 -2.746 -4.792 3.971 1.00 0.00 C ATOM 79 O ARG A 5 -2.310 -5.676 3.236 1.00 0.00 O ATOM 80 CB ARG A 5 -5.255 -4.698 4.499 1.00 0.00 C ATOM 81 CG ARG A 5 -5.577 -5.069 3.060 1.00 0.00 C ATOM 82 CD ARG A 5 -7.077 -5.061 2.740 1.00 0.00 C ATOM 83 NE ARG A 5 -7.800 -3.844 3.158 1.00 0.00 N ATOM 84 CZ ARG A 5 -8.450 -3.606 4.306 1.00 0.00 C ATOM 85 NH1 ARG A 5 -8.445 -4.485 5.300 1.00 0.00 N ATOM 86 NH2 ARG A 5 -9.106 -2.464 4.451 1.00 0.00 N ATOM 0 H ARG A 5 -4.436 -3.809 6.496 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.803 -6.181 5.100 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.992 -5.166 5.152 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.366 -3.620 4.613 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.069 -4.373 2.393 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -5.176 -6.061 2.852 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -7.204 -5.189 1.665 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -7.540 -5.923 3.221 1.00 0.00 H new ATOM 0 HE ARG A 5 -7.806 -3.081 2.482 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -7.939 -5.365 5.200 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -8.947 -4.281 6.164 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.112 -1.780 3.695 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.605 -2.269 5.319 1.00 0.00 H new ATOM 100 N ILE A 6 -2.266 -3.556 3.938 1.00 0.00 N ATOM 101 CA ILE A 6 -1.162 -3.137 3.099 1.00 0.00 C ATOM 102 C ILE A 6 0.115 -3.848 3.556 1.00 0.00 C ATOM 103 O ILE A 6 0.823 -4.393 2.703 1.00 0.00 O ATOM 104 CB ILE A 6 -1.060 -1.597 3.139 1.00 0.00 C ATOM 105 CG1 ILE A 6 -2.236 -0.965 2.367 1.00 0.00 C ATOM 106 CG2 ILE A 6 0.262 -1.118 2.526 1.00 0.00 C ATOM 107 CD1 ILE A 6 -2.481 0.499 2.729 1.00 0.00 C ATOM 0 H ILE A 6 -2.646 -2.802 4.510 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.321 -3.418 2.058 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.097 -1.286 4.183 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.041 -1.040 1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.142 -1.538 2.566 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.309 -0.030 2.567 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.097 -1.538 3.087 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.321 -1.445 1.488 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.322 0.881 2.150 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.707 0.578 3.792 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.589 1.084 2.503 1.00 0.00 H new ATOM 119 N ARG A 7 0.438 -3.837 4.861 1.00 0.00 N ATOM 120 CA ARG A 7 1.593 -4.591 5.369 1.00 0.00 C ATOM 121 C ARG A 7 1.439 -6.067 5.006 1.00 0.00 C ATOM 122 O ARG A 7 2.373 -6.662 4.483 1.00 0.00 O ATOM 123 CB ARG A 7 1.757 -4.427 6.897 1.00 0.00 C ATOM 124 CG ARG A 7 3.145 -4.924 7.357 1.00 0.00 C ATOM 125 CD ARG A 7 3.280 -5.120 8.873 1.00 0.00 C ATOM 126 NE ARG A 7 2.490 -6.265 9.365 1.00 0.00 N ATOM 127 CZ ARG A 7 2.557 -6.803 10.591 1.00 0.00 C ATOM 128 NH1 ARG A 7 3.334 -6.284 11.536 1.00 0.00 N ATOM 129 NH2 ARG A 7 1.828 -7.874 10.871 1.00 0.00 N ATOM 0 H ARG A 7 -0.078 -3.321 5.574 1.00 0.00 H new ATOM 0 HA ARG A 7 2.493 -4.191 4.902 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.632 -3.379 7.170 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.976 -4.986 7.413 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.361 -5.870 6.860 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.900 -4.211 7.027 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.330 -5.271 9.125 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.957 -4.213 9.384 1.00 0.00 H new ATOM 0 HE ARG A 7 1.831 -6.687 8.711 1.00 0.00 H new ATOM 0 HH11 ARG A 7 3.897 -5.457 11.336 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.367 -6.712 12.461 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.224 -8.281 10.157 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.871 -8.292 11.801 1.00 0.00 H new ATOM 143 N ALA A 8 0.259 -6.641 5.216 1.00 0.00 N ATOM 144 CA ALA A 8 -0.035 -8.040 4.975 1.00 0.00 C ATOM 145 C ALA A 8 0.258 -8.406 3.528 1.00 0.00 C ATOM 146 O ALA A 8 0.972 -9.374 3.274 1.00 0.00 O ATOM 147 CB ALA A 8 -1.494 -8.329 5.312 1.00 0.00 C ATOM 0 H ALA A 8 -0.544 -6.122 5.571 1.00 0.00 H new ATOM 0 HA ALA A 8 0.603 -8.648 5.616 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.708 -9.382 5.129 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.677 -8.099 6.361 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -2.141 -7.713 4.687 1.00 0.00 H new ATOM 153 N ARG A 9 -0.262 -7.632 2.573 1.00 0.00 N ATOM 154 CA ARG A 9 -0.053 -7.891 1.155 1.00 0.00 C ATOM 155 C ARG A 9 1.428 -7.730 0.797 1.00 0.00 C ATOM 156 O ARG A 9 1.960 -8.501 0.004 1.00 0.00 O ATOM 157 CB ARG A 9 -0.952 -6.953 0.335 1.00 0.00 C ATOM 158 CG ARG A 9 -1.462 -7.539 -0.989 1.00 0.00 C ATOM 159 CD ARG A 9 -0.344 -8.114 -1.857 1.00 0.00 C ATOM 160 NE ARG A 9 -0.807 -8.311 -3.227 1.00 0.00 N ATOM 161 CZ ARG A 9 -0.494 -9.366 -3.992 1.00 0.00 C ATOM 162 NH1 ARG A 9 0.524 -10.147 -3.652 1.00 0.00 N ATOM 163 NH2 ARG A 9 -1.185 -9.641 -5.088 1.00 0.00 N ATOM 0 H ARG A 9 -0.837 -6.812 2.764 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.327 -8.919 0.918 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.810 -6.671 0.945 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.399 -6.038 0.121 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.189 -8.323 -0.777 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.984 -6.762 -1.547 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.512 -7.440 -1.850 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.006 -9.063 -1.442 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.411 -7.595 -3.631 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.065 -9.943 -2.811 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.766 -10.951 -4.231 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.968 -9.046 -5.360 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.934 -10.448 -5.660 1.00 0.00 H new ATOM 177 N ARG A 10 2.120 -6.737 1.359 1.00 0.00 N ATOM 178 CA ARG A 10 3.558 -6.580 1.171 1.00 0.00 C ATOM 179 C ARG A 10 4.306 -7.827 1.618 1.00 0.00 C ATOM 180 O ARG A 10 5.086 -8.364 0.840 1.00 0.00 O ATOM 181 CB ARG A 10 4.018 -5.345 1.937 1.00 0.00 C ATOM 182 CG ARG A 10 5.460 -4.942 1.594 1.00 0.00 C ATOM 183 CD ARG A 10 5.653 -3.442 1.387 1.00 0.00 C ATOM 184 NE ARG A 10 5.103 -2.696 2.509 1.00 0.00 N ATOM 185 CZ ARG A 10 3.895 -2.162 2.650 1.00 0.00 C ATOM 186 NH1 ARG A 10 3.130 -1.904 1.601 1.00 0.00 N ATOM 187 NH2 ARG A 10 3.460 -1.871 3.855 1.00 0.00 N ATOM 0 H ARG A 10 1.699 -6.024 1.954 1.00 0.00 H new ATOM 0 HA ARG A 10 3.778 -6.446 0.112 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.349 -4.514 1.714 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.943 -5.537 3.007 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.120 -5.276 2.395 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.767 -5.466 0.689 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.714 -3.218 1.279 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.166 -3.131 0.463 1.00 0.00 H new ATOM 0 HE ARG A 10 5.735 -2.565 3.299 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.465 -2.116 0.661 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.205 -1.494 1.733 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.048 -2.055 4.668 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.534 -1.461 3.978 1.00 0.00 H new ATOM 201 N ILE A 11 4.029 -8.300 2.829 1.00 0.00 N ATOM 202 CA ILE A 11 4.562 -9.554 3.372 1.00 0.00 C ATOM 203 C ILE A 11 4.182 -10.740 2.473 1.00 0.00 C ATOM 204 O ILE A 11 4.967 -11.673 2.320 1.00 0.00 O ATOM 205 CB ILE A 11 4.038 -9.771 4.818 1.00 0.00 C ATOM 206 CG1 ILE A 11 4.552 -8.741 5.844 1.00 0.00 C ATOM 207 CG2 ILE A 11 4.304 -11.191 5.347 1.00 0.00 C ATOM 208 CD1 ILE A 11 6.045 -8.847 6.151 1.00 0.00 C ATOM 0 H ILE A 11 3.413 -7.813 3.480 1.00 0.00 H new ATOM 0 HA ILE A 11 5.650 -9.489 3.400 1.00 0.00 H new ATOM 0 HB ILE A 11 2.963 -9.624 4.718 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.340 -7.739 5.472 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.993 -8.861 6.772 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.915 -11.280 6.361 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.809 -11.918 4.703 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.377 -11.382 5.352 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.321 -8.086 6.881 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.264 -9.835 6.556 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.616 -8.695 5.235 1.00 0.00 H new ATOM 220 N GLN A 12 3.002 -10.725 1.852 1.00 0.00 N ATOM 221 CA GLN A 12 2.569 -11.769 0.930 1.00 0.00 C ATOM 222 C GLN A 12 3.488 -11.853 -0.290 1.00 0.00 C ATOM 223 O GLN A 12 3.767 -12.938 -0.802 1.00 0.00 O ATOM 224 CB GLN A 12 1.122 -11.491 0.504 1.00 0.00 C ATOM 225 CG GLN A 12 0.335 -12.712 0.030 1.00 0.00 C ATOM 226 CD GLN A 12 -0.721 -12.265 -0.977 1.00 0.00 C ATOM 227 OE1 GLN A 12 -0.664 -12.637 -2.144 1.00 0.00 O ATOM 228 NE2 GLN A 12 -1.636 -11.386 -0.602 1.00 0.00 N ATOM 0 H GLN A 12 2.316 -9.981 1.978 1.00 0.00 H new ATOM 0 HA GLN A 12 2.621 -12.732 1.437 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.593 -11.042 1.345 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.132 -10.752 -0.297 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.007 -13.438 -0.427 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.139 -13.206 0.878 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.680 -11.079 0.370 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.297 -11.015 -1.285 1.00 0.00 H new ATOM 237 N LEU A 13 3.979 -10.701 -0.743 1.00 0.00 N ATOM 238 CA LEU A 13 4.984 -10.592 -1.790 1.00 0.00 C ATOM 239 C LEU A 13 6.413 -10.662 -1.212 1.00 0.00 C ATOM 240 O LEU A 13 7.386 -10.746 -1.965 1.00 0.00 O ATOM 241 CB LEU A 13 4.668 -9.316 -2.585 1.00 0.00 C ATOM 242 CG LEU A 13 5.408 -9.160 -3.925 1.00 0.00 C ATOM 243 CD1 LEU A 13 5.328 -10.404 -4.819 1.00 0.00 C ATOM 244 CD2 LEU A 13 4.796 -7.977 -4.694 1.00 0.00 C ATOM 0 H LEU A 13 3.679 -9.796 -0.380 1.00 0.00 H new ATOM 0 HA LEU A 13 4.948 -11.438 -2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.596 -9.288 -2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.902 -8.454 -1.960 1.00 0.00 H new ATOM 0 HG LEU A 13 6.459 -8.998 -3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.872 -10.221 -5.746 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.771 -11.254 -4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.285 -10.622 -5.047 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.312 -7.856 -5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.739 -8.169 -4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.903 -7.066 -4.105 1.00 0.00 H new ATOM 256 N GLY A 14 6.537 -10.673 0.119 1.00 0.00 N ATOM 257 CA GLY A 14 7.737 -10.839 0.927 1.00 0.00 C ATOM 258 C GLY A 14 8.831 -9.867 0.519 1.00 0.00 C ATOM 259 O GLY A 14 9.993 -10.255 0.391 1.00 0.00 O ATOM 0 H GLY A 14 5.715 -10.554 0.710 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.491 -10.689 1.978 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.103 -11.861 0.828 1.00 0.00 H new ATOM 263 N LEU A 15 8.451 -8.615 0.259 1.00 0.00 N ATOM 264 CA LEU A 15 9.338 -7.519 -0.085 1.00 0.00 C ATOM 265 C LEU A 15 9.197 -6.349 0.880 1.00 0.00 C ATOM 266 O LEU A 15 8.205 -6.254 1.601 1.00 0.00 O ATOM 267 CB LEU A 15 9.147 -7.219 -1.580 1.00 0.00 C ATOM 268 CG LEU A 15 8.284 -5.986 -1.870 1.00 0.00 C ATOM 269 CD1 LEU A 15 8.558 -5.439 -3.270 1.00 0.00 C ATOM 270 CD2 LEU A 15 6.804 -6.348 -1.788 1.00 0.00 C ATOM 0 H LEU A 15 7.471 -8.332 0.286 1.00 0.00 H new ATOM 0 HA LEU A 15 10.388 -7.783 0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.126 -7.079 -2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.692 -8.087 -2.058 1.00 0.00 H new ATOM 0 HG LEU A 15 8.536 -5.230 -1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.932 -4.565 -3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.608 -5.156 -3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.330 -6.205 -4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.201 -5.464 -1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.578 -7.122 -2.521 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.574 -6.717 -0.788 1.00 0.00 H new ATOM 282 N ASN A 16 10.168 -5.445 0.871 1.00 0.00 N ATOM 283 CA ASN A 16 10.292 -4.418 1.907 1.00 0.00 C ATOM 284 C ASN A 16 9.507 -3.157 1.533 1.00 0.00 C ATOM 285 O ASN A 16 9.119 -2.987 0.371 1.00 0.00 O ATOM 286 CB ASN A 16 11.765 -4.076 2.181 1.00 0.00 C ATOM 287 CG ASN A 16 12.630 -5.303 2.455 1.00 0.00 C ATOM 288 OD1 ASN A 16 12.209 -6.229 3.145 1.00 0.00 O ATOM 289 ND2 ASN A 16 13.835 -5.364 1.919 1.00 0.00 N ATOM 0 H ASN A 16 10.890 -5.399 0.152 1.00 0.00 H new ATOM 0 HA ASN A 16 9.864 -4.826 2.823 1.00 0.00 H new ATOM 0 HB2 ASN A 16 12.171 -3.538 1.324 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.821 -3.402 3.036 1.00 0.00 H new ATOM 0 HD21 ASN A 16 14.422 -6.183 2.077 1.00 0.00 H new ATOM 0 HD22 ASN A 16 14.179 -4.592 1.347 1.00 0.00 H new ATOM 296 N GLN A 17 9.317 -2.220 2.478 1.00 0.00 N ATOM 297 CA GLN A 17 8.715 -0.920 2.200 1.00 0.00 C ATOM 298 C GLN A 17 9.423 -0.224 1.044 1.00 0.00 C ATOM 299 O GLN A 17 8.762 0.174 0.089 1.00 0.00 O ATOM 300 CB GLN A 17 8.763 0.009 3.428 1.00 0.00 C ATOM 301 CG GLN A 17 8.054 -0.505 4.677 1.00 0.00 C ATOM 302 CD GLN A 17 7.894 0.603 5.723 1.00 0.00 C ATOM 303 OE1 GLN A 17 8.723 1.496 5.880 1.00 0.00 O ATOM 304 NE2 GLN A 17 6.798 0.561 6.446 1.00 0.00 N ATOM 0 H GLN A 17 9.579 -2.350 3.455 1.00 0.00 H new ATOM 0 HA GLN A 17 7.675 -1.113 1.938 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.807 0.197 3.677 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.324 0.968 3.152 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.073 -0.896 4.406 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.620 -1.332 5.105 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.121 -0.188 6.302 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.624 1.277 7.151 1.00 0.00 H new ATOM 313 N ALA A 18 10.747 -0.077 1.144 1.00 0.00 N ATOM 314 CA ALA A 18 11.555 0.676 0.198 1.00 0.00 C ATOM 315 C ALA A 18 11.377 0.131 -1.212 1.00 0.00 C ATOM 316 O ALA A 18 11.260 0.897 -2.167 1.00 0.00 O ATOM 317 CB ALA A 18 13.031 0.620 0.611 1.00 0.00 C ATOM 0 H ALA A 18 11.292 -0.488 1.902 1.00 0.00 H new ATOM 0 HA ALA A 18 11.225 1.715 0.205 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.630 1.186 -0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.147 1.051 1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.366 -0.417 0.624 1.00 0.00 H new ATOM 323 N GLU A 19 11.348 -1.191 -1.323 1.00 0.00 N ATOM 324 CA GLU A 19 11.262 -1.900 -2.582 1.00 0.00 C ATOM 325 C GLU A 19 9.903 -1.731 -3.226 1.00 0.00 C ATOM 326 O GLU A 19 9.826 -1.412 -4.418 1.00 0.00 O ATOM 327 CB GLU A 19 11.506 -3.390 -2.354 1.00 0.00 C ATOM 328 CG GLU A 19 12.819 -3.628 -1.628 1.00 0.00 C ATOM 329 CD GLU A 19 13.122 -5.110 -1.505 1.00 0.00 C ATOM 330 OE1 GLU A 19 12.298 -5.853 -0.931 1.00 0.00 O ATOM 331 OE2 GLU A 19 14.197 -5.524 -1.990 1.00 0.00 O ATOM 0 H GLU A 19 11.385 -1.812 -0.514 1.00 0.00 H new ATOM 0 HA GLU A 19 12.020 -1.482 -3.245 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.685 -3.811 -1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.518 -3.910 -3.312 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.628 -3.133 -2.165 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.774 -3.180 -0.635 1.00 0.00 H new ATOM 338 N LEU A 20 8.838 -1.935 -2.438 1.00 0.00 N ATOM 339 CA LEU A 20 7.491 -1.714 -2.922 1.00 0.00 C ATOM 340 C LEU A 20 7.411 -0.280 -3.418 1.00 0.00 C ATOM 341 O LEU A 20 7.012 -0.043 -4.552 1.00 0.00 O ATOM 342 CB LEU A 20 6.444 -1.989 -1.829 1.00 0.00 C ATOM 343 CG LEU A 20 5.026 -1.856 -2.423 1.00 0.00 C ATOM 344 CD1 LEU A 20 4.659 -3.122 -3.199 1.00 0.00 C ATOM 345 CD2 LEU A 20 3.945 -1.638 -1.370 1.00 0.00 C ATOM 0 H LEU A 20 8.894 -2.251 -1.470 1.00 0.00 H new ATOM 0 HA LEU A 20 7.269 -2.406 -3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.585 -2.989 -1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.571 -1.287 -1.005 1.00 0.00 H new ATOM 0 HG LEU A 20 5.060 -0.979 -3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.656 -3.017 -3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.373 -3.272 -4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.686 -3.981 -2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.974 -1.553 -1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.933 -2.483 -0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.155 -0.722 -0.817 1.00 0.00 H new ATOM 357 N ALA A 21 7.825 0.651 -2.565 1.00 0.00 N ATOM 358 CA ALA A 21 7.797 2.071 -2.822 1.00 0.00 C ATOM 359 C ALA A 21 8.411 2.387 -4.178 1.00 0.00 C ATOM 360 O ALA A 21 7.725 2.964 -5.023 1.00 0.00 O ATOM 361 CB ALA A 21 8.502 2.830 -1.700 1.00 0.00 C ATOM 0 H ALA A 21 8.201 0.421 -1.645 1.00 0.00 H new ATOM 0 HA ALA A 21 6.758 2.399 -2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.472 3.899 -1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.999 2.631 -0.754 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.539 2.502 -1.635 1.00 0.00 H new ATOM 367 N GLN A 22 9.657 1.959 -4.407 1.00 0.00 N ATOM 368 CA GLN A 22 10.367 2.316 -5.626 1.00 0.00 C ATOM 369 C GLN A 22 9.657 1.773 -6.863 1.00 0.00 C ATOM 370 O GLN A 22 9.519 2.491 -7.855 1.00 0.00 O ATOM 371 CB GLN A 22 11.835 1.851 -5.576 1.00 0.00 C ATOM 372 CG GLN A 22 12.817 3.016 -5.739 1.00 0.00 C ATOM 373 CD GLN A 22 12.887 3.893 -4.492 1.00 0.00 C ATOM 374 OE1 GLN A 22 13.659 3.626 -3.578 1.00 0.00 O ATOM 375 NE2 GLN A 22 12.082 4.933 -4.387 1.00 0.00 N ATOM 0 H GLN A 22 10.186 1.369 -3.765 1.00 0.00 H new ATOM 0 HA GLN A 22 10.367 3.404 -5.698 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.023 1.349 -4.627 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.009 1.118 -6.364 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.809 2.623 -5.961 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.517 3.625 -6.592 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.438 5.158 -5.145 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.103 5.512 -3.547 1.00 0.00 H new ATOM 384 N LYS A 23 9.185 0.521 -6.830 1.00 0.00 N ATOM 385 CA LYS A 23 8.557 -0.079 -7.999 1.00 0.00 C ATOM 386 C LYS A 23 7.133 0.445 -8.221 1.00 0.00 C ATOM 387 O LYS A 23 6.636 0.333 -9.343 1.00 0.00 O ATOM 388 CB LYS A 23 8.763 -1.611 -7.964 1.00 0.00 C ATOM 389 CG LYS A 23 7.536 -2.526 -8.067 1.00 0.00 C ATOM 390 CD LYS A 23 6.796 -2.607 -6.730 1.00 0.00 C ATOM 391 CE LYS A 23 5.510 -3.420 -6.847 1.00 0.00 C ATOM 392 NZ LYS A 23 5.752 -4.851 -7.131 1.00 0.00 N ATOM 0 H LYS A 23 9.228 -0.086 -6.012 1.00 0.00 H new ATOM 0 HA LYS A 23 9.049 0.241 -8.918 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.438 -1.872 -8.779 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.278 -1.853 -7.034 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.862 -2.151 -8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.848 -3.524 -8.375 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.446 -3.059 -5.981 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.561 -1.601 -6.382 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.945 -3.330 -5.919 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.891 -2.998 -7.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.843 -5.353 -7.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.251 -4.945 -8.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.332 -5.262 -6.372 1.00 0.00 H new ATOM 406 N VAL A 24 6.473 1.033 -7.213 1.00 0.00 N ATOM 407 CA VAL A 24 5.245 1.803 -7.412 1.00 0.00 C ATOM 408 C VAL A 24 5.603 3.183 -7.992 1.00 0.00 C ATOM 409 O VAL A 24 4.850 3.710 -8.817 1.00 0.00 O ATOM 410 CB VAL A 24 4.485 1.987 -6.084 1.00 0.00 C ATOM 411 CG1 VAL A 24 3.122 2.644 -6.328 1.00 0.00 C ATOM 412 CG2 VAL A 24 4.240 0.719 -5.245 1.00 0.00 C ATOM 0 H VAL A 24 6.778 0.986 -6.241 1.00 0.00 H new ATOM 0 HA VAL A 24 4.601 1.258 -8.103 1.00 0.00 H new ATOM 0 HB VAL A 24 5.162 2.614 -5.503 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.601 2.765 -5.378 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.266 3.621 -6.790 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.528 2.014 -6.990 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.697 0.983 -4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.653 0.007 -5.825 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.196 0.269 -4.978 1.00 0.00 H new ATOM 422 N GLY A 25 6.715 3.774 -7.541 1.00 0.00 N ATOM 423 CA GLY A 25 7.115 5.141 -7.840 1.00 0.00 C ATOM 424 C GLY A 25 6.770 6.130 -6.730 1.00 0.00 C ATOM 425 O GLY A 25 6.595 7.312 -7.015 1.00 0.00 O ATOM 0 H GLY A 25 7.380 3.291 -6.937 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.190 5.166 -8.018 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.631 5.459 -8.763 1.00 0.00 H new ATOM 429 N VAL A 26 6.553 5.658 -5.502 1.00 0.00 N ATOM 430 CA VAL A 26 6.334 6.432 -4.296 1.00 0.00 C ATOM 431 C VAL A 26 7.579 6.380 -3.394 1.00 0.00 C ATOM 432 O VAL A 26 8.560 5.712 -3.722 1.00 0.00 O ATOM 433 CB VAL A 26 5.051 5.913 -3.622 1.00 0.00 C ATOM 434 CG1 VAL A 26 3.846 5.965 -4.572 1.00 0.00 C ATOM 435 CG2 VAL A 26 5.148 4.516 -3.004 1.00 0.00 C ATOM 0 H VAL A 26 6.525 4.655 -5.319 1.00 0.00 H new ATOM 0 HA VAL A 26 6.186 7.488 -4.520 1.00 0.00 H new ATOM 0 HB VAL A 26 4.908 6.603 -2.790 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.961 5.590 -4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.674 6.995 -4.886 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.046 5.347 -5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.191 4.249 -2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.401 3.792 -3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.921 4.511 -2.236 1.00 0.00 H new ATOM 445 N ASP A 27 7.553 7.074 -2.256 1.00 0.00 N ATOM 446 CA ASP A 27 8.591 7.054 -1.233 1.00 0.00 C ATOM 447 C ASP A 27 8.354 5.876 -0.283 1.00 0.00 C ATOM 448 O ASP A 27 7.211 5.475 -0.058 1.00 0.00 O ATOM 449 CB ASP A 27 8.583 8.350 -0.387 1.00 0.00 C ATOM 450 CG ASP A 27 7.348 9.251 -0.436 1.00 0.00 C ATOM 451 OD1 ASP A 27 6.977 9.710 -1.538 1.00 0.00 O ATOM 452 OD2 ASP A 27 6.729 9.491 0.623 1.00 0.00 O ATOM 0 H ASP A 27 6.776 7.689 -2.015 1.00 0.00 H new ATOM 0 HA ASP A 27 9.550 6.964 -1.744 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.745 8.067 0.653 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.441 8.949 -0.691 1.00 0.00 H new ATOM 457 N GLN A 28 9.413 5.376 0.367 1.00 0.00 N ATOM 458 CA GLN A 28 9.291 4.477 1.517 1.00 0.00 C ATOM 459 C GLN A 28 8.396 5.138 2.575 1.00 0.00 C ATOM 460 O GLN A 28 7.559 4.477 3.185 1.00 0.00 O ATOM 461 CB GLN A 28 10.669 4.174 2.119 1.00 0.00 C ATOM 462 CG GLN A 28 10.558 3.018 3.126 1.00 0.00 C ATOM 463 CD GLN A 28 11.743 2.966 4.070 1.00 0.00 C ATOM 464 OE1 GLN A 28 12.674 2.193 3.872 1.00 0.00 O ATOM 465 NE2 GLN A 28 11.710 3.797 5.096 1.00 0.00 N ATOM 0 H GLN A 28 10.377 5.585 0.109 1.00 0.00 H new ATOM 0 HA GLN A 28 8.848 3.537 1.188 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.371 3.912 1.328 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.063 5.062 2.614 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.640 3.128 3.703 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.484 2.074 2.586 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.914 4.422 5.220 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.481 3.813 5.764 1.00 0.00 H new ATOM 474 N GLN A 29 8.552 6.448 2.776 1.00 0.00 N ATOM 475 CA GLN A 29 7.772 7.241 3.712 1.00 0.00 C ATOM 476 C GLN A 29 6.273 7.073 3.411 1.00 0.00 C ATOM 477 O GLN A 29 5.462 6.971 4.333 1.00 0.00 O ATOM 478 CB GLN A 29 8.209 8.717 3.651 1.00 0.00 C ATOM 479 CG GLN A 29 8.416 9.312 5.049 1.00 0.00 C ATOM 480 CD GLN A 29 9.643 8.704 5.748 1.00 0.00 C ATOM 481 OE1 GLN A 29 10.562 8.191 5.115 1.00 0.00 O ATOM 482 NE2 GLN A 29 9.695 8.732 7.065 1.00 0.00 N ATOM 0 H GLN A 29 9.248 6.998 2.273 1.00 0.00 H new ATOM 0 HA GLN A 29 7.950 6.890 4.728 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.135 8.798 3.082 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.455 9.297 3.118 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.540 10.392 4.970 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.527 9.136 5.655 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.935 9.157 7.596 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.495 8.329 7.552 1.00 0.00 H new ATOM 491 N ALA A 30 5.878 7.102 2.132 1.00 0.00 N ATOM 492 CA ALA A 30 4.510 6.852 1.693 1.00 0.00 C ATOM 493 C ALA A 30 4.010 5.484 2.144 1.00 0.00 C ATOM 494 O ALA A 30 2.845 5.363 2.512 1.00 0.00 O ATOM 495 CB ALA A 30 4.385 6.958 0.170 1.00 0.00 C ATOM 0 H ALA A 30 6.517 7.304 1.363 1.00 0.00 H new ATOM 0 HA ALA A 30 3.892 7.620 2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.353 6.766 -0.125 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.674 7.959 -0.150 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.039 6.224 -0.301 1.00 0.00 H new ATOM 501 N ILE A 31 4.858 4.457 2.119 1.00 0.00 N ATOM 502 CA ILE A 31 4.491 3.132 2.590 1.00 0.00 C ATOM 503 C ILE A 31 4.320 3.143 4.113 1.00 0.00 C ATOM 504 O ILE A 31 3.356 2.572 4.616 1.00 0.00 O ATOM 505 CB ILE A 31 5.535 2.095 2.123 1.00 0.00 C ATOM 506 CG1 ILE A 31 5.756 2.072 0.603 1.00 0.00 C ATOM 507 CG2 ILE A 31 5.125 0.703 2.602 1.00 0.00 C ATOM 508 CD1 ILE A 31 4.511 2.009 -0.281 1.00 0.00 C ATOM 0 H ILE A 31 5.815 4.524 1.772 1.00 0.00 H new ATOM 0 HA ILE A 31 3.533 2.842 2.159 1.00 0.00 H new ATOM 0 HB ILE A 31 6.484 2.396 2.566 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.320 2.964 0.330 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.383 1.213 0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.863 -0.028 2.271 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.069 0.695 3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 31 4.150 0.448 2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.809 1.998 -1.329 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.949 1.103 -0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.885 2.881 -0.091 1.00 0.00 H new ATOM 520 N GLU A 32 5.222 3.793 4.846 1.00 0.00 N ATOM 521 CA GLU A 32 5.197 3.853 6.305 1.00 0.00 C ATOM 522 C GLU A 32 3.932 4.523 6.800 1.00 0.00 C ATOM 523 O GLU A 32 3.238 3.996 7.676 1.00 0.00 O ATOM 524 CB GLU A 32 6.443 4.612 6.790 1.00 0.00 C ATOM 525 CG GLU A 32 6.512 4.688 8.318 1.00 0.00 C ATOM 526 CD GLU A 32 7.026 3.377 8.905 1.00 0.00 C ATOM 527 OE1 GLU A 32 6.314 2.349 8.814 1.00 0.00 O ATOM 528 OE2 GLU A 32 8.136 3.365 9.478 1.00 0.00 O ATOM 0 H GLU A 32 6.005 4.302 4.435 1.00 0.00 H new ATOM 0 HA GLU A 32 5.206 2.841 6.709 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.338 4.119 6.411 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.436 5.621 6.377 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.167 5.506 8.616 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.523 4.908 8.720 1.00 0.00 H new ATOM 535 N GLN A 33 3.631 5.697 6.257 1.00 0.00 N ATOM 536 CA GLN A 33 2.443 6.396 6.676 1.00 0.00 C ATOM 537 C GLN A 33 1.209 5.577 6.312 1.00 0.00 C ATOM 538 O GLN A 33 0.262 5.537 7.085 1.00 0.00 O ATOM 539 CB GLN A 33 2.451 7.817 6.127 1.00 0.00 C ATOM 540 CG GLN A 33 2.174 7.874 4.633 1.00 0.00 C ATOM 541 CD GLN A 33 2.539 9.257 4.131 1.00 0.00 C ATOM 542 OE1 GLN A 33 1.711 10.165 4.110 1.00 0.00 O ATOM 543 NE2 GLN A 33 3.806 9.458 3.838 1.00 0.00 N ATOM 0 H GLN A 33 4.185 6.169 5.542 1.00 0.00 H new ATOM 0 HA GLN A 33 2.418 6.505 7.760 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.702 8.409 6.653 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.419 8.274 6.330 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.756 7.115 4.110 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.123 7.663 4.434 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.465 8.680 3.866 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.129 10.391 3.583 1.00 0.00 H new ATOM 552 N LEU A 34 1.214 4.873 5.179 1.00 0.00 N ATOM 553 CA LEU A 34 0.085 4.064 4.774 1.00 0.00 C ATOM 554 C LEU A 34 -0.092 2.908 5.752 1.00 0.00 C ATOM 555 O LEU A 34 -1.225 2.573 6.074 1.00 0.00 O ATOM 556 CB LEU A 34 0.360 3.498 3.382 1.00 0.00 C ATOM 557 CG LEU A 34 -0.439 4.278 2.339 1.00 0.00 C ATOM 558 CD1 LEU A 34 0.089 3.905 0.955 1.00 0.00 C ATOM 559 CD2 LEU A 34 -1.950 4.038 2.368 1.00 0.00 C ATOM 0 H LEU A 34 1.998 4.853 4.527 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.819 4.674 4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.425 3.560 3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.088 2.443 3.348 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.301 5.333 2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.468 4.451 0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.146 4.164 0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.033 2.834 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.428 4.635 1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.154 2.982 2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.345 4.326 3.342 1.00 0.00 H new ATOM 571 N GLU A 35 1.009 2.319 6.228 1.00 0.00 N ATOM 572 CA GLU A 35 0.983 1.220 7.193 1.00 0.00 C ATOM 573 C GLU A 35 0.322 1.660 8.491 1.00 0.00 C ATOM 574 O GLU A 35 -0.452 0.889 9.060 1.00 0.00 O ATOM 575 CB GLU A 35 2.385 0.677 7.519 1.00 0.00 C ATOM 576 CG GLU A 35 2.835 -0.398 6.531 1.00 0.00 C ATOM 577 CD GLU A 35 4.139 -1.098 6.944 1.00 0.00 C ATOM 578 OE1 GLU A 35 4.387 -1.369 8.135 1.00 0.00 O ATOM 579 OE2 GLU A 35 4.933 -1.439 6.039 1.00 0.00 O ATOM 0 H GLU A 35 1.951 2.595 5.951 1.00 0.00 H new ATOM 0 HA GLU A 35 0.409 0.422 6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.101 1.498 7.510 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.387 0.264 8.528 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.046 -1.144 6.433 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.970 0.055 5.549 1.00 0.00 H new ATOM 586 N ASN A 36 0.598 2.877 8.973 1.00 0.00 N ATOM 587 CA ASN A 36 -0.084 3.362 10.159 1.00 0.00 C ATOM 588 C ASN A 36 -1.501 3.863 9.836 1.00 0.00 C ATOM 589 O ASN A 36 -2.321 4.011 10.743 1.00 0.00 O ATOM 590 CB ASN A 36 0.788 4.396 10.873 1.00 0.00 C ATOM 591 CG ASN A 36 0.770 5.788 10.278 1.00 0.00 C ATOM 592 OD1 ASN A 36 -0.281 6.334 10.000 1.00 0.00 O ATOM 593 ND2 ASN A 36 1.933 6.388 10.085 1.00 0.00 N ATOM 0 H ASN A 36 1.273 3.524 8.566 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.230 2.535 10.853 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.467 4.460 11.913 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.817 4.036 10.879 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.962 7.330 9.695 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.800 5.909 10.326 1.00 0.00 H new ATOM 600 N GLY A 37 -1.820 4.093 8.559 1.00 0.00 N ATOM 601 CA GLY A 37 -3.117 4.540 8.078 1.00 0.00 C ATOM 602 C GLY A 37 -3.178 6.027 7.731 1.00 0.00 C ATOM 603 O GLY A 37 -4.261 6.495 7.372 1.00 0.00 O ATOM 0 H GLY A 37 -1.146 3.965 7.804 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.383 3.961 7.194 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.868 4.325 8.838 1.00 0.00 H new ATOM 607 N LYS A 38 -2.069 6.780 7.773 1.00 0.00 N ATOM 608 CA LYS A 38 -2.038 8.245 7.700 1.00 0.00 C ATOM 609 C LYS A 38 -2.329 8.755 6.285 1.00 0.00 C ATOM 610 O LYS A 38 -2.500 9.967 6.119 1.00 0.00 O ATOM 611 CB LYS A 38 -0.630 8.750 8.110 1.00 0.00 C ATOM 612 CG LYS A 38 -0.487 9.407 9.499 1.00 0.00 C ATOM 613 CD LYS A 38 0.557 10.532 9.493 1.00 0.00 C ATOM 614 CE LYS A 38 -0.017 11.843 8.943 1.00 0.00 C ATOM 615 NZ LYS A 38 1.038 12.845 8.702 1.00 0.00 N ATOM 0 H LYS A 38 -1.139 6.371 7.862 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.808 8.621 8.374 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.057 7.905 8.065 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.299 9.470 7.361 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.451 9.808 9.813 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.203 8.651 10.231 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.923 10.693 10.507 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.413 10.229 8.890 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.549 11.645 8.013 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.745 12.245 9.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.610 13.717 8.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.529 13.053 9.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.720 12.472 8.011 1.00 0.00 H new ATOM 629 N ALA A 39 -2.364 7.898 5.260 1.00 0.00 N ATOM 630 CA ALA A 39 -2.920 8.232 3.963 1.00 0.00 C ATOM 631 C ALA A 39 -4.244 7.482 3.822 1.00 0.00 C ATOM 632 O ALA A 39 -4.232 6.271 3.592 1.00 0.00 O ATOM 633 CB ALA A 39 -1.913 7.814 2.900 1.00 0.00 C ATOM 0 H ALA A 39 -2.002 6.946 5.317 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.111 9.299 3.851 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.306 8.054 1.912 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.976 8.348 3.057 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.736 6.741 2.969 1.00 0.00 H new ATOM 639 N LYS A 40 -5.376 8.174 3.990 1.00 0.00 N ATOM 640 CA LYS A 40 -6.702 7.569 3.842 1.00 0.00 C ATOM 641 C LYS A 40 -6.900 7.171 2.386 1.00 0.00 C ATOM 642 O LYS A 40 -6.945 5.981 2.087 1.00 0.00 O ATOM 643 CB LYS A 40 -7.786 8.503 4.409 1.00 0.00 C ATOM 644 CG LYS A 40 -9.156 7.832 4.610 1.00 0.00 C ATOM 645 CD LYS A 40 -10.010 7.774 3.334 1.00 0.00 C ATOM 646 CE LYS A 40 -11.440 7.349 3.689 1.00 0.00 C ATOM 647 NZ LYS A 40 -12.381 7.556 2.569 1.00 0.00 N ATOM 0 H LYS A 40 -5.398 9.165 4.231 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.787 6.655 4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.444 8.899 5.365 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.905 9.353 3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.003 6.818 4.980 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.706 8.373 5.380 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.020 8.749 2.847 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.576 7.068 2.626 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.444 6.297 3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.780 7.915 4.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.334 7.255 2.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.399 8.564 2.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.073 6.996 1.749 1.00 0.00 H new ATOM 661 N ARG A 41 -6.953 8.122 1.451 1.00 0.00 N ATOM 662 CA ARG A 41 -6.849 7.830 0.028 1.00 0.00 C ATOM 663 C ARG A 41 -5.609 8.581 -0.451 1.00 0.00 C ATOM 664 O ARG A 41 -5.697 9.793 -0.667 1.00 0.00 O ATOM 665 CB ARG A 41 -8.143 8.250 -0.691 1.00 0.00 C ATOM 666 CG ARG A 41 -8.013 8.284 -2.227 1.00 0.00 C ATOM 667 CD ARG A 41 -9.180 9.008 -2.895 1.00 0.00 C ATOM 668 NE ARG A 41 -10.441 8.252 -2.823 1.00 0.00 N ATOM 669 CZ ARG A 41 -11.431 8.336 -3.719 1.00 0.00 C ATOM 670 NH1 ARG A 41 -11.398 9.278 -4.654 1.00 0.00 N ATOM 671 NH2 ARG A 41 -12.449 7.485 -3.680 1.00 0.00 N ATOM 0 H ARG A 41 -7.069 9.113 1.663 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.739 6.767 -0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.941 7.560 -0.418 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.441 9.237 -0.338 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.080 8.777 -2.499 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.957 7.264 -2.607 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.317 9.980 -2.421 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.934 9.196 -3.940 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.569 7.619 -2.034 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.619 9.936 -4.688 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.152 9.344 -5.338 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -12.481 6.760 -2.963 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.200 7.556 -4.367 1.00 0.00 H new ATOM 685 N PRO A 42 -4.449 7.922 -0.594 1.00 0.00 N ATOM 686 CA PRO A 42 -3.267 8.569 -1.132 1.00 0.00 C ATOM 687 C PRO A 42 -3.503 8.965 -2.588 1.00 0.00 C ATOM 688 O PRO A 42 -4.261 8.314 -3.319 1.00 0.00 O ATOM 689 CB PRO A 42 -2.122 7.561 -1.013 1.00 0.00 C ATOM 690 CG PRO A 42 -2.830 6.214 -0.921 1.00 0.00 C ATOM 691 CD PRO A 42 -4.182 6.532 -0.285 1.00 0.00 C ATOM 0 HA PRO A 42 -3.028 9.482 -0.587 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.458 7.606 -1.877 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.511 7.752 -0.131 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.951 5.762 -1.905 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.263 5.508 -0.314 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.963 5.886 -0.685 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.155 6.370 0.792 1.00 0.00 H new ATOM 699 N ARG A 43 -2.767 9.979 -3.042 1.00 0.00 N ATOM 700 CA ARG A 43 -2.824 10.486 -4.411 1.00 0.00 C ATOM 701 C ARG A 43 -2.536 9.428 -5.480 1.00 0.00 C ATOM 702 O ARG A 43 -2.890 9.624 -6.637 1.00 0.00 O ATOM 703 CB ARG A 43 -1.880 11.707 -4.513 1.00 0.00 C ATOM 704 CG ARG A 43 -0.376 11.390 -4.589 1.00 0.00 C ATOM 705 CD ARG A 43 0.112 11.212 -6.033 1.00 0.00 C ATOM 706 NE ARG A 43 1.509 10.769 -6.098 1.00 0.00 N ATOM 707 CZ ARG A 43 2.054 10.025 -7.068 1.00 0.00 C ATOM 708 NH1 ARG A 43 1.356 9.706 -8.159 1.00 0.00 N ATOM 709 NH2 ARG A 43 3.292 9.579 -6.924 1.00 0.00 N ATOM 0 H ARG A 43 -2.101 10.481 -2.455 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.849 10.790 -4.623 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.155 12.282 -5.397 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.053 12.349 -3.649 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.186 12.194 -4.115 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.170 10.481 -4.024 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.521 10.485 -6.541 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.007 12.156 -6.569 1.00 0.00 H new ATOM 0 HE ARG A 43 2.121 11.054 -5.334 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.394 10.030 -8.262 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.784 9.138 -8.890 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.820 9.803 -6.081 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.718 9.011 -7.656 1.00 0.00 H new ATOM 723 N PHE A 44 -1.871 8.335 -5.109 1.00 0.00 N ATOM 724 CA PHE A 44 -1.390 7.285 -5.996 1.00 0.00 C ATOM 725 C PHE A 44 -2.155 5.971 -5.797 1.00 0.00 C ATOM 726 O PHE A 44 -1.698 4.945 -6.288 1.00 0.00 O ATOM 727 CB PHE A 44 0.116 7.086 -5.732 1.00 0.00 C ATOM 728 CG PHE A 44 0.462 6.817 -4.279 1.00 0.00 C ATOM 729 CD1 PHE A 44 0.093 5.599 -3.682 1.00 0.00 C ATOM 730 CD2 PHE A 44 1.135 7.782 -3.507 1.00 0.00 C ATOM 731 CE1 PHE A 44 0.357 5.355 -2.330 1.00 0.00 C ATOM 732 CE2 PHE A 44 1.421 7.526 -2.155 1.00 0.00 C ATOM 733 CZ PHE A 44 1.020 6.319 -1.557 1.00 0.00 C ATOM 0 H PHE A 44 -1.643 8.152 -4.132 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.558 7.586 -7.030 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.473 6.254 -6.339 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.652 7.975 -6.063 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.400 4.842 -4.274 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.432 8.720 -3.954 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.050 4.422 -1.881 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.953 8.262 -1.571 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.221 6.136 -0.512 1.00 0.00 H new ATOM 743 N LEU A 45 -3.247 5.930 -5.022 1.00 0.00 N ATOM 744 CA LEU A 45 -3.841 4.697 -4.521 1.00 0.00 C ATOM 745 C LEU A 45 -3.977 3.555 -5.549 1.00 0.00 C ATOM 746 O LEU A 45 -3.538 2.456 -5.207 1.00 0.00 O ATOM 747 CB LEU A 45 -5.147 5.074 -3.801 1.00 0.00 C ATOM 748 CG LEU A 45 -5.849 3.892 -3.132 1.00 0.00 C ATOM 749 CD1 LEU A 45 -4.991 3.128 -2.113 1.00 0.00 C ATOM 750 CD2 LEU A 45 -7.134 4.374 -2.450 1.00 0.00 C ATOM 0 H LEU A 45 -3.745 6.769 -4.725 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.150 4.239 -3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.929 5.829 -3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.828 5.529 -4.520 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.064 3.186 -3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.572 2.308 -1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.106 2.729 -2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.685 3.805 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.632 3.529 -1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.887 5.122 -1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.798 4.814 -3.194 1.00 0.00 H new ATOM 762 N PRO A 46 -4.488 3.747 -6.781 1.00 0.00 N ATOM 763 CA PRO A 46 -4.543 2.656 -7.749 1.00 0.00 C ATOM 764 C PRO A 46 -3.175 2.203 -8.252 1.00 0.00 C ATOM 765 O PRO A 46 -3.028 1.023 -8.547 1.00 0.00 O ATOM 766 CB PRO A 46 -5.415 3.148 -8.902 1.00 0.00 C ATOM 767 CG PRO A 46 -5.279 4.665 -8.822 1.00 0.00 C ATOM 768 CD PRO A 46 -5.128 4.935 -7.327 1.00 0.00 C ATOM 0 HA PRO A 46 -4.958 1.771 -7.267 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.068 2.763 -9.861 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.451 2.830 -8.787 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.414 5.020 -9.383 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.154 5.168 -9.234 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.524 5.824 -7.148 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.097 5.109 -6.860 1.00 0.00 H new ATOM 776 N GLU A 47 -2.167 3.075 -8.316 1.00 0.00 N ATOM 777 CA GLU A 47 -0.822 2.700 -8.714 1.00 0.00 C ATOM 778 C GLU A 47 -0.256 1.777 -7.649 1.00 0.00 C ATOM 779 O GLU A 47 0.288 0.727 -7.981 1.00 0.00 O ATOM 780 CB GLU A 47 0.074 3.939 -8.857 1.00 0.00 C ATOM 781 CG GLU A 47 -0.253 4.794 -10.080 1.00 0.00 C ATOM 782 CD GLU A 47 0.275 4.151 -11.359 1.00 0.00 C ATOM 783 OE1 GLU A 47 -0.455 3.329 -11.953 1.00 0.00 O ATOM 784 OE2 GLU A 47 1.410 4.496 -11.776 1.00 0.00 O ATOM 0 H GLU A 47 -2.268 4.065 -8.091 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.855 2.199 -9.681 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.022 4.551 -7.960 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.114 3.620 -8.915 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.332 4.928 -10.156 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.184 5.786 -9.961 1.00 0.00 H new ATOM 791 N LEU A 48 -0.400 2.138 -6.366 1.00 0.00 N ATOM 792 CA LEU A 48 0.076 1.277 -5.296 1.00 0.00 C ATOM 793 C LEU A 48 -0.677 -0.032 -5.302 1.00 0.00 C ATOM 794 O LEU A 48 -0.040 -1.072 -5.194 1.00 0.00 O ATOM 795 CB LEU A 48 0.002 1.948 -3.925 1.00 0.00 C ATOM 796 CG LEU A 48 0.651 1.048 -2.844 1.00 0.00 C ATOM 797 CD1 LEU A 48 1.575 1.842 -1.925 1.00 0.00 C ATOM 798 CD2 LEU A 48 -0.394 0.331 -1.983 1.00 0.00 C ATOM 0 H LEU A 48 -0.836 3.007 -6.056 1.00 0.00 H new ATOM 0 HA LEU A 48 1.131 1.078 -5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.510 2.912 -3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.038 2.145 -3.666 1.00 0.00 H new ATOM 0 HG LEU A 48 1.232 0.305 -3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.010 1.174 -1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.371 2.297 -2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.005 2.623 -1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.109 -0.288 -1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.018 1.069 -1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.018 -0.299 -2.617 1.00 0.00 H new ATOM 810 N ALA A 49 -2.002 0.009 -5.415 1.00 0.00 N ATOM 811 CA ALA A 49 -2.780 -1.229 -5.445 1.00 0.00 C ATOM 812 C ALA A 49 -2.337 -2.133 -6.600 1.00 0.00 C ATOM 813 O ALA A 49 -2.009 -3.295 -6.369 1.00 0.00 O ATOM 814 CB ALA A 49 -4.279 -0.917 -5.513 1.00 0.00 C ATOM 0 H ALA A 49 -2.551 0.866 -5.486 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.593 -1.776 -4.521 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.844 -1.849 -5.535 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.570 -0.337 -4.637 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.491 -0.343 -6.415 1.00 0.00 H new ATOM 820 N ARG A 50 -2.256 -1.605 -7.820 1.00 0.00 N ATOM 821 CA ARG A 50 -1.819 -2.319 -9.017 1.00 0.00 C ATOM 822 C ARG A 50 -0.404 -2.870 -8.847 1.00 0.00 C ATOM 823 O ARG A 50 -0.150 -4.022 -9.210 1.00 0.00 O ATOM 824 CB ARG A 50 -1.933 -1.324 -10.179 1.00 0.00 C ATOM 825 CG ARG A 50 -1.631 -1.867 -11.576 1.00 0.00 C ATOM 826 CD ARG A 50 -1.905 -0.710 -12.549 1.00 0.00 C ATOM 827 NE ARG A 50 -1.664 -1.061 -13.952 1.00 0.00 N ATOM 828 CZ ARG A 50 -2.495 -1.732 -14.756 1.00 0.00 C ATOM 829 NH1 ARG A 50 -3.611 -2.286 -14.294 1.00 0.00 N ATOM 830 NH2 ARG A 50 -2.206 -1.843 -16.045 1.00 0.00 N ATOM 0 H ARG A 50 -2.502 -0.633 -8.008 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.441 -3.193 -9.212 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.945 -0.918 -10.182 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.257 -0.492 -9.983 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.596 -2.201 -11.649 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.261 -2.727 -11.805 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.940 -0.387 -12.435 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.275 0.138 -12.281 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.775 -0.764 -14.354 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.850 -2.204 -13.306 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.229 -2.793 -14.928 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.356 -1.418 -16.415 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.834 -2.353 -16.666 1.00 0.00 H new ATOM 844 N ALA A 51 0.514 -2.077 -8.293 1.00 0.00 N ATOM 845 CA ALA A 51 1.884 -2.473 -8.006 1.00 0.00 C ATOM 846 C ALA A 51 1.943 -3.555 -6.918 1.00 0.00 C ATOM 847 O ALA A 51 2.818 -4.420 -6.961 1.00 0.00 O ATOM 848 CB ALA A 51 2.687 -1.231 -7.600 1.00 0.00 C ATOM 0 H ALA A 51 0.314 -1.113 -8.025 1.00 0.00 H new ATOM 0 HA ALA A 51 2.323 -2.909 -8.903 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.716 -1.518 -7.383 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.676 -0.508 -8.416 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.240 -0.783 -6.712 1.00 0.00 H new ATOM 854 N LEU A 52 1.052 -3.511 -5.924 1.00 0.00 N ATOM 855 CA LEU A 52 0.944 -4.530 -4.882 1.00 0.00 C ATOM 856 C LEU A 52 0.388 -5.814 -5.493 1.00 0.00 C ATOM 857 O LEU A 52 0.858 -6.898 -5.160 1.00 0.00 O ATOM 858 CB LEU A 52 0.072 -3.991 -3.725 1.00 0.00 C ATOM 859 CG LEU A 52 0.299 -4.559 -2.308 1.00 0.00 C ATOM 860 CD1 LEU A 52 1.747 -4.925 -1.949 1.00 0.00 C ATOM 861 CD2 LEU A 52 -0.145 -3.519 -1.262 1.00 0.00 C ATOM 0 H LEU A 52 0.376 -2.754 -5.821 1.00 0.00 H new ATOM 0 HA LEU A 52 1.923 -4.765 -4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.215 -2.912 -3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.972 -4.163 -3.988 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.282 -5.481 -2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.783 -5.313 -0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.112 -5.685 -2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.375 -4.037 -2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.015 -3.919 -0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.438 -2.607 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.203 -3.294 -1.398 1.00 0.00 H new ATOM 873 N GLY A 53 -0.576 -5.678 -6.406 1.00 0.00 N ATOM 874 CA GLY A 53 -1.256 -6.736 -7.136 1.00 0.00 C ATOM 875 C GLY A 53 -2.673 -6.950 -6.616 1.00 0.00 C ATOM 876 O GLY A 53 -3.067 -8.100 -6.443 1.00 0.00 O ATOM 0 H GLY A 53 -0.923 -4.756 -6.670 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.290 -6.485 -8.196 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.690 -7.663 -7.046 1.00 0.00 H new ATOM 880 N VAL A 54 -3.398 -5.885 -6.265 1.00 0.00 N ATOM 881 CA VAL A 54 -4.800 -5.939 -5.845 1.00 0.00 C ATOM 882 C VAL A 54 -5.529 -4.717 -6.429 1.00 0.00 C ATOM 883 O VAL A 54 -4.899 -3.838 -7.029 1.00 0.00 O ATOM 884 CB VAL A 54 -4.911 -6.030 -4.299 1.00 0.00 C ATOM 885 CG1 VAL A 54 -4.071 -7.165 -3.697 1.00 0.00 C ATOM 886 CG2 VAL A 54 -4.495 -4.725 -3.612 1.00 0.00 C ATOM 0 H VAL A 54 -3.017 -4.939 -6.265 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.280 -6.839 -6.229 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.966 -6.232 -4.115 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.193 -7.173 -2.614 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.402 -8.119 -4.107 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.020 -7.010 -3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.589 -4.836 -2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.460 -4.495 -3.864 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.140 -3.914 -3.951 1.00 0.00 H new ATOM 896 N ALA A 55 -6.847 -4.629 -6.243 1.00 0.00 N ATOM 897 CA ALA A 55 -7.631 -3.446 -6.574 1.00 0.00 C ATOM 898 C ALA A 55 -7.638 -2.455 -5.407 1.00 0.00 C ATOM 899 O ALA A 55 -7.486 -2.842 -4.246 1.00 0.00 O ATOM 900 CB ALA A 55 -9.069 -3.859 -6.897 1.00 0.00 C ATOM 0 H ALA A 55 -7.404 -5.389 -5.853 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.179 -2.963 -7.440 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.655 -2.974 -7.144 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.069 -4.543 -7.746 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.508 -4.355 -6.031 1.00 0.00 H new ATOM 906 N VAL A 56 -7.938 -1.187 -5.689 1.00 0.00 N ATOM 907 CA VAL A 56 -8.279 -0.186 -4.685 1.00 0.00 C ATOM 908 C VAL A 56 -9.447 -0.671 -3.832 1.00 0.00 C ATOM 909 O VAL A 56 -9.392 -0.475 -2.627 1.00 0.00 O ATOM 910 CB VAL A 56 -8.582 1.145 -5.401 1.00 0.00 C ATOM 911 CG1 VAL A 56 -9.215 2.191 -4.485 1.00 0.00 C ATOM 912 CG2 VAL A 56 -7.284 1.711 -5.990 1.00 0.00 C ATOM 0 H VAL A 56 -7.950 -0.822 -6.642 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.444 -0.024 -4.004 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.307 0.926 -6.185 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.403 3.104 -5.050 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.156 1.808 -4.091 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.538 2.409 -3.659 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.495 2.652 -6.497 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.566 1.883 -5.189 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.868 1.000 -6.703 1.00 0.00 H new ATOM 922 N ASP A 57 -10.461 -1.334 -4.393 1.00 0.00 N ATOM 923 CA ASP A 57 -11.577 -1.840 -3.587 1.00 0.00 C ATOM 924 C ASP A 57 -11.093 -2.834 -2.533 1.00 0.00 C ATOM 925 O ASP A 57 -11.506 -2.771 -1.378 1.00 0.00 O ATOM 926 CB ASP A 57 -12.636 -2.500 -4.475 1.00 0.00 C ATOM 927 CG ASP A 57 -13.954 -2.702 -3.727 1.00 0.00 C ATOM 928 OD1 ASP A 57 -14.041 -3.565 -2.827 1.00 0.00 O ATOM 929 OD2 ASP A 57 -14.929 -1.982 -4.040 1.00 0.00 O ATOM 0 H ASP A 57 -10.534 -1.532 -5.391 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.025 -0.986 -3.078 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.809 -1.882 -5.356 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.266 -3.463 -4.828 1.00 0.00 H new ATOM 934 N TRP A 58 -10.157 -3.715 -2.895 1.00 0.00 N ATOM 935 CA TRP A 58 -9.572 -4.632 -1.932 1.00 0.00 C ATOM 936 C TRP A 58 -8.772 -3.859 -0.900 1.00 0.00 C ATOM 937 O TRP A 58 -8.869 -4.143 0.286 1.00 0.00 O ATOM 938 CB TRP A 58 -8.692 -5.655 -2.630 1.00 0.00 C ATOM 939 CG TRP A 58 -8.115 -6.710 -1.739 1.00 0.00 C ATOM 940 CD1 TRP A 58 -8.685 -7.908 -1.526 1.00 0.00 C ATOM 941 CD2 TRP A 58 -6.888 -6.713 -0.948 1.00 0.00 C ATOM 942 NE1 TRP A 58 -7.932 -8.637 -0.630 1.00 0.00 N ATOM 943 CE2 TRP A 58 -6.773 -7.974 -0.296 1.00 0.00 C ATOM 944 CE3 TRP A 58 -5.849 -5.789 -0.734 1.00 0.00 C ATOM 945 CZ2 TRP A 58 -5.658 -8.322 0.479 1.00 0.00 C ATOM 946 CZ3 TRP A 58 -4.724 -6.121 0.047 1.00 0.00 C ATOM 947 CH2 TRP A 58 -4.628 -7.386 0.652 1.00 0.00 C ATOM 0 H TRP A 58 -9.794 -3.807 -3.844 1.00 0.00 H new ATOM 0 HA TRP A 58 -10.376 -5.166 -1.426 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -9.276 -6.141 -3.411 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -7.874 -5.131 -3.123 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -9.599 -8.250 -1.989 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -8.199 -9.550 -0.262 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -5.915 -4.806 -1.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.593 -9.298 0.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -3.931 -5.400 0.181 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -3.763 -7.637 1.249 1.00 0.00 H new ATOM 958 N LEU A 59 -7.986 -2.873 -1.320 1.00 0.00 N ATOM 959 CA LEU A 59 -7.257 -2.042 -0.382 1.00 0.00 C ATOM 960 C LEU A 59 -8.191 -1.348 0.599 1.00 0.00 C ATOM 961 O LEU A 59 -7.938 -1.384 1.801 1.00 0.00 O ATOM 962 CB LEU A 59 -6.363 -1.063 -1.140 1.00 0.00 C ATOM 963 CG LEU A 59 -4.931 -1.577 -1.360 1.00 0.00 C ATOM 964 CD1 LEU A 59 -4.066 -0.380 -1.733 1.00 0.00 C ATOM 965 CD2 LEU A 59 -4.276 -2.255 -0.145 1.00 0.00 C ATOM 0 H LEU A 59 -7.841 -2.634 -2.301 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.612 -2.678 0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.815 -0.847 -2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.322 -0.122 -0.591 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.001 -2.341 -2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.040 -0.709 -1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.450 0.077 -2.645 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.088 0.351 -0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.269 -2.580 -0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.224 -1.547 0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.870 -3.119 0.153 1.00 0.00 H new ATOM 977 N LEU A 60 -9.282 -0.772 0.114 1.00 0.00 N ATOM 978 CA LEU A 60 -10.268 -0.075 0.916 1.00 0.00 C ATOM 979 C LEU A 60 -10.942 -1.034 1.888 1.00 0.00 C ATOM 980 O LEU A 60 -11.030 -0.738 3.079 1.00 0.00 O ATOM 981 CB LEU A 60 -11.299 0.558 -0.027 1.00 0.00 C ATOM 982 CG LEU A 60 -10.769 1.820 -0.737 1.00 0.00 C ATOM 983 CD1 LEU A 60 -11.728 2.228 -1.857 1.00 0.00 C ATOM 984 CD2 LEU A 60 -10.571 3.002 0.220 1.00 0.00 C ATOM 0 H LEU A 60 -9.509 -0.779 -0.880 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.784 0.703 1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.597 -0.176 -0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.193 0.815 0.541 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.791 1.566 -1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.348 3.120 -2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.810 1.416 -2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.711 2.439 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.197 3.862 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.523 3.257 0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.852 2.728 0.992 1.00 0.00 H new ATOM 996 N ASN A 61 -11.430 -2.163 1.384 1.00 0.00 N ATOM 997 CA ASN A 61 -12.419 -3.003 2.052 1.00 0.00 C ATOM 998 C ASN A 61 -11.849 -4.373 2.410 1.00 0.00 C ATOM 999 O ASN A 61 -11.964 -4.815 3.555 1.00 0.00 O ATOM 1000 CB ASN A 61 -13.644 -3.157 1.139 1.00 0.00 C ATOM 1001 CG ASN A 61 -14.157 -1.806 0.651 1.00 0.00 C ATOM 1002 OD1 ASN A 61 -14.410 -0.899 1.445 1.00 0.00 O ATOM 1003 ND2 ASN A 61 -14.244 -1.617 -0.652 1.00 0.00 N ATOM 0 H ASN A 61 -11.141 -2.529 0.477 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.708 -2.521 2.986 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.384 -3.778 0.282 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.437 -3.674 1.679 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.525 -0.707 -1.018 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.030 -2.381 -1.293 1.00 0.00 H new ATOM 1010 N GLY A 62 -11.212 -5.041 1.450 1.00 0.00 N ATOM 1011 CA GLY A 62 -10.600 -6.352 1.606 1.00 0.00 C ATOM 1012 C GLY A 62 -11.585 -7.437 1.200 1.00 0.00 C ATOM 1013 O GLY A 62 -12.231 -8.028 2.064 1.00 0.00 O ATOM 0 H GLY A 62 -11.106 -4.666 0.507 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.701 -6.418 0.994 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.292 -6.498 2.641 1.00 0.00 H new ATOM 1017 N ALA A 63 -11.691 -7.688 -0.109 1.00 0.00 N ATOM 1018 CA ALA A 63 -12.582 -8.678 -0.714 1.00 0.00 C ATOM 1019 C ALA A 63 -12.713 -9.961 0.109 1.00 0.00 C ATOM 1020 O ALA A 63 -11.715 -10.672 0.292 1.00 0.00 O ATOM 1021 CB ALA A 63 -12.145 -8.995 -2.146 1.00 0.00 C ATOM 0 H ALA A 63 -11.136 -7.186 -0.802 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.574 -8.226 -0.733 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -12.821 -9.733 -2.578 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.172 -8.085 -2.745 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.130 -9.393 -2.137 1.00 0.00 H new TER 1027 ALA A 63