USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 390 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 LYS NZ :NH3+ 157:sc= -0.0334 (180deg=-2.42!) USER MOD Set 1.2: A 19 SER OG : rot -160:sc= -0.818 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 122:sc= 1.29 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 35:sc= 0.965 USER MOD Single : A 25 MET CE :methyl 160:sc= -4.18! (180deg=-4.62!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -4.04 K(o=-4,f=-5.1!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0229) USER MOD Single : A 47 ASN : amide:sc= -0.398 X(o=-0.4,f=-0.54) USER MOD Single : A 50 GLN : amide:sc= -0.0437 K(o=-0.044,f=-0.64) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 7 -2.367 8.547 -8.105 1.00 0.00 N ATOM 2 CA GLU A 7 -1.579 9.599 -7.476 1.00 0.00 C ATOM 3 C GLU A 7 -1.953 9.754 -6.005 1.00 0.00 C ATOM 4 O GLU A 7 -2.926 10.431 -5.671 1.00 0.00 O ATOM 5 CB GLU A 7 -1.783 10.925 -8.210 1.00 0.00 C ATOM 6 CG GLU A 7 -1.001 12.082 -7.610 1.00 0.00 C ATOM 7 CD GLU A 7 -1.180 13.373 -8.385 1.00 0.00 C ATOM 8 OE1 GLU A 7 -2.216 13.516 -9.069 1.00 0.00 O ATOM 9 OE2 GLU A 7 -0.284 14.239 -8.310 1.00 0.00 O ATOM 0 HA GLU A 7 -0.528 9.317 -7.536 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -1.490 10.802 -9.253 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.844 11.174 -8.204 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.320 12.235 -6.579 1.00 0.00 H new ATOM 0 HG3 GLU A 7 0.058 11.824 -7.582 1.00 0.00 H new ATOM 14 N LEU A 8 -1.175 9.125 -5.131 1.00 0.00 N ATOM 15 CA LEU A 8 -1.424 9.196 -3.696 1.00 0.00 C ATOM 16 C LEU A 8 -0.364 8.417 -2.922 1.00 0.00 C ATOM 17 O LEU A 8 0.491 9.003 -2.260 1.00 0.00 O ATOM 18 CB LEU A 8 -2.818 8.653 -3.371 1.00 0.00 C ATOM 19 CG LEU A 8 -3.672 9.555 -2.478 1.00 0.00 C ATOM 20 CD1 LEU A 8 -3.945 10.883 -3.168 1.00 0.00 C ATOM 21 CD2 LEU A 8 -4.977 8.863 -2.116 1.00 0.00 C ATOM 0 H LEU A 8 -0.367 8.560 -5.391 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.372 10.242 -3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.352 8.482 -4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.709 7.684 -2.885 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.121 9.752 -1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.554 11.512 -2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.000 11.385 -3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.477 10.705 -4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.572 9.519 -1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.533 8.636 -3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.762 7.937 -1.582 1.00 0.00 H new ATOM 32 N VAL A 9 -0.429 7.089 -3.012 1.00 0.00 N ATOM 33 CA VAL A 9 0.525 6.223 -2.323 1.00 0.00 C ATOM 34 C VAL A 9 0.495 4.808 -2.895 1.00 0.00 C ATOM 35 O VAL A 9 0.128 3.855 -2.207 1.00 0.00 O ATOM 36 CB VAL A 9 0.244 6.160 -0.808 1.00 0.00 C ATOM 37 CG1 VAL A 9 0.851 7.363 -0.101 1.00 0.00 C ATOM 38 CG2 VAL A 9 -1.251 6.071 -0.539 1.00 0.00 C ATOM 0 H VAL A 9 -1.133 6.590 -3.556 1.00 0.00 H new ATOM 0 HA VAL A 9 1.513 6.656 -2.480 1.00 0.00 H new ATOM 0 HB VAL A 9 0.712 5.259 -0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.642 7.301 0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.929 7.373 -0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.417 8.278 -0.503 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.425 6.028 0.536 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.748 6.949 -0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.652 5.173 -1.008 1.00 0.00 H new ATOM 48 N LEU A 10 0.884 4.678 -4.159 1.00 0.00 N ATOM 49 CA LEU A 10 0.904 3.381 -4.826 1.00 0.00 C ATOM 50 C LEU A 10 1.855 2.417 -4.120 1.00 0.00 C ATOM 51 O LEU A 10 2.750 2.837 -3.388 1.00 0.00 O ATOM 52 CB LEU A 10 1.318 3.544 -6.289 1.00 0.00 C ATOM 53 CG LEU A 10 2.556 4.417 -6.516 1.00 0.00 C ATOM 54 CD1 LEU A 10 3.753 3.557 -6.890 1.00 0.00 C ATOM 55 CD2 LEU A 10 2.288 5.456 -7.596 1.00 0.00 C ATOM 0 H LEU A 10 1.190 5.456 -4.743 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.102 2.964 -4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.506 2.556 -6.710 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.483 3.973 -6.842 1.00 0.00 H new ATOM 0 HG LEU A 10 2.783 4.939 -5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.623 4.194 -7.048 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.960 2.852 -6.085 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.535 3.008 -7.806 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.179 6.066 -7.743 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.035 4.953 -8.529 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.458 6.093 -7.290 1.00 0.00 H new ATOM 66 N ALA A 11 1.652 1.121 -4.349 1.00 0.00 N ATOM 67 CA ALA A 11 2.489 0.090 -3.739 1.00 0.00 C ATOM 68 C ALA A 11 3.884 0.065 -4.361 1.00 0.00 C ATOM 69 O ALA A 11 4.832 -0.438 -3.759 1.00 0.00 O ATOM 70 CB ALA A 11 1.827 -1.274 -3.872 1.00 0.00 C ATOM 0 H ALA A 11 0.914 0.760 -4.953 1.00 0.00 H new ATOM 0 HA ALA A 11 2.599 0.330 -2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.461 -2.033 -3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.859 -1.259 -3.371 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.686 -1.509 -4.927 1.00 0.00 H new ATOM 76 N LEU A 12 4.002 0.613 -5.571 1.00 0.00 N ATOM 77 CA LEU A 12 5.283 0.657 -6.281 1.00 0.00 C ATOM 78 C LEU A 12 5.652 -0.713 -6.843 1.00 0.00 C ATOM 79 O LEU A 12 6.805 -0.951 -7.207 1.00 0.00 O ATOM 80 CB LEU A 12 6.398 1.154 -5.357 1.00 0.00 C ATOM 81 CG LEU A 12 6.009 2.313 -4.438 1.00 0.00 C ATOM 82 CD1 LEU A 12 6.622 2.129 -3.058 1.00 0.00 C ATOM 83 CD2 LEU A 12 6.444 3.639 -5.046 1.00 0.00 C ATOM 0 H LEU A 12 3.225 1.033 -6.081 1.00 0.00 H new ATOM 0 HA LEU A 12 5.172 1.353 -7.112 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.738 0.321 -4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.245 1.464 -5.969 1.00 0.00 H new ATOM 0 HG LEU A 12 4.924 2.322 -4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.334 2.963 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.263 1.197 -2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.708 2.095 -3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.160 4.455 -4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.526 3.640 -5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.958 3.773 -6.012 1.00 0.00 H new ATOM 94 N TYR A 13 4.674 -1.614 -6.917 1.00 0.00 N ATOM 95 CA TYR A 13 4.910 -2.957 -7.441 1.00 0.00 C ATOM 96 C TYR A 13 3.646 -3.808 -7.352 1.00 0.00 C ATOM 97 O TYR A 13 2.956 -4.013 -8.350 1.00 0.00 O ATOM 98 CB TYR A 13 6.057 -3.634 -6.683 1.00 0.00 C ATOM 99 CG TYR A 13 7.170 -4.130 -7.583 1.00 0.00 C ATOM 100 CD1 TYR A 13 7.608 -3.373 -8.662 1.00 0.00 C ATOM 101 CD2 TYR A 13 7.781 -5.355 -7.349 1.00 0.00 C ATOM 102 CE1 TYR A 13 8.625 -3.824 -9.484 1.00 0.00 C ATOM 103 CE2 TYR A 13 8.796 -5.813 -8.168 1.00 0.00 C ATOM 104 CZ TYR A 13 9.215 -5.044 -9.232 1.00 0.00 C ATOM 105 OH TYR A 13 10.227 -5.496 -10.048 1.00 0.00 O ATOM 0 H TYR A 13 3.714 -1.439 -6.622 1.00 0.00 H new ATOM 0 HA TYR A 13 5.188 -2.865 -8.491 1.00 0.00 H new ATOM 0 HB2 TYR A 13 6.471 -2.929 -5.962 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.659 -4.475 -6.114 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.147 -2.417 -8.862 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.458 -5.959 -6.514 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.955 -3.223 -10.319 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.259 -6.770 -7.975 1.00 0.00 H new ATOM 0 HH TYR A 13 10.535 -6.371 -9.733 1.00 0.00 H new ATOM 114 N ASP A 14 3.347 -4.302 -6.152 1.00 0.00 N ATOM 115 CA ASP A 14 2.166 -5.136 -5.933 1.00 0.00 C ATOM 116 C ASP A 14 2.202 -5.778 -4.550 1.00 0.00 C ATOM 117 O ASP A 14 1.163 -5.971 -3.919 1.00 0.00 O ATOM 118 CB ASP A 14 2.066 -6.228 -7.005 1.00 0.00 C ATOM 119 CG ASP A 14 3.402 -6.891 -7.281 1.00 0.00 C ATOM 120 OD1 ASP A 14 3.942 -7.542 -6.362 1.00 0.00 O ATOM 121 OD2 ASP A 14 3.906 -6.760 -8.417 1.00 0.00 O ATOM 0 H ASP A 14 3.907 -4.139 -5.315 1.00 0.00 H new ATOM 0 HA ASP A 14 1.289 -4.492 -5.999 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.348 -6.983 -6.685 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.682 -5.793 -7.928 1.00 0.00 H new ATOM 125 N TYR A 15 3.406 -6.109 -4.088 1.00 0.00 N ATOM 126 CA TYR A 15 3.596 -6.736 -2.778 1.00 0.00 C ATOM 127 C TYR A 15 3.032 -8.154 -2.756 1.00 0.00 C ATOM 128 O TYR A 15 3.770 -9.120 -2.557 1.00 0.00 O ATOM 129 CB TYR A 15 2.945 -5.900 -1.672 1.00 0.00 C ATOM 130 CG TYR A 15 3.117 -6.497 -0.294 1.00 0.00 C ATOM 131 CD1 TYR A 15 4.353 -6.967 0.129 1.00 0.00 C ATOM 132 CD2 TYR A 15 2.043 -6.596 0.581 1.00 0.00 C ATOM 133 CE1 TYR A 15 4.515 -7.518 1.386 1.00 0.00 C ATOM 134 CE2 TYR A 15 2.196 -7.147 1.840 1.00 0.00 C ATOM 135 CZ TYR A 15 3.433 -7.605 2.237 1.00 0.00 C ATOM 136 OH TYR A 15 3.591 -8.153 3.490 1.00 0.00 O ATOM 0 H TYR A 15 4.272 -5.953 -4.604 1.00 0.00 H new ATOM 0 HA TYR A 15 4.669 -6.788 -2.595 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.374 -4.898 -1.683 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.881 -5.794 -1.884 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.202 -6.901 -0.535 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.072 -6.237 0.273 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.483 -7.878 1.700 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.351 -7.218 2.508 1.00 0.00 H new ATOM 0 HH TYR A 15 3.327 -7.498 4.169 1.00 0.00 H new ATOM 145 N GLN A 16 1.720 -8.272 -2.955 1.00 0.00 N ATOM 146 CA GLN A 16 1.045 -9.570 -2.955 1.00 0.00 C ATOM 147 C GLN A 16 1.510 -10.440 -1.788 1.00 0.00 C ATOM 148 O GLN A 16 2.456 -11.218 -1.917 1.00 0.00 O ATOM 149 CB GLN A 16 1.272 -10.301 -4.282 1.00 0.00 C ATOM 150 CG GLN A 16 2.728 -10.372 -4.712 1.00 0.00 C ATOM 151 CD GLN A 16 2.926 -11.205 -5.964 1.00 0.00 C ATOM 152 OE1 GLN A 16 2.444 -10.852 -7.040 1.00 0.00 O ATOM 153 NE2 GLN A 16 3.638 -12.318 -5.827 1.00 0.00 N ATOM 0 H GLN A 16 1.100 -7.479 -3.119 1.00 0.00 H new ATOM 0 HA GLN A 16 -0.022 -9.384 -2.835 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.880 -11.314 -4.198 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.698 -9.801 -5.062 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.101 -9.363 -4.889 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.322 -10.794 -3.901 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.018 -12.571 -4.915 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.804 -12.920 -6.634 1.00 0.00 H new ATOM 160 N GLU A 17 0.837 -10.301 -0.650 1.00 0.00 N ATOM 161 CA GLU A 17 1.177 -11.073 0.540 1.00 0.00 C ATOM 162 C GLU A 17 1.095 -12.571 0.261 1.00 0.00 C ATOM 163 O GLU A 17 2.099 -13.280 0.326 1.00 0.00 O ATOM 164 CB GLU A 17 0.247 -10.704 1.697 1.00 0.00 C ATOM 165 CG GLU A 17 0.537 -11.468 2.979 1.00 0.00 C ATOM 166 CD GLU A 17 1.915 -11.171 3.535 1.00 0.00 C ATOM 167 OE1 GLU A 17 2.912 -11.553 2.885 1.00 0.00 O ATOM 168 OE2 GLU A 17 1.999 -10.556 4.619 1.00 0.00 O ATOM 0 H GLU A 17 0.053 -9.661 -0.527 1.00 0.00 H new ATOM 0 HA GLU A 17 2.203 -10.831 0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.332 -9.635 1.894 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.784 -10.892 1.397 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.215 -11.215 3.727 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.449 -12.538 2.788 1.00 0.00 H new ATOM 173 N LYS A 18 -0.107 -13.045 -0.050 1.00 0.00 N ATOM 174 CA LYS A 18 -0.321 -14.458 -0.338 1.00 0.00 C ATOM 175 C LYS A 18 -1.768 -14.718 -0.743 1.00 0.00 C ATOM 176 O LYS A 18 -2.672 -14.689 0.091 1.00 0.00 O ATOM 177 CB LYS A 18 0.043 -15.309 0.880 1.00 0.00 C ATOM 178 CG LYS A 18 0.803 -16.579 0.529 1.00 0.00 C ATOM 179 CD LYS A 18 -0.057 -17.537 -0.278 1.00 0.00 C ATOM 180 CE LYS A 18 -0.928 -18.399 0.623 1.00 0.00 C ATOM 181 NZ LYS A 18 -2.138 -17.668 1.090 1.00 0.00 N ATOM 0 H LYS A 18 -0.948 -12.471 -0.109 1.00 0.00 H new ATOM 0 HA LYS A 18 0.325 -14.735 -1.171 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.646 -14.711 1.563 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.870 -15.577 1.412 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.697 -16.324 -0.040 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.136 -17.070 1.444 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.688 -16.971 -0.963 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.582 -18.176 -0.887 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.232 -19.296 0.084 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.346 -18.726 1.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.876 -18.351 1.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.894 -17.084 1.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.491 -17.057 0.326 1.00 0.00 H new ATOM 191 N SER A 19 -1.980 -14.973 -2.031 1.00 0.00 N ATOM 192 CA SER A 19 -3.317 -15.239 -2.548 1.00 0.00 C ATOM 193 C SER A 19 -4.246 -14.055 -2.290 1.00 0.00 C ATOM 194 O SER A 19 -3.965 -13.207 -1.443 1.00 0.00 O ATOM 195 CB SER A 19 -3.893 -16.503 -1.905 1.00 0.00 C ATOM 196 OG SER A 19 -2.864 -17.323 -1.378 1.00 0.00 O ATOM 0 H SER A 19 -1.243 -15.001 -2.735 1.00 0.00 H new ATOM 0 HA SER A 19 -3.240 -15.390 -3.625 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.585 -16.227 -1.110 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.465 -17.063 -2.645 1.00 0.00 H new ATOM 0 HG SER A 19 -3.199 -18.237 -1.265 1.00 0.00 H new ATOM 201 N PRO A 20 -5.373 -13.981 -3.021 1.00 0.00 N ATOM 202 CA PRO A 20 -6.346 -12.892 -2.867 1.00 0.00 C ATOM 203 C PRO A 20 -7.090 -12.964 -1.537 1.00 0.00 C ATOM 204 O PRO A 20 -8.308 -13.139 -1.501 1.00 0.00 O ATOM 205 CB PRO A 20 -7.313 -13.110 -4.034 1.00 0.00 C ATOM 206 CG PRO A 20 -7.212 -14.562 -4.344 1.00 0.00 C ATOM 207 CD PRO A 20 -5.789 -14.951 -4.052 1.00 0.00 C ATOM 0 HA PRO A 20 -5.866 -11.913 -2.872 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.331 -12.834 -3.761 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -7.037 -12.501 -4.895 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.907 -15.140 -3.735 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.463 -14.757 -5.387 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -5.719 -15.977 -3.690 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.164 -14.884 -4.942 1.00 0.00 H new ATOM 212 N ARG A 21 -6.347 -12.828 -0.443 1.00 0.00 N ATOM 213 CA ARG A 21 -6.934 -12.877 0.891 1.00 0.00 C ATOM 214 C ARG A 21 -6.391 -11.752 1.765 1.00 0.00 C ATOM 215 O ARG A 21 -7.142 -10.893 2.227 1.00 0.00 O ATOM 216 CB ARG A 21 -6.652 -14.231 1.546 1.00 0.00 C ATOM 217 CG ARG A 21 -7.685 -14.632 2.586 1.00 0.00 C ATOM 218 CD ARG A 21 -7.226 -14.284 3.993 1.00 0.00 C ATOM 219 NE ARG A 21 -7.608 -15.308 4.962 1.00 0.00 N ATOM 220 CZ ARG A 21 -8.868 -15.580 5.295 1.00 0.00 C ATOM 221 NH1 ARG A 21 -9.868 -14.907 4.740 1.00 0.00 N ATOM 222 NH2 ARG A 21 -9.127 -16.527 6.186 1.00 0.00 N ATOM 0 H ARG A 21 -5.337 -12.683 -0.454 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.012 -12.748 0.792 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.611 -14.998 0.772 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.669 -14.200 2.016 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.629 -14.129 2.375 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.873 -15.703 2.519 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.143 -14.163 4.001 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.656 -13.327 4.288 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.866 -15.846 5.410 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.673 -14.177 4.055 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.831 -15.120 4.999 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.361 -17.046 6.616 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.092 -16.736 6.442 1.00 0.00 H new ATOM 233 N GLU A 22 -5.081 -11.764 1.990 1.00 0.00 N ATOM 234 CA GLU A 22 -4.437 -10.744 2.808 1.00 0.00 C ATOM 235 C GLU A 22 -4.030 -9.543 1.961 1.00 0.00 C ATOM 236 O GLU A 22 -4.418 -9.433 0.798 1.00 0.00 O ATOM 237 CB GLU A 22 -3.209 -11.326 3.513 1.00 0.00 C ATOM 238 CG GLU A 22 -3.030 -10.824 4.937 1.00 0.00 C ATOM 239 CD GLU A 22 -3.510 -11.823 5.972 1.00 0.00 C ATOM 240 OE1 GLU A 22 -3.412 -13.041 5.712 1.00 0.00 O ATOM 241 OE2 GLU A 22 -3.985 -11.387 7.042 1.00 0.00 O ATOM 0 H GLU A 22 -4.445 -12.469 1.617 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.154 -10.410 3.558 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.290 -12.413 3.527 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.318 -11.080 2.935 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.977 -10.604 5.111 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.576 -9.888 5.060 1.00 0.00 H new ATOM 246 N VAL A 23 -3.247 -8.647 2.551 1.00 0.00 N ATOM 247 CA VAL A 23 -2.787 -7.454 1.849 1.00 0.00 C ATOM 248 C VAL A 23 -1.989 -7.821 0.602 1.00 0.00 C ATOM 249 O VAL A 23 -0.817 -8.184 0.687 1.00 0.00 O ATOM 250 CB VAL A 23 -1.920 -6.559 2.756 1.00 0.00 C ATOM 251 CG1 VAL A 23 -2.795 -5.751 3.702 1.00 0.00 C ATOM 252 CG2 VAL A 23 -0.916 -7.396 3.534 1.00 0.00 C ATOM 0 H VAL A 23 -2.917 -8.724 3.513 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.679 -6.901 1.557 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.366 -5.864 2.125 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.166 -5.125 4.335 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.470 -5.120 3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.378 -6.428 4.327 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.314 -6.745 4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.447 -8.117 4.155 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.266 -7.926 2.837 1.00 0.00 H new ATOM 262 N THR A 24 -2.637 -7.725 -0.558 1.00 0.00 N ATOM 263 CA THR A 24 -1.990 -8.050 -1.827 1.00 0.00 C ATOM 264 C THR A 24 -2.304 -6.998 -2.886 1.00 0.00 C ATOM 265 O THR A 24 -3.412 -6.950 -3.419 1.00 0.00 O ATOM 266 CB THR A 24 -2.443 -9.427 -2.315 1.00 0.00 C ATOM 267 OG1 THR A 24 -3.842 -9.442 -2.546 1.00 0.00 O ATOM 268 CG2 THR A 24 -2.128 -10.541 -1.340 1.00 0.00 C ATOM 0 H THR A 24 -3.608 -7.425 -0.645 1.00 0.00 H new ATOM 0 HA THR A 24 -0.913 -8.063 -1.662 1.00 0.00 H new ATOM 0 HB THR A 24 -1.888 -9.604 -3.236 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.126 -8.569 -2.889 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.476 -11.490 -1.747 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.051 -10.589 -1.177 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.630 -10.348 -0.392 1.00 0.00 H new ATOM 276 N MET A 25 -1.319 -6.156 -3.189 1.00 0.00 N ATOM 277 CA MET A 25 -1.492 -5.107 -4.187 1.00 0.00 C ATOM 278 C MET A 25 -1.163 -5.631 -5.582 1.00 0.00 C ATOM 279 O MET A 25 -0.640 -6.735 -5.732 1.00 0.00 O ATOM 280 CB MET A 25 -0.607 -3.903 -3.853 1.00 0.00 C ATOM 281 CG MET A 25 -1.387 -2.694 -3.367 1.00 0.00 C ATOM 282 SD MET A 25 -2.363 -3.043 -1.891 1.00 0.00 S ATOM 283 CE MET A 25 -1.077 -3.136 -0.648 1.00 0.00 C ATOM 0 H MET A 25 -0.395 -6.180 -2.758 1.00 0.00 H new ATOM 0 HA MET A 25 -2.535 -4.791 -4.174 1.00 0.00 H new ATOM 0 HB2 MET A 25 0.113 -4.193 -3.088 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.036 -3.625 -4.739 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.693 -1.880 -3.155 1.00 0.00 H new ATOM 0 HG3 MET A 25 -2.048 -2.350 -4.162 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.514 -2.991 0.340 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.598 -4.114 -0.692 1.00 0.00 H new ATOM 0 HE3 MET A 25 -0.335 -2.360 -0.834 1.00 0.00 H new ATOM 291 N LYS A 26 -1.476 -4.836 -6.599 1.00 0.00 N ATOM 292 CA LYS A 26 -1.215 -5.226 -7.980 1.00 0.00 C ATOM 293 C LYS A 26 -1.097 -4.003 -8.885 1.00 0.00 C ATOM 294 O LYS A 26 -1.979 -3.144 -8.901 1.00 0.00 O ATOM 295 CB LYS A 26 -2.327 -6.145 -8.490 1.00 0.00 C ATOM 296 CG LYS A 26 -1.878 -7.091 -9.592 1.00 0.00 C ATOM 297 CD LYS A 26 -1.076 -8.255 -9.034 1.00 0.00 C ATOM 298 CE LYS A 26 -0.452 -9.085 -10.143 1.00 0.00 C ATOM 299 NZ LYS A 26 -1.361 -10.175 -10.598 1.00 0.00 N ATOM 0 H LYS A 26 -1.910 -3.919 -6.494 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.266 -5.762 -8.003 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.714 -6.730 -7.656 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.150 -5.534 -8.860 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.750 -7.471 -10.125 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.274 -6.546 -10.317 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.293 -7.877 -8.377 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.724 -8.887 -8.426 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.208 -8.439 -10.987 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.485 -9.517 -9.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.899 -10.719 -11.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.574 -10.806 -9.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.245 -9.762 -10.958 1.00 0.00 H new ATOM 309 N LYS A 27 -0.002 -3.934 -9.636 1.00 0.00 N ATOM 310 CA LYS A 27 0.237 -2.820 -10.548 1.00 0.00 C ATOM 311 C LYS A 27 0.358 -1.501 -9.787 1.00 0.00 C ATOM 312 O LYS A 27 1.462 -1.015 -9.544 1.00 0.00 O ATOM 313 CB LYS A 27 -0.887 -2.733 -11.586 1.00 0.00 C ATOM 314 CG LYS A 27 -0.736 -1.569 -12.555 1.00 0.00 C ATOM 315 CD LYS A 27 -2.040 -0.805 -12.721 1.00 0.00 C ATOM 316 CE LYS A 27 -3.140 -1.697 -13.273 1.00 0.00 C ATOM 317 NZ LYS A 27 -4.427 -0.962 -13.428 1.00 0.00 N ATOM 0 H LYS A 27 0.736 -4.638 -9.631 1.00 0.00 H new ATOM 0 HA LYS A 27 1.181 -3.001 -11.062 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.919 -3.664 -12.152 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.842 -2.642 -11.068 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.039 -0.893 -12.194 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.407 -1.943 -13.525 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.349 -0.397 -11.759 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.885 0.041 -13.391 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.832 -2.097 -14.239 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.286 -2.548 -12.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.151 -1.606 -13.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.735 -0.601 -12.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.295 -0.165 -14.083 1.00 0.00 H new ATOM 327 N GLY A 28 -0.782 -0.928 -9.412 1.00 0.00 N ATOM 328 CA GLY A 28 -0.775 0.328 -8.684 1.00 0.00 C ATOM 329 C GLY A 28 -2.173 0.822 -8.369 1.00 0.00 C ATOM 330 O GLY A 28 -2.568 1.905 -8.804 1.00 0.00 O ATOM 0 H GLY A 28 -1.709 -1.310 -9.599 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.219 0.203 -7.755 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.250 1.082 -9.271 1.00 0.00 H new ATOM 334 N ASP A 29 -2.922 0.030 -7.608 1.00 0.00 N ATOM 335 CA ASP A 29 -4.284 0.394 -7.232 1.00 0.00 C ATOM 336 C ASP A 29 -4.295 1.309 -6.005 1.00 0.00 C ATOM 337 O ASP A 29 -5.359 1.658 -5.494 1.00 0.00 O ATOM 338 CB ASP A 29 -5.110 -0.862 -6.953 1.00 0.00 C ATOM 339 CG ASP A 29 -5.034 -1.868 -8.083 1.00 0.00 C ATOM 340 OD1 ASP A 29 -5.287 -1.478 -9.243 1.00 0.00 O ATOM 341 OD2 ASP A 29 -4.722 -3.046 -7.810 1.00 0.00 O ATOM 0 H ASP A 29 -2.609 -0.868 -7.240 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.727 0.937 -8.066 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.758 -1.327 -6.032 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.150 -0.580 -6.791 1.00 0.00 H new ATOM 345 N ILE A 30 -3.109 1.691 -5.539 1.00 0.00 N ATOM 346 CA ILE A 30 -2.984 2.563 -4.377 1.00 0.00 C ATOM 347 C ILE A 30 -3.667 1.956 -3.156 1.00 0.00 C ATOM 348 O ILE A 30 -4.338 0.929 -3.251 1.00 0.00 O ATOM 349 CB ILE A 30 -3.572 3.964 -4.638 1.00 0.00 C ATOM 350 CG1 ILE A 30 -3.385 4.368 -6.104 1.00 0.00 C ATOM 351 CG2 ILE A 30 -2.914 4.982 -3.721 1.00 0.00 C ATOM 352 CD1 ILE A 30 -1.935 4.479 -6.519 1.00 0.00 C ATOM 0 H ILE A 30 -2.219 1.409 -5.950 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.916 2.665 -4.184 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.641 3.936 -4.428 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.882 3.636 -6.741 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.878 5.325 -6.275 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.335 5.969 -3.912 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.094 4.705 -2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.841 5.002 -3.911 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.878 4.768 -7.568 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.438 5.232 -5.907 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.442 3.517 -6.381 1.00 0.00 H new ATOM 363 N LEU A 31 -3.475 2.593 -2.003 1.00 0.00 N ATOM 364 CA LEU A 31 -4.054 2.113 -0.756 1.00 0.00 C ATOM 365 C LEU A 31 -3.805 3.108 0.372 1.00 0.00 C ATOM 366 O LEU A 31 -2.810 3.832 0.367 1.00 0.00 O ATOM 367 CB LEU A 31 -3.456 0.749 -0.392 1.00 0.00 C ATOM 368 CG LEU A 31 -1.945 0.733 -0.120 1.00 0.00 C ATOM 369 CD1 LEU A 31 -1.190 1.619 -1.104 1.00 0.00 C ATOM 370 CD2 LEU A 31 -1.661 1.159 1.311 1.00 0.00 C ATOM 0 H LEU A 31 -2.921 3.444 -1.909 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.130 2.008 -0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.969 0.373 0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.667 0.053 -1.203 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.591 -0.289 -0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.124 1.583 -0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.361 1.262 -2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.545 2.646 -1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.586 1.143 1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.040 2.168 1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.153 0.472 2.000 1.00 0.00 H new ATOM 381 N THR A 32 -4.712 3.135 1.347 1.00 0.00 N ATOM 382 CA THR A 32 -4.583 4.038 2.488 1.00 0.00 C ATOM 383 C THR A 32 -3.594 3.470 3.500 1.00 0.00 C ATOM 384 O THR A 32 -3.093 2.360 3.331 1.00 0.00 O ATOM 385 CB THR A 32 -5.942 4.261 3.150 1.00 0.00 C ATOM 386 OG1 THR A 32 -6.984 4.200 2.191 1.00 0.00 O ATOM 387 CG2 THR A 32 -6.049 5.592 3.860 1.00 0.00 C ATOM 0 H THR A 32 -5.542 2.543 1.369 1.00 0.00 H new ATOM 0 HA THR A 32 -4.209 4.997 2.129 1.00 0.00 H new ATOM 0 HB THR A 32 -6.038 3.465 3.888 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.846 4.343 2.635 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.038 5.687 4.308 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.290 5.650 4.640 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.896 6.400 3.144 1.00 0.00 H new ATOM 395 N LEU A 33 -3.312 4.232 4.551 1.00 0.00 N ATOM 396 CA LEU A 33 -2.375 3.784 5.575 1.00 0.00 C ATOM 397 C LEU A 33 -2.342 4.744 6.757 1.00 0.00 C ATOM 398 O LEU A 33 -2.950 5.815 6.722 1.00 0.00 O ATOM 399 CB LEU A 33 -0.974 3.636 4.980 1.00 0.00 C ATOM 400 CG LEU A 33 -0.619 4.650 3.890 1.00 0.00 C ATOM 401 CD1 LEU A 33 -0.522 6.049 4.474 1.00 0.00 C ATOM 402 CD2 LEU A 33 0.687 4.262 3.209 1.00 0.00 C ATOM 0 H LEU A 33 -3.715 5.155 4.716 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.716 2.814 5.938 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.244 3.721 5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.877 2.632 4.566 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.412 4.646 3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.269 6.756 3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.479 6.326 4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.252 6.070 5.242 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.926 4.993 2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.489 4.239 3.947 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.582 3.276 2.756 1.00 0.00 H new ATOM 413 N LEU A 34 -1.626 4.350 7.805 1.00 0.00 N ATOM 414 CA LEU A 34 -1.505 5.165 9.007 1.00 0.00 C ATOM 415 C LEU A 34 -0.057 5.215 9.484 1.00 0.00 C ATOM 416 O LEU A 34 0.414 4.305 10.165 1.00 0.00 O ATOM 417 CB LEU A 34 -2.399 4.604 10.115 1.00 0.00 C ATOM 418 CG LEU A 34 -2.854 5.621 11.164 1.00 0.00 C ATOM 419 CD1 LEU A 34 -3.615 4.927 12.281 1.00 0.00 C ATOM 420 CD2 LEU A 34 -1.663 6.382 11.724 1.00 0.00 C ATOM 0 H LEU A 34 -1.118 3.466 7.845 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.825 6.179 8.766 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.282 4.159 9.657 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.863 3.800 10.620 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.522 6.336 10.683 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.931 5.665 13.019 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.491 4.427 11.868 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.969 4.190 12.759 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.007 7.100 12.468 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.970 5.681 12.189 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.157 6.911 10.916 1.00 0.00 H new ATOM 431 N ASN A 35 0.645 6.284 9.122 1.00 0.00 N ATOM 432 CA ASN A 35 2.041 6.450 9.513 1.00 0.00 C ATOM 433 C ASN A 35 2.904 5.333 8.929 1.00 0.00 C ATOM 434 O ASN A 35 2.483 4.631 8.010 1.00 0.00 O ATOM 435 CB ASN A 35 2.166 6.468 11.040 1.00 0.00 C ATOM 436 CG ASN A 35 1.155 7.393 11.692 1.00 0.00 C ATOM 437 OD1 ASN A 35 0.627 8.303 11.052 1.00 0.00 O ATOM 438 ND2 ASN A 35 0.881 7.162 12.970 1.00 0.00 N ATOM 0 H ASN A 35 0.271 7.048 8.559 1.00 0.00 H new ATOM 0 HA ASN A 35 2.395 7.402 9.117 1.00 0.00 H new ATOM 0 HB2 ASN A 35 2.031 5.457 11.425 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.173 6.782 11.316 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.208 7.750 13.462 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.343 6.396 13.460 1.00 0.00 H new ATOM 444 N SER A 36 4.114 5.175 9.466 1.00 0.00 N ATOM 445 CA SER A 36 5.038 4.144 8.996 1.00 0.00 C ATOM 446 C SER A 36 5.551 4.472 7.597 1.00 0.00 C ATOM 447 O SER A 36 5.633 3.599 6.733 1.00 0.00 O ATOM 448 CB SER A 36 4.358 2.772 8.997 1.00 0.00 C ATOM 449 OG SER A 36 3.622 2.568 10.190 1.00 0.00 O ATOM 0 H SER A 36 4.477 5.749 10.227 1.00 0.00 H new ATOM 0 HA SER A 36 5.887 4.116 9.679 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.693 2.692 8.137 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.110 1.990 8.892 1.00 0.00 H new ATOM 0 HG SER A 36 3.196 1.686 10.165 1.00 0.00 H new ATOM 454 N THR A 37 5.900 5.739 7.383 1.00 0.00 N ATOM 455 CA THR A 37 6.409 6.190 6.091 1.00 0.00 C ATOM 456 C THR A 37 7.891 6.536 6.183 1.00 0.00 C ATOM 457 O THR A 37 8.641 6.364 5.221 1.00 0.00 O ATOM 458 CB THR A 37 5.618 7.405 5.603 1.00 0.00 C ATOM 459 OG1 THR A 37 4.232 7.115 5.557 1.00 0.00 O ATOM 460 CG2 THR A 37 6.034 7.876 4.226 1.00 0.00 C ATOM 0 H THR A 37 5.839 6.472 8.090 1.00 0.00 H new ATOM 0 HA THR A 37 6.288 5.376 5.376 1.00 0.00 H new ATOM 0 HB THR A 37 5.833 8.197 6.321 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.743 7.905 5.244 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.434 8.740 3.940 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.088 8.154 4.240 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.880 7.073 3.505 1.00 0.00 H new ATOM 468 N ASN A 38 8.307 7.026 7.346 1.00 0.00 N ATOM 469 CA ASN A 38 9.701 7.398 7.566 1.00 0.00 C ATOM 470 C ASN A 38 10.350 6.483 8.598 1.00 0.00 C ATOM 471 O ASN A 38 11.407 5.902 8.350 1.00 0.00 O ATOM 472 CB ASN A 38 9.795 8.854 8.026 1.00 0.00 C ATOM 473 CG ASN A 38 11.230 9.322 8.166 1.00 0.00 C ATOM 474 OD1 ASN A 38 11.722 9.534 9.277 1.00 0.00 O ATOM 475 ND2 ASN A 38 11.913 9.489 7.039 1.00 0.00 N ATOM 0 H ASN A 38 7.699 7.175 8.151 1.00 0.00 H new ATOM 0 HA ASN A 38 10.235 7.288 6.622 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.275 9.493 7.312 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.284 8.964 8.983 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.883 9.804 7.072 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.468 9.302 6.140 1.00 0.00 H new ATOM 481 N LYS A 39 9.710 6.358 9.758 1.00 0.00 N ATOM 482 CA LYS A 39 10.225 5.512 10.828 1.00 0.00 C ATOM 483 C LYS A 39 9.934 4.042 10.547 1.00 0.00 C ATOM 484 O LYS A 39 10.846 3.221 10.471 1.00 0.00 O ATOM 485 CB LYS A 39 9.611 5.920 12.169 1.00 0.00 C ATOM 486 CG LYS A 39 10.574 5.806 13.338 1.00 0.00 C ATOM 487 CD LYS A 39 10.233 6.798 14.438 1.00 0.00 C ATOM 488 CE LYS A 39 11.027 8.086 14.295 1.00 0.00 C ATOM 489 NZ LYS A 39 11.254 8.749 15.609 1.00 0.00 N ATOM 0 H LYS A 39 8.834 6.832 9.980 1.00 0.00 H new ATOM 0 HA LYS A 39 11.306 5.646 10.876 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.257 6.949 12.099 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.739 5.296 12.365 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.544 4.793 13.738 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.592 5.982 12.991 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.167 7.022 14.409 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.438 6.349 15.410 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.987 7.870 13.827 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.495 8.768 13.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.799 9.623 15.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.338 8.979 16.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.784 8.109 16.234 1.00 0.00 H new ATOM 499 N ASP A 40 8.652 3.717 10.394 1.00 0.00 N ATOM 500 CA ASP A 40 8.239 2.347 10.121 1.00 0.00 C ATOM 501 C ASP A 40 7.818 2.187 8.664 1.00 0.00 C ATOM 502 O ASP A 40 7.921 3.123 7.871 1.00 0.00 O ATOM 503 CB ASP A 40 7.087 1.945 11.045 1.00 0.00 C ATOM 504 CG ASP A 40 7.357 2.301 12.494 1.00 0.00 C ATOM 505 OD1 ASP A 40 8.454 1.973 12.991 1.00 0.00 O ATOM 506 OD2 ASP A 40 6.471 2.908 13.129 1.00 0.00 O ATOM 0 H ASP A 40 7.884 4.385 10.455 1.00 0.00 H new ATOM 0 HA ASP A 40 9.090 1.693 10.309 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.172 2.439 10.717 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.917 0.871 10.963 1.00 0.00 H new ATOM 510 N TRP A 41 7.344 0.994 8.317 1.00 0.00 N ATOM 511 CA TRP A 41 6.908 0.712 6.954 1.00 0.00 C ATOM 512 C TRP A 41 6.345 -0.702 6.846 1.00 0.00 C ATOM 513 O TRP A 41 6.820 -1.514 6.051 1.00 0.00 O ATOM 514 CB TRP A 41 8.073 0.895 5.976 1.00 0.00 C ATOM 515 CG TRP A 41 9.295 0.112 6.347 1.00 0.00 C ATOM 516 CD1 TRP A 41 10.138 0.354 7.394 1.00 0.00 C ATOM 517 CD2 TRP A 41 9.816 -1.037 5.668 1.00 0.00 C ATOM 518 NE1 TRP A 41 11.150 -0.575 7.408 1.00 0.00 N ATOM 519 CE2 TRP A 41 10.974 -1.439 6.360 1.00 0.00 C ATOM 520 CE3 TRP A 41 9.415 -1.764 4.544 1.00 0.00 C ATOM 521 CZ2 TRP A 41 11.734 -2.537 5.963 1.00 0.00 C ATOM 522 CZ3 TRP A 41 10.170 -2.853 4.152 1.00 0.00 C ATOM 523 CH2 TRP A 41 11.318 -3.231 4.860 1.00 0.00 C ATOM 0 H TRP A 41 7.252 0.208 8.960 1.00 0.00 H new ATOM 0 HA TRP A 41 6.117 1.416 6.696 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.750 0.597 4.979 1.00 0.00 H new ATOM 0 HB3 TRP A 41 8.331 1.953 5.925 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.026 1.158 8.106 1.00 0.00 H new ATOM 0 HE1 TRP A 41 11.909 -0.615 8.088 1.00 0.00 H new ATOM 0 HE3 TRP A 41 8.531 -1.480 3.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 12.620 -2.830 6.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 9.870 -3.422 3.285 1.00 0.00 H new ATOM 0 HH2 TRP A 41 11.886 -4.088 4.528 1.00 0.00 H new ATOM 533 N TRP A 42 5.326 -0.990 7.654 1.00 0.00 N ATOM 534 CA TRP A 42 4.696 -2.308 7.651 1.00 0.00 C ATOM 535 C TRP A 42 3.239 -2.218 8.094 1.00 0.00 C ATOM 536 O TRP A 42 2.697 -3.162 8.669 1.00 0.00 O ATOM 537 CB TRP A 42 5.455 -3.267 8.573 1.00 0.00 C ATOM 538 CG TRP A 42 6.943 -3.103 8.518 1.00 0.00 C ATOM 539 CD1 TRP A 42 7.788 -3.595 7.563 1.00 0.00 C ATOM 540 CD2 TRP A 42 7.764 -2.401 9.459 1.00 0.00 C ATOM 541 NE1 TRP A 42 9.083 -3.240 7.855 1.00 0.00 N ATOM 542 CE2 TRP A 42 9.094 -2.509 9.012 1.00 0.00 C ATOM 543 CE3 TRP A 42 7.502 -1.693 10.634 1.00 0.00 C ATOM 544 CZ2 TRP A 42 10.160 -1.932 9.700 1.00 0.00 C ATOM 545 CZ3 TRP A 42 8.561 -1.121 11.316 1.00 0.00 C ATOM 546 CH2 TRP A 42 9.874 -1.243 10.848 1.00 0.00 C ATOM 0 H TRP A 42 4.920 -0.330 8.317 1.00 0.00 H new ATOM 0 HA TRP A 42 4.728 -2.690 6.631 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.119 -3.113 9.598 1.00 0.00 H new ATOM 0 HB3 TRP A 42 5.201 -4.292 8.305 1.00 0.00 H new ATOM 0 HD1 TRP A 42 7.483 -4.177 6.706 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.903 -3.482 7.299 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.492 -1.594 11.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 11.174 -2.025 9.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.371 -0.571 12.226 1.00 0.00 H new ATOM 0 HH2 TRP A 42 10.678 -0.784 11.404 1.00 0.00 H new ATOM 556 N LYS A 43 2.606 -1.080 7.824 1.00 0.00 N ATOM 557 CA LYS A 43 1.212 -0.877 8.199 1.00 0.00 C ATOM 558 C LYS A 43 0.493 0.008 7.187 1.00 0.00 C ATOM 559 O LYS A 43 1.018 1.038 6.762 1.00 0.00 O ATOM 560 CB LYS A 43 1.122 -0.249 9.593 1.00 0.00 C ATOM 561 CG LYS A 43 -0.180 -0.555 10.315 1.00 0.00 C ATOM 562 CD LYS A 43 -0.540 0.542 11.304 1.00 0.00 C ATOM 563 CE LYS A 43 -2.040 0.790 11.339 1.00 0.00 C ATOM 564 NZ LYS A 43 -2.795 -0.427 11.747 1.00 0.00 N ATOM 0 H LYS A 43 3.036 -0.287 7.348 1.00 0.00 H new ATOM 0 HA LYS A 43 0.724 -1.852 8.211 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.956 -0.606 10.198 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.233 0.832 9.503 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.983 -0.668 9.587 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.091 -1.506 10.841 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.193 0.265 12.299 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.024 1.463 11.032 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.258 1.602 12.033 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.378 1.113 10.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.804 -0.194 11.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.676 -1.167 11.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.433 -0.771 12.659 1.00 0.00 H new ATOM 574 N VAL A 44 -0.713 -0.400 6.809 1.00 0.00 N ATOM 575 CA VAL A 44 -1.513 0.353 5.850 1.00 0.00 C ATOM 576 C VAL A 44 -2.998 0.049 6.022 1.00 0.00 C ATOM 577 O VAL A 44 -3.392 -0.670 6.940 1.00 0.00 O ATOM 578 CB VAL A 44 -1.092 0.045 4.401 1.00 0.00 C ATOM 579 CG1 VAL A 44 0.383 0.361 4.193 1.00 0.00 C ATOM 580 CG2 VAL A 44 -1.385 -1.407 4.049 1.00 0.00 C ATOM 0 H VAL A 44 -1.159 -1.250 7.153 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.338 1.411 6.047 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.676 0.680 3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.661 0.137 3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.561 1.417 4.395 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.984 -0.245 4.871 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.079 -1.601 3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.833 -2.063 4.722 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.453 -1.598 4.152 1.00 0.00 H new ATOM 590 N GLU A 45 -3.820 0.599 5.134 1.00 0.00 N ATOM 591 CA GLU A 45 -5.261 0.382 5.192 1.00 0.00 C ATOM 592 C GLU A 45 -5.860 0.327 3.790 1.00 0.00 C ATOM 593 O GLU A 45 -6.310 1.339 3.255 1.00 0.00 O ATOM 594 CB GLU A 45 -5.933 1.491 6.004 1.00 0.00 C ATOM 595 CG GLU A 45 -7.437 1.328 6.130 1.00 0.00 C ATOM 596 CD GLU A 45 -8.110 2.551 6.724 1.00 0.00 C ATOM 597 OE1 GLU A 45 -8.229 2.618 7.965 1.00 0.00 O ATOM 598 OE2 GLU A 45 -8.515 3.441 5.947 1.00 0.00 O ATOM 0 H GLU A 45 -3.513 1.197 4.367 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.440 -0.575 5.681 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.494 1.516 7.001 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.718 2.452 5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.860 1.127 5.146 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.654 0.460 6.753 1.00 0.00 H new ATOM 603 N VAL A 46 -5.863 -0.865 3.202 1.00 0.00 N ATOM 604 CA VAL A 46 -6.408 -1.055 1.861 1.00 0.00 C ATOM 605 C VAL A 46 -7.930 -1.157 1.898 1.00 0.00 C ATOM 606 O VAL A 46 -8.612 -0.766 0.951 1.00 0.00 O ATOM 607 CB VAL A 46 -5.836 -2.318 1.195 1.00 0.00 C ATOM 608 CG1 VAL A 46 -6.243 -2.383 -0.269 1.00 0.00 C ATOM 609 CG2 VAL A 46 -4.322 -2.360 1.337 1.00 0.00 C ATOM 0 H VAL A 46 -5.495 -1.714 3.632 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.118 -0.183 1.275 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.249 -3.190 1.702 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.829 -3.284 -0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.330 -2.407 -0.344 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.862 -1.506 -0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.937 -3.261 0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.887 -1.482 0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.056 -2.367 2.394 1.00 0.00 H new ATOM 619 N ASN A 47 -8.456 -1.686 2.997 1.00 0.00 N ATOM 620 CA ASN A 47 -9.897 -1.840 3.159 1.00 0.00 C ATOM 621 C ASN A 47 -10.267 -1.976 4.633 1.00 0.00 C ATOM 622 O ASN A 47 -11.008 -2.883 5.018 1.00 0.00 O ATOM 623 CB ASN A 47 -10.389 -3.062 2.379 1.00 0.00 C ATOM 624 CG ASN A 47 -9.735 -4.347 2.845 1.00 0.00 C ATOM 625 OD1 ASN A 47 -10.292 -5.080 3.663 1.00 0.00 O ATOM 626 ND2 ASN A 47 -8.545 -4.628 2.326 1.00 0.00 N ATOM 0 H ASN A 47 -7.905 -2.016 3.790 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.382 -0.947 2.764 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.470 -3.148 2.488 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.186 -2.918 1.318 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -8.056 -5.480 2.602 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.120 -3.992 1.651 1.00 0.00 H new ATOM 632 N ASP A 48 -9.748 -1.069 5.454 1.00 0.00 N ATOM 633 CA ASP A 48 -10.024 -1.086 6.886 1.00 0.00 C ATOM 634 C ASP A 48 -9.517 -2.377 7.522 1.00 0.00 C ATOM 635 O ASP A 48 -10.280 -3.322 7.724 1.00 0.00 O ATOM 636 CB ASP A 48 -11.526 -0.933 7.140 1.00 0.00 C ATOM 637 CG ASP A 48 -11.941 0.515 7.292 1.00 0.00 C ATOM 638 OD1 ASP A 48 -11.086 1.342 7.674 1.00 0.00 O ATOM 639 OD2 ASP A 48 -13.123 0.826 7.028 1.00 0.00 O ATOM 0 H ASP A 48 -9.134 -0.313 5.152 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.499 -0.247 7.342 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.079 -1.382 6.315 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.797 -1.482 8.042 1.00 0.00 H new ATOM 643 N ARG A 49 -8.226 -2.410 7.833 1.00 0.00 N ATOM 644 CA ARG A 49 -7.616 -3.584 8.447 1.00 0.00 C ATOM 645 C ARG A 49 -6.148 -3.331 8.765 1.00 0.00 C ATOM 646 O ARG A 49 -5.541 -2.394 8.246 1.00 0.00 O ATOM 647 CB ARG A 49 -7.747 -4.795 7.521 1.00 0.00 C ATOM 648 CG ARG A 49 -7.914 -6.113 8.262 1.00 0.00 C ATOM 649 CD ARG A 49 -6.986 -7.187 7.718 1.00 0.00 C ATOM 650 NE ARG A 49 -7.709 -8.199 6.949 1.00 0.00 N ATOM 651 CZ ARG A 49 -8.075 -8.045 5.679 1.00 0.00 C ATOM 652 NH1 ARG A 49 -7.792 -6.923 5.028 1.00 0.00 N ATOM 653 NH2 ARG A 49 -8.728 -9.017 5.056 1.00 0.00 N ATOM 0 H ARG A 49 -7.581 -1.637 7.670 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.141 -3.789 9.380 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.603 -4.647 6.862 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.863 -4.854 6.886 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.713 -5.962 9.323 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.948 -6.449 8.178 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.228 -6.725 7.086 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.462 -7.666 8.545 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.947 -9.075 7.414 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.291 -6.171 5.501 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.076 -6.813 4.055 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.949 -9.881 5.550 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.009 -8.900 4.082 1.00 0.00 H new ATOM 664 N GLN A 50 -5.578 -4.174 9.621 1.00 0.00 N ATOM 665 CA GLN A 50 -4.178 -4.042 10.007 1.00 0.00 C ATOM 666 C GLN A 50 -3.259 -4.395 8.842 1.00 0.00 C ATOM 667 O GLN A 50 -2.814 -5.535 8.713 1.00 0.00 O ATOM 668 CB GLN A 50 -3.871 -4.943 11.206 1.00 0.00 C ATOM 669 CG GLN A 50 -4.371 -6.368 11.039 1.00 0.00 C ATOM 670 CD GLN A 50 -3.406 -7.394 11.598 1.00 0.00 C ATOM 671 OE1 GLN A 50 -2.634 -7.102 12.512 1.00 0.00 O ATOM 672 NE2 GLN A 50 -3.444 -8.603 11.051 1.00 0.00 N ATOM 0 H GLN A 50 -6.064 -4.956 10.060 1.00 0.00 H new ATOM 0 HA GLN A 50 -3.999 -3.004 10.287 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.794 -4.962 11.370 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.322 -4.511 12.100 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.335 -6.472 11.538 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.537 -6.569 9.981 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.100 -8.801 10.295 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.817 -9.334 11.386 1.00 0.00 H new ATOM 679 N GLY A 51 -2.980 -3.406 7.994 1.00 0.00 N ATOM 680 CA GLY A 51 -2.114 -3.628 6.845 1.00 0.00 C ATOM 681 C GLY A 51 -0.738 -4.123 7.242 1.00 0.00 C ATOM 682 O GLY A 51 -0.262 -3.843 8.343 1.00 0.00 O ATOM 0 H GLY A 51 -3.338 -2.455 8.082 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.579 -4.354 6.178 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.014 -2.699 6.284 1.00 0.00 H new ATOM 686 N PHE A 52 -0.096 -4.861 6.342 1.00 0.00 N ATOM 687 CA PHE A 52 1.236 -5.396 6.601 1.00 0.00 C ATOM 688 C PHE A 52 2.118 -5.285 5.361 1.00 0.00 C ATOM 689 O PHE A 52 3.019 -6.096 5.155 1.00 0.00 O ATOM 690 CB PHE A 52 1.143 -6.857 7.046 1.00 0.00 C ATOM 691 CG PHE A 52 0.977 -7.023 8.530 1.00 0.00 C ATOM 692 CD1 PHE A 52 1.786 -6.328 9.414 1.00 0.00 C ATOM 693 CD2 PHE A 52 0.010 -7.875 9.041 1.00 0.00 C ATOM 694 CE1 PHE A 52 1.636 -6.479 10.779 1.00 0.00 C ATOM 695 CE2 PHE A 52 -0.144 -8.030 10.405 1.00 0.00 C ATOM 696 CZ PHE A 52 0.669 -7.330 11.275 1.00 0.00 C ATOM 0 H PHE A 52 -0.477 -5.102 5.427 1.00 0.00 H new ATOM 0 HA PHE A 52 1.688 -4.808 7.400 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.302 -7.330 6.539 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.043 -7.383 6.728 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.543 -5.660 9.031 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.630 -8.423 8.365 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.274 -5.932 11.457 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.900 -8.698 10.791 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.548 -7.448 12.342 1.00 0.00 H new ATOM 705 N VAL A 53 1.851 -4.273 4.541 1.00 0.00 N ATOM 706 CA VAL A 53 2.621 -4.057 3.321 1.00 0.00 C ATOM 707 C VAL A 53 3.830 -3.164 3.589 1.00 0.00 C ATOM 708 O VAL A 53 3.870 -2.441 4.584 1.00 0.00 O ATOM 709 CB VAL A 53 1.756 -3.420 2.214 1.00 0.00 C ATOM 710 CG1 VAL A 53 0.551 -4.295 1.905 1.00 0.00 C ATOM 711 CG2 VAL A 53 1.317 -2.018 2.612 1.00 0.00 C ATOM 0 H VAL A 53 1.109 -3.591 4.699 1.00 0.00 H new ATOM 0 HA VAL A 53 2.963 -5.035 2.982 1.00 0.00 H new ATOM 0 HB VAL A 53 2.361 -3.342 1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.046 -3.828 1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.890 -5.275 1.568 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.055 -4.410 2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.708 -1.588 1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.732 -2.067 3.531 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.196 -1.394 2.774 1.00 0.00 H new ATOM 721 N PRO A 54 4.838 -3.201 2.698 1.00 0.00 N ATOM 722 CA PRO A 54 6.051 -2.390 2.843 1.00 0.00 C ATOM 723 C PRO A 54 5.735 -0.906 2.993 1.00 0.00 C ATOM 724 O PRO A 54 6.027 -0.300 4.022 1.00 0.00 O ATOM 725 CB PRO A 54 6.816 -2.647 1.541 1.00 0.00 C ATOM 726 CG PRO A 54 6.310 -3.961 1.055 1.00 0.00 C ATOM 727 CD PRO A 54 4.872 -4.033 1.482 1.00 0.00 C ATOM 0 HA PRO A 54 6.614 -2.656 3.738 1.00 0.00 H new ATOM 0 HB2 PRO A 54 6.632 -1.858 0.812 1.00 0.00 H new ATOM 0 HB3 PRO A 54 7.892 -2.677 1.714 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.400 -4.037 -0.029 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.885 -4.783 1.481 1.00 0.00 H new ATOM 0 HD2 PRO A 54 4.204 -3.648 0.712 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.564 -5.058 1.687 1.00 0.00 H new ATOM 732 N ALA A 55 5.134 -0.326 1.958 1.00 0.00 N ATOM 733 CA ALA A 55 4.777 1.088 1.974 1.00 0.00 C ATOM 734 C ALA A 55 6.019 1.973 2.013 1.00 0.00 C ATOM 735 O ALA A 55 5.960 3.122 2.449 1.00 0.00 O ATOM 736 CB ALA A 55 3.872 1.393 3.160 1.00 0.00 C ATOM 0 H ALA A 55 4.884 -0.814 1.098 1.00 0.00 H new ATOM 0 HA ALA A 55 4.238 1.308 1.053 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.614 2.452 3.158 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.962 0.798 3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.391 1.148 4.086 1.00 0.00 H new ATOM 742 N ALA A 56 7.145 1.433 1.550 1.00 0.00 N ATOM 743 CA ALA A 56 8.397 2.177 1.530 1.00 0.00 C ATOM 744 C ALA A 56 8.568 2.912 0.205 1.00 0.00 C ATOM 745 O ALA A 56 8.144 2.423 -0.841 1.00 0.00 O ATOM 746 CB ALA A 56 9.572 1.243 1.775 1.00 0.00 C ATOM 0 H ALA A 56 7.213 0.483 1.184 1.00 0.00 H new ATOM 0 HA ALA A 56 8.368 2.917 2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.500 1.814 1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.459 0.764 2.748 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.600 0.481 0.996 1.00 0.00 H new ATOM 752 N TYR A 57 9.187 4.090 0.258 1.00 0.00 N ATOM 753 CA TYR A 57 9.414 4.902 -0.938 1.00 0.00 C ATOM 754 C TYR A 57 8.166 4.953 -1.816 1.00 0.00 C ATOM 755 O TYR A 57 8.253 4.898 -3.043 1.00 0.00 O ATOM 756 CB TYR A 57 10.602 4.361 -1.740 1.00 0.00 C ATOM 757 CG TYR A 57 10.507 2.887 -2.065 1.00 0.00 C ATOM 758 CD1 TYR A 57 11.023 1.932 -1.197 1.00 0.00 C ATOM 759 CD2 TYR A 57 9.903 2.451 -3.236 1.00 0.00 C ATOM 760 CE1 TYR A 57 10.939 0.584 -1.490 1.00 0.00 C ATOM 761 CE2 TYR A 57 9.815 1.106 -3.537 1.00 0.00 C ATOM 762 CZ TYR A 57 10.334 0.177 -2.660 1.00 0.00 C ATOM 763 OH TYR A 57 10.248 -1.166 -2.954 1.00 0.00 O ATOM 0 H TYR A 57 9.542 4.505 1.119 1.00 0.00 H new ATOM 0 HA TYR A 57 9.643 5.917 -0.612 1.00 0.00 H new ATOM 0 HB2 TYR A 57 10.685 4.923 -2.670 1.00 0.00 H new ATOM 0 HB3 TYR A 57 11.518 4.540 -1.177 1.00 0.00 H new ATOM 0 HD1 TYR A 57 11.497 2.248 -0.279 1.00 0.00 H new ATOM 0 HD2 TYR A 57 9.495 3.176 -3.924 1.00 0.00 H new ATOM 0 HE1 TYR A 57 11.345 -0.147 -0.806 1.00 0.00 H new ATOM 0 HE2 TYR A 57 9.343 0.784 -4.453 1.00 0.00 H new ATOM 0 HH TYR A 57 9.793 -1.284 -3.814 1.00 0.00 H new ATOM 772 N VAL A 58 7.006 5.059 -1.174 1.00 0.00 N ATOM 773 CA VAL A 58 5.735 5.117 -1.887 1.00 0.00 C ATOM 774 C VAL A 58 5.537 6.480 -2.549 1.00 0.00 C ATOM 775 O VAL A 58 5.774 6.637 -3.746 1.00 0.00 O ATOM 776 CB VAL A 58 4.555 4.815 -0.938 1.00 0.00 C ATOM 777 CG1 VAL A 58 3.218 5.021 -1.640 1.00 0.00 C ATOM 778 CG2 VAL A 58 4.663 3.398 -0.397 1.00 0.00 C ATOM 0 H VAL A 58 6.921 5.107 -0.159 1.00 0.00 H new ATOM 0 HA VAL A 58 5.761 4.354 -2.665 1.00 0.00 H new ATOM 0 HB VAL A 58 4.604 5.513 -0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.406 4.801 -0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.139 6.055 -1.975 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.152 4.355 -2.500 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.825 3.199 0.271 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.644 2.690 -1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.598 3.288 0.152 1.00 0.00 H new ATOM 788 N LYS A 59 5.098 7.461 -1.767 1.00 0.00 N ATOM 789 CA LYS A 59 4.868 8.804 -2.287 1.00 0.00 C ATOM 790 C LYS A 59 5.145 9.861 -1.222 1.00 0.00 C ATOM 791 O LYS A 59 4.608 10.967 -1.280 1.00 0.00 O ATOM 792 CB LYS A 59 3.430 8.937 -2.792 1.00 0.00 C ATOM 793 CG LYS A 59 3.165 8.181 -4.083 1.00 0.00 C ATOM 794 CD LYS A 59 3.746 8.907 -5.284 1.00 0.00 C ATOM 795 CE LYS A 59 3.488 8.144 -6.573 1.00 0.00 C ATOM 796 NZ LYS A 59 3.675 9.004 -7.774 1.00 0.00 N ATOM 0 H LYS A 59 4.895 7.352 -0.773 1.00 0.00 H new ATOM 0 HA LYS A 59 5.556 8.966 -3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.749 8.574 -2.022 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.204 9.992 -2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.597 7.183 -4.016 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.091 8.055 -4.218 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.309 9.903 -5.355 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.819 9.039 -5.147 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.162 7.289 -6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.472 7.749 -6.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.490 8.447 -8.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.014 9.806 -7.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.652 9.361 -7.797 1.00 0.00 H new ATOM 806 N LYS A 60 5.990 9.514 -0.250 1.00 0.00 N ATOM 807 CA LYS A 60 6.347 10.429 0.835 1.00 0.00 C ATOM 808 C LYS A 60 5.125 11.180 1.360 1.00 0.00 C ATOM 809 O LYS A 60 5.218 12.346 1.743 1.00 0.00 O ATOM 810 CB LYS A 60 7.416 11.422 0.366 1.00 0.00 C ATOM 811 CG LYS A 60 6.920 12.424 -0.666 1.00 0.00 C ATOM 812 CD LYS A 60 7.134 11.916 -2.083 1.00 0.00 C ATOM 813 CE LYS A 60 8.348 12.563 -2.730 1.00 0.00 C ATOM 814 NZ LYS A 60 9.620 11.940 -2.272 1.00 0.00 N ATOM 0 H LYS A 60 6.442 8.601 -0.192 1.00 0.00 H new ATOM 0 HA LYS A 60 6.750 9.831 1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.797 11.965 1.231 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.254 10.866 -0.056 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.860 12.620 -0.505 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.443 13.372 -0.535 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.263 10.834 -2.067 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.247 12.123 -2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.271 12.476 -3.814 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.360 13.627 -2.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.423 12.410 -2.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.706 12.045 -1.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.620 10.930 -2.518 1.00 0.00 H new ATOM 824 N LEU A 61 3.982 10.503 1.375 1.00 0.00 N ATOM 825 CA LEU A 61 2.743 11.105 1.853 1.00 0.00 C ATOM 826 C LEU A 61 2.881 11.561 3.302 1.00 0.00 C ATOM 827 O LEU A 61 3.275 10.785 4.173 1.00 0.00 O ATOM 828 CB LEU A 61 1.586 10.112 1.726 1.00 0.00 C ATOM 829 CG LEU A 61 0.229 10.738 1.398 1.00 0.00 C ATOM 830 CD1 LEU A 61 0.068 10.901 -0.106 1.00 0.00 C ATOM 831 CD2 LEU A 61 -0.899 9.890 1.967 1.00 0.00 C ATOM 0 H LEU A 61 3.888 9.537 1.062 1.00 0.00 H new ATOM 0 HA LEU A 61 2.532 11.978 1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.832 9.388 0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.498 9.559 2.661 1.00 0.00 H new ATOM 0 HG LEU A 61 0.183 11.725 1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.903 11.348 -0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.858 11.547 -0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.133 9.925 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.857 10.349 1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.856 8.890 1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.793 9.822 3.050 1.00 0.00 H new ATOM 842 N ASP A 62 2.553 12.823 3.554 1.00 0.00 N ATOM 843 CA ASP A 62 2.640 13.383 4.897 1.00 0.00 C ATOM 844 C ASP A 62 1.701 12.653 5.852 1.00 0.00 C ATOM 845 O ASP A 62 2.190 11.816 6.638 1.00 0.00 O ATOM 846 CB ASP A 62 2.304 14.876 4.874 1.00 0.00 C ATOM 847 CG ASP A 62 3.154 15.674 5.844 1.00 0.00 C ATOM 848 OD1 ASP A 62 4.327 15.301 6.051 1.00 0.00 O ATOM 849 OD2 ASP A 62 2.645 16.672 6.395 1.00 0.00 O ATOM 0 H ASP A 62 2.224 13.478 2.845 1.00 0.00 H new ATOM 0 HA ASP A 62 3.663 13.254 5.252 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.448 15.263 3.865 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.251 15.013 5.120 1.00 0.00 H new TER 853 ASP A 62