USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 666 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 50 GLN : amide:sc= -0.0207 X(o=-0.043,f=-0.51) USER MOD Set 1.2: A 81 MET CE :methyl -166:sc= -0.0223 (180deg=-0.483) USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= -0.539 USER MOD Set 2.2: A 16 GLN : amide:sc= -3.87! C(o=-4.4!,f=-7.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -1.45 K(o=-1.5,f=-0.65) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.0624 X(o=-0.062,f=-0.51) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 112:sc=-0.00885 USER MOD Single : A 37 SER OG : rot 106:sc= 1.36 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.495 USER MOD Single : A 39 LYS NZ :NH3+ 146:sc= -0.0673 (180deg=-0.694) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 172:sc= 0 (180deg=-0.139) USER MOD Single : A 47 MET CE :methyl 163:sc= 0 (180deg=-0.0297) USER MOD Single : A 51 ASN : amide:sc= -0.744! C(o=-0.74!,f=-8.6!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.958 USER MOD Single : A 58 GLN : amide:sc= -3.79! C(o=-3.8!,f=-3.8!) USER MOD Single : A 60 MET CE :methyl -172:sc= -0.489 (180deg=-0.721) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -151:sc= -0.077 (180deg=-0.744) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -151:sc= -1.99 (180deg=-3.52) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -41:sc= 0.554 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 82.007 -0.377 17.207 1.00 4.64 N ATOM 2 CA MET A 1 82.584 0.923 17.659 1.00 4.12 C ATOM 3 C MET A 1 83.327 1.602 16.506 1.00 3.48 C ATOM 4 O MET A 1 83.153 2.776 16.247 1.00 3.58 O ATOM 5 CB MET A 1 83.555 0.556 18.783 1.00 4.98 C ATOM 6 CG MET A 1 82.961 0.978 20.129 1.00 5.66 C ATOM 7 SD MET A 1 84.285 1.565 21.214 1.00 6.61 S ATOM 8 CE MET A 1 84.635 -0.016 22.022 1.00 7.61 C ATOM 0 H1 MET A 1 81.505 -0.828 17.998 1.00 4.64 H new ATOM 0 H2 MET A 1 81.341 -0.208 16.426 1.00 4.64 H new ATOM 0 H3 MET A 1 82.772 -1.002 16.881 1.00 4.64 H new ATOM 0 HA MET A 1 81.817 1.621 17.995 1.00 4.12 H new ATOM 0 HB2 MET A 1 83.745 -0.517 18.778 1.00 4.98 H new ATOM 0 HB3 MET A 1 84.514 1.050 18.626 1.00 4.98 H new ATOM 0 HG2 MET A 1 82.221 1.765 19.982 1.00 5.66 H new ATOM 0 HG3 MET A 1 82.444 0.137 20.590 1.00 5.66 H new ATOM 0 HE1 MET A 1 85.438 0.116 22.747 1.00 7.61 H new ATOM 0 HE2 MET A 1 83.739 -0.370 22.533 1.00 7.61 H new ATOM 0 HE3 MET A 1 84.939 -0.748 21.273 1.00 7.61 H new ATOM 20 N ASP A 2 84.157 0.872 15.810 1.00 3.24 N ATOM 21 CA ASP A 2 84.909 1.479 14.673 1.00 2.87 C ATOM 22 C ASP A 2 84.110 1.338 13.376 1.00 2.07 C ATOM 23 O ASP A 2 84.635 0.955 12.350 1.00 2.09 O ATOM 24 CB ASP A 2 86.214 0.685 14.591 1.00 3.39 C ATOM 25 CG ASP A 2 85.898 -0.808 14.495 1.00 4.29 C ATOM 26 OD1 ASP A 2 85.076 -1.168 13.668 1.00 4.75 O ATOM 27 OD2 ASP A 2 86.483 -1.567 15.250 1.00 4.77 O ATOM 0 H ASP A 2 84.347 -0.116 15.979 1.00 3.24 H new ATOM 0 HA ASP A 2 85.090 2.544 14.819 1.00 2.87 H new ATOM 0 HB2 ASP A 2 86.791 1.002 13.722 1.00 3.39 H new ATOM 0 HB3 ASP A 2 86.828 0.882 15.470 1.00 3.39 H new ATOM 32 N ASP A 3 82.841 1.645 13.413 1.00 1.76 N ATOM 33 CA ASP A 3 82.008 1.530 12.181 1.00 1.28 C ATOM 34 C ASP A 3 82.036 0.095 11.649 1.00 1.35 C ATOM 35 O ASP A 3 83.077 -0.432 11.308 1.00 1.53 O ATOM 36 CB ASP A 3 82.652 2.485 11.176 1.00 1.32 C ATOM 37 CG ASP A 3 82.765 3.880 11.794 1.00 2.14 C ATOM 38 OD1 ASP A 3 81.972 4.184 12.670 1.00 2.66 O ATOM 39 OD2 ASP A 3 83.641 4.621 11.381 1.00 2.84 O ATOM 0 H ASP A 3 82.345 1.970 14.243 1.00 1.76 H new ATOM 0 HA ASP A 3 80.963 1.777 12.368 1.00 1.28 H new ATOM 0 HB2 ASP A 3 83.640 2.120 10.894 1.00 1.32 H new ATOM 0 HB3 ASP A 3 82.055 2.527 10.265 1.00 1.32 H new ATOM 44 N ILE A 4 80.900 -0.541 11.573 1.00 1.45 N ATOM 45 CA ILE A 4 80.861 -1.941 11.061 1.00 1.66 C ATOM 46 C ILE A 4 80.110 -1.994 9.727 1.00 1.48 C ATOM 47 O ILE A 4 80.701 -2.145 8.676 1.00 1.58 O ATOM 48 CB ILE A 4 80.112 -2.735 12.131 1.00 1.89 C ATOM 49 CG1 ILE A 4 80.926 -2.729 13.427 1.00 2.25 C ATOM 50 CG2 ILE A 4 79.918 -4.176 11.658 1.00 1.95 C ATOM 51 CD1 ILE A 4 80.028 -3.133 14.597 1.00 2.30 C ATOM 0 H ILE A 4 79.996 -0.152 11.843 1.00 1.45 H new ATOM 0 HA ILE A 4 81.858 -2.343 10.881 1.00 1.66 H new ATOM 0 HB ILE A 4 79.138 -2.279 12.308 1.00 1.89 H new ATOM 0 HG12 ILE A 4 81.766 -3.419 13.344 1.00 2.25 H new ATOM 0 HG13 ILE A 4 81.344 -1.738 13.601 1.00 2.25 H new ATOM 0 HG21 ILE A 4 79.384 -4.741 12.422 1.00 1.95 H new ATOM 0 HG22 ILE A 4 79.341 -4.181 10.733 1.00 1.95 H new ATOM 0 HG23 ILE A 4 80.891 -4.635 11.481 1.00 1.95 H new ATOM 0 HD11 ILE A 4 80.608 -3.129 15.520 1.00 2.30 H new ATOM 0 HD12 ILE A 4 79.203 -2.426 14.684 1.00 2.30 H new ATOM 0 HD13 ILE A 4 79.631 -4.133 14.423 1.00 2.30 H new ATOM 63 N TYR A 5 78.811 -1.868 9.760 1.00 1.29 N ATOM 64 CA TYR A 5 78.024 -1.910 8.495 1.00 1.15 C ATOM 65 C TYR A 5 78.511 -0.819 7.537 1.00 1.04 C ATOM 66 O TYR A 5 78.574 -1.015 6.339 1.00 1.02 O ATOM 67 CB TYR A 5 76.578 -1.648 8.916 1.00 1.16 C ATOM 68 CG TYR A 5 75.920 -2.952 9.303 1.00 1.39 C ATOM 69 CD1 TYR A 5 76.077 -3.459 10.599 1.00 1.89 C ATOM 70 CD2 TYR A 5 75.153 -3.654 8.365 1.00 1.97 C ATOM 71 CE1 TYR A 5 75.466 -4.666 10.957 1.00 2.12 C ATOM 72 CE2 TYR A 5 74.541 -4.861 8.723 1.00 2.21 C ATOM 73 CZ TYR A 5 74.698 -5.367 10.020 1.00 1.97 C ATOM 74 OH TYR A 5 74.096 -6.557 10.374 1.00 2.28 O ATOM 0 H TYR A 5 78.261 -1.738 10.609 1.00 1.29 H new ATOM 0 HA TYR A 5 78.128 -2.862 7.975 1.00 1.15 H new ATOM 0 HB2 TYR A 5 76.553 -0.953 9.755 1.00 1.16 H new ATOM 0 HB3 TYR A 5 76.029 -1.180 8.098 1.00 1.16 H new ATOM 0 HD1 TYR A 5 76.670 -2.918 11.322 1.00 1.89 H new ATOM 0 HD2 TYR A 5 75.034 -3.264 7.365 1.00 1.97 H new ATOM 0 HE1 TYR A 5 75.587 -5.057 11.957 1.00 2.12 H new ATOM 0 HE2 TYR A 5 73.948 -5.402 8.000 1.00 2.21 H new ATOM 0 HH TYR A 5 73.600 -6.913 9.608 1.00 2.28 H new ATOM 84 N LYS A 6 78.856 0.326 8.056 1.00 1.08 N ATOM 85 CA LYS A 6 79.341 1.427 7.174 1.00 1.15 C ATOM 86 C LYS A 6 80.418 0.900 6.223 1.00 1.34 C ATOM 87 O LYS A 6 80.658 1.458 5.171 1.00 1.48 O ATOM 88 CB LYS A 6 79.927 2.469 8.127 1.00 1.28 C ATOM 89 CG LYS A 6 78.857 3.509 8.470 1.00 1.93 C ATOM 90 CD LYS A 6 79.489 4.902 8.492 1.00 2.17 C ATOM 91 CE LYS A 6 79.217 5.607 7.161 1.00 3.13 C ATOM 92 NZ LYS A 6 79.674 7.009 7.369 1.00 3.45 N ATOM 0 H LYS A 6 78.824 0.548 9.051 1.00 1.08 H new ATOM 0 HA LYS A 6 78.547 1.845 6.556 1.00 1.15 H new ATOM 0 HB2 LYS A 6 80.283 1.985 9.036 1.00 1.28 H new ATOM 0 HB3 LYS A 6 80.787 2.955 7.666 1.00 1.28 H new ATOM 0 HG2 LYS A 6 78.052 3.475 7.736 1.00 1.93 H new ATOM 0 HG3 LYS A 6 78.413 3.284 9.440 1.00 1.93 H new ATOM 0 HD2 LYS A 6 79.079 5.486 9.316 1.00 2.17 H new ATOM 0 HD3 LYS A 6 80.563 4.823 8.661 1.00 2.17 H new ATOM 0 HE2 LYS A 6 79.760 5.132 6.344 1.00 3.13 H new ATOM 0 HE3 LYS A 6 78.158 5.571 6.904 1.00 3.13 H new ATOM 0 HZ1 LYS A 6 79.520 7.557 6.499 1.00 3.45 H new ATOM 0 HZ2 LYS A 6 79.135 7.438 8.148 1.00 3.45 H new ATOM 0 HZ3 LYS A 6 80.687 7.013 7.606 1.00 3.45 H new ATOM 106 N ALA A 7 81.064 -0.175 6.586 1.00 1.45 N ATOM 107 CA ALA A 7 82.122 -0.745 5.704 1.00 1.74 C ATOM 108 C ALA A 7 81.482 -1.575 4.588 1.00 1.74 C ATOM 109 O ALA A 7 81.771 -1.394 3.421 1.00 1.92 O ATOM 110 CB ALA A 7 82.965 -1.634 6.618 1.00 1.95 C ATOM 0 H ALA A 7 80.905 -0.683 7.456 1.00 1.45 H new ATOM 0 HA ALA A 7 82.723 0.028 5.224 1.00 1.74 H new ATOM 0 HB1 ALA A 7 83.768 -2.092 6.041 1.00 1.95 H new ATOM 0 HB2 ALA A 7 83.392 -1.031 7.419 1.00 1.95 H new ATOM 0 HB3 ALA A 7 82.337 -2.414 7.047 1.00 1.95 H new ATOM 116 N ALA A 8 80.610 -2.482 4.935 1.00 1.60 N ATOM 117 CA ALA A 8 79.950 -3.319 3.893 1.00 1.68 C ATOM 118 C ALA A 8 79.377 -2.426 2.790 1.00 1.49 C ATOM 119 O ALA A 8 79.247 -2.833 1.653 1.00 1.62 O ATOM 120 CB ALA A 8 78.830 -4.055 4.627 1.00 1.71 C ATOM 0 H ALA A 8 80.326 -2.680 5.895 1.00 1.60 H new ATOM 0 HA ALA A 8 80.643 -4.011 3.415 1.00 1.68 H new ATOM 0 HB1 ALA A 8 78.294 -4.695 3.926 1.00 1.71 H new ATOM 0 HB2 ALA A 8 79.256 -4.666 5.423 1.00 1.71 H new ATOM 0 HB3 ALA A 8 78.139 -3.330 5.057 1.00 1.71 H new ATOM 126 N VAL A 9 79.037 -1.209 3.118 1.00 1.25 N ATOM 127 CA VAL A 9 78.476 -0.289 2.089 1.00 1.20 C ATOM 128 C VAL A 9 79.592 0.208 1.167 1.00 1.40 C ATOM 129 O VAL A 9 79.421 0.315 -0.031 1.00 1.41 O ATOM 130 CB VAL A 9 77.874 0.872 2.883 1.00 1.13 C ATOM 131 CG1 VAL A 9 77.315 1.918 1.917 1.00 1.83 C ATOM 132 CG2 VAL A 9 76.747 0.346 3.774 1.00 1.52 C ATOM 0 H VAL A 9 79.124 -0.813 4.054 1.00 1.25 H new ATOM 0 HA VAL A 9 77.734 -0.775 1.456 1.00 1.20 H new ATOM 0 HB VAL A 9 78.646 1.328 3.502 1.00 1.13 H new ATOM 0 HG11 VAL A 9 76.886 2.745 2.484 1.00 1.83 H new ATOM 0 HG12 VAL A 9 78.118 2.292 1.281 1.00 1.83 H new ATOM 0 HG13 VAL A 9 76.542 1.464 1.297 1.00 1.83 H new ATOM 0 HG21 VAL A 9 76.316 1.171 4.341 1.00 1.52 H new ATOM 0 HG22 VAL A 9 75.975 -0.110 3.154 1.00 1.52 H new ATOM 0 HG23 VAL A 9 77.145 -0.399 4.463 1.00 1.52 H new ATOM 142 N GLU A 10 80.738 0.508 1.717 1.00 1.64 N ATOM 143 CA GLU A 10 81.867 0.993 0.872 1.00 1.94 C ATOM 144 C GLU A 10 82.443 -0.165 0.054 1.00 1.97 C ATOM 145 O GLU A 10 83.054 0.033 -0.977 1.00 2.19 O ATOM 146 CB GLU A 10 82.907 1.520 1.861 1.00 2.23 C ATOM 147 CG GLU A 10 83.194 2.994 1.567 1.00 2.75 C ATOM 148 CD GLU A 10 84.084 3.104 0.328 1.00 3.11 C ATOM 149 OE1 GLU A 10 84.417 2.072 -0.231 1.00 3.61 O ATOM 150 OE2 GLU A 10 84.418 4.218 -0.040 1.00 3.35 O ATOM 0 H GLU A 10 80.941 0.438 2.714 1.00 1.64 H new ATOM 0 HA GLU A 10 81.555 1.761 0.165 1.00 1.94 H new ATOM 0 HB2 GLU A 10 82.543 1.407 2.882 1.00 2.23 H new ATOM 0 HB3 GLU A 10 83.825 0.938 1.783 1.00 2.23 H new ATOM 0 HG2 GLU A 10 82.260 3.532 1.406 1.00 2.75 H new ATOM 0 HG3 GLU A 10 83.685 3.457 2.423 1.00 2.75 H new ATOM 157 N GLN A 11 82.249 -1.375 0.506 1.00 1.87 N ATOM 158 CA GLN A 11 82.782 -2.546 -0.246 1.00 2.00 C ATOM 159 C GLN A 11 82.047 -2.692 -1.581 1.00 1.46 C ATOM 160 O GLN A 11 82.468 -3.422 -2.456 1.00 1.69 O ATOM 161 CB GLN A 11 82.506 -3.753 0.653 1.00 2.54 C ATOM 162 CG GLN A 11 83.814 -4.228 1.288 1.00 3.27 C ATOM 163 CD GLN A 11 84.502 -3.052 1.984 1.00 3.83 C ATOM 164 OE1 GLN A 11 85.465 -2.510 1.478 1.00 4.41 O ATOM 165 NE2 GLN A 11 84.046 -2.631 3.131 1.00 3.95 N ATOM 0 H GLN A 11 81.745 -1.602 1.363 1.00 1.87 H new ATOM 0 HA GLN A 11 83.843 -2.443 -0.475 1.00 2.00 H new ATOM 0 HB2 GLN A 11 81.789 -3.485 1.429 1.00 2.54 H new ATOM 0 HB3 GLN A 11 82.059 -4.559 0.071 1.00 2.54 H new ATOM 0 HG2 GLN A 11 83.614 -5.023 2.007 1.00 3.27 H new ATOM 0 HG3 GLN A 11 84.470 -4.646 0.525 1.00 3.27 H new ATOM 0 HE21 GLN A 11 83.238 -3.085 3.556 1.00 3.95 H new ATOM 0 HE22 GLN A 11 84.497 -1.847 3.603 1.00 3.95 H new ATOM 174 N LEU A 12 80.952 -1.999 -1.743 1.00 1.14 N ATOM 175 CA LEU A 12 80.190 -2.095 -3.021 1.00 1.23 C ATOM 176 C LEU A 12 81.028 -1.548 -4.181 1.00 1.75 C ATOM 177 O LEU A 12 81.968 -0.804 -3.983 1.00 2.52 O ATOM 178 CB LEU A 12 78.945 -1.231 -2.806 1.00 1.10 C ATOM 179 CG LEU A 12 78.092 -1.831 -1.687 1.00 1.16 C ATOM 180 CD1 LEU A 12 76.841 -0.974 -1.483 1.00 1.74 C ATOM 181 CD2 LEU A 12 77.676 -3.252 -2.072 1.00 1.62 C ATOM 0 H LEU A 12 80.552 -1.371 -1.046 1.00 1.14 H new ATOM 0 HA LEU A 12 79.935 -3.124 -3.272 1.00 1.23 H new ATOM 0 HB2 LEU A 12 79.236 -0.213 -2.549 1.00 1.10 H new ATOM 0 HB3 LEU A 12 78.366 -1.174 -3.728 1.00 1.10 H new ATOM 0 HG LEU A 12 78.670 -1.857 -0.763 1.00 1.16 H new ATOM 0 HD11 LEU A 12 76.233 -1.402 -0.686 1.00 1.74 H new ATOM 0 HD12 LEU A 12 77.135 0.040 -1.211 1.00 1.74 H new ATOM 0 HD13 LEU A 12 76.263 -0.949 -2.407 1.00 1.74 H new ATOM 0 HD21 LEU A 12 77.068 -3.681 -1.276 1.00 1.62 H new ATOM 0 HD22 LEU A 12 77.098 -3.224 -2.995 1.00 1.62 H new ATOM 0 HD23 LEU A 12 78.566 -3.864 -2.219 1.00 1.62 H new ATOM 193 N THR A 13 80.693 -1.910 -5.389 1.00 1.74 N ATOM 194 CA THR A 13 81.470 -1.409 -6.560 1.00 2.37 C ATOM 195 C THR A 13 80.996 -0.006 -6.946 1.00 2.28 C ATOM 196 O THR A 13 79.975 0.464 -6.484 1.00 1.84 O ATOM 197 CB THR A 13 81.175 -2.401 -7.687 1.00 2.87 C ATOM 198 OG1 THR A 13 79.983 -3.113 -7.389 1.00 2.80 O ATOM 199 CG2 THR A 13 82.340 -3.384 -7.821 1.00 3.47 C ATOM 0 H THR A 13 79.916 -2.530 -5.617 1.00 1.74 H new ATOM 0 HA THR A 13 82.537 -1.339 -6.347 1.00 2.37 H new ATOM 0 HB THR A 13 81.050 -1.860 -8.625 1.00 2.87 H new ATOM 0 HG1 THR A 13 79.792 -3.748 -8.111 1.00 2.80 H new ATOM 0 HG21 THR A 13 82.129 -4.090 -8.624 1.00 3.47 H new ATOM 0 HG22 THR A 13 83.254 -2.836 -8.050 1.00 3.47 H new ATOM 0 HG23 THR A 13 82.468 -3.927 -6.884 1.00 3.47 H new ATOM 207 N GLU A 14 81.728 0.667 -7.791 1.00 2.79 N ATOM 208 CA GLU A 14 81.313 2.038 -8.205 1.00 2.85 C ATOM 209 C GLU A 14 80.031 1.967 -9.038 1.00 2.54 C ATOM 210 O GLU A 14 79.172 2.822 -8.947 1.00 2.21 O ATOM 211 CB GLU A 14 82.475 2.570 -9.045 1.00 3.57 C ATOM 212 CG GLU A 14 82.892 3.946 -8.522 1.00 3.91 C ATOM 213 CD GLU A 14 84.419 4.030 -8.461 1.00 4.24 C ATOM 214 OE1 GLU A 14 85.054 2.993 -8.566 1.00 4.48 O ATOM 215 OE2 GLU A 14 84.927 5.128 -8.308 1.00 4.66 O ATOM 0 H GLU A 14 82.593 0.328 -8.212 1.00 2.79 H new ATOM 0 HA GLU A 14 81.103 2.684 -7.352 1.00 2.85 H new ATOM 0 HB2 GLU A 14 83.318 1.880 -8.998 1.00 3.57 H new ATOM 0 HB3 GLU A 14 82.179 2.641 -10.092 1.00 3.57 H new ATOM 0 HG2 GLU A 14 82.500 4.728 -9.173 1.00 3.91 H new ATOM 0 HG3 GLU A 14 82.468 4.114 -7.532 1.00 3.91 H new ATOM 222 N GLU A 15 79.894 0.952 -9.845 1.00 2.73 N ATOM 223 CA GLU A 15 78.665 0.822 -10.680 1.00 2.59 C ATOM 224 C GLU A 15 77.491 0.358 -9.814 1.00 2.19 C ATOM 225 O GLU A 15 76.356 0.334 -10.249 1.00 2.08 O ATOM 226 CB GLU A 15 79.008 -0.236 -11.729 1.00 3.01 C ATOM 227 CG GLU A 15 79.543 -1.491 -11.035 1.00 3.67 C ATOM 228 CD GLU A 15 79.011 -2.735 -11.749 1.00 4.32 C ATOM 229 OE1 GLU A 15 77.868 -2.706 -12.177 1.00 4.98 O ATOM 230 OE2 GLU A 15 79.756 -3.695 -11.858 1.00 4.51 O ATOM 0 H GLU A 15 80.580 0.206 -9.963 1.00 2.73 H new ATOM 0 HA GLU A 15 78.372 1.767 -11.137 1.00 2.59 H new ATOM 0 HB2 GLU A 15 78.123 -0.482 -12.316 1.00 3.01 H new ATOM 0 HB3 GLU A 15 79.752 0.153 -12.423 1.00 3.01 H new ATOM 0 HG2 GLU A 15 80.633 -1.490 -11.048 1.00 3.67 H new ATOM 0 HG3 GLU A 15 79.236 -1.500 -9.989 1.00 3.67 H new ATOM 237 N GLN A 16 77.756 -0.010 -8.591 1.00 2.04 N ATOM 238 CA GLN A 16 76.657 -0.472 -7.695 1.00 1.73 C ATOM 239 C GLN A 16 75.818 0.721 -7.231 1.00 1.35 C ATOM 240 O GLN A 16 74.663 0.854 -7.583 1.00 1.17 O ATOM 241 CB GLN A 16 77.366 -1.126 -6.507 1.00 1.74 C ATOM 242 CG GLN A 16 76.343 -1.873 -5.649 1.00 2.16 C ATOM 243 CD GLN A 16 76.862 -3.280 -5.347 1.00 2.30 C ATOM 244 OE1 GLN A 16 77.983 -3.610 -5.680 1.00 3.06 O ATOM 245 NE2 GLN A 16 76.089 -4.128 -4.727 1.00 2.19 N ATOM 0 H GLN A 16 78.686 -0.011 -8.173 1.00 2.04 H new ATOM 0 HA GLN A 16 75.977 -1.162 -8.194 1.00 1.73 H new ATOM 0 HB2 GLN A 16 78.132 -1.816 -6.862 1.00 1.74 H new ATOM 0 HB3 GLN A 16 77.872 -0.368 -5.910 1.00 1.74 H new ATOM 0 HG2 GLN A 16 76.167 -1.331 -4.720 1.00 2.16 H new ATOM 0 HG3 GLN A 16 75.388 -1.930 -6.170 1.00 2.16 H new ATOM 0 HE21 GLN A 16 75.148 -3.850 -4.448 1.00 2.19 H new ATOM 0 HE22 GLN A 16 76.425 -5.069 -4.521 1.00 2.19 H new ATOM 254 N LYS A 17 76.391 1.591 -6.443 1.00 1.41 N ATOM 255 CA LYS A 17 75.624 2.775 -5.961 1.00 1.21 C ATOM 256 C LYS A 17 75.190 3.639 -7.146 1.00 1.08 C ATOM 257 O LYS A 17 74.160 4.282 -7.115 1.00 0.97 O ATOM 258 CB LYS A 17 76.599 3.542 -5.067 1.00 1.52 C ATOM 259 CG LYS A 17 77.885 3.829 -5.845 1.00 2.28 C ATOM 260 CD LYS A 17 79.095 3.564 -4.948 1.00 2.64 C ATOM 261 CE LYS A 17 80.251 4.473 -5.369 1.00 2.74 C ATOM 262 NZ LYS A 17 80.129 5.676 -4.499 1.00 2.91 N ATOM 0 H LYS A 17 77.354 1.533 -6.113 1.00 1.41 H new ATOM 0 HA LYS A 17 74.718 2.491 -5.425 1.00 1.21 H new ATOM 0 HB2 LYS A 17 76.146 4.476 -4.734 1.00 1.52 H new ATOM 0 HB3 LYS A 17 76.824 2.960 -4.173 1.00 1.52 H new ATOM 0 HG2 LYS A 17 77.933 3.199 -6.734 1.00 2.28 H new ATOM 0 HG3 LYS A 17 77.892 4.864 -6.187 1.00 2.28 H new ATOM 0 HD2 LYS A 17 78.835 3.747 -3.905 1.00 2.64 H new ATOM 0 HD3 LYS A 17 79.395 2.519 -5.023 1.00 2.64 H new ATOM 0 HE2 LYS A 17 81.213 3.980 -5.229 1.00 2.74 H new ATOM 0 HE3 LYS A 17 80.180 4.739 -6.424 1.00 2.74 H new ATOM 0 HZ1 LYS A 17 80.889 6.348 -4.728 1.00 2.91 H new ATOM 0 HZ2 LYS A 17 79.206 6.128 -4.659 1.00 2.91 H new ATOM 0 HZ3 LYS A 17 80.207 5.392 -3.501 1.00 2.91 H new ATOM 276 N ASN A 18 75.968 3.657 -8.194 1.00 1.19 N ATOM 277 CA ASN A 18 75.600 4.477 -9.381 1.00 1.13 C ATOM 278 C ASN A 18 74.241 4.029 -9.926 1.00 0.92 C ATOM 279 O ASN A 18 73.421 4.835 -10.316 1.00 0.77 O ATOM 280 CB ASN A 18 76.706 4.212 -10.403 1.00 1.38 C ATOM 281 CG ASN A 18 77.539 5.479 -10.595 1.00 1.81 C ATOM 282 OD1 ASN A 18 77.002 6.561 -10.714 1.00 1.98 O ATOM 283 ND2 ASN A 18 78.841 5.390 -10.629 1.00 2.51 N ATOM 0 H ASN A 18 76.843 3.139 -8.279 1.00 1.19 H new ATOM 0 HA ASN A 18 75.513 5.537 -9.144 1.00 1.13 H new ATOM 0 HB2 ASN A 18 77.342 3.395 -10.063 1.00 1.38 H new ATOM 0 HB3 ASN A 18 76.271 3.903 -11.353 1.00 1.38 H new ATOM 0 HD21 ASN A 18 79.406 6.229 -10.755 1.00 2.51 H new ATOM 0 HD22 ASN A 18 79.293 4.481 -10.529 1.00 2.51 H new ATOM 290 N GLU A 19 73.999 2.746 -9.951 1.00 1.02 N ATOM 291 CA GLU A 19 72.692 2.246 -10.465 1.00 0.98 C ATOM 292 C GLU A 19 71.567 2.647 -9.508 1.00 0.83 C ATOM 293 O GLU A 19 70.503 3.061 -9.925 1.00 0.82 O ATOM 294 CB GLU A 19 72.842 0.725 -10.514 1.00 1.25 C ATOM 295 CG GLU A 19 71.968 0.162 -11.636 1.00 1.54 C ATOM 296 CD GLU A 19 72.535 -1.180 -12.102 1.00 2.01 C ATOM 297 OE1 GLU A 19 73.631 -1.514 -11.686 1.00 2.60 O ATOM 298 OE2 GLU A 19 71.863 -1.851 -12.868 1.00 2.48 O ATOM 0 H GLU A 19 74.648 2.024 -9.638 1.00 1.02 H new ATOM 0 HA GLU A 19 72.442 2.660 -11.442 1.00 0.98 H new ATOM 0 HB2 GLU A 19 73.885 0.457 -10.682 1.00 1.25 H new ATOM 0 HB3 GLU A 19 72.551 0.289 -9.558 1.00 1.25 H new ATOM 0 HG2 GLU A 19 70.944 0.034 -11.284 1.00 1.54 H new ATOM 0 HG3 GLU A 19 71.933 0.863 -12.470 1.00 1.54 H new ATOM 305 N PHE A 20 71.798 2.537 -8.228 1.00 0.83 N ATOM 306 CA PHE A 20 70.742 2.919 -7.248 1.00 0.78 C ATOM 307 C PHE A 20 70.458 4.419 -7.351 1.00 0.69 C ATOM 308 O PHE A 20 69.336 4.862 -7.198 1.00 0.74 O ATOM 309 CB PHE A 20 71.328 2.573 -5.879 1.00 0.94 C ATOM 310 CG PHE A 20 71.359 1.073 -5.710 1.00 1.20 C ATOM 311 CD1 PHE A 20 70.198 0.320 -5.928 1.00 2.07 C ATOM 312 CD2 PHE A 20 72.547 0.434 -5.335 1.00 1.96 C ATOM 313 CE1 PHE A 20 70.226 -1.071 -5.772 1.00 2.93 C ATOM 314 CE2 PHE A 20 72.574 -0.958 -5.180 1.00 2.88 C ATOM 315 CZ PHE A 20 71.414 -1.709 -5.398 1.00 3.19 C ATOM 0 H PHE A 20 72.670 2.200 -7.819 1.00 0.83 H new ATOM 0 HA PHE A 20 69.799 2.401 -7.425 1.00 0.78 H new ATOM 0 HB2 PHE A 20 72.335 2.981 -5.789 1.00 0.94 H new ATOM 0 HB3 PHE A 20 70.728 3.026 -5.090 1.00 0.94 H new ATOM 0 HD1 PHE A 20 69.281 0.813 -6.216 1.00 2.07 H new ATOM 0 HD2 PHE A 20 73.442 1.014 -5.165 1.00 1.96 H new ATOM 0 HE1 PHE A 20 69.331 -1.652 -5.940 1.00 2.93 H new ATOM 0 HE2 PHE A 20 73.491 -1.451 -4.892 1.00 2.88 H new ATOM 0 HZ PHE A 20 71.435 -2.782 -5.278 1.00 3.19 H new ATOM 325 N LYS A 21 71.466 5.205 -7.616 1.00 0.73 N ATOM 326 CA LYS A 21 71.256 6.676 -7.738 1.00 0.83 C ATOM 327 C LYS A 21 70.120 6.961 -8.720 1.00 0.81 C ATOM 328 O LYS A 21 69.171 7.650 -8.405 1.00 0.97 O ATOM 329 CB LYS A 21 72.579 7.222 -8.275 1.00 1.00 C ATOM 330 CG LYS A 21 72.616 8.742 -8.103 1.00 1.37 C ATOM 331 CD LYS A 21 74.064 9.229 -8.180 1.00 1.81 C ATOM 332 CE LYS A 21 74.790 8.878 -6.880 1.00 2.52 C ATOM 333 NZ LYS A 21 75.963 9.795 -6.835 1.00 3.32 N ATOM 0 H LYS A 21 72.427 4.892 -7.753 1.00 0.73 H new ATOM 0 HA LYS A 21 70.982 7.137 -6.789 1.00 0.83 H new ATOM 0 HB2 LYS A 21 73.414 6.766 -7.744 1.00 1.00 H new ATOM 0 HB3 LYS A 21 72.690 6.962 -9.328 1.00 1.00 H new ATOM 0 HG2 LYS A 21 72.018 9.221 -8.878 1.00 1.37 H new ATOM 0 HG3 LYS A 21 72.178 9.021 -7.145 1.00 1.37 H new ATOM 0 HD2 LYS A 21 74.570 8.767 -9.028 1.00 1.81 H new ATOM 0 HD3 LYS A 21 74.088 10.306 -8.343 1.00 1.81 H new ATOM 0 HE2 LYS A 21 74.143 9.022 -6.015 1.00 2.52 H new ATOM 0 HE3 LYS A 21 75.104 7.834 -6.873 1.00 2.52 H new ATOM 0 HZ1 LYS A 21 76.512 9.615 -5.970 1.00 3.32 H new ATOM 0 HZ2 LYS A 21 76.565 9.630 -7.667 1.00 3.32 H new ATOM 0 HZ3 LYS A 21 75.633 10.781 -6.836 1.00 3.32 H new ATOM 347 N ALA A 22 70.207 6.431 -9.908 1.00 0.78 N ATOM 348 CA ALA A 22 69.128 6.670 -10.905 1.00 0.87 C ATOM 349 C ALA A 22 67.790 6.184 -10.347 1.00 0.81 C ATOM 350 O ALA A 22 66.774 6.829 -10.500 1.00 0.83 O ATOM 351 CB ALA A 22 69.532 5.852 -12.133 1.00 0.97 C ATOM 0 H ALA A 22 70.977 5.844 -10.231 1.00 0.78 H new ATOM 0 HA ALA A 22 69.009 7.726 -11.147 1.00 0.87 H new ATOM 0 HB1 ALA A 22 68.783 5.976 -12.915 1.00 0.97 H new ATOM 0 HB2 ALA A 22 70.499 6.197 -12.498 1.00 0.97 H new ATOM 0 HB3 ALA A 22 69.602 4.799 -11.862 1.00 0.97 H new ATOM 357 N ALA A 23 67.783 5.053 -9.694 1.00 0.80 N ATOM 358 CA ALA A 23 66.510 4.533 -9.120 1.00 0.81 C ATOM 359 C ALA A 23 66.067 5.422 -7.957 1.00 0.74 C ATOM 360 O ALA A 23 64.900 5.714 -7.792 1.00 0.77 O ATOM 361 CB ALA A 23 66.841 3.125 -8.625 1.00 0.89 C ATOM 0 H ALA A 23 68.603 4.468 -9.534 1.00 0.80 H new ATOM 0 HA ALA A 23 65.698 4.523 -9.847 1.00 0.81 H new ATOM 0 HB1 ALA A 23 65.950 2.674 -8.187 1.00 0.89 H new ATOM 0 HB2 ALA A 23 67.182 2.516 -9.462 1.00 0.89 H new ATOM 0 HB3 ALA A 23 67.627 3.179 -7.872 1.00 0.89 H new ATOM 367 N PHE A 24 66.996 5.860 -7.152 1.00 0.71 N ATOM 368 CA PHE A 24 66.636 6.737 -6.003 1.00 0.72 C ATOM 369 C PHE A 24 65.677 7.835 -6.470 1.00 0.71 C ATOM 370 O PHE A 24 64.678 8.113 -5.836 1.00 0.73 O ATOM 371 CB PHE A 24 67.969 7.332 -5.534 1.00 0.82 C ATOM 372 CG PHE A 24 67.721 8.605 -4.755 1.00 1.04 C ATOM 373 CD1 PHE A 24 67.532 9.813 -5.435 1.00 1.51 C ATOM 374 CD2 PHE A 24 67.682 8.574 -3.356 1.00 1.81 C ATOM 375 CE1 PHE A 24 67.303 10.992 -4.717 1.00 1.88 C ATOM 376 CE2 PHE A 24 67.453 9.754 -2.637 1.00 2.09 C ATOM 377 CZ PHE A 24 67.263 10.963 -3.317 1.00 1.85 C ATOM 0 H PHE A 24 67.990 5.648 -7.241 1.00 0.71 H new ATOM 0 HA PHE A 24 66.131 6.199 -5.201 1.00 0.72 H new ATOM 0 HB2 PHE A 24 68.499 6.612 -4.911 1.00 0.82 H new ATOM 0 HB3 PHE A 24 68.606 7.540 -6.393 1.00 0.82 H new ATOM 0 HD1 PHE A 24 67.563 9.836 -6.514 1.00 1.51 H new ATOM 0 HD2 PHE A 24 67.828 7.641 -2.832 1.00 1.81 H new ATOM 0 HE1 PHE A 24 67.157 11.924 -5.242 1.00 1.88 H new ATOM 0 HE2 PHE A 24 67.423 9.731 -1.558 1.00 2.09 H new ATOM 0 HZ PHE A 24 67.086 11.873 -2.763 1.00 1.85 H new ATOM 387 N ASP A 25 65.970 8.461 -7.577 1.00 0.81 N ATOM 388 CA ASP A 25 65.072 9.539 -8.083 1.00 0.97 C ATOM 389 C ASP A 25 63.733 8.943 -8.528 1.00 1.04 C ATOM 390 O ASP A 25 62.784 9.654 -8.794 1.00 1.23 O ATOM 391 CB ASP A 25 65.810 10.145 -9.277 1.00 1.18 C ATOM 392 CG ASP A 25 66.478 11.455 -8.854 1.00 1.57 C ATOM 393 OD1 ASP A 25 65.799 12.281 -8.266 1.00 2.18 O ATOM 394 OD2 ASP A 25 67.657 11.609 -9.126 1.00 1.98 O ATOM 0 H ASP A 25 66.791 8.273 -8.153 1.00 0.81 H new ATOM 0 HA ASP A 25 64.852 10.285 -7.319 1.00 0.97 H new ATOM 0 HB2 ASP A 25 66.559 9.446 -9.648 1.00 1.18 H new ATOM 0 HB3 ASP A 25 65.112 10.328 -10.094 1.00 1.18 H new ATOM 399 N ILE A 26 63.649 7.643 -8.614 1.00 0.99 N ATOM 400 CA ILE A 26 62.375 7.004 -9.046 1.00 1.18 C ATOM 401 C ILE A 26 61.468 6.749 -7.838 1.00 1.09 C ATOM 402 O ILE A 26 60.258 6.769 -7.945 1.00 1.23 O ATOM 403 CB ILE A 26 62.799 5.683 -9.685 1.00 1.38 C ATOM 404 CG1 ILE A 26 63.977 5.924 -10.631 1.00 1.55 C ATOM 405 CG2 ILE A 26 61.628 5.104 -10.474 1.00 1.60 C ATOM 406 CD1 ILE A 26 63.527 6.810 -11.794 1.00 1.61 C ATOM 0 H ILE A 26 64.409 6.996 -8.403 1.00 0.99 H new ATOM 0 HA ILE A 26 61.811 7.632 -9.735 1.00 1.18 H new ATOM 0 HB ILE A 26 63.098 4.983 -8.905 1.00 1.38 H new ATOM 0 HG12 ILE A 26 64.797 6.400 -10.093 1.00 1.55 H new ATOM 0 HG13 ILE A 26 64.354 4.973 -11.009 1.00 1.55 H new ATOM 0 HG21 ILE A 26 61.928 4.161 -10.931 1.00 1.60 H new ATOM 0 HG22 ILE A 26 60.787 4.930 -9.802 1.00 1.60 H new ATOM 0 HG23 ILE A 26 61.331 5.806 -11.253 1.00 1.60 H new ATOM 0 HD11 ILE A 26 64.367 6.981 -12.467 1.00 1.61 H new ATOM 0 HD12 ILE A 26 62.721 6.316 -12.337 1.00 1.61 H new ATOM 0 HD13 ILE A 26 63.172 7.765 -11.407 1.00 1.61 H new ATOM 418 N PHE A 27 62.041 6.507 -6.689 1.00 0.94 N ATOM 419 CA PHE A 27 61.207 6.246 -5.481 1.00 0.95 C ATOM 420 C PHE A 27 60.821 7.567 -4.808 1.00 0.79 C ATOM 421 O PHE A 27 59.786 7.677 -4.182 1.00 0.87 O ATOM 422 CB PHE A 27 62.098 5.416 -4.554 1.00 1.05 C ATOM 423 CG PHE A 27 62.834 4.366 -5.357 1.00 1.28 C ATOM 424 CD1 PHE A 27 62.149 3.612 -6.318 1.00 1.97 C ATOM 425 CD2 PHE A 27 64.199 4.149 -5.139 1.00 1.67 C ATOM 426 CE1 PHE A 27 62.831 2.641 -7.061 1.00 2.24 C ATOM 427 CE2 PHE A 27 64.881 3.177 -5.881 1.00 1.91 C ATOM 428 CZ PHE A 27 64.197 2.424 -6.843 1.00 1.91 C ATOM 0 H PHE A 27 63.049 6.479 -6.535 1.00 0.94 H new ATOM 0 HA PHE A 27 60.279 5.730 -5.726 1.00 0.95 H new ATOM 0 HB2 PHE A 27 62.811 6.064 -4.044 1.00 1.05 H new ATOM 0 HB3 PHE A 27 61.493 4.939 -3.783 1.00 1.05 H new ATOM 0 HD1 PHE A 27 61.095 3.779 -6.486 1.00 1.97 H new ATOM 0 HD2 PHE A 27 64.727 4.731 -4.398 1.00 1.67 H new ATOM 0 HE1 PHE A 27 62.303 2.059 -7.802 1.00 2.24 H new ATOM 0 HE2 PHE A 27 65.934 3.008 -5.711 1.00 1.91 H new ATOM 0 HZ PHE A 27 64.723 1.676 -7.417 1.00 1.91 H new ATOM 438 N VAL A 28 61.649 8.570 -4.926 1.00 0.76 N ATOM 439 CA VAL A 28 61.336 9.878 -4.290 1.00 0.78 C ATOM 440 C VAL A 28 60.427 10.715 -5.197 1.00 0.97 C ATOM 441 O VAL A 28 60.220 11.890 -4.967 1.00 1.39 O ATOM 442 CB VAL A 28 62.694 10.556 -4.125 1.00 0.77 C ATOM 443 CG1 VAL A 28 63.649 9.614 -3.391 1.00 1.33 C ATOM 444 CG2 VAL A 28 63.266 10.889 -5.504 1.00 1.34 C ATOM 0 H VAL A 28 62.531 8.538 -5.437 1.00 0.76 H new ATOM 0 HA VAL A 28 60.809 9.763 -3.343 1.00 0.78 H new ATOM 0 HB VAL A 28 62.575 11.473 -3.548 1.00 0.77 H new ATOM 0 HG11 VAL A 28 64.619 10.098 -3.273 1.00 1.33 H new ATOM 0 HG12 VAL A 28 63.241 9.375 -2.409 1.00 1.33 H new ATOM 0 HG13 VAL A 28 63.769 8.696 -3.967 1.00 1.33 H new ATOM 0 HG21 VAL A 28 64.236 11.373 -5.388 1.00 1.34 H new ATOM 0 HG22 VAL A 28 63.385 9.971 -6.080 1.00 1.34 H new ATOM 0 HG23 VAL A 28 62.585 11.560 -6.028 1.00 1.34 H new ATOM 454 N LEU A 29 59.882 10.123 -6.224 1.00 1.11 N ATOM 455 CA LEU A 29 58.990 10.893 -7.139 1.00 1.39 C ATOM 456 C LEU A 29 57.928 11.647 -6.333 1.00 1.56 C ATOM 457 O LEU A 29 57.454 12.691 -6.735 1.00 1.98 O ATOM 458 CB LEU A 29 58.336 9.841 -8.035 1.00 1.45 C ATOM 459 CG LEU A 29 58.590 10.193 -9.502 1.00 1.71 C ATOM 460 CD1 LEU A 29 59.952 9.644 -9.930 1.00 2.28 C ATOM 461 CD2 LEU A 29 57.496 9.571 -10.372 1.00 2.41 C ATOM 0 H LEU A 29 60.015 9.142 -6.470 1.00 1.11 H new ATOM 0 HA LEU A 29 59.537 11.637 -7.718 1.00 1.39 H new ATOM 0 HB2 LEU A 29 58.741 8.854 -7.811 1.00 1.45 H new ATOM 0 HB3 LEU A 29 57.264 9.797 -7.840 1.00 1.45 H new ATOM 0 HG LEU A 29 58.580 11.276 -9.622 1.00 1.71 H new ATOM 0 HD11 LEU A 29 60.133 9.895 -10.975 1.00 2.28 H new ATOM 0 HD12 LEU A 29 60.733 10.085 -9.310 1.00 2.28 H new ATOM 0 HD13 LEU A 29 59.962 8.561 -9.810 1.00 2.28 H new ATOM 0 HD21 LEU A 29 57.676 9.821 -11.417 1.00 2.41 H new ATOM 0 HD22 LEU A 29 57.507 8.488 -10.251 1.00 2.41 H new ATOM 0 HD23 LEU A 29 56.524 9.960 -10.068 1.00 2.41 H new ATOM 473 N GLY A 30 57.554 11.129 -5.194 1.00 1.92 N ATOM 474 CA GLY A 30 56.526 11.817 -4.363 1.00 2.16 C ATOM 475 C GLY A 30 57.180 12.363 -3.092 1.00 1.95 C ATOM 476 O GLY A 30 56.569 13.084 -2.328 1.00 2.01 O ATOM 0 H GLY A 30 57.916 10.259 -4.804 1.00 1.92 H new ATOM 0 HA2 GLY A 30 56.070 12.630 -4.928 1.00 2.16 H new ATOM 0 HA3 GLY A 30 55.727 11.122 -4.104 1.00 2.16 H new ATOM 480 N ALA A 31 58.419 12.026 -2.860 1.00 1.94 N ATOM 481 CA ALA A 31 59.111 12.528 -1.638 1.00 1.87 C ATOM 482 C ALA A 31 59.054 14.057 -1.590 1.00 2.03 C ATOM 483 O ALA A 31 58.821 14.710 -2.586 1.00 2.28 O ATOM 484 CB ALA A 31 60.557 12.050 -1.782 1.00 1.50 C ATOM 0 H ALA A 31 58.982 11.426 -3.463 1.00 1.94 H new ATOM 0 HA ALA A 31 58.649 12.164 -0.720 1.00 1.87 H new ATOM 0 HB1 ALA A 31 61.137 12.379 -0.920 1.00 1.50 H new ATOM 0 HB2 ALA A 31 60.577 10.962 -1.838 1.00 1.50 H new ATOM 0 HB3 ALA A 31 60.990 12.468 -2.691 1.00 1.50 H new ATOM 490 N GLU A 32 59.260 14.632 -0.437 1.00 2.22 N ATOM 491 CA GLU A 32 59.214 16.118 -0.328 1.00 2.52 C ATOM 492 C GLU A 32 60.634 16.688 -0.268 1.00 2.19 C ATOM 493 O GLU A 32 60.912 17.744 -0.802 1.00 2.44 O ATOM 494 CB GLU A 32 58.466 16.395 0.977 1.00 3.02 C ATOM 495 CG GLU A 32 57.049 15.825 0.888 1.00 3.65 C ATOM 496 CD GLU A 32 56.218 16.330 2.069 1.00 4.03 C ATOM 497 OE1 GLU A 32 56.788 16.974 2.936 1.00 4.34 O ATOM 498 OE2 GLU A 32 55.028 16.067 2.087 1.00 4.40 O ATOM 0 H GLU A 32 59.458 14.138 0.433 1.00 2.22 H new ATOM 0 HA GLU A 32 58.724 16.581 -1.184 1.00 2.52 H new ATOM 0 HB2 GLU A 32 58.998 15.945 1.815 1.00 3.02 H new ATOM 0 HB3 GLU A 32 58.426 17.468 1.164 1.00 3.02 H new ATOM 0 HG2 GLU A 32 56.584 16.124 -0.051 1.00 3.65 H new ATOM 0 HG3 GLU A 32 57.083 14.736 0.894 1.00 3.65 H new ATOM 505 N ASP A 33 61.533 15.999 0.379 1.00 1.88 N ATOM 506 CA ASP A 33 62.934 16.504 0.472 1.00 1.82 C ATOM 507 C ASP A 33 63.875 15.611 -0.342 1.00 1.49 C ATOM 508 O ASP A 33 65.079 15.652 -0.182 1.00 1.70 O ATOM 509 CB ASP A 33 63.284 16.436 1.960 1.00 2.02 C ATOM 510 CG ASP A 33 62.864 15.078 2.525 1.00 2.43 C ATOM 511 OD1 ASP A 33 63.299 14.073 1.987 1.00 2.98 O ATOM 512 OD2 ASP A 33 62.116 15.066 3.489 1.00 2.79 O ATOM 0 H ASP A 33 61.360 15.109 0.847 1.00 1.88 H new ATOM 0 HA ASP A 33 63.034 17.515 0.076 1.00 1.82 H new ATOM 0 HB2 ASP A 33 64.355 16.583 2.099 1.00 2.02 H new ATOM 0 HB3 ASP A 33 62.779 17.237 2.500 1.00 2.02 H new ATOM 517 N GLY A 34 63.336 14.805 -1.216 1.00 1.25 N ATOM 518 CA GLY A 34 64.199 13.912 -2.040 1.00 1.06 C ATOM 519 C GLY A 34 64.634 12.707 -1.203 1.00 0.97 C ATOM 520 O GLY A 34 65.805 12.508 -0.944 1.00 1.19 O ATOM 0 H GLY A 34 62.335 14.726 -1.395 1.00 1.25 H new ATOM 0 HA2 GLY A 34 63.655 13.577 -2.923 1.00 1.06 H new ATOM 0 HA3 GLY A 34 65.074 14.458 -2.392 1.00 1.06 H new ATOM 524 N CYS A 35 63.701 11.900 -0.779 1.00 0.83 N ATOM 525 CA CYS A 35 64.063 10.707 0.041 1.00 0.79 C ATOM 526 C CYS A 35 63.195 9.511 -0.356 1.00 0.72 C ATOM 527 O CYS A 35 62.207 9.651 -1.049 1.00 0.75 O ATOM 528 CB CYS A 35 63.779 11.120 1.486 1.00 0.83 C ATOM 529 SG CYS A 35 65.290 11.778 2.234 1.00 1.87 S ATOM 0 H CYS A 35 62.704 12.014 -0.964 1.00 0.83 H new ATOM 0 HA CYS A 35 65.101 10.407 -0.101 1.00 0.79 H new ATOM 0 HB2 CYS A 35 62.990 11.872 1.512 1.00 0.83 H new ATOM 0 HB3 CYS A 35 63.421 10.263 2.057 1.00 0.83 H new ATOM 0 HG CYS A 35 65.148 13.052 2.450 1.00 1.87 H new ATOM 535 N ILE A 36 63.555 8.334 0.078 1.00 0.68 N ATOM 536 CA ILE A 36 62.749 7.128 -0.276 1.00 0.69 C ATOM 537 C ILE A 36 62.144 6.517 0.992 1.00 0.78 C ATOM 538 O ILE A 36 62.798 5.789 1.714 1.00 0.91 O ATOM 539 CB ILE A 36 63.731 6.144 -0.928 1.00 0.66 C ATOM 540 CG1 ILE A 36 64.805 6.904 -1.715 1.00 0.65 C ATOM 541 CG2 ILE A 36 62.970 5.226 -1.885 1.00 0.65 C ATOM 542 CD1 ILE A 36 65.844 5.913 -2.245 1.00 0.76 C ATOM 0 H ILE A 36 64.372 8.154 0.662 1.00 0.68 H new ATOM 0 HA ILE A 36 61.926 7.371 -0.948 1.00 0.69 H new ATOM 0 HB ILE A 36 64.210 5.556 -0.145 1.00 0.66 H new ATOM 0 HG12 ILE A 36 64.349 7.447 -2.543 1.00 0.65 H new ATOM 0 HG13 ILE A 36 65.285 7.644 -1.075 1.00 0.65 H new ATOM 0 HG21 ILE A 36 63.666 4.527 -2.349 1.00 0.65 H new ATOM 0 HG22 ILE A 36 62.213 4.671 -1.332 1.00 0.65 H new ATOM 0 HG23 ILE A 36 62.488 5.825 -2.658 1.00 0.65 H new ATOM 0 HD11 ILE A 36 66.608 6.452 -2.805 1.00 0.76 H new ATOM 0 HD12 ILE A 36 66.308 5.390 -1.409 1.00 0.76 H new ATOM 0 HD13 ILE A 36 65.357 5.190 -2.900 1.00 0.76 H new ATOM 554 N SER A 37 60.903 6.811 1.274 1.00 0.79 N ATOM 555 CA SER A 37 60.261 6.249 2.499 1.00 0.91 C ATOM 556 C SER A 37 59.980 4.754 2.318 1.00 0.85 C ATOM 557 O SER A 37 60.398 4.146 1.353 1.00 0.92 O ATOM 558 CB SER A 37 58.952 7.023 2.657 1.00 1.09 C ATOM 559 OG SER A 37 58.990 8.187 1.842 1.00 1.94 O ATOM 0 H SER A 37 60.306 7.416 0.710 1.00 0.79 H new ATOM 0 HA SER A 37 60.901 6.347 3.376 1.00 0.91 H new ATOM 0 HB2 SER A 37 58.108 6.394 2.373 1.00 1.09 H new ATOM 0 HB3 SER A 37 58.805 7.301 3.701 1.00 1.09 H new ATOM 0 HG SER A 37 58.410 8.060 1.062 1.00 1.94 H new ATOM 565 N THR A 38 59.274 4.159 3.243 1.00 0.88 N ATOM 566 CA THR A 38 58.965 2.704 3.126 1.00 1.02 C ATOM 567 C THR A 38 57.858 2.483 2.092 1.00 1.13 C ATOM 568 O THR A 38 58.004 1.705 1.170 1.00 1.48 O ATOM 569 CB THR A 38 58.489 2.279 4.518 1.00 1.12 C ATOM 570 OG1 THR A 38 57.142 2.692 4.702 1.00 1.47 O ATOM 571 CG2 THR A 38 59.373 2.924 5.587 1.00 1.25 C ATOM 0 H THR A 38 58.898 4.617 4.073 1.00 0.88 H new ATOM 0 HA THR A 38 59.829 2.126 2.800 1.00 1.02 H new ATOM 0 HB THR A 38 58.554 1.195 4.606 1.00 1.12 H new ATOM 0 HG1 THR A 38 56.835 2.419 5.592 1.00 1.47 H new ATOM 0 HG21 THR A 38 59.030 2.618 6.576 1.00 1.25 H new ATOM 0 HG22 THR A 38 60.406 2.605 5.446 1.00 1.25 H new ATOM 0 HG23 THR A 38 59.314 4.009 5.502 1.00 1.25 H new ATOM 579 N LYS A 39 56.753 3.161 2.237 1.00 1.09 N ATOM 580 CA LYS A 39 55.640 2.990 1.260 1.00 1.33 C ATOM 581 C LYS A 39 56.198 2.957 -0.165 1.00 1.20 C ATOM 582 O LYS A 39 55.643 2.332 -1.046 1.00 1.45 O ATOM 583 CB LYS A 39 54.745 4.214 1.459 1.00 1.57 C ATOM 584 CG LYS A 39 54.075 4.140 2.834 1.00 2.27 C ATOM 585 CD LYS A 39 53.313 2.819 2.964 1.00 2.86 C ATOM 586 CE LYS A 39 51.877 3.098 3.416 1.00 3.52 C ATOM 587 NZ LYS A 39 51.238 3.816 2.275 1.00 4.37 N ATOM 0 H LYS A 39 56.572 3.826 2.989 1.00 1.09 H new ATOM 0 HA LYS A 39 55.092 2.060 1.411 1.00 1.33 H new ATOM 0 HB2 LYS A 39 55.336 5.126 1.380 1.00 1.57 H new ATOM 0 HB3 LYS A 39 53.988 4.255 0.676 1.00 1.57 H new ATOM 0 HG2 LYS A 39 54.826 4.217 3.620 1.00 2.27 H new ATOM 0 HG3 LYS A 39 53.392 4.980 2.962 1.00 2.27 H new ATOM 0 HD2 LYS A 39 53.309 2.294 2.009 1.00 2.86 H new ATOM 0 HD3 LYS A 39 53.812 2.169 3.683 1.00 2.86 H new ATOM 0 HE2 LYS A 39 51.349 2.172 3.643 1.00 3.52 H new ATOM 0 HE3 LYS A 39 51.860 3.705 4.321 1.00 3.52 H new ATOM 0 HZ1 LYS A 39 50.234 3.550 2.216 1.00 4.37 H new ATOM 0 HZ2 LYS A 39 51.316 4.842 2.423 1.00 4.37 H new ATOM 0 HZ3 LYS A 39 51.717 3.557 1.389 1.00 4.37 H new ATOM 601 N GLU A 40 57.297 3.624 -0.393 1.00 0.96 N ATOM 602 CA GLU A 40 57.898 3.630 -1.758 1.00 0.95 C ATOM 603 C GLU A 40 59.077 2.655 -1.814 1.00 0.84 C ATOM 604 O GLU A 40 60.075 2.909 -2.457 1.00 0.95 O ATOM 605 CB GLU A 40 58.379 5.066 -1.975 1.00 1.08 C ATOM 606 CG GLU A 40 57.225 6.035 -1.715 1.00 1.33 C ATOM 607 CD GLU A 40 57.767 7.464 -1.641 1.00 1.85 C ATOM 608 OE1 GLU A 40 58.347 7.805 -0.623 1.00 2.70 O ATOM 609 OE2 GLU A 40 57.594 8.193 -2.603 1.00 1.99 O ATOM 0 H GLU A 40 57.805 4.165 0.307 1.00 0.96 H new ATOM 0 HA GLU A 40 57.188 3.320 -2.525 1.00 0.95 H new ATOM 0 HB2 GLU A 40 59.211 5.287 -1.307 1.00 1.08 H new ATOM 0 HB3 GLU A 40 58.747 5.187 -2.994 1.00 1.08 H new ATOM 0 HG2 GLU A 40 56.484 5.956 -2.510 1.00 1.33 H new ATOM 0 HG3 GLU A 40 56.722 5.777 -0.783 1.00 1.33 H new ATOM 616 N LEU A 41 58.968 1.540 -1.143 1.00 0.81 N ATOM 617 CA LEU A 41 60.082 0.549 -1.157 1.00 0.75 C ATOM 618 C LEU A 41 59.589 -0.786 -1.721 1.00 0.77 C ATOM 619 O LEU A 41 60.359 -1.580 -2.224 1.00 0.77 O ATOM 620 CB LEU A 41 60.495 0.398 0.308 1.00 0.82 C ATOM 621 CG LEU A 41 61.842 -0.325 0.393 1.00 0.89 C ATOM 622 CD1 LEU A 41 61.660 -1.794 0.005 1.00 1.10 C ATOM 623 CD2 LEU A 41 62.839 0.336 -0.563 1.00 1.20 C ATOM 0 H LEU A 41 58.156 1.273 -0.586 1.00 0.81 H new ATOM 0 HA LEU A 41 60.916 0.869 -1.782 1.00 0.75 H new ATOM 0 HB2 LEU A 41 60.568 1.379 0.778 1.00 0.82 H new ATOM 0 HB3 LEU A 41 59.736 -0.162 0.854 1.00 0.82 H new ATOM 0 HG LEU A 41 62.222 -0.264 1.413 1.00 0.89 H new ATOM 0 HD11 LEU A 41 62.619 -2.308 0.066 1.00 1.10 H new ATOM 0 HD12 LEU A 41 60.952 -2.265 0.687 1.00 1.10 H new ATOM 0 HD13 LEU A 41 61.279 -1.857 -1.014 1.00 1.10 H new ATOM 0 HD21 LEU A 41 63.798 -0.179 -0.502 1.00 1.20 H new ATOM 0 HD22 LEU A 41 62.459 0.276 -1.583 1.00 1.20 H new ATOM 0 HD23 LEU A 41 62.971 1.382 -0.285 1.00 1.20 H new ATOM 635 N GLY A 42 58.311 -1.038 -1.643 1.00 0.88 N ATOM 636 CA GLY A 42 57.768 -2.319 -2.179 1.00 1.02 C ATOM 637 C GLY A 42 57.917 -2.335 -3.700 1.00 0.99 C ATOM 638 O GLY A 42 58.781 -2.996 -4.242 1.00 1.11 O ATOM 0 H GLY A 42 57.619 -0.412 -1.231 1.00 0.88 H new ATOM 0 HA2 GLY A 42 58.300 -3.164 -1.741 1.00 1.02 H new ATOM 0 HA3 GLY A 42 56.719 -2.426 -1.904 1.00 1.02 H new ATOM 642 N LYS A 43 57.084 -1.610 -4.396 1.00 0.91 N ATOM 643 CA LYS A 43 57.185 -1.585 -5.883 1.00 1.00 C ATOM 644 C LYS A 43 58.640 -1.353 -6.300 1.00 0.84 C ATOM 645 O LYS A 43 59.070 -1.779 -7.354 1.00 0.89 O ATOM 646 CB LYS A 43 56.308 -0.414 -6.323 1.00 1.12 C ATOM 647 CG LYS A 43 56.911 0.897 -5.815 1.00 1.32 C ATOM 648 CD LYS A 43 55.823 1.971 -5.756 1.00 1.85 C ATOM 649 CE LYS A 43 55.149 2.090 -7.125 1.00 2.24 C ATOM 650 NZ LYS A 43 54.436 3.399 -7.096 1.00 2.80 N ATOM 0 H LYS A 43 56.340 -1.035 -4.001 1.00 0.91 H new ATOM 0 HA LYS A 43 56.864 -2.522 -6.338 1.00 1.00 H new ATOM 0 HB2 LYS A 43 56.230 -0.393 -7.410 1.00 1.12 H new ATOM 0 HB3 LYS A 43 55.297 -0.537 -5.933 1.00 1.12 H new ATOM 0 HG2 LYS A 43 57.346 0.750 -4.826 1.00 1.32 H new ATOM 0 HG3 LYS A 43 57.718 1.218 -6.474 1.00 1.32 H new ATOM 0 HD2 LYS A 43 55.085 1.715 -4.996 1.00 1.85 H new ATOM 0 HD3 LYS A 43 56.257 2.928 -5.468 1.00 1.85 H new ATOM 0 HE2 LYS A 43 55.884 2.059 -7.930 1.00 2.24 H new ATOM 0 HE3 LYS A 43 54.455 1.267 -7.295 1.00 2.24 H new ATOM 0 HZ1 LYS A 43 53.950 3.550 -8.003 1.00 2.80 H new ATOM 0 HZ2 LYS A 43 53.738 3.397 -6.325 1.00 2.80 H new ATOM 0 HZ3 LYS A 43 55.122 4.165 -6.940 1.00 2.80 H new ATOM 664 N VAL A 44 59.400 -0.687 -5.476 1.00 0.75 N ATOM 665 CA VAL A 44 60.826 -0.434 -5.820 1.00 0.68 C ATOM 666 C VAL A 44 61.593 -1.757 -5.851 1.00 0.68 C ATOM 667 O VAL A 44 62.427 -1.984 -6.705 1.00 0.76 O ATOM 668 CB VAL A 44 61.351 0.466 -4.702 1.00 0.72 C ATOM 669 CG1 VAL A 44 62.856 0.670 -4.877 1.00 1.10 C ATOM 670 CG2 VAL A 44 60.643 1.821 -4.765 1.00 1.70 C ATOM 0 H VAL A 44 59.095 -0.307 -4.580 1.00 0.75 H new ATOM 0 HA VAL A 44 60.943 0.030 -6.799 1.00 0.68 H new ATOM 0 HB VAL A 44 61.157 -0.002 -3.737 1.00 0.72 H new ATOM 0 HG11 VAL A 44 63.231 1.312 -4.080 1.00 1.10 H new ATOM 0 HG12 VAL A 44 63.361 -0.295 -4.834 1.00 1.10 H new ATOM 0 HG13 VAL A 44 63.050 1.139 -5.842 1.00 1.10 H new ATOM 0 HG21 VAL A 44 61.016 2.464 -3.968 1.00 1.70 H new ATOM 0 HG22 VAL A 44 60.838 2.289 -5.730 1.00 1.70 H new ATOM 0 HG23 VAL A 44 59.570 1.677 -4.642 1.00 1.70 H new ATOM 680 N MET A 45 61.311 -2.634 -4.927 1.00 0.79 N ATOM 681 CA MET A 45 62.017 -3.945 -4.906 1.00 0.99 C ATOM 682 C MET A 45 61.489 -4.835 -6.033 1.00 1.03 C ATOM 683 O MET A 45 62.151 -5.750 -6.477 1.00 1.16 O ATOM 684 CB MET A 45 61.689 -4.553 -3.541 1.00 1.26 C ATOM 685 CG MET A 45 62.638 -3.979 -2.487 1.00 1.54 C ATOM 686 SD MET A 45 64.153 -4.968 -2.434 1.00 2.11 S ATOM 687 CE MET A 45 65.030 -3.972 -1.204 1.00 1.74 C ATOM 0 H MET A 45 60.623 -2.499 -4.186 1.00 0.79 H new ATOM 0 HA MET A 45 63.092 -3.842 -5.053 1.00 0.99 H new ATOM 0 HB2 MET A 45 60.655 -4.335 -3.273 1.00 1.26 H new ATOM 0 HB3 MET A 45 61.786 -5.638 -3.581 1.00 1.26 H new ATOM 0 HG2 MET A 45 62.876 -2.942 -2.723 1.00 1.54 H new ATOM 0 HG3 MET A 45 62.156 -3.980 -1.509 1.00 1.54 H new ATOM 0 HE1 MET A 45 65.947 -4.482 -0.909 1.00 1.74 H new ATOM 0 HE2 MET A 45 65.277 -3.000 -1.632 1.00 1.74 H new ATOM 0 HE3 MET A 45 64.395 -3.832 -0.329 1.00 1.74 H new ATOM 697 N ARG A 46 60.299 -4.570 -6.500 1.00 1.05 N ATOM 698 CA ARG A 46 59.728 -5.398 -7.600 1.00 1.22 C ATOM 699 C ARG A 46 60.403 -5.047 -8.928 1.00 1.26 C ATOM 700 O ARG A 46 60.726 -5.911 -9.718 1.00 1.51 O ATOM 701 CB ARG A 46 58.242 -5.040 -7.636 1.00 1.28 C ATOM 702 CG ARG A 46 57.410 -6.286 -7.328 1.00 1.46 C ATOM 703 CD ARG A 46 55.989 -6.099 -7.864 1.00 1.98 C ATOM 704 NE ARG A 46 55.103 -6.332 -6.690 1.00 2.34 N ATOM 705 CZ ARG A 46 54.802 -7.550 -6.331 1.00 2.82 C ATOM 706 NH1 ARG A 46 55.591 -8.209 -5.527 1.00 3.34 N ATOM 707 NH2 ARG A 46 53.712 -8.111 -6.779 1.00 3.26 N ATOM 0 H ARG A 46 59.698 -3.816 -6.167 1.00 1.05 H new ATOM 0 HA ARG A 46 59.883 -6.465 -7.440 1.00 1.22 H new ATOM 0 HB2 ARG A 46 58.028 -4.257 -6.908 1.00 1.28 H new ATOM 0 HB3 ARG A 46 57.976 -4.645 -8.616 1.00 1.28 H new ATOM 0 HG2 ARG A 46 57.869 -7.164 -7.783 1.00 1.46 H new ATOM 0 HG3 ARG A 46 57.384 -6.462 -6.253 1.00 1.46 H new ATOM 0 HD2 ARG A 46 55.849 -5.098 -8.272 1.00 1.98 H new ATOM 0 HD3 ARG A 46 55.774 -6.804 -8.667 1.00 1.98 H new ATOM 0 HE ARG A 46 54.731 -5.539 -6.166 1.00 2.34 H new ATOM 0 HH11 ARG A 46 56.444 -7.772 -5.178 1.00 3.34 H new ATOM 0 HH12 ARG A 46 55.354 -9.161 -5.247 1.00 3.34 H new ATOM 0 HH21 ARG A 46 53.096 -7.597 -7.409 1.00 3.26 H new ATOM 0 HH22 ARG A 46 53.476 -9.063 -6.499 1.00 3.26 H new ATOM 721 N MET A 47 60.623 -3.783 -9.180 1.00 1.11 N ATOM 722 CA MET A 47 61.282 -3.385 -10.457 1.00 1.26 C ATOM 723 C MET A 47 62.783 -3.680 -10.385 1.00 1.19 C ATOM 724 O MET A 47 63.368 -4.204 -11.313 1.00 1.31 O ATOM 725 CB MET A 47 61.026 -1.879 -10.589 1.00 1.28 C ATOM 726 CG MET A 47 61.964 -1.106 -9.657 1.00 1.46 C ATOM 727 SD MET A 47 61.625 0.668 -9.797 1.00 1.99 S ATOM 728 CE MET A 47 63.000 1.077 -10.902 1.00 2.19 C ATOM 0 H MET A 47 60.376 -3.013 -8.559 1.00 1.11 H new ATOM 0 HA MET A 47 60.892 -3.933 -11.315 1.00 1.26 H new ATOM 0 HB2 MET A 47 61.183 -1.564 -11.620 1.00 1.28 H new ATOM 0 HB3 MET A 47 59.988 -1.655 -10.342 1.00 1.28 H new ATOM 0 HG2 MET A 47 61.823 -1.434 -8.627 1.00 1.46 H new ATOM 0 HG3 MET A 47 63.003 -1.311 -9.917 1.00 1.46 H new ATOM 0 HE1 MET A 47 62.820 2.049 -11.362 1.00 2.19 H new ATOM 0 HE2 MET A 47 63.928 1.112 -10.331 1.00 2.19 H new ATOM 0 HE3 MET A 47 63.081 0.317 -11.679 1.00 2.19 H new ATOM 738 N LEU A 48 63.409 -3.352 -9.288 1.00 1.09 N ATOM 739 CA LEU A 48 64.869 -3.618 -9.154 1.00 1.18 C ATOM 740 C LEU A 48 65.159 -5.102 -9.401 1.00 1.51 C ATOM 741 O LEU A 48 66.224 -5.469 -9.855 1.00 1.89 O ATOM 742 CB LEU A 48 65.207 -3.240 -7.712 1.00 1.18 C ATOM 743 CG LEU A 48 65.199 -1.717 -7.569 1.00 1.35 C ATOM 744 CD1 LEU A 48 65.349 -1.342 -6.093 1.00 2.05 C ATOM 745 CD2 LEU A 48 66.365 -1.125 -8.366 1.00 1.70 C ATOM 0 H LEU A 48 62.972 -2.911 -8.479 1.00 1.09 H new ATOM 0 HA LEU A 48 65.461 -3.053 -9.874 1.00 1.18 H new ATOM 0 HB2 LEU A 48 64.483 -3.684 -7.029 1.00 1.18 H new ATOM 0 HB3 LEU A 48 66.185 -3.636 -7.441 1.00 1.18 H new ATOM 0 HG LEU A 48 64.258 -1.321 -7.951 1.00 1.35 H new ATOM 0 HD11 LEU A 48 65.343 -0.257 -5.991 1.00 2.05 H new ATOM 0 HD12 LEU A 48 64.521 -1.764 -5.524 1.00 2.05 H new ATOM 0 HD13 LEU A 48 66.290 -1.737 -5.711 1.00 2.05 H new ATOM 0 HD21 LEU A 48 66.361 -0.040 -8.265 1.00 1.70 H new ATOM 0 HD22 LEU A 48 67.306 -1.521 -7.983 1.00 1.70 H new ATOM 0 HD23 LEU A 48 66.260 -1.392 -9.418 1.00 1.70 H new ATOM 757 N GLY A 49 64.217 -5.956 -9.106 1.00 1.56 N ATOM 758 CA GLY A 49 64.437 -7.414 -9.323 1.00 1.97 C ATOM 759 C GLY A 49 64.329 -8.153 -7.987 1.00 1.69 C ATOM 760 O GLY A 49 64.953 -9.174 -7.779 1.00 1.87 O ATOM 0 H GLY A 49 63.305 -5.707 -8.724 1.00 1.56 H new ATOM 0 HA2 GLY A 49 63.700 -7.803 -10.026 1.00 1.97 H new ATOM 0 HA3 GLY A 49 65.419 -7.582 -9.765 1.00 1.97 H new ATOM 764 N GLN A 50 63.541 -7.645 -7.080 1.00 1.38 N ATOM 765 CA GLN A 50 63.394 -8.317 -5.757 1.00 1.26 C ATOM 766 C GLN A 50 61.917 -8.580 -5.455 1.00 1.19 C ATOM 767 O GLN A 50 61.036 -8.060 -6.112 1.00 1.25 O ATOM 768 CB GLN A 50 63.979 -7.331 -4.746 1.00 1.39 C ATOM 769 CG GLN A 50 65.392 -6.932 -5.177 1.00 1.69 C ATOM 770 CD GLN A 50 66.406 -7.466 -4.163 1.00 2.12 C ATOM 771 OE1 GLN A 50 66.306 -8.595 -3.724 1.00 2.58 O ATOM 772 NE2 GLN A 50 67.384 -6.698 -3.770 1.00 2.76 N ATOM 0 H GLN A 50 62.992 -6.793 -7.197 1.00 1.38 H new ATOM 0 HA GLN A 50 63.900 -9.282 -5.727 1.00 1.26 H new ATOM 0 HB2 GLN A 50 63.346 -6.447 -4.677 1.00 1.39 H new ATOM 0 HB3 GLN A 50 64.004 -7.783 -3.755 1.00 1.39 H new ATOM 0 HG2 GLN A 50 65.608 -7.332 -6.168 1.00 1.69 H new ATOM 0 HG3 GLN A 50 65.469 -5.847 -5.247 1.00 1.69 H new ATOM 0 HE21 GLN A 50 67.468 -5.751 -4.138 1.00 2.76 H new ATOM 0 HE22 GLN A 50 68.065 -7.045 -3.094 1.00 2.76 H new ATOM 781 N ASN A 51 61.638 -9.385 -4.465 1.00 1.22 N ATOM 782 CA ASN A 51 60.219 -9.683 -4.118 1.00 1.29 C ATOM 783 C ASN A 51 60.061 -9.787 -2.599 1.00 1.25 C ATOM 784 O ASN A 51 59.768 -10.843 -2.075 1.00 1.41 O ATOM 785 CB ASN A 51 59.924 -11.029 -4.780 1.00 1.54 C ATOM 786 CG ASN A 51 60.937 -12.068 -4.296 1.00 1.88 C ATOM 787 OD1 ASN A 51 61.989 -11.722 -3.796 1.00 2.25 O ATOM 788 ND2 ASN A 51 60.663 -13.338 -4.423 1.00 2.57 N ATOM 0 H ASN A 51 62.333 -9.850 -3.881 1.00 1.22 H new ATOM 0 HA ASN A 51 59.537 -8.904 -4.458 1.00 1.29 H new ATOM 0 HB2 ASN A 51 58.912 -11.352 -4.537 1.00 1.54 H new ATOM 0 HB3 ASN A 51 59.976 -10.932 -5.864 1.00 1.54 H new ATOM 0 HD21 ASN A 51 61.332 -14.039 -4.103 1.00 2.57 H new ATOM 0 HD22 ASN A 51 59.780 -13.630 -4.843 1.00 2.57 H new ATOM 795 N PRO A 52 60.267 -8.678 -1.942 1.00 1.15 N ATOM 796 CA PRO A 52 60.152 -8.635 -0.465 1.00 1.20 C ATOM 797 C PRO A 52 58.681 -8.656 -0.043 1.00 1.33 C ATOM 798 O PRO A 52 57.794 -8.842 -0.851 1.00 1.45 O ATOM 799 CB PRO A 52 60.803 -7.306 -0.095 1.00 1.19 C ATOM 800 CG PRO A 52 60.673 -6.450 -1.317 1.00 1.20 C ATOM 801 CD PRO A 52 60.622 -7.373 -2.509 1.00 1.14 C ATOM 0 HA PRO A 52 60.622 -9.487 0.027 1.00 1.20 H new ATOM 0 HB2 PRO A 52 60.306 -6.849 0.760 1.00 1.19 H new ATOM 0 HB3 PRO A 52 61.849 -7.443 0.180 1.00 1.19 H new ATOM 0 HG2 PRO A 52 59.771 -5.840 -1.265 1.00 1.20 H new ATOM 0 HG3 PRO A 52 61.517 -5.765 -1.398 1.00 1.20 H new ATOM 0 HD2 PRO A 52 59.882 -7.041 -3.238 1.00 1.14 H new ATOM 0 HD3 PRO A 52 61.582 -7.411 -3.024 1.00 1.14 H new ATOM 809 N THR A 53 58.417 -8.466 1.220 1.00 1.39 N ATOM 810 CA THR A 53 57.005 -8.472 1.697 1.00 1.58 C ATOM 811 C THR A 53 56.690 -7.156 2.415 1.00 1.47 C ATOM 812 O THR A 53 57.584 -6.418 2.779 1.00 1.27 O ATOM 813 CB THR A 53 56.918 -9.651 2.669 1.00 1.77 C ATOM 814 OG1 THR A 53 57.798 -9.427 3.762 1.00 1.69 O ATOM 815 CG2 THR A 53 57.315 -10.938 1.948 1.00 1.97 C ATOM 0 H THR A 53 59.118 -8.307 1.943 1.00 1.39 H new ATOM 0 HA THR A 53 56.291 -8.569 0.879 1.00 1.58 H new ATOM 0 HB THR A 53 55.897 -9.744 3.038 1.00 1.77 H new ATOM 0 HG1 THR A 53 57.742 -10.180 4.386 1.00 1.69 H new ATOM 0 HG21 THR A 53 57.253 -11.777 2.641 1.00 1.97 H new ATOM 0 HG22 THR A 53 56.639 -11.109 1.110 1.00 1.97 H new ATOM 0 HG23 THR A 53 58.336 -10.848 1.578 1.00 1.97 H new ATOM 823 N PRO A 54 55.422 -6.907 2.592 1.00 1.64 N ATOM 824 CA PRO A 54 54.978 -5.667 3.274 1.00 1.63 C ATOM 825 C PRO A 54 55.288 -5.742 4.771 1.00 1.55 C ATOM 826 O PRO A 54 55.464 -4.737 5.430 1.00 1.47 O ATOM 827 CB PRO A 54 53.472 -5.643 3.026 1.00 1.92 C ATOM 828 CG PRO A 54 53.095 -7.071 2.796 1.00 2.08 C ATOM 829 CD PRO A 54 54.292 -7.748 2.183 1.00 1.93 C ATOM 0 HA PRO A 54 55.478 -4.771 2.907 1.00 1.63 H new ATOM 0 HB2 PRO A 54 52.938 -5.226 3.880 1.00 1.92 H new ATOM 0 HB3 PRO A 54 53.224 -5.025 2.163 1.00 1.92 H new ATOM 0 HG2 PRO A 54 52.818 -7.553 3.734 1.00 2.08 H new ATOM 0 HG3 PRO A 54 52.232 -7.140 2.134 1.00 2.08 H new ATOM 0 HD2 PRO A 54 54.403 -8.770 2.546 1.00 1.93 H new ATOM 0 HD3 PRO A 54 54.207 -7.803 1.098 1.00 1.93 H new ATOM 837 N GLU A 55 55.362 -6.928 5.311 1.00 1.61 N ATOM 838 CA GLU A 55 55.667 -7.067 6.764 1.00 1.58 C ATOM 839 C GLU A 55 57.145 -6.761 7.024 1.00 1.42 C ATOM 840 O GLU A 55 57.518 -6.300 8.085 1.00 1.36 O ATOM 841 CB GLU A 55 55.354 -8.526 7.097 1.00 1.74 C ATOM 842 CG GLU A 55 54.486 -8.590 8.356 1.00 2.16 C ATOM 843 CD GLU A 55 53.044 -8.224 8.000 1.00 2.56 C ATOM 844 OE1 GLU A 55 52.662 -8.446 6.863 1.00 2.83 O ATOM 845 OE2 GLU A 55 52.348 -7.728 8.870 1.00 3.10 O ATOM 0 H GLU A 55 55.225 -7.806 4.810 1.00 1.61 H new ATOM 0 HA GLU A 55 55.087 -6.377 7.377 1.00 1.58 H new ATOM 0 HB2 GLU A 55 54.836 -8.997 6.262 1.00 1.74 H new ATOM 0 HB3 GLU A 55 56.279 -9.081 7.252 1.00 1.74 H new ATOM 0 HG2 GLU A 55 54.523 -9.591 8.786 1.00 2.16 H new ATOM 0 HG3 GLU A 55 54.871 -7.905 9.111 1.00 2.16 H new ATOM 852 N GLU A 56 57.989 -7.012 6.059 1.00 1.38 N ATOM 853 CA GLU A 56 59.442 -6.735 6.247 1.00 1.26 C ATOM 854 C GLU A 56 59.764 -5.296 5.836 1.00 1.14 C ATOM 855 O GLU A 56 60.558 -4.623 6.464 1.00 1.07 O ATOM 856 CB GLU A 56 60.153 -7.727 5.326 1.00 1.32 C ATOM 857 CG GLU A 56 60.842 -8.804 6.165 1.00 2.10 C ATOM 858 CD GLU A 56 59.820 -9.865 6.577 1.00 2.79 C ATOM 859 OE1 GLU A 56 58.937 -9.539 7.355 1.00 3.18 O ATOM 860 OE2 GLU A 56 59.935 -10.985 6.108 1.00 3.40 O ATOM 0 H GLU A 56 57.735 -7.397 5.149 1.00 1.38 H new ATOM 0 HA GLU A 56 59.754 -6.845 7.286 1.00 1.26 H new ATOM 0 HB2 GLU A 56 59.435 -8.186 4.646 1.00 1.32 H new ATOM 0 HB3 GLU A 56 60.887 -7.206 4.711 1.00 1.32 H new ATOM 0 HG2 GLU A 56 61.648 -9.264 5.594 1.00 2.10 H new ATOM 0 HG3 GLU A 56 61.294 -8.356 7.050 1.00 2.10 H new ATOM 867 N LEU A 57 59.153 -4.820 4.786 1.00 1.17 N ATOM 868 CA LEU A 57 59.419 -3.424 4.332 1.00 1.13 C ATOM 869 C LEU A 57 59.485 -2.478 5.533 1.00 1.06 C ATOM 870 O LEU A 57 60.517 -1.914 5.838 1.00 1.02 O ATOM 871 CB LEU A 57 58.230 -3.068 3.439 1.00 1.24 C ATOM 872 CG LEU A 57 58.724 -2.769 2.025 1.00 1.41 C ATOM 873 CD1 LEU A 57 59.335 -4.034 1.419 1.00 1.93 C ATOM 874 CD2 LEU A 57 57.546 -2.310 1.163 1.00 1.87 C ATOM 0 H LEU A 57 58.480 -5.338 4.221 1.00 1.17 H new ATOM 0 HA LEU A 57 60.370 -3.336 3.806 1.00 1.13 H new ATOM 0 HB2 LEU A 57 57.517 -3.892 3.419 1.00 1.24 H new ATOM 0 HB3 LEU A 57 57.705 -2.202 3.843 1.00 1.24 H new ATOM 0 HG LEU A 57 59.479 -1.983 2.062 1.00 1.41 H new ATOM 0 HD11 LEU A 57 59.687 -3.820 0.410 1.00 1.93 H new ATOM 0 HD12 LEU A 57 60.173 -4.364 2.034 1.00 1.93 H new ATOM 0 HD13 LEU A 57 58.581 -4.820 1.381 1.00 1.93 H new ATOM 0 HD21 LEU A 57 57.896 -2.096 0.153 1.00 1.87 H new ATOM 0 HD22 LEU A 57 56.793 -3.097 1.127 1.00 1.87 H new ATOM 0 HD23 LEU A 57 57.109 -1.409 1.594 1.00 1.87 H new ATOM 886 N GLN A 58 58.386 -2.297 6.214 1.00 1.09 N ATOM 887 CA GLN A 58 58.379 -1.386 7.394 1.00 1.08 C ATOM 888 C GLN A 58 59.352 -1.891 8.463 1.00 1.04 C ATOM 889 O GLN A 58 60.140 -1.141 9.003 1.00 1.05 O ATOM 890 CB GLN A 58 56.941 -1.430 7.913 1.00 1.15 C ATOM 891 CG GLN A 58 56.653 -0.169 8.731 1.00 1.39 C ATOM 892 CD GLN A 58 57.687 -0.035 9.849 1.00 1.62 C ATOM 893 OE1 GLN A 58 57.909 -0.962 10.603 1.00 2.20 O ATOM 894 NE2 GLN A 58 58.336 1.089 9.989 1.00 1.88 N ATOM 0 H GLN A 58 57.492 -2.741 6.004 1.00 1.09 H new ATOM 0 HA GLN A 58 58.692 -0.374 7.137 1.00 1.08 H new ATOM 0 HB2 GLN A 58 56.244 -1.501 7.078 1.00 1.15 H new ATOM 0 HB3 GLN A 58 56.793 -2.317 8.529 1.00 1.15 H new ATOM 0 HG2 GLN A 58 56.684 0.710 8.086 1.00 1.39 H new ATOM 0 HG3 GLN A 58 55.650 -0.219 9.154 1.00 1.39 H new ATOM 0 HE21 GLN A 58 58.150 1.867 9.357 1.00 1.88 H new ATOM 0 HE22 GLN A 58 59.029 1.189 10.731 1.00 1.88 H new ATOM 903 N GLU A 59 59.300 -3.156 8.776 1.00 1.07 N ATOM 904 CA GLU A 59 60.221 -3.706 9.813 1.00 1.09 C ATOM 905 C GLU A 59 61.676 -3.402 9.448 1.00 1.07 C ATOM 906 O GLU A 59 62.376 -2.715 10.165 1.00 1.08 O ATOM 907 CB GLU A 59 59.971 -5.215 9.803 1.00 1.17 C ATOM 908 CG GLU A 59 60.158 -5.772 11.216 1.00 1.28 C ATOM 909 CD GLU A 59 58.851 -6.408 11.692 1.00 1.84 C ATOM 910 OE1 GLU A 59 57.803 -5.906 11.323 1.00 2.48 O ATOM 911 OE2 GLU A 59 58.922 -7.387 12.417 1.00 2.18 O ATOM 0 H GLU A 59 58.661 -3.833 8.360 1.00 1.07 H new ATOM 0 HA GLU A 59 60.043 -3.268 10.795 1.00 1.09 H new ATOM 0 HB2 GLU A 59 58.962 -5.425 9.448 1.00 1.17 H new ATOM 0 HB3 GLU A 59 60.659 -5.704 9.114 1.00 1.17 H new ATOM 0 HG2 GLU A 59 60.958 -6.512 11.224 1.00 1.28 H new ATOM 0 HG3 GLU A 59 60.455 -4.974 11.896 1.00 1.28 H new ATOM 918 N MET A 60 62.139 -3.916 8.341 1.00 1.08 N ATOM 919 CA MET A 60 63.552 -3.663 7.932 1.00 1.09 C ATOM 920 C MET A 60 63.885 -2.172 8.033 1.00 1.10 C ATOM 921 O MET A 60 64.640 -1.752 8.888 1.00 1.47 O ATOM 922 CB MET A 60 63.629 -4.130 6.478 1.00 1.09 C ATOM 923 CG MET A 60 64.708 -5.206 6.346 1.00 1.42 C ATOM 924 SD MET A 60 64.367 -6.548 7.512 1.00 1.89 S ATOM 925 CE MET A 60 63.936 -7.808 6.286 1.00 1.71 C ATOM 0 H MET A 60 61.601 -4.500 7.701 1.00 1.08 H new ATOM 0 HA MET A 60 64.263 -4.186 8.572 1.00 1.09 H new ATOM 0 HB2 MET A 60 62.664 -4.526 6.160 1.00 1.09 H new ATOM 0 HB3 MET A 60 63.858 -3.287 5.826 1.00 1.09 H new ATOM 0 HG2 MET A 60 64.729 -5.592 5.327 1.00 1.42 H new ATOM 0 HG3 MET A 60 65.690 -4.778 6.545 1.00 1.42 H new ATOM 0 HE1 MET A 60 63.550 -8.692 6.793 1.00 1.71 H new ATOM 0 HE2 MET A 60 63.175 -7.415 5.612 1.00 1.71 H new ATOM 0 HE3 MET A 60 64.824 -8.077 5.713 1.00 1.71 H new ATOM 935 N ILE A 61 63.333 -1.368 7.166 1.00 0.91 N ATOM 936 CA ILE A 61 63.626 0.093 7.212 1.00 0.95 C ATOM 937 C ILE A 61 63.557 0.606 8.654 1.00 0.94 C ATOM 938 O ILE A 61 64.188 1.582 9.005 1.00 1.06 O ATOM 939 CB ILE A 61 62.538 0.742 6.360 1.00 1.03 C ATOM 940 CG1 ILE A 61 62.837 0.494 4.879 1.00 1.35 C ATOM 941 CG2 ILE A 61 62.509 2.248 6.626 1.00 1.55 C ATOM 942 CD1 ILE A 61 61.524 0.439 4.096 1.00 1.56 C ATOM 0 H ILE A 61 62.692 -1.659 6.428 1.00 0.91 H new ATOM 0 HA ILE A 61 64.625 0.324 6.843 1.00 0.95 H new ATOM 0 HB ILE A 61 61.571 0.310 6.616 1.00 1.03 H new ATOM 0 HG12 ILE A 61 63.473 1.288 4.488 1.00 1.35 H new ATOM 0 HG13 ILE A 61 63.384 -0.441 4.759 1.00 1.35 H new ATOM 0 HG21 ILE A 61 61.732 2.710 6.017 1.00 1.55 H new ATOM 0 HG22 ILE A 61 62.299 2.427 7.680 1.00 1.55 H new ATOM 0 HG23 ILE A 61 63.476 2.681 6.370 1.00 1.55 H new ATOM 0 HD11 ILE A 61 61.736 0.262 3.042 1.00 1.56 H new ATOM 0 HD12 ILE A 61 60.904 -0.370 4.482 1.00 1.56 H new ATOM 0 HD13 ILE A 61 60.995 1.386 4.206 1.00 1.56 H new ATOM 954 N ASP A 62 62.794 -0.042 9.489 1.00 1.09 N ATOM 955 CA ASP A 62 62.685 0.412 10.905 1.00 1.09 C ATOM 956 C ASP A 62 63.771 -0.248 11.759 1.00 1.11 C ATOM 957 O ASP A 62 63.720 -0.225 12.974 1.00 1.24 O ATOM 958 CB ASP A 62 61.297 -0.037 11.360 1.00 1.22 C ATOM 959 CG ASP A 62 60.911 0.705 12.642 1.00 1.40 C ATOM 960 OD1 ASP A 62 61.419 1.795 12.848 1.00 1.91 O ATOM 961 OD2 ASP A 62 60.115 0.171 13.395 1.00 1.87 O ATOM 0 H ASP A 62 62.241 -0.866 9.253 1.00 1.09 H new ATOM 0 HA ASP A 62 62.817 1.490 11.004 1.00 1.09 H new ATOM 0 HB2 ASP A 62 60.565 0.163 10.578 1.00 1.22 H new ATOM 0 HB3 ASP A 62 61.291 -1.113 11.535 1.00 1.22 H new ATOM 966 N GLU A 63 64.753 -0.839 11.135 1.00 1.18 N ATOM 967 CA GLU A 63 65.838 -1.502 11.906 1.00 1.31 C ATOM 968 C GLU A 63 67.203 -0.970 11.447 1.00 1.18 C ATOM 969 O GLU A 63 68.055 -0.643 12.249 1.00 1.41 O ATOM 970 CB GLU A 63 65.673 -2.994 11.584 1.00 1.50 C ATOM 971 CG GLU A 63 67.033 -3.697 11.585 1.00 1.93 C ATOM 972 CD GLU A 63 66.878 -5.113 12.141 1.00 1.91 C ATOM 973 OE1 GLU A 63 66.653 -5.239 13.334 1.00 2.33 O ATOM 974 OE2 GLU A 63 66.987 -6.048 11.366 1.00 2.24 O ATOM 0 H GLU A 63 64.849 -0.890 10.121 1.00 1.18 H new ATOM 0 HA GLU A 63 65.784 -1.315 12.978 1.00 1.31 H new ATOM 0 HB2 GLU A 63 65.016 -3.460 12.318 1.00 1.50 H new ATOM 0 HB3 GLU A 63 65.197 -3.111 10.610 1.00 1.50 H new ATOM 0 HG2 GLU A 63 67.435 -3.735 10.572 1.00 1.93 H new ATOM 0 HG3 GLU A 63 67.744 -3.134 12.189 1.00 1.93 H new ATOM 981 N VAL A 64 67.415 -0.884 10.162 1.00 0.93 N ATOM 982 CA VAL A 64 68.723 -0.378 9.656 1.00 0.92 C ATOM 983 C VAL A 64 68.821 1.138 9.856 1.00 0.95 C ATOM 984 O VAL A 64 69.880 1.671 10.118 1.00 1.37 O ATOM 985 CB VAL A 64 68.737 -0.734 8.166 1.00 0.91 C ATOM 986 CG1 VAL A 64 67.878 0.263 7.383 1.00 1.66 C ATOM 987 CG2 VAL A 64 70.175 -0.685 7.648 1.00 1.51 C ATOM 0 H VAL A 64 66.740 -1.142 9.442 1.00 0.93 H new ATOM 0 HA VAL A 64 69.569 -0.817 10.185 1.00 0.92 H new ATOM 0 HB VAL A 64 68.331 -1.737 8.032 1.00 0.91 H new ATOM 0 HG11 VAL A 64 67.893 0.003 6.324 1.00 1.66 H new ATOM 0 HG12 VAL A 64 66.853 0.227 7.751 1.00 1.66 H new ATOM 0 HG13 VAL A 64 68.276 1.269 7.515 1.00 1.66 H new ATOM 0 HG21 VAL A 64 70.189 -0.938 6.588 1.00 1.51 H new ATOM 0 HG22 VAL A 64 70.578 0.318 7.787 1.00 1.51 H new ATOM 0 HG23 VAL A 64 70.785 -1.400 8.200 1.00 1.51 H new ATOM 997 N ASP A 65 67.725 1.835 9.732 1.00 0.96 N ATOM 998 CA ASP A 65 67.758 3.314 9.913 1.00 1.02 C ATOM 999 C ASP A 65 68.621 3.679 11.124 1.00 1.06 C ATOM 1000 O ASP A 65 68.271 3.400 12.254 1.00 1.22 O ATOM 1001 CB ASP A 65 66.302 3.717 10.152 1.00 1.24 C ATOM 1002 CG ASP A 65 65.910 4.833 9.180 1.00 1.68 C ATOM 1003 OD1 ASP A 65 66.677 5.097 8.270 1.00 2.50 O ATOM 1004 OD2 ASP A 65 64.848 5.405 9.364 1.00 1.96 O ATOM 0 H ASP A 65 66.808 1.445 9.513 1.00 0.96 H new ATOM 0 HA ASP A 65 68.186 3.826 9.051 1.00 1.02 H new ATOM 0 HB2 ASP A 65 65.649 2.855 10.014 1.00 1.24 H new ATOM 0 HB3 ASP A 65 66.172 4.055 11.180 1.00 1.24 H new ATOM 1009 N GLU A 66 69.745 4.301 10.899 1.00 1.15 N ATOM 1010 CA GLU A 66 70.626 4.682 12.041 1.00 1.37 C ATOM 1011 C GLU A 66 70.090 5.945 12.722 1.00 1.34 C ATOM 1012 O GLU A 66 70.246 6.134 13.911 1.00 1.62 O ATOM 1013 CB GLU A 66 71.996 4.949 11.413 1.00 1.74 C ATOM 1014 CG GLU A 66 73.093 4.488 12.373 1.00 1.95 C ATOM 1015 CD GLU A 66 74.387 4.246 11.593 1.00 2.73 C ATOM 1016 OE1 GLU A 66 74.519 4.806 10.516 1.00 3.39 O ATOM 1017 OE2 GLU A 66 75.223 3.507 12.085 1.00 3.12 O ATOM 0 H GLU A 66 70.092 4.562 9.976 1.00 1.15 H new ATOM 0 HA GLU A 66 70.673 3.906 12.805 1.00 1.37 H new ATOM 0 HB2 GLU A 66 72.082 4.420 10.464 1.00 1.74 H new ATOM 0 HB3 GLU A 66 72.109 6.012 11.198 1.00 1.74 H new ATOM 0 HG2 GLU A 66 73.256 5.241 13.144 1.00 1.95 H new ATOM 0 HG3 GLU A 66 72.786 3.574 12.881 1.00 1.95 H new ATOM 1024 N ASP A 67 69.457 6.810 11.976 1.00 1.42 N ATOM 1025 CA ASP A 67 68.910 8.056 12.583 1.00 1.67 C ATOM 1026 C ASP A 67 67.497 7.806 13.116 1.00 1.70 C ATOM 1027 O ASP A 67 67.127 8.281 14.172 1.00 2.12 O ATOM 1028 CB ASP A 67 68.882 9.075 11.443 1.00 2.50 C ATOM 1029 CG ASP A 67 67.964 8.568 10.329 1.00 3.17 C ATOM 1030 OD1 ASP A 67 67.816 7.363 10.212 1.00 3.45 O ATOM 1031 OD2 ASP A 67 67.425 9.394 9.611 1.00 3.83 O ATOM 0 H ASP A 67 69.296 6.707 10.974 1.00 1.42 H new ATOM 0 HA ASP A 67 69.510 8.404 13.424 1.00 1.67 H new ATOM 0 HB2 ASP A 67 68.528 10.038 11.810 1.00 2.50 H new ATOM 0 HB3 ASP A 67 69.889 9.232 11.056 1.00 2.50 H new ATOM 1036 N GLY A 68 66.705 7.061 12.394 1.00 1.77 N ATOM 1037 CA GLY A 68 65.318 6.779 12.859 1.00 2.43 C ATOM 1038 C GLY A 68 64.356 7.803 12.254 1.00 2.01 C ATOM 1039 O GLY A 68 63.328 8.117 12.824 1.00 2.65 O ATOM 0 H GLY A 68 66.959 6.636 11.502 1.00 1.77 H new ATOM 0 HA2 GLY A 68 65.023 5.771 12.567 1.00 2.43 H new ATOM 0 HA3 GLY A 68 65.273 6.821 13.947 1.00 2.43 H new ATOM 1043 N SER A 69 64.680 8.328 11.105 1.00 1.59 N ATOM 1044 CA SER A 69 63.783 9.333 10.465 1.00 1.99 C ATOM 1045 C SER A 69 62.586 8.634 9.812 1.00 1.42 C ATOM 1046 O SER A 69 61.622 9.264 9.425 1.00 1.97 O ATOM 1047 CB SER A 69 64.648 10.018 9.408 1.00 2.89 C ATOM 1048 OG SER A 69 64.934 9.096 8.365 1.00 3.53 O ATOM 0 H SER A 69 65.526 8.105 10.581 1.00 1.59 H new ATOM 0 HA SER A 69 63.379 10.045 11.185 1.00 1.99 H new ATOM 0 HB2 SER A 69 64.130 10.889 9.007 1.00 2.89 H new ATOM 0 HB3 SER A 69 65.575 10.376 9.856 1.00 2.89 H new ATOM 1054 N GLY A 70 62.642 7.337 9.687 1.00 1.23 N ATOM 1055 CA GLY A 70 61.509 6.598 9.061 1.00 1.51 C ATOM 1056 C GLY A 70 61.718 6.522 7.547 1.00 1.28 C ATOM 1057 O GLY A 70 61.480 5.503 6.930 1.00 1.42 O ATOM 0 H GLY A 70 63.423 6.756 9.991 1.00 1.23 H new ATOM 0 HA2 GLY A 70 61.441 5.594 9.480 1.00 1.51 H new ATOM 0 HA3 GLY A 70 60.567 7.100 9.283 1.00 1.51 H new ATOM 1061 N THR A 71 62.160 7.591 6.943 1.00 1.12 N ATOM 1062 CA THR A 71 62.382 7.575 5.468 1.00 0.98 C ATOM 1063 C THR A 71 63.803 7.103 5.151 1.00 0.88 C ATOM 1064 O THR A 71 64.703 7.222 5.959 1.00 0.92 O ATOM 1065 CB THR A 71 62.186 9.023 5.020 1.00 1.11 C ATOM 1066 OG1 THR A 71 63.232 9.826 5.551 1.00 1.83 O ATOM 1067 CG2 THR A 71 60.838 9.540 5.523 1.00 1.34 C ATOM 0 H THR A 71 62.377 8.474 7.406 1.00 1.12 H new ATOM 0 HA THR A 71 61.700 6.895 4.957 1.00 0.98 H new ATOM 0 HB THR A 71 62.205 9.072 3.931 1.00 1.11 H new ATOM 0 HG1 THR A 71 63.109 10.755 5.264 1.00 1.83 H new ATOM 0 HG21 THR A 71 60.702 10.573 5.202 1.00 1.34 H new ATOM 0 HG22 THR A 71 60.037 8.924 5.115 1.00 1.34 H new ATOM 0 HG23 THR A 71 60.813 9.492 6.612 1.00 1.34 H new ATOM 1075 N VAL A 72 64.012 6.566 3.980 1.00 0.83 N ATOM 1076 CA VAL A 72 65.373 6.085 3.611 1.00 0.76 C ATOM 1077 C VAL A 72 65.921 6.910 2.443 1.00 0.68 C ATOM 1078 O VAL A 72 65.302 7.015 1.403 1.00 0.72 O ATOM 1079 CB VAL A 72 65.184 4.624 3.190 1.00 0.79 C ATOM 1080 CG1 VAL A 72 66.519 3.893 3.300 1.00 0.87 C ATOM 1081 CG2 VAL A 72 64.160 3.945 4.106 1.00 1.02 C ATOM 0 H VAL A 72 63.298 6.440 3.262 1.00 0.83 H new ATOM 0 HA VAL A 72 66.081 6.181 4.434 1.00 0.76 H new ATOM 0 HB VAL A 72 64.825 4.590 2.162 1.00 0.79 H new ATOM 0 HG11 VAL A 72 66.390 2.853 3.001 1.00 0.87 H new ATOM 0 HG12 VAL A 72 67.250 4.370 2.647 1.00 0.87 H new ATOM 0 HG13 VAL A 72 66.872 3.934 4.330 1.00 0.87 H new ATOM 0 HG21 VAL A 72 64.031 2.907 3.801 1.00 1.02 H new ATOM 0 HG22 VAL A 72 64.515 3.979 5.136 1.00 1.02 H new ATOM 0 HG23 VAL A 72 63.205 4.466 4.034 1.00 1.02 H new ATOM 1091 N ASP A 73 67.074 7.499 2.607 1.00 0.72 N ATOM 1092 CA ASP A 73 67.655 8.317 1.503 1.00 0.76 C ATOM 1093 C ASP A 73 68.666 7.485 0.702 1.00 0.83 C ATOM 1094 O ASP A 73 68.295 6.698 -0.145 1.00 1.49 O ATOM 1095 CB ASP A 73 68.338 9.495 2.202 1.00 0.98 C ATOM 1096 CG ASP A 73 68.982 10.407 1.155 1.00 1.30 C ATOM 1097 OD1 ASP A 73 68.292 10.784 0.222 1.00 1.99 O ATOM 1098 OD2 ASP A 73 70.153 10.714 1.305 1.00 1.89 O ATOM 0 H ASP A 73 67.638 7.450 3.455 1.00 0.72 H new ATOM 0 HA ASP A 73 66.901 8.655 0.792 1.00 0.76 H new ATOM 0 HB2 ASP A 73 67.610 10.055 2.789 1.00 0.98 H new ATOM 0 HB3 ASP A 73 69.095 9.130 2.897 1.00 0.98 H new ATOM 1103 N PHE A 74 69.938 7.647 0.958 1.00 0.67 N ATOM 1104 CA PHE A 74 70.955 6.857 0.204 1.00 0.64 C ATOM 1105 C PHE A 74 71.837 6.069 1.174 1.00 0.73 C ATOM 1106 O PHE A 74 71.881 4.854 1.142 1.00 0.87 O ATOM 1107 CB PHE A 74 71.782 7.895 -0.557 1.00 0.79 C ATOM 1108 CG PHE A 74 72.272 7.295 -1.853 1.00 0.86 C ATOM 1109 CD1 PHE A 74 73.090 6.159 -1.834 1.00 1.68 C ATOM 1110 CD2 PHE A 74 71.904 7.873 -3.075 1.00 1.33 C ATOM 1111 CE1 PHE A 74 73.542 5.603 -3.036 1.00 1.78 C ATOM 1112 CE2 PHE A 74 72.356 7.316 -4.277 1.00 1.45 C ATOM 1113 CZ PHE A 74 73.175 6.181 -4.257 1.00 1.20 C ATOM 0 H PHE A 74 70.315 8.290 1.654 1.00 0.67 H new ATOM 0 HA PHE A 74 70.498 6.131 -0.469 1.00 0.64 H new ATOM 0 HB2 PHE A 74 71.178 8.780 -0.759 1.00 0.79 H new ATOM 0 HB3 PHE A 74 72.628 8.218 0.050 1.00 0.79 H new ATOM 0 HD1 PHE A 74 73.372 5.712 -0.892 1.00 1.68 H new ATOM 0 HD2 PHE A 74 71.272 8.748 -3.090 1.00 1.33 H new ATOM 0 HE1 PHE A 74 74.174 4.728 -3.022 1.00 1.78 H new ATOM 0 HE2 PHE A 74 72.073 7.762 -5.219 1.00 1.45 H new ATOM 0 HZ PHE A 74 73.524 5.751 -5.184 1.00 1.20 H new ATOM 1123 N ASP A 75 72.539 6.748 2.040 1.00 0.94 N ATOM 1124 CA ASP A 75 73.415 6.035 3.013 1.00 1.11 C ATOM 1125 C ASP A 75 72.609 4.967 3.757 1.00 0.90 C ATOM 1126 O ASP A 75 73.085 3.876 4.006 1.00 0.94 O ATOM 1127 CB ASP A 75 73.895 7.117 3.980 1.00 1.45 C ATOM 1128 CG ASP A 75 74.493 6.462 5.226 1.00 2.16 C ATOM 1129 OD1 ASP A 75 73.740 5.866 5.978 1.00 2.66 O ATOM 1130 OD2 ASP A 75 75.694 6.567 5.408 1.00 2.78 O ATOM 0 H ASP A 75 72.544 7.765 2.116 1.00 0.94 H new ATOM 0 HA ASP A 75 74.248 5.526 2.528 1.00 1.11 H new ATOM 0 HB2 ASP A 75 74.640 7.748 3.495 1.00 1.45 H new ATOM 0 HB3 ASP A 75 73.063 7.764 4.260 1.00 1.45 H new ATOM 1135 N GLU A 76 71.391 5.272 4.110 1.00 0.81 N ATOM 1136 CA GLU A 76 70.550 4.277 4.833 1.00 0.76 C ATOM 1137 C GLU A 76 69.912 3.305 3.837 1.00 0.62 C ATOM 1138 O GLU A 76 69.723 2.140 4.124 1.00 0.61 O ATOM 1139 CB GLU A 76 69.474 5.106 5.536 1.00 0.93 C ATOM 1140 CG GLU A 76 70.134 6.246 6.312 1.00 1.09 C ATOM 1141 CD GLU A 76 69.067 7.248 6.758 1.00 1.59 C ATOM 1142 OE1 GLU A 76 68.276 7.653 5.922 1.00 2.25 O ATOM 1143 OE2 GLU A 76 69.059 7.594 7.929 1.00 1.93 O ATOM 0 H GLU A 76 70.941 6.169 3.929 1.00 0.81 H new ATOM 0 HA GLU A 76 71.129 3.679 5.537 1.00 0.76 H new ATOM 0 HB2 GLU A 76 68.774 5.508 4.804 1.00 0.93 H new ATOM 0 HB3 GLU A 76 68.899 4.475 6.214 1.00 0.93 H new ATOM 0 HG2 GLU A 76 70.662 5.851 7.180 1.00 1.09 H new ATOM 0 HG3 GLU A 76 70.876 6.743 5.687 1.00 1.09 H new ATOM 1150 N PHE A 77 69.581 3.777 2.667 1.00 0.59 N ATOM 1151 CA PHE A 77 68.956 2.885 1.648 1.00 0.57 C ATOM 1152 C PHE A 77 69.939 1.791 1.224 1.00 0.59 C ATOM 1153 O PHE A 77 69.562 0.659 0.999 1.00 0.71 O ATOM 1154 CB PHE A 77 68.630 3.803 0.470 1.00 0.62 C ATOM 1155 CG PHE A 77 67.620 3.131 -0.430 1.00 0.72 C ATOM 1156 CD1 PHE A 77 68.049 2.249 -1.430 1.00 1.42 C ATOM 1157 CD2 PHE A 77 66.254 3.392 -0.266 1.00 1.51 C ATOM 1158 CE1 PHE A 77 67.113 1.627 -2.264 1.00 1.60 C ATOM 1159 CE2 PHE A 77 65.318 2.769 -1.100 1.00 1.76 C ATOM 1160 CZ PHE A 77 65.747 1.886 -2.099 1.00 1.37 C ATOM 0 H PHE A 77 69.716 4.744 2.371 1.00 0.59 H new ATOM 0 HA PHE A 77 68.069 2.379 2.029 1.00 0.57 H new ATOM 0 HB2 PHE A 77 68.234 4.751 0.833 1.00 0.62 H new ATOM 0 HB3 PHE A 77 69.537 4.030 -0.090 1.00 0.62 H new ATOM 0 HD1 PHE A 77 69.103 2.049 -1.557 1.00 1.42 H new ATOM 0 HD2 PHE A 77 65.923 4.074 0.504 1.00 1.51 H new ATOM 0 HE1 PHE A 77 67.444 0.947 -3.035 1.00 1.60 H new ATOM 0 HE2 PHE A 77 64.264 2.969 -0.973 1.00 1.76 H new ATOM 0 HZ PHE A 77 65.024 1.405 -2.742 1.00 1.37 H new ATOM 1170 N LEU A 78 71.197 2.120 1.111 1.00 0.57 N ATOM 1171 CA LEU A 78 72.201 1.096 0.699 1.00 0.62 C ATOM 1172 C LEU A 78 72.420 0.080 1.823 1.00 0.61 C ATOM 1173 O LEU A 78 72.557 -1.104 1.584 1.00 0.68 O ATOM 1174 CB LEU A 78 73.483 1.884 0.429 1.00 0.66 C ATOM 1175 CG LEU A 78 73.521 2.304 -1.040 1.00 0.73 C ATOM 1176 CD1 LEU A 78 74.803 3.093 -1.314 1.00 1.10 C ATOM 1177 CD2 LEU A 78 73.492 1.057 -1.928 1.00 1.34 C ATOM 0 H LEU A 78 71.573 3.052 1.286 1.00 0.57 H new ATOM 0 HA LEU A 78 71.877 0.532 -0.176 1.00 0.62 H new ATOM 0 HB2 LEU A 78 73.524 2.764 1.071 1.00 0.66 H new ATOM 0 HB3 LEU A 78 74.355 1.274 0.667 1.00 0.66 H new ATOM 0 HG LEU A 78 72.656 2.929 -1.260 1.00 0.73 H new ATOM 0 HD11 LEU A 78 74.829 3.392 -2.362 1.00 1.10 H new ATOM 0 HD12 LEU A 78 74.826 3.981 -0.682 1.00 1.10 H new ATOM 0 HD13 LEU A 78 75.669 2.469 -1.093 1.00 1.10 H new ATOM 0 HD21 LEU A 78 73.519 1.356 -2.976 1.00 1.34 H new ATOM 0 HD22 LEU A 78 74.357 0.432 -1.706 1.00 1.34 H new ATOM 0 HD23 LEU A 78 72.579 0.494 -1.735 1.00 1.34 H new ATOM 1189 N VAL A 79 72.455 0.531 3.046 1.00 0.64 N ATOM 1190 CA VAL A 79 72.666 -0.412 4.181 1.00 0.68 C ATOM 1191 C VAL A 79 71.590 -1.502 4.168 1.00 0.78 C ATOM 1192 O VAL A 79 71.813 -2.612 4.610 1.00 0.92 O ATOM 1193 CB VAL A 79 72.544 0.449 5.439 1.00 0.73 C ATOM 1194 CG1 VAL A 79 72.866 -0.398 6.670 1.00 1.15 C ATOM 1195 CG2 VAL A 79 73.529 1.617 5.352 1.00 0.91 C ATOM 0 H VAL A 79 72.347 1.511 3.309 1.00 0.64 H new ATOM 0 HA VAL A 79 73.630 -0.917 4.126 1.00 0.68 H new ATOM 0 HB VAL A 79 71.528 0.834 5.520 1.00 0.73 H new ATOM 0 HG11 VAL A 79 72.779 0.216 7.567 1.00 1.15 H new ATOM 0 HG12 VAL A 79 72.166 -1.231 6.731 1.00 1.15 H new ATOM 0 HG13 VAL A 79 73.883 -0.783 6.591 1.00 1.15 H new ATOM 0 HG21 VAL A 79 73.444 2.232 6.248 1.00 0.91 H new ATOM 0 HG22 VAL A 79 74.545 1.231 5.272 1.00 0.91 H new ATOM 0 HG23 VAL A 79 73.300 2.221 4.474 1.00 0.91 H new ATOM 1205 N MET A 80 70.427 -1.195 3.662 1.00 0.82 N ATOM 1206 CA MET A 80 69.340 -2.216 3.620 1.00 0.93 C ATOM 1207 C MET A 80 69.679 -3.298 2.592 1.00 0.92 C ATOM 1208 O MET A 80 69.438 -4.470 2.804 1.00 0.99 O ATOM 1209 CB MET A 80 68.090 -1.446 3.193 1.00 1.04 C ATOM 1210 CG MET A 80 67.059 -1.479 4.322 1.00 1.05 C ATOM 1211 SD MET A 80 65.625 -2.455 3.805 1.00 1.64 S ATOM 1212 CE MET A 80 64.975 -1.278 2.593 1.00 1.27 C ATOM 0 H MET A 80 70.182 -0.283 3.276 1.00 0.82 H new ATOM 0 HA MET A 80 69.202 -2.716 4.579 1.00 0.93 H new ATOM 0 HB2 MET A 80 68.349 -0.415 2.953 1.00 1.04 H new ATOM 0 HB3 MET A 80 67.669 -1.887 2.289 1.00 1.04 H new ATOM 0 HG2 MET A 80 67.501 -1.911 5.220 1.00 1.05 H new ATOM 0 HG3 MET A 80 66.749 -0.465 4.575 1.00 1.05 H new ATOM 0 HE1 MET A 80 63.893 -1.389 2.522 1.00 1.27 H new ATOM 0 HE2 MET A 80 65.216 -0.262 2.907 1.00 1.27 H new ATOM 0 HE3 MET A 80 65.424 -1.473 1.619 1.00 1.27 H new ATOM 1222 N MET A 81 70.236 -2.911 1.477 1.00 0.86 N ATOM 1223 CA MET A 81 70.594 -3.911 0.430 1.00 0.88 C ATOM 1224 C MET A 81 71.720 -4.821 0.930 1.00 0.90 C ATOM 1225 O MET A 81 71.562 -6.022 1.032 1.00 1.04 O ATOM 1226 CB MET A 81 71.067 -3.076 -0.760 1.00 0.86 C ATOM 1227 CG MET A 81 69.888 -2.283 -1.325 1.00 0.97 C ATOM 1228 SD MET A 81 68.567 -3.424 -1.803 1.00 1.31 S ATOM 1229 CE MET A 81 68.378 -2.852 -3.509 1.00 0.93 C ATOM 0 H MET A 81 70.459 -1.943 1.245 1.00 0.86 H new ATOM 0 HA MET A 81 69.757 -4.559 0.170 1.00 0.88 H new ATOM 0 HB2 MET A 81 71.861 -2.397 -0.449 1.00 0.86 H new ATOM 0 HB3 MET A 81 71.486 -3.724 -1.530 1.00 0.86 H new ATOM 0 HG2 MET A 81 69.521 -1.576 -0.581 1.00 0.97 H new ATOM 0 HG3 MET A 81 70.209 -1.699 -2.188 1.00 0.97 H new ATOM 0 HE1 MET A 81 67.450 -3.245 -3.924 1.00 0.93 H new ATOM 0 HE2 MET A 81 68.351 -1.762 -3.527 1.00 0.93 H new ATOM 0 HE3 MET A 81 69.220 -3.204 -4.106 1.00 0.93 H new ATOM 1239 N VAL A 82 72.854 -4.258 1.243 1.00 0.81 N ATOM 1240 CA VAL A 82 73.991 -5.088 1.738 1.00 0.87 C ATOM 1241 C VAL A 82 73.532 -5.988 2.890 1.00 0.93 C ATOM 1242 O VAL A 82 74.044 -7.072 3.085 1.00 1.06 O ATOM 1243 CB VAL A 82 75.038 -4.079 2.221 1.00 0.86 C ATOM 1244 CG1 VAL A 82 74.355 -2.958 3.004 1.00 1.12 C ATOM 1245 CG2 VAL A 82 76.049 -4.786 3.128 1.00 1.38 C ATOM 0 H VAL A 82 73.044 -3.258 1.178 1.00 0.81 H new ATOM 0 HA VAL A 82 74.388 -5.747 0.966 1.00 0.87 H new ATOM 0 HB VAL A 82 75.552 -3.656 1.358 1.00 0.86 H new ATOM 0 HG11 VAL A 82 75.104 -2.244 3.345 1.00 1.12 H new ATOM 0 HG12 VAL A 82 73.636 -2.451 2.361 1.00 1.12 H new ATOM 0 HG13 VAL A 82 73.837 -3.379 3.865 1.00 1.12 H new ATOM 0 HG21 VAL A 82 76.794 -4.068 3.472 1.00 1.38 H new ATOM 0 HG22 VAL A 82 75.531 -5.211 3.988 1.00 1.38 H new ATOM 0 HG23 VAL A 82 76.543 -5.583 2.571 1.00 1.38 H new ATOM 1255 N ARG A 83 72.571 -5.547 3.657 1.00 0.92 N ATOM 1256 CA ARG A 83 72.086 -6.379 4.796 1.00 1.06 C ATOM 1257 C ARG A 83 71.656 -7.764 4.299 1.00 1.17 C ATOM 1258 O ARG A 83 72.329 -8.751 4.526 1.00 1.35 O ATOM 1259 CB ARG A 83 70.886 -5.617 5.357 1.00 1.12 C ATOM 1260 CG ARG A 83 71.302 -4.876 6.629 1.00 1.21 C ATOM 1261 CD ARG A 83 70.060 -4.563 7.468 1.00 1.42 C ATOM 1262 NE ARG A 83 70.188 -5.422 8.678 1.00 1.54 N ATOM 1263 CZ ARG A 83 70.587 -4.902 9.807 1.00 1.90 C ATOM 1264 NH1 ARG A 83 71.277 -3.796 9.807 1.00 2.73 N ATOM 1265 NH2 ARG A 83 70.293 -5.490 10.934 1.00 1.93 N ATOM 0 H ARG A 83 72.102 -4.648 3.544 1.00 0.92 H new ATOM 0 HA ARG A 83 72.859 -6.539 5.548 1.00 1.06 H new ATOM 0 HB2 ARG A 83 70.513 -4.909 4.617 1.00 1.12 H new ATOM 0 HB3 ARG A 83 70.072 -6.309 5.576 1.00 1.12 H new ATOM 0 HG2 ARG A 83 71.999 -5.484 7.205 1.00 1.21 H new ATOM 0 HG3 ARG A 83 71.822 -3.953 6.371 1.00 1.21 H new ATOM 0 HD2 ARG A 83 70.020 -3.507 7.736 1.00 1.42 H new ATOM 0 HD3 ARG A 83 69.146 -4.788 6.919 1.00 1.42 H new ATOM 0 HE ARG A 83 69.964 -6.416 8.625 1.00 1.54 H new ATOM 0 HH11 ARG A 83 71.505 -3.337 8.925 1.00 2.73 H new ATOM 0 HH12 ARG A 83 71.589 -3.389 10.689 1.00 2.73 H new ATOM 0 HH21 ARG A 83 69.752 -6.355 10.932 1.00 1.93 H new ATOM 0 HH22 ARG A 83 70.604 -5.085 11.817 1.00 1.93 H new ATOM 1279 N CYS A 84 70.541 -7.844 3.627 1.00 1.21 N ATOM 1280 CA CYS A 84 70.067 -9.166 3.121 1.00 1.46 C ATOM 1281 C CYS A 84 71.172 -9.856 2.315 1.00 1.52 C ATOM 1282 O CYS A 84 71.444 -11.026 2.495 1.00 1.97 O ATOM 1283 CB CYS A 84 68.874 -8.840 2.223 1.00 1.72 C ATOM 1284 SG CYS A 84 67.358 -8.827 3.211 1.00 2.58 S ATOM 0 H CYS A 84 69.937 -7.053 3.406 1.00 1.21 H new ATOM 0 HA CYS A 84 69.797 -9.844 3.931 1.00 1.46 H new ATOM 0 HB2 CYS A 84 69.018 -7.870 1.747 1.00 1.72 H new ATOM 0 HB3 CYS A 84 68.794 -9.578 1.425 1.00 1.72 H new ATOM 0 HG CYS A 84 66.344 -8.547 2.447 1.00 2.58 H new ATOM 1290 N MET A 85 71.807 -9.141 1.427 1.00 1.31 N ATOM 1291 CA MET A 85 72.890 -9.759 0.609 1.00 1.51 C ATOM 1292 C MET A 85 73.779 -10.644 1.487 1.00 1.66 C ATOM 1293 O MET A 85 73.559 -11.833 1.613 1.00 2.46 O ATOM 1294 CB MET A 85 73.691 -8.580 0.053 1.00 1.47 C ATOM 1295 CG MET A 85 72.900 -7.906 -1.069 1.00 1.57 C ATOM 1296 SD MET A 85 74.041 -7.033 -2.171 1.00 1.89 S ATOM 1297 CE MET A 85 73.309 -5.386 -2.002 1.00 1.57 C ATOM 0 H MET A 85 71.623 -8.157 1.232 1.00 1.31 H new ATOM 0 HA MET A 85 72.495 -10.394 -0.184 1.00 1.51 H new ATOM 0 HB2 MET A 85 73.899 -7.862 0.847 1.00 1.47 H new ATOM 0 HB3 MET A 85 74.653 -8.927 -0.324 1.00 1.47 H new ATOM 0 HG2 MET A 85 72.335 -8.651 -1.629 1.00 1.57 H new ATOM 0 HG3 MET A 85 72.176 -7.207 -0.649 1.00 1.57 H new ATOM 0 HE1 MET A 85 73.479 -4.817 -2.916 1.00 1.57 H new ATOM 0 HE2 MET A 85 72.237 -5.480 -1.827 1.00 1.57 H new ATOM 0 HE3 MET A 85 73.770 -4.868 -1.161 1.00 1.57 H new ATOM 1307 N LYS A 86 74.784 -10.074 2.095 1.00 1.46 N ATOM 1308 CA LYS A 86 75.689 -10.883 2.963 1.00 1.86 C ATOM 1309 C LYS A 86 74.905 -11.497 4.126 1.00 2.10 C ATOM 1310 O LYS A 86 74.012 -10.885 4.677 1.00 2.77 O ATOM 1311 CB LYS A 86 76.729 -9.891 3.481 1.00 2.69 C ATOM 1312 CG LYS A 86 77.975 -9.950 2.597 1.00 3.47 C ATOM 1313 CD LYS A 86 79.045 -9.012 3.158 1.00 4.38 C ATOM 1314 CE LYS A 86 80.391 -9.324 2.501 1.00 5.10 C ATOM 1315 NZ LYS A 86 80.982 -7.994 2.189 1.00 5.92 N ATOM 0 H LYS A 86 75.018 -9.083 2.029 1.00 1.46 H new ATOM 0 HA LYS A 86 76.147 -11.711 2.422 1.00 1.86 H new ATOM 0 HB2 LYS A 86 76.317 -8.882 3.480 1.00 2.69 H new ATOM 0 HB3 LYS A 86 76.990 -10.127 4.512 1.00 2.69 H new ATOM 0 HG2 LYS A 86 78.356 -10.970 2.556 1.00 3.47 H new ATOM 0 HG3 LYS A 86 77.723 -9.662 1.576 1.00 3.47 H new ATOM 0 HD2 LYS A 86 78.769 -7.974 2.971 1.00 4.38 H new ATOM 0 HD3 LYS A 86 79.119 -9.132 4.239 1.00 4.38 H new ATOM 0 HE2 LYS A 86 81.034 -9.895 3.170 1.00 5.10 H new ATOM 0 HE3 LYS A 86 80.261 -9.920 1.598 1.00 5.10 H new ATOM 0 HZ1 LYS A 86 81.909 -8.124 1.735 1.00 5.92 H new ATOM 0 HZ2 LYS A 86 80.351 -7.476 1.545 1.00 5.92 H new ATOM 0 HZ3 LYS A 86 81.100 -7.452 3.068 1.00 5.92 H new ATOM 1329 N ASP A 87 75.232 -12.703 4.503 1.00 2.49 N ATOM 1330 CA ASP A 87 74.507 -13.356 5.631 1.00 3.49 C ATOM 1331 C ASP A 87 75.471 -13.633 6.789 1.00 4.14 C ATOM 1332 O ASP A 87 76.577 -14.093 6.591 1.00 4.30 O ATOM 1333 CB ASP A 87 73.973 -14.667 5.053 1.00 4.13 C ATOM 1334 CG ASP A 87 75.091 -15.388 4.299 1.00 5.17 C ATOM 1335 OD1 ASP A 87 76.094 -15.698 4.922 1.00 5.51 O ATOM 1336 OD2 ASP A 87 74.927 -15.619 3.114 1.00 5.90 O ATOM 0 H ASP A 87 75.970 -13.265 4.079 1.00 2.49 H new ATOM 0 HA ASP A 87 73.707 -12.729 6.026 1.00 3.49 H new ATOM 0 HB2 ASP A 87 73.593 -15.301 5.854 1.00 4.13 H new ATOM 0 HB3 ASP A 87 73.138 -14.467 4.382 1.00 4.13 H new ATOM 1341 N ASP A 88 75.060 -13.355 7.996 1.00 4.97 N ATOM 1342 CA ASP A 88 75.954 -13.601 9.164 1.00 5.97 C ATOM 1343 C ASP A 88 75.193 -14.347 10.263 1.00 6.80 C ATOM 1344 O ASP A 88 75.628 -15.373 10.746 1.00 7.43 O ATOM 1345 CB ASP A 88 76.367 -12.210 9.648 1.00 6.65 C ATOM 1346 CG ASP A 88 77.072 -12.326 11.000 1.00 6.90 C ATOM 1347 OD1 ASP A 88 76.387 -12.300 12.009 1.00 7.19 O ATOM 1348 OD2 ASP A 88 78.287 -12.440 11.005 1.00 7.08 O ATOM 0 H ASP A 88 74.144 -12.968 8.224 1.00 4.97 H new ATOM 0 HA ASP A 88 76.817 -14.214 8.902 1.00 5.97 H new ATOM 0 HB2 ASP A 88 77.030 -11.742 8.920 1.00 6.65 H new ATOM 0 HB3 ASP A 88 75.489 -11.570 9.738 1.00 6.65 H new ATOM 1353 N SER A 89 74.060 -13.839 10.661 1.00 7.04 N ATOM 1354 CA SER A 89 73.272 -14.520 11.729 1.00 8.10 C ATOM 1355 C SER A 89 74.161 -14.812 12.940 1.00 8.42 C ATOM 1356 O SER A 89 75.250 -14.266 12.997 1.00 8.45 O ATOM 1357 CB SER A 89 72.789 -15.822 11.092 1.00 8.54 C ATOM 1358 OG SER A 89 71.848 -16.446 11.956 1.00 8.99 O ATOM 1359 OXT SER A 89 73.735 -15.576 13.792 1.00 8.86 O ATOM 0 H SER A 89 73.645 -12.983 10.294 1.00 7.04 H new ATOM 0 HA SER A 89 72.444 -13.908 12.086 1.00 8.10 H new ATOM 0 HB2 SER A 89 72.332 -15.619 10.123 1.00 8.54 H new ATOM 0 HB3 SER A 89 73.633 -16.488 10.913 1.00 8.54 H new ATOM 0 HG SER A 89 72.156 -16.373 12.883 1.00 8.99 H new TER 1365 SER A 89 HETATM 1366 CA CA A 90 66.476 7.095 7.772 1.00 0.00 CA