USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 728 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 27 GLN : amide:sc= -1.61! K(o=-11!,f=-8.6) USER MOD Set 1.2: A 32 TYR OH : rot -17:sc= 1.01 USER MOD Set 1.3: A 103 ASN : amide:sc= -10! C(o=-11!,f=-12!) USER MOD Set 2.1: A 36 GLN : amide:sc= -20.1! C(o=-25!,f=-25!) USER MOD Set 2.2: A 48 ASN : amide:sc= -5.23! C(o=-25!,f=-41!) USER MOD Set 3.1: A 37 CYS SG : rot -126:sc= -8.96! USER MOD Set 3.2: A 47 CYS SG : rot -86:sc= -11! USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -2.09! USER MOD Single : A 8 THR OG1 : rot -137:sc= -5.63! USER MOD Single : A 10 SER OG : rot -160:sc= -0.0539 USER MOD Single : A 11 SER OG : rot 45:sc= 0.795 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 80:sc= 1.25 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -160:sc= -0.275 USER MOD Single : A 42 THR OG1 : rot 50:sc= 0.401 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0618 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.312 K(o=-0.31,f=-3.2!) USER MOD Single : A 62 SER OG : rot 21:sc= 0.88 USER MOD Single : A 64 SER OG : rot -9:sc= 0.481! USER MOD Single : A 65 THR OG1 : rot 54:sc= -0.604 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 170:sc= -0.111 USER MOD Single : A 72 SER OG : rot -116:sc= -2.06! USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.095 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0892 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.0191 X(o=-0.019,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.685 14.210 -5.932 1.00 0.00 N ATOM 2 CA ALA A 1 2.133 14.190 -5.978 1.00 0.00 C ATOM 3 C ALA A 1 2.669 13.249 -4.909 1.00 0.00 C ATOM 4 O ALA A 1 2.302 13.360 -3.741 1.00 0.00 O ATOM 5 CB ALA A 1 2.667 15.604 -5.771 1.00 0.00 C ATOM 0 H1 ALA A 1 0.323 14.854 -6.664 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.319 13.252 -6.103 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.372 14.539 -4.996 1.00 0.00 H new ATOM 0 HA ALA A 1 2.465 13.829 -6.951 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.756 15.590 -5.805 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.287 16.255 -6.558 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.339 15.978 -4.801 1.00 0.00 H new ATOM 11 N ALA A 2 3.540 12.320 -5.311 1.00 0.00 N ATOM 12 CA ALA A 2 4.120 11.365 -4.388 1.00 0.00 C ATOM 13 C ALA A 2 5.416 11.922 -3.818 1.00 0.00 C ATOM 14 O ALA A 2 6.330 12.261 -4.566 1.00 0.00 O ATOM 15 CB ALA A 2 4.370 10.046 -5.113 1.00 0.00 C ATOM 0 H ALA A 2 3.855 12.216 -6.276 1.00 0.00 H new ATOM 0 HA ALA A 2 3.431 11.185 -3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.806 9.327 -4.420 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.426 9.656 -5.494 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.056 10.212 -5.943 1.00 0.00 H new ATOM 21 N PRO A 3 5.494 12.015 -2.488 1.00 0.00 N ATOM 22 CA PRO A 3 6.646 12.518 -1.772 1.00 0.00 C ATOM 23 C PRO A 3 7.774 11.497 -1.837 1.00 0.00 C ATOM 24 O PRO A 3 7.651 10.476 -2.510 1.00 0.00 O ATOM 25 CB PRO A 3 6.162 12.707 -0.336 1.00 0.00 C ATOM 26 CG PRO A 3 5.087 11.631 -0.197 1.00 0.00 C ATOM 27 CD PRO A 3 4.438 11.625 -1.579 1.00 0.00 C ATOM 0 HA PRO A 3 7.033 13.447 -2.190 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.968 12.569 0.384 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.758 13.706 -0.174 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.515 10.661 0.053 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.369 11.874 0.586 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.047 10.638 -1.828 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.600 12.321 -1.625 1.00 0.00 H new ATOM 35 N THR A 4 8.876 11.775 -1.137 1.00 0.00 N ATOM 36 CA THR A 4 10.015 10.880 -1.123 1.00 0.00 C ATOM 37 C THR A 4 9.959 9.989 0.110 1.00 0.00 C ATOM 38 O THR A 4 10.184 10.452 1.226 1.00 0.00 O ATOM 39 CB THR A 4 11.303 11.697 -1.141 1.00 0.00 C ATOM 40 OG1 THR A 4 11.634 12.023 -2.472 1.00 0.00 O ATOM 41 CG2 THR A 4 12.433 10.879 -0.521 1.00 0.00 C ATOM 0 H THR A 4 8.995 12.617 -0.574 1.00 0.00 H new ATOM 0 HA THR A 4 9.991 10.243 -2.007 1.00 0.00 H new ATOM 0 HB THR A 4 11.161 12.613 -0.567 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.461 12.549 -2.484 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.354 11.462 -0.534 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.177 10.627 0.508 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.576 9.963 -1.094 1.00 0.00 H new ATOM 49 N ALA A 5 9.657 8.704 -0.094 1.00 0.00 N ATOM 50 CA ALA A 5 9.572 7.756 0.998 1.00 0.00 C ATOM 51 C ALA A 5 10.488 6.572 0.724 1.00 0.00 C ATOM 52 O ALA A 5 10.672 6.179 -0.426 1.00 0.00 O ATOM 53 CB ALA A 5 8.126 7.295 1.158 1.00 0.00 C ATOM 0 H ALA A 5 9.468 8.304 -1.013 1.00 0.00 H new ATOM 0 HA ALA A 5 9.893 8.232 1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.060 6.581 1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.492 8.155 1.373 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.792 6.819 0.236 1.00 0.00 H new ATOM 59 N THR A 6 11.064 6.002 1.785 1.00 0.00 N ATOM 60 CA THR A 6 11.955 4.868 1.650 1.00 0.00 C ATOM 61 C THR A 6 11.234 3.590 2.054 1.00 0.00 C ATOM 62 O THR A 6 10.937 3.386 3.229 1.00 0.00 O ATOM 63 CB THR A 6 13.192 5.087 2.517 1.00 0.00 C ATOM 64 OG1 THR A 6 12.845 5.865 3.641 1.00 0.00 O ATOM 65 CG2 THR A 6 14.260 5.815 1.705 1.00 0.00 C ATOM 0 H THR A 6 10.923 6.315 2.746 1.00 0.00 H new ATOM 0 HA THR A 6 12.267 4.771 0.610 1.00 0.00 H new ATOM 0 HB THR A 6 13.580 4.123 2.847 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.638 6.005 4.199 1.00 0.00 H new ATOM 0 HG21 THR A 6 15.144 5.972 2.324 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.528 5.215 0.835 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.872 6.779 1.375 1.00 0.00 H new ATOM 73 N VAL A 7 10.953 2.727 1.074 1.00 0.00 N ATOM 74 CA VAL A 7 10.270 1.475 1.330 1.00 0.00 C ATOM 75 C VAL A 7 11.259 0.322 1.245 1.00 0.00 C ATOM 76 O VAL A 7 12.196 0.363 0.450 1.00 0.00 O ATOM 77 CB VAL A 7 9.142 1.297 0.318 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.258 0.127 0.742 1.00 0.00 C ATOM 79 CG2 VAL A 7 8.304 2.571 0.259 1.00 0.00 C ATOM 0 H VAL A 7 11.193 2.882 0.095 1.00 0.00 H new ATOM 0 HA VAL A 7 9.842 1.487 2.333 1.00 0.00 H new ATOM 0 HB VAL A 7 9.566 1.095 -0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.452 -0.001 0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.855 -0.784 0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.835 0.329 1.726 1.00 0.00 H new ATOM 0 HG21 VAL A 7 7.498 2.443 -0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.880 2.774 1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.934 3.407 -0.044 1.00 0.00 H new ATOM 89 N THR A 8 11.050 -0.709 2.067 1.00 0.00 N ATOM 90 CA THR A 8 11.924 -1.864 2.076 1.00 0.00 C ATOM 91 C THR A 8 11.756 -2.652 0.784 1.00 0.00 C ATOM 92 O THR A 8 10.904 -2.326 -0.039 1.00 0.00 O ATOM 93 CB THR A 8 11.601 -2.736 3.286 1.00 0.00 C ATOM 94 OG1 THR A 8 12.799 -3.233 3.840 1.00 0.00 O ATOM 95 CG2 THR A 8 10.719 -3.903 2.852 1.00 0.00 C ATOM 0 H THR A 8 10.279 -0.759 2.733 1.00 0.00 H new ATOM 0 HA THR A 8 12.962 -1.537 2.145 1.00 0.00 H new ATOM 0 HB THR A 8 11.074 -2.141 4.032 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.685 -4.179 4.070 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.488 -4.526 3.716 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.793 -3.520 2.424 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.245 -4.499 2.106 1.00 0.00 H new ATOM 103 N PRO A 9 12.573 -3.693 0.609 1.00 0.00 N ATOM 104 CA PRO A 9 12.558 -4.556 -0.553 1.00 0.00 C ATOM 105 C PRO A 9 11.322 -5.443 -0.514 1.00 0.00 C ATOM 106 O PRO A 9 11.169 -6.259 0.392 1.00 0.00 O ATOM 107 CB PRO A 9 13.833 -5.389 -0.439 1.00 0.00 C ATOM 108 CG PRO A 9 14.044 -5.479 1.072 1.00 0.00 C ATOM 109 CD PRO A 9 13.587 -4.105 1.556 1.00 0.00 C ATOM 0 HA PRO A 9 12.524 -4.003 -1.492 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.714 -6.374 -0.890 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.676 -4.909 -0.937 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.455 -6.281 1.516 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.087 -5.671 1.325 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.185 -4.157 2.568 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.417 -3.398 1.579 1.00 0.00 H new ATOM 117 N SER A 10 10.437 -5.279 -1.500 1.00 0.00 N ATOM 118 CA SER A 10 9.220 -6.064 -1.572 1.00 0.00 C ATOM 119 C SER A 10 9.267 -6.979 -2.787 1.00 0.00 C ATOM 120 O SER A 10 8.299 -7.064 -3.540 1.00 0.00 O ATOM 121 CB SER A 10 8.017 -5.129 -1.644 1.00 0.00 C ATOM 122 OG SER A 10 8.173 -4.245 -2.732 1.00 0.00 O ATOM 0 H SER A 10 10.548 -4.605 -2.258 1.00 0.00 H new ATOM 0 HA SER A 10 9.129 -6.684 -0.680 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.100 -5.707 -1.760 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.924 -4.566 -0.715 1.00 0.00 H new ATOM 0 HG SER A 10 7.596 -3.463 -2.604 1.00 0.00 H new ATOM 128 N SER A 11 10.396 -7.665 -2.977 1.00 0.00 N ATOM 129 CA SER A 11 10.561 -8.570 -4.097 1.00 0.00 C ATOM 130 C SER A 11 10.986 -9.942 -3.594 1.00 0.00 C ATOM 131 O SER A 11 12.137 -10.134 -3.206 1.00 0.00 O ATOM 132 CB SER A 11 11.598 -8.001 -5.061 1.00 0.00 C ATOM 133 OG SER A 11 12.806 -7.775 -4.370 1.00 0.00 O ATOM 0 H SER A 11 11.208 -7.605 -2.362 1.00 0.00 H new ATOM 0 HA SER A 11 9.614 -8.677 -4.626 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.762 -8.694 -5.886 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.235 -7.069 -5.495 1.00 0.00 H new ATOM 0 HG SER A 11 13.008 -8.548 -3.803 1.00 0.00 H new ATOM 139 N GLY A 12 10.055 -10.899 -3.602 1.00 0.00 N ATOM 140 CA GLY A 12 10.343 -12.244 -3.148 1.00 0.00 C ATOM 141 C GLY A 12 9.997 -12.389 -1.673 1.00 0.00 C ATOM 142 O GLY A 12 10.579 -13.215 -0.974 1.00 0.00 O ATOM 0 H GLY A 12 9.096 -10.758 -3.920 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.772 -12.963 -3.735 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.398 -12.470 -3.305 1.00 0.00 H new ATOM 146 N LEU A 13 9.045 -11.580 -1.200 1.00 0.00 N ATOM 147 CA LEU A 13 8.627 -11.621 0.187 1.00 0.00 C ATOM 148 C LEU A 13 7.361 -12.455 0.320 1.00 0.00 C ATOM 149 O LEU A 13 6.412 -12.275 -0.440 1.00 0.00 O ATOM 150 CB LEU A 13 8.392 -10.198 0.688 1.00 0.00 C ATOM 151 CG LEU A 13 9.468 -9.276 0.123 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.770 -8.170 1.130 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.737 -10.080 -0.146 1.00 0.00 C ATOM 0 H LEU A 13 8.553 -10.889 -1.767 1.00 0.00 H new ATOM 0 HA LEU A 13 9.407 -12.082 0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.404 -9.852 0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.415 -10.176 1.778 1.00 0.00 H new ATOM 0 HG LEU A 13 9.115 -8.833 -0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.539 -7.511 0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.864 -7.596 1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.123 -8.612 2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.506 -9.422 -0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.091 -10.523 0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.522 -10.870 -0.865 1.00 0.00 H new ATOM 165 N SER A 14 7.348 -13.371 1.291 1.00 0.00 N ATOM 166 CA SER A 14 6.200 -14.226 1.519 1.00 0.00 C ATOM 167 C SER A 14 5.434 -13.747 2.744 1.00 0.00 C ATOM 168 O SER A 14 5.917 -12.895 3.487 1.00 0.00 O ATOM 169 CB SER A 14 6.668 -15.666 1.703 1.00 0.00 C ATOM 170 OG SER A 14 5.588 -16.544 1.475 1.00 0.00 O ATOM 0 H SER A 14 8.127 -13.534 1.930 1.00 0.00 H new ATOM 0 HA SER A 14 5.533 -14.182 0.658 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.482 -15.886 1.012 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.059 -15.807 2.711 1.00 0.00 H new ATOM 0 HG SER A 14 5.889 -17.469 1.592 1.00 0.00 H new ATOM 176 N ASP A 15 4.236 -14.297 2.954 1.00 0.00 N ATOM 177 CA ASP A 15 3.411 -13.924 4.086 1.00 0.00 C ATOM 178 C ASP A 15 4.257 -13.892 5.351 1.00 0.00 C ATOM 179 O ASP A 15 5.130 -14.737 5.537 1.00 0.00 O ATOM 180 CB ASP A 15 2.263 -14.920 4.227 1.00 0.00 C ATOM 181 CG ASP A 15 2.778 -16.352 4.192 1.00 0.00 C ATOM 182 OD1 ASP A 15 3.990 -16.526 4.443 1.00 0.00 O ATOM 183 OD2 ASP A 15 1.950 -17.246 3.914 1.00 0.00 O ATOM 0 H ASP A 15 3.822 -15.004 2.347 1.00 0.00 H new ATOM 0 HA ASP A 15 2.994 -12.930 3.927 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.735 -14.742 5.164 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.544 -14.768 3.422 1.00 0.00 H new ATOM 188 N GLY A 16 3.996 -12.915 6.222 1.00 0.00 N ATOM 189 CA GLY A 16 4.736 -12.783 7.461 1.00 0.00 C ATOM 190 C GLY A 16 5.753 -11.656 7.351 1.00 0.00 C ATOM 191 O GLY A 16 6.179 -11.099 8.360 1.00 0.00 O ATOM 0 H GLY A 16 3.275 -12.207 6.084 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.049 -12.583 8.283 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.244 -13.720 7.691 1.00 0.00 H new ATOM 195 N THR A 17 6.144 -11.320 6.119 1.00 0.00 N ATOM 196 CA THR A 17 7.107 -10.263 5.887 1.00 0.00 C ATOM 197 C THR A 17 6.422 -8.907 5.981 1.00 0.00 C ATOM 198 O THR A 17 5.226 -8.793 5.719 1.00 0.00 O ATOM 199 CB THR A 17 7.747 -10.451 4.514 1.00 0.00 C ATOM 200 OG1 THR A 17 8.219 -11.774 4.393 1.00 0.00 O ATOM 201 CG2 THR A 17 8.913 -9.479 4.359 1.00 0.00 C ATOM 0 H THR A 17 5.802 -11.771 5.271 1.00 0.00 H new ATOM 0 HA THR A 17 7.887 -10.306 6.647 1.00 0.00 H new ATOM 0 HB THR A 17 7.006 -10.257 3.738 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.472 -12.369 4.175 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.370 -9.613 3.379 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.549 -8.456 4.453 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.654 -9.673 5.135 1.00 0.00 H new ATOM 209 N VAL A 18 7.184 -7.878 6.357 1.00 0.00 N ATOM 210 CA VAL A 18 6.650 -6.537 6.484 1.00 0.00 C ATOM 211 C VAL A 18 7.466 -5.575 5.633 1.00 0.00 C ATOM 212 O VAL A 18 8.685 -5.502 5.771 1.00 0.00 O ATOM 213 CB VAL A 18 6.675 -6.117 7.951 1.00 0.00 C ATOM 214 CG1 VAL A 18 7.361 -4.760 8.080 1.00 0.00 C ATOM 215 CG2 VAL A 18 5.246 -6.016 8.475 1.00 0.00 C ATOM 0 H VAL A 18 8.177 -7.957 6.578 1.00 0.00 H new ATOM 0 HA VAL A 18 5.619 -6.517 6.132 1.00 0.00 H new ATOM 0 HB VAL A 18 7.224 -6.858 8.532 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.379 -4.460 9.128 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.382 -4.831 7.705 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.812 -4.018 7.499 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.263 -5.716 9.523 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.697 -5.275 7.894 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.755 -6.985 8.383 1.00 0.00 H new ATOM 225 N VAL A 19 6.790 -4.834 4.751 1.00 0.00 N ATOM 226 CA VAL A 19 7.453 -3.882 3.884 1.00 0.00 C ATOM 227 C VAL A 19 7.531 -2.526 4.571 1.00 0.00 C ATOM 228 O VAL A 19 6.504 -1.926 4.882 1.00 0.00 O ATOM 229 CB VAL A 19 6.691 -3.778 2.566 1.00 0.00 C ATOM 230 CG1 VAL A 19 6.977 -5.011 1.714 1.00 0.00 C ATOM 231 CG2 VAL A 19 5.194 -3.692 2.851 1.00 0.00 C ATOM 0 H VAL A 19 5.779 -4.883 4.625 1.00 0.00 H new ATOM 0 HA VAL A 19 8.468 -4.220 3.675 1.00 0.00 H new ATOM 0 HB VAL A 19 7.011 -2.885 2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.433 -4.937 0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.046 -5.073 1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.657 -5.905 2.249 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.648 -3.618 1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.874 -4.586 3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.990 -2.811 3.460 1.00 0.00 H new ATOM 241 N LYS A 20 8.753 -2.044 4.809 1.00 0.00 N ATOM 242 CA LYS A 20 8.955 -0.764 5.457 1.00 0.00 C ATOM 243 C LYS A 20 8.519 0.361 4.530 1.00 0.00 C ATOM 244 O LYS A 20 8.626 0.241 3.311 1.00 0.00 O ATOM 245 CB LYS A 20 10.425 -0.613 5.836 1.00 0.00 C ATOM 246 CG LYS A 20 10.538 0.193 7.127 1.00 0.00 C ATOM 247 CD LYS A 20 10.536 1.683 6.799 1.00 0.00 C ATOM 248 CE LYS A 20 11.971 2.202 6.780 1.00 0.00 C ATOM 249 NZ LYS A 20 12.308 2.868 8.048 1.00 0.00 N ATOM 0 H LYS A 20 9.615 -2.529 4.558 1.00 0.00 H new ATOM 0 HA LYS A 20 8.352 -0.713 6.364 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.880 -1.595 5.967 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.969 -0.113 5.034 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.707 -0.045 7.791 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.454 -0.073 7.655 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.064 1.853 5.831 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.951 2.228 7.539 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.659 1.374 6.606 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.098 2.901 5.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.289 3.212 8.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.665 3.671 8.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.209 2.192 8.832 1.00 0.00 H new ATOM 263 N VAL A 21 8.025 1.458 5.110 1.00 0.00 N ATOM 264 CA VAL A 21 7.576 2.597 4.336 1.00 0.00 C ATOM 265 C VAL A 21 7.846 3.882 5.106 1.00 0.00 C ATOM 266 O VAL A 21 7.144 4.191 6.067 1.00 0.00 O ATOM 267 CB VAL A 21 6.088 2.450 4.033 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.902 2.053 2.572 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.490 1.372 4.933 1.00 0.00 C ATOM 0 H VAL A 21 7.929 1.573 6.119 1.00 0.00 H new ATOM 0 HA VAL A 21 8.122 2.640 3.394 1.00 0.00 H new ATOM 0 HB VAL A 21 5.585 3.399 4.218 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.839 1.948 2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.329 2.822 1.929 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.405 1.104 2.386 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.427 1.266 4.717 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.994 0.423 4.748 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.622 1.656 5.977 1.00 0.00 H new ATOM 279 N ALA A 22 8.867 4.630 4.682 1.00 0.00 N ATOM 280 CA ALA A 22 9.224 5.875 5.333 1.00 0.00 C ATOM 281 C ALA A 22 9.079 7.030 4.352 1.00 0.00 C ATOM 282 O ALA A 22 9.773 7.076 3.339 1.00 0.00 O ATOM 283 CB ALA A 22 10.655 5.783 5.853 1.00 0.00 C ATOM 0 H ALA A 22 9.458 4.387 3.887 1.00 0.00 H new ATOM 0 HA ALA A 22 8.556 6.055 6.175 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.925 6.719 6.343 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.730 4.964 6.568 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.334 5.601 5.020 1.00 0.00 H new ATOM 289 N GLY A 23 8.174 7.963 4.654 1.00 0.00 N ATOM 290 CA GLY A 23 7.947 9.109 3.795 1.00 0.00 C ATOM 291 C GLY A 23 8.954 10.208 4.105 1.00 0.00 C ATOM 292 O GLY A 23 9.289 10.437 5.265 1.00 0.00 O ATOM 0 H GLY A 23 7.590 7.940 5.490 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.033 8.812 2.750 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.933 9.484 3.937 1.00 0.00 H new ATOM 296 N ALA A 24 9.436 10.888 3.062 1.00 0.00 N ATOM 297 CA ALA A 24 10.401 11.956 3.226 1.00 0.00 C ATOM 298 C ALA A 24 10.032 13.127 2.327 1.00 0.00 C ATOM 299 O ALA A 24 10.168 13.044 1.109 1.00 0.00 O ATOM 300 CB ALA A 24 11.796 11.436 2.891 1.00 0.00 C ATOM 0 H ALA A 24 9.167 10.710 2.094 1.00 0.00 H new ATOM 0 HA ALA A 24 10.395 12.301 4.260 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.523 12.239 3.014 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.048 10.613 3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.815 11.084 1.860 1.00 0.00 H new ATOM 306 N GLY A 25 9.562 14.221 2.930 1.00 0.00 N ATOM 307 CA GLY A 25 9.177 15.399 2.178 1.00 0.00 C ATOM 308 C GLY A 25 7.662 15.463 2.038 1.00 0.00 C ATOM 309 O GLY A 25 7.148 16.088 1.113 1.00 0.00 O ATOM 0 H GLY A 25 9.442 14.308 3.939 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.541 16.295 2.681 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.640 15.377 1.191 1.00 0.00 H new ATOM 313 N LEU A 26 6.948 14.813 2.960 1.00 0.00 N ATOM 314 CA LEU A 26 5.499 14.799 2.936 1.00 0.00 C ATOM 315 C LEU A 26 4.957 15.981 3.725 1.00 0.00 C ATOM 316 O LEU A 26 5.717 16.855 4.138 1.00 0.00 O ATOM 317 CB LEU A 26 4.994 13.482 3.520 1.00 0.00 C ATOM 318 CG LEU A 26 5.992 12.371 3.207 1.00 0.00 C ATOM 319 CD1 LEU A 26 5.244 11.057 3.003 1.00 0.00 C ATOM 320 CD2 LEU A 26 6.762 12.721 1.936 1.00 0.00 C ATOM 0 H LEU A 26 7.360 14.290 3.732 1.00 0.00 H new ATOM 0 HA LEU A 26 5.149 14.884 1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.864 13.576 4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.018 13.237 3.102 1.00 0.00 H new ATOM 0 HG LEU A 26 6.690 12.266 4.037 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.957 10.263 2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.695 10.806 3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.545 11.161 2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.475 11.927 1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.064 12.827 1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.297 13.659 2.082 1.00 0.00 H new ATOM 332 N GLN A 27 3.639 16.008 3.935 1.00 0.00 N ATOM 333 CA GLN A 27 3.004 17.081 4.672 1.00 0.00 C ATOM 334 C GLN A 27 3.253 16.902 6.163 1.00 0.00 C ATOM 335 O GLN A 27 2.936 15.857 6.726 1.00 0.00 O ATOM 336 CB GLN A 27 1.508 17.088 4.371 1.00 0.00 C ATOM 337 CG GLN A 27 1.268 17.706 2.997 1.00 0.00 C ATOM 338 CD GLN A 27 -0.180 17.523 2.564 1.00 0.00 C ATOM 339 OE1 GLN A 27 -0.916 18.497 2.425 1.00 0.00 O ATOM 340 NE2 GLN A 27 -0.587 16.269 2.354 1.00 0.00 N ATOM 0 H GLN A 27 2.996 15.291 3.600 1.00 0.00 H new ATOM 0 HA GLN A 27 3.428 18.037 4.366 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.116 16.071 4.398 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.975 17.655 5.135 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.512 18.768 3.024 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.932 17.245 2.265 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.063 15.494 2.483 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.548 16.086 2.065 1.00 0.00 H new ATOM 349 N ALA A 28 3.821 17.927 6.802 1.00 0.00 N ATOM 350 CA ALA A 28 4.110 17.878 8.222 1.00 0.00 C ATOM 351 C ALA A 28 2.815 17.983 9.015 1.00 0.00 C ATOM 352 O ALA A 28 2.003 18.872 8.766 1.00 0.00 O ATOM 353 CB ALA A 28 5.060 19.015 8.586 1.00 0.00 C ATOM 0 H ALA A 28 4.088 18.801 6.349 1.00 0.00 H new ATOM 0 HA ALA A 28 4.588 16.930 8.468 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.278 18.979 9.653 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.987 18.909 8.022 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.595 19.970 8.343 1.00 0.00 H new ATOM 359 N GLY A 29 2.622 17.072 9.972 1.00 0.00 N ATOM 360 CA GLY A 29 1.427 17.071 10.791 1.00 0.00 C ATOM 361 C GLY A 29 0.245 16.530 9.999 1.00 0.00 C ATOM 362 O GLY A 29 -0.893 16.586 10.461 1.00 0.00 O ATOM 0 H GLY A 29 3.284 16.328 10.192 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.588 16.461 11.680 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.212 18.083 11.133 1.00 0.00 H new ATOM 366 N THR A 30 0.516 16.005 8.802 1.00 0.00 N ATOM 367 CA THR A 30 -0.526 15.458 7.957 1.00 0.00 C ATOM 368 C THR A 30 -0.631 13.955 8.169 1.00 0.00 C ATOM 369 O THR A 30 0.383 13.263 8.240 1.00 0.00 O ATOM 370 CB THR A 30 -0.216 15.778 6.498 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.059 16.819 6.055 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.451 14.536 5.643 1.00 0.00 C ATOM 0 H THR A 30 1.453 15.951 8.403 1.00 0.00 H new ATOM 0 HA THR A 30 -1.484 15.907 8.219 1.00 0.00 H new ATOM 0 HB THR A 30 0.825 16.090 6.408 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.097 16.815 5.076 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.230 14.765 4.601 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.200 13.731 5.984 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.492 14.224 5.733 1.00 0.00 H new ATOM 380 N ALA A 31 -1.863 13.450 8.270 1.00 0.00 N ATOM 381 CA ALA A 31 -2.094 12.034 8.473 1.00 0.00 C ATOM 382 C ALA A 31 -2.110 11.316 7.131 1.00 0.00 C ATOM 383 O ALA A 31 -2.464 11.907 6.113 1.00 0.00 O ATOM 384 CB ALA A 31 -3.417 11.837 9.208 1.00 0.00 C ATOM 0 H ALA A 31 -2.713 14.010 8.213 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.291 11.613 9.077 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.593 10.772 9.362 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.375 12.341 10.174 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.229 12.257 8.614 1.00 0.00 H new ATOM 390 N TYR A 32 -1.725 10.038 7.131 1.00 0.00 N ATOM 391 CA TYR A 32 -1.695 9.251 5.915 1.00 0.00 C ATOM 392 C TYR A 32 -2.240 7.856 6.190 1.00 0.00 C ATOM 393 O TYR A 32 -2.021 7.303 7.265 1.00 0.00 O ATOM 394 CB TYR A 32 -0.264 9.178 5.392 1.00 0.00 C ATOM 395 CG TYR A 32 0.213 10.464 4.760 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.395 10.937 3.590 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.262 11.184 5.343 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.047 12.129 3.004 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.704 12.376 4.757 1.00 0.00 C ATOM 400 CZ TYR A 32 1.097 12.849 3.587 1.00 0.00 C ATOM 401 OH TYR A 32 1.528 14.010 3.016 1.00 0.00 O ATOM 0 H TYR A 32 -1.430 9.533 7.967 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.321 9.722 5.157 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.402 8.918 6.215 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.194 8.374 4.659 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.205 10.382 3.140 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.731 10.820 6.245 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.422 12.493 2.102 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.514 12.931 5.207 1.00 0.00 H new ATOM 0 HH TYR A 32 1.206 14.059 2.092 1.00 0.00 H new ATOM 411 N ASP A 33 -2.952 7.288 5.214 1.00 0.00 N ATOM 412 CA ASP A 33 -3.524 5.964 5.356 1.00 0.00 C ATOM 413 C ASP A 33 -2.708 4.962 4.552 1.00 0.00 C ATOM 414 O ASP A 33 -2.634 5.059 3.329 1.00 0.00 O ATOM 415 CB ASP A 33 -4.974 5.985 4.882 1.00 0.00 C ATOM 416 CG ASP A 33 -5.921 6.262 6.042 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.430 6.244 7.191 1.00 0.00 O ATOM 418 OD2 ASP A 33 -7.117 6.486 5.757 1.00 0.00 O ATOM 0 H ASP A 33 -3.142 7.734 4.316 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.502 5.663 6.403 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.099 6.749 4.115 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.225 5.029 4.423 1.00 0.00 H new ATOM 423 N VAL A 34 -2.094 3.998 5.242 1.00 0.00 N ATOM 424 CA VAL A 34 -1.288 2.986 4.591 1.00 0.00 C ATOM 425 C VAL A 34 -2.056 1.673 4.537 1.00 0.00 C ATOM 426 O VAL A 34 -2.769 1.329 5.477 1.00 0.00 O ATOM 427 CB VAL A 34 0.023 2.814 5.352 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.154 2.546 4.363 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.325 4.086 6.138 1.00 0.00 C ATOM 0 H VAL A 34 -2.146 3.905 6.256 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.062 3.295 3.570 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.064 1.973 6.041 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.091 2.423 4.906 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.938 1.637 3.801 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.242 3.386 3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.262 3.964 6.682 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.412 4.927 5.450 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.483 4.278 6.845 1.00 0.00 H new ATOM 439 N GLY A 35 -1.911 0.938 3.431 1.00 0.00 N ATOM 440 CA GLY A 35 -2.593 -0.330 3.265 1.00 0.00 C ATOM 441 C GLY A 35 -2.052 -1.064 2.046 1.00 0.00 C ATOM 442 O GLY A 35 -1.285 -0.500 1.268 1.00 0.00 O ATOM 0 H GLY A 35 -1.325 1.207 2.641 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.459 -0.943 4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.664 -0.163 3.152 1.00 0.00 H new ATOM 446 N GLN A 36 -2.453 -2.326 1.881 1.00 0.00 N ATOM 447 CA GLN A 36 -2.007 -3.130 0.761 1.00 0.00 C ATOM 448 C GLN A 36 -3.187 -3.457 -0.143 1.00 0.00 C ATOM 449 O GLN A 36 -4.120 -4.140 0.274 1.00 0.00 O ATOM 450 CB GLN A 36 -1.354 -4.407 1.282 1.00 0.00 C ATOM 451 CG GLN A 36 -1.547 -5.529 0.265 1.00 0.00 C ATOM 452 CD GLN A 36 -1.078 -6.861 0.832 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.838 -7.552 1.507 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.177 -7.221 0.555 1.00 0.00 N ATOM 0 H GLN A 36 -3.089 -2.808 2.517 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.273 -2.573 0.178 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.291 -4.239 1.457 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.794 -4.689 2.238 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.599 -5.597 -0.012 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.992 -5.300 -0.645 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.769 -6.612 -0.010 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.544 -8.105 0.908 1.00 0.00 H new ATOM 463 N CYS A 37 -3.144 -2.967 -1.384 1.00 0.00 N ATOM 464 CA CYS A 37 -4.206 -3.209 -2.339 1.00 0.00 C ATOM 465 C CYS A 37 -3.680 -4.053 -3.491 1.00 0.00 C ATOM 466 O CYS A 37 -2.537 -3.889 -3.912 1.00 0.00 O ATOM 467 CB CYS A 37 -4.745 -1.875 -2.849 1.00 0.00 C ATOM 468 SG CYS A 37 -5.356 -0.781 -1.542 1.00 0.00 S ATOM 0 H CYS A 37 -2.377 -2.399 -1.744 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.018 -3.753 -1.856 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.956 -1.362 -3.399 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.553 -2.067 -3.555 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.574 -0.417 -1.815 1.00 0.00 H new ATOM 473 N ALA A 38 -4.518 -4.959 -4.001 1.00 0.00 N ATOM 474 CA ALA A 38 -4.133 -5.824 -5.099 1.00 0.00 C ATOM 475 C ALA A 38 -5.104 -5.648 -6.258 1.00 0.00 C ATOM 476 O ALA A 38 -6.317 -5.680 -6.064 1.00 0.00 O ATOM 477 CB ALA A 38 -4.117 -7.273 -4.621 1.00 0.00 C ATOM 0 H ALA A 38 -5.469 -5.106 -3.664 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.134 -5.558 -5.445 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.828 -7.925 -5.445 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.401 -7.379 -3.806 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.111 -7.551 -4.270 1.00 0.00 H new ATOM 483 N TRP A 39 -4.568 -5.461 -7.466 1.00 0.00 N ATOM 484 CA TRP A 39 -5.391 -5.283 -8.645 1.00 0.00 C ATOM 485 C TRP A 39 -6.163 -6.562 -8.936 1.00 0.00 C ATOM 486 O TRP A 39 -5.569 -7.627 -9.093 1.00 0.00 O ATOM 487 CB TRP A 39 -4.507 -4.904 -9.829 1.00 0.00 C ATOM 488 CG TRP A 39 -4.920 -5.496 -11.139 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.195 -5.707 -11.532 1.00 0.00 C ATOM 490 CD2 TRP A 39 -4.081 -5.961 -12.240 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.203 -6.266 -12.792 1.00 0.00 N ATOM 492 CE2 TRP A 39 -4.923 -6.445 -13.277 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.695 -6.023 -12.468 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.419 -6.963 -14.474 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.179 -6.540 -13.665 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.036 -7.010 -14.667 1.00 0.00 C ATOM 0 H TRP A 39 -3.564 -5.430 -7.645 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.109 -4.481 -8.473 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.498 -3.818 -9.924 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.484 -5.213 -9.614 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.073 -5.474 -10.949 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.050 -6.516 -13.303 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -2.016 -5.666 -11.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.090 -7.322 -15.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.110 -6.576 -13.815 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.630 -7.407 -15.585 1.00 0.00 H new ATOM 507 N VAL A 40 -7.492 -6.455 -9.008 1.00 0.00 N ATOM 508 CA VAL A 40 -8.338 -7.600 -9.279 1.00 0.00 C ATOM 509 C VAL A 40 -8.816 -7.556 -10.723 1.00 0.00 C ATOM 510 O VAL A 40 -8.807 -8.573 -11.413 1.00 0.00 O ATOM 511 CB VAL A 40 -9.522 -7.596 -8.317 1.00 0.00 C ATOM 512 CG1 VAL A 40 -9.038 -7.940 -6.911 1.00 0.00 C ATOM 513 CG2 VAL A 40 -10.165 -6.211 -8.308 1.00 0.00 C ATOM 0 H VAL A 40 -7.999 -5.579 -8.880 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.771 -8.519 -9.132 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.254 -8.336 -8.640 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.884 -7.937 -6.224 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.578 -8.928 -6.916 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.305 -7.201 -6.587 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.011 -6.207 -7.621 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.432 -5.472 -7.985 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.511 -5.964 -9.312 1.00 0.00 H new ATOM 523 N ASP A 41 -9.233 -6.374 -11.180 1.00 0.00 N ATOM 524 CA ASP A 41 -9.712 -6.204 -12.538 1.00 0.00 C ATOM 525 C ASP A 41 -9.141 -4.924 -13.129 1.00 0.00 C ATOM 526 O ASP A 41 -8.448 -4.176 -12.443 1.00 0.00 O ATOM 527 CB ASP A 41 -11.238 -6.166 -12.537 1.00 0.00 C ATOM 528 CG ASP A 41 -11.810 -7.277 -13.406 1.00 0.00 C ATOM 529 OD1 ASP A 41 -11.920 -7.040 -14.629 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.127 -8.341 -12.832 1.00 0.00 O ATOM 0 H ASP A 41 -9.246 -5.521 -10.621 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.383 -7.042 -13.152 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.608 -6.270 -11.517 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.582 -5.199 -12.903 1.00 0.00 H new ATOM 535 N THR A 42 -9.432 -4.672 -14.408 1.00 0.00 N ATOM 536 CA THR A 42 -8.945 -3.484 -15.079 1.00 0.00 C ATOM 537 C THR A 42 -9.458 -2.240 -14.369 1.00 0.00 C ATOM 538 O THR A 42 -10.654 -1.958 -14.391 1.00 0.00 O ATOM 539 CB THR A 42 -9.400 -3.501 -16.536 1.00 0.00 C ATOM 540 OG1 THR A 42 -10.791 -3.726 -16.591 1.00 0.00 O ATOM 541 CG2 THR A 42 -8.675 -4.618 -17.282 1.00 0.00 C ATOM 0 H THR A 42 -10.004 -5.281 -14.993 1.00 0.00 H new ATOM 0 HA THR A 42 -7.855 -3.469 -15.051 1.00 0.00 H new ATOM 0 HB THR A 42 -9.168 -2.543 -17.001 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.246 -3.113 -15.977 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.999 -4.631 -18.323 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.600 -4.446 -17.239 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.908 -5.576 -16.818 1.00 0.00 H new ATOM 549 N GLY A 43 -8.549 -1.493 -13.738 1.00 0.00 N ATOM 550 CA GLY A 43 -8.918 -0.285 -13.027 1.00 0.00 C ATOM 551 C GLY A 43 -9.687 -0.632 -11.760 1.00 0.00 C ATOM 552 O GLY A 43 -10.223 0.251 -11.094 1.00 0.00 O ATOM 0 H GLY A 43 -7.553 -1.711 -13.710 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.023 0.284 -12.773 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.528 0.351 -13.668 1.00 0.00 H new ATOM 556 N VAL A 44 -9.741 -1.925 -11.429 1.00 0.00 N ATOM 557 CA VAL A 44 -10.442 -2.383 -10.247 1.00 0.00 C ATOM 558 C VAL A 44 -9.487 -3.154 -9.348 1.00 0.00 C ATOM 559 O VAL A 44 -9.096 -4.274 -9.669 1.00 0.00 O ATOM 560 CB VAL A 44 -11.620 -3.259 -10.663 1.00 0.00 C ATOM 561 CG1 VAL A 44 -12.380 -3.714 -9.420 1.00 0.00 C ATOM 562 CG2 VAL A 44 -12.554 -2.460 -11.566 1.00 0.00 C ATOM 0 H VAL A 44 -9.303 -2.669 -11.972 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.822 -1.527 -9.690 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.251 -4.131 -11.203 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.222 -4.340 -9.717 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.713 -4.285 -8.774 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.749 -2.842 -8.880 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.396 -3.085 -11.863 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.923 -1.587 -11.027 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.012 -2.135 -12.454 1.00 0.00 H new ATOM 572 N LEU A 45 -9.110 -2.552 -8.217 1.00 0.00 N ATOM 573 CA LEU A 45 -8.204 -3.184 -7.278 1.00 0.00 C ATOM 574 C LEU A 45 -8.874 -3.308 -5.917 1.00 0.00 C ATOM 575 O LEU A 45 -9.566 -2.392 -5.478 1.00 0.00 O ATOM 576 CB LEU A 45 -6.923 -2.361 -7.177 1.00 0.00 C ATOM 577 CG LEU A 45 -7.058 -1.348 -6.044 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.670 -0.913 -5.582 1.00 0.00 C ATOM 579 CD2 LEU A 45 -7.834 -0.131 -6.539 1.00 0.00 C ATOM 0 H LEU A 45 -9.425 -1.623 -7.936 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.951 -4.185 -7.628 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.071 -3.016 -6.994 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.733 -1.846 -8.119 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.592 -1.805 -5.210 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.766 -0.189 -4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.115 -1.782 -5.228 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.136 -0.457 -6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.931 0.593 -5.730 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.301 0.326 -7.373 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.826 -0.441 -6.869 1.00 0.00 H new ATOM 591 N ALA A 46 -8.668 -4.445 -5.250 1.00 0.00 N ATOM 592 CA ALA A 46 -9.252 -4.684 -3.946 1.00 0.00 C ATOM 593 C ALA A 46 -8.266 -4.282 -2.858 1.00 0.00 C ATOM 594 O ALA A 46 -7.063 -4.219 -3.101 1.00 0.00 O ATOM 595 CB ALA A 46 -9.626 -6.158 -3.819 1.00 0.00 C ATOM 0 H ALA A 46 -8.097 -5.214 -5.601 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.154 -4.083 -3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.065 -6.339 -2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.348 -6.418 -4.593 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.732 -6.771 -3.935 1.00 0.00 H new ATOM 601 N CYS A 47 -8.779 -4.008 -1.657 1.00 0.00 N ATOM 602 CA CYS A 47 -7.944 -3.614 -0.540 1.00 0.00 C ATOM 603 C CYS A 47 -8.078 -4.629 0.586 1.00 0.00 C ATOM 604 O CYS A 47 -9.111 -5.281 0.717 1.00 0.00 O ATOM 605 CB CYS A 47 -8.354 -2.223 -0.065 1.00 0.00 C ATOM 606 SG CYS A 47 -7.738 -0.878 -1.109 1.00 0.00 S ATOM 0 H CYS A 47 -9.775 -4.054 -1.441 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.901 -3.583 -0.854 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.442 -2.170 -0.026 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.991 -2.076 0.952 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.542 -0.544 -0.725 1.00 0.00 H new ATOM 611 N ASN A 48 -7.028 -4.762 1.401 1.00 0.00 N ATOM 612 CA ASN A 48 -7.036 -5.696 2.509 1.00 0.00 C ATOM 613 C ASN A 48 -7.063 -4.936 3.827 1.00 0.00 C ATOM 614 O ASN A 48 -6.064 -4.340 4.224 1.00 0.00 O ATOM 615 CB ASN A 48 -5.803 -6.591 2.426 1.00 0.00 C ATOM 616 CG ASN A 48 -5.715 -7.508 3.638 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.633 -7.551 4.453 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.607 -8.243 3.753 1.00 0.00 N ATOM 0 H ASN A 48 -6.163 -4.229 1.306 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.928 -6.321 2.456 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.843 -7.188 1.515 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.905 -5.976 2.365 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.495 -8.876 4.545 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.872 -8.172 3.049 1.00 0.00 H new ATOM 625 N PRO A 49 -8.212 -4.959 4.506 1.00 0.00 N ATOM 626 CA PRO A 49 -8.423 -4.297 5.776 1.00 0.00 C ATOM 627 C PRO A 49 -7.678 -5.046 6.872 1.00 0.00 C ATOM 628 O PRO A 49 -7.723 -4.654 8.036 1.00 0.00 O ATOM 629 CB PRO A 49 -9.932 -4.354 6.002 1.00 0.00 C ATOM 630 CG PRO A 49 -10.333 -5.641 5.282 1.00 0.00 C ATOM 631 CD PRO A 49 -9.406 -5.649 4.069 1.00 0.00 C ATOM 0 HA PRO A 49 -8.056 -3.271 5.786 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -10.181 -4.389 7.063 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.437 -3.483 5.585 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.185 -6.519 5.910 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.383 -5.631 4.989 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.180 -6.667 3.752 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.864 -5.145 3.218 1.00 0.00 H new ATOM 639 N ALA A 50 -6.993 -6.129 6.497 1.00 0.00 N ATOM 640 CA ALA A 50 -6.247 -6.929 7.448 1.00 0.00 C ATOM 641 C ALA A 50 -4.825 -6.398 7.563 1.00 0.00 C ATOM 642 O ALA A 50 -4.082 -6.796 8.457 1.00 0.00 O ATOM 643 CB ALA A 50 -6.245 -8.386 6.995 1.00 0.00 C ATOM 0 H ALA A 50 -6.945 -6.466 5.536 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.718 -6.868 8.429 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.684 -8.988 7.710 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.271 -8.751 6.939 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.779 -8.461 6.013 1.00 0.00 H new ATOM 649 N ASP A 51 -4.447 -5.496 6.654 1.00 0.00 N ATOM 650 CA ASP A 51 -3.118 -4.918 6.657 1.00 0.00 C ATOM 651 C ASP A 51 -3.215 -3.404 6.546 1.00 0.00 C ATOM 652 O ASP A 51 -2.298 -2.756 6.046 1.00 0.00 O ATOM 653 CB ASP A 51 -2.310 -5.495 5.498 1.00 0.00 C ATOM 654 CG ASP A 51 -3.067 -5.355 4.185 1.00 0.00 C ATOM 655 OD1 ASP A 51 -3.749 -4.319 4.031 1.00 0.00 O ATOM 656 OD2 ASP A 51 -2.950 -6.287 3.360 1.00 0.00 O ATOM 0 H ASP A 51 -5.052 -5.155 5.907 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.613 -5.163 7.591 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.351 -4.981 5.426 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.094 -6.546 5.688 1.00 0.00 H new ATOM 661 N PHE A 52 -4.331 -2.839 7.013 1.00 0.00 N ATOM 662 CA PHE A 52 -4.539 -1.405 6.962 1.00 0.00 C ATOM 663 C PHE A 52 -3.874 -0.744 8.162 1.00 0.00 C ATOM 664 O PHE A 52 -4.371 -0.843 9.282 1.00 0.00 O ATOM 665 CB PHE A 52 -6.036 -1.110 6.943 1.00 0.00 C ATOM 666 CG PHE A 52 -6.519 -0.533 5.634 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.646 0.213 4.833 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.841 -0.740 5.222 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.094 0.751 3.621 1.00 0.00 C ATOM 670 CE2 PHE A 52 -8.289 -0.202 4.010 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.416 0.543 3.209 1.00 0.00 C ATOM 0 H PHE A 52 -5.101 -3.361 7.430 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.090 -1.000 6.055 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.582 -2.030 7.149 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.271 -0.413 7.747 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.626 0.373 5.151 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.515 -1.315 5.840 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.420 1.326 3.004 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.309 -0.362 3.693 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.762 0.957 2.274 1.00 0.00 H new ATOM 681 N SER A 53 -2.748 -0.068 7.924 1.00 0.00 N ATOM 682 CA SER A 53 -2.024 0.605 8.984 1.00 0.00 C ATOM 683 C SER A 53 -2.266 2.106 8.903 1.00 0.00 C ATOM 684 O SER A 53 -2.885 2.586 7.956 1.00 0.00 O ATOM 685 CB SER A 53 -0.536 0.290 8.862 1.00 0.00 C ATOM 686 OG SER A 53 0.132 0.721 10.026 1.00 0.00 O ATOM 0 H SER A 53 -2.324 0.023 7.001 1.00 0.00 H new ATOM 0 HA SER A 53 -2.379 0.252 9.952 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.390 -0.781 8.722 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.119 0.786 7.986 1.00 0.00 H new ATOM 0 HG SER A 53 1.088 0.517 9.949 1.00 0.00 H new ATOM 692 N SER A 54 -1.776 2.846 9.899 1.00 0.00 N ATOM 693 CA SER A 54 -1.940 4.285 9.934 1.00 0.00 C ATOM 694 C SER A 54 -0.710 4.930 10.558 1.00 0.00 C ATOM 695 O SER A 54 0.017 4.286 11.310 1.00 0.00 O ATOM 696 CB SER A 54 -3.195 4.634 10.727 1.00 0.00 C ATOM 697 OG SER A 54 -2.881 4.693 12.101 1.00 0.00 O ATOM 0 H SER A 54 -1.261 2.462 10.692 1.00 0.00 H new ATOM 0 HA SER A 54 -2.050 4.667 8.919 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.595 5.591 10.393 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.969 3.887 10.551 1.00 0.00 H new ATOM 0 HG SER A 54 -3.687 4.919 12.611 1.00 0.00 H new ATOM 703 N VAL A 55 -0.480 6.207 10.243 1.00 0.00 N ATOM 704 CA VAL A 55 0.656 6.933 10.773 1.00 0.00 C ATOM 705 C VAL A 55 0.477 8.423 10.524 1.00 0.00 C ATOM 706 O VAL A 55 -0.268 8.820 9.630 1.00 0.00 O ATOM 707 CB VAL A 55 1.936 6.424 10.115 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.791 6.496 8.598 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.113 7.290 10.555 1.00 0.00 C ATOM 0 H VAL A 55 -1.074 6.754 9.620 1.00 0.00 H new ATOM 0 HA VAL A 55 0.727 6.771 11.849 1.00 0.00 H new ATOM 0 HB VAL A 55 2.113 5.391 10.415 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.705 6.133 8.128 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.950 5.878 8.283 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.614 7.529 8.298 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.027 6.927 10.086 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.937 8.323 10.255 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.217 7.239 11.639 1.00 0.00 H new ATOM 719 N THR A 56 1.163 9.251 11.316 1.00 0.00 N ATOM 720 CA THR A 56 1.074 10.690 11.173 1.00 0.00 C ATOM 721 C THR A 56 2.470 11.287 11.057 1.00 0.00 C ATOM 722 O THR A 56 3.328 11.035 11.900 1.00 0.00 O ATOM 723 CB THR A 56 0.334 11.274 12.372 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.849 10.541 12.597 1.00 0.00 O ATOM 725 CG2 THR A 56 -0.018 12.733 12.092 1.00 0.00 C ATOM 0 H THR A 56 1.785 8.940 12.062 1.00 0.00 H new ATOM 0 HA THR A 56 0.521 10.935 10.266 1.00 0.00 H new ATOM 0 HB THR A 56 0.971 11.216 13.255 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.324 10.915 13.368 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.547 13.151 12.949 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.896 13.301 11.918 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.655 12.791 11.209 1.00 0.00 H new ATOM 733 N ALA A 57 2.694 12.081 10.008 1.00 0.00 N ATOM 734 CA ALA A 57 3.981 12.709 9.786 1.00 0.00 C ATOM 735 C ALA A 57 4.323 13.615 10.961 1.00 0.00 C ATOM 736 O ALA A 57 3.429 14.120 11.637 1.00 0.00 O ATOM 737 CB ALA A 57 3.941 13.504 8.484 1.00 0.00 C ATOM 0 H ALA A 57 1.992 12.300 9.301 1.00 0.00 H new ATOM 0 HA ALA A 57 4.754 11.944 9.706 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.909 13.977 8.316 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.716 12.833 7.655 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.169 14.271 8.550 1.00 0.00 H new ATOM 743 N ASP A 58 5.619 13.819 11.203 1.00 0.00 N ATOM 744 CA ASP A 58 6.070 14.659 12.294 1.00 0.00 C ATOM 745 C ASP A 58 6.303 16.076 11.789 1.00 0.00 C ATOM 746 O ASP A 58 5.962 16.396 10.652 1.00 0.00 O ATOM 747 CB ASP A 58 7.351 14.079 12.886 1.00 0.00 C ATOM 748 CG ASP A 58 8.442 13.978 11.830 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.323 14.704 10.820 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.375 13.176 12.052 1.00 0.00 O ATOM 0 H ASP A 58 6.372 13.408 10.651 1.00 0.00 H new ATOM 0 HA ASP A 58 5.308 14.691 13.073 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.693 14.707 13.708 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.149 13.092 13.302 1.00 0.00 H new ATOM 755 N ALA A 59 6.885 16.926 12.638 1.00 0.00 N ATOM 756 CA ALA A 59 7.159 18.302 12.275 1.00 0.00 C ATOM 757 C ALA A 59 8.115 18.343 11.091 1.00 0.00 C ATOM 758 O ALA A 59 8.131 19.313 10.337 1.00 0.00 O ATOM 759 CB ALA A 59 7.752 19.035 13.475 1.00 0.00 C ATOM 0 H ALA A 59 7.174 16.676 13.584 1.00 0.00 H new ATOM 0 HA ALA A 59 6.232 18.797 11.985 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.959 20.070 13.203 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.043 19.012 14.302 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.679 18.547 13.778 1.00 0.00 H new ATOM 765 N ASN A 60 8.914 17.285 10.930 1.00 0.00 N ATOM 766 CA ASN A 60 9.866 17.208 9.840 1.00 0.00 C ATOM 767 C ASN A 60 9.171 16.714 8.579 1.00 0.00 C ATOM 768 O ASN A 60 9.819 16.485 7.560 1.00 0.00 O ATOM 769 CB ASN A 60 11.007 16.273 10.230 1.00 0.00 C ATOM 770 CG ASN A 60 12.337 16.790 9.701 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.405 17.890 9.157 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.396 15.993 9.863 1.00 0.00 N ATOM 0 H ASN A 60 8.914 16.473 11.547 1.00 0.00 H new ATOM 0 HA ASN A 60 10.275 18.198 9.639 1.00 0.00 H new ATOM 0 HB2 ASN A 60 11.053 16.182 11.315 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.817 15.275 9.834 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.313 16.289 9.528 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.288 15.088 10.321 1.00 0.00 H new ATOM 779 N GLY A 61 7.848 16.550 8.649 1.00 0.00 N ATOM 780 CA GLY A 61 7.078 16.085 7.512 1.00 0.00 C ATOM 781 C GLY A 61 7.482 14.663 7.147 1.00 0.00 C ATOM 782 O GLY A 61 7.073 14.145 6.111 1.00 0.00 O ATOM 0 H GLY A 61 7.295 16.735 9.486 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.014 16.119 7.746 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.239 16.746 6.660 1.00 0.00 H new ATOM 786 N SER A 62 8.289 14.033 8.003 1.00 0.00 N ATOM 787 CA SER A 62 8.743 12.677 7.767 1.00 0.00 C ATOM 788 C SER A 62 7.930 11.706 8.612 1.00 0.00 C ATOM 789 O SER A 62 7.710 11.944 9.797 1.00 0.00 O ATOM 790 CB SER A 62 10.228 12.573 8.103 1.00 0.00 C ATOM 791 OG SER A 62 10.769 11.426 7.486 1.00 0.00 O ATOM 0 H SER A 62 8.638 14.449 8.866 1.00 0.00 H new ATOM 0 HA SER A 62 8.602 12.420 6.717 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.753 13.465 7.761 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.365 12.517 9.183 1.00 0.00 H new ATOM 0 HG SER A 62 10.197 11.157 6.737 1.00 0.00 H new ATOM 797 N ALA A 63 7.485 10.607 7.997 1.00 0.00 N ATOM 798 CA ALA A 63 6.700 9.607 8.693 1.00 0.00 C ATOM 799 C ALA A 63 7.415 8.264 8.642 1.00 0.00 C ATOM 800 O ALA A 63 8.320 8.071 7.834 1.00 0.00 O ATOM 801 CB ALA A 63 5.319 9.509 8.052 1.00 0.00 C ATOM 0 H ALA A 63 7.660 10.395 7.015 1.00 0.00 H new ATOM 0 HA ALA A 63 6.581 9.894 9.738 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.728 8.757 8.575 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.818 10.475 8.118 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.423 9.225 7.005 1.00 0.00 H new ATOM 807 N SER A 64 7.005 7.335 9.509 1.00 0.00 N ATOM 808 CA SER A 64 7.607 6.018 9.557 1.00 0.00 C ATOM 809 C SER A 64 6.564 4.987 9.964 1.00 0.00 C ATOM 810 O SER A 64 5.849 5.179 10.946 1.00 0.00 O ATOM 811 CB SER A 64 8.772 6.027 10.544 1.00 0.00 C ATOM 812 OG SER A 64 8.281 5.831 11.851 1.00 0.00 O ATOM 0 H SER A 64 6.256 7.480 10.186 1.00 0.00 H new ATOM 0 HA SER A 64 7.986 5.752 8.570 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.484 5.242 10.290 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.307 6.975 10.483 1.00 0.00 H new ATOM 0 HG SER A 64 7.302 5.883 11.844 1.00 0.00 H new ATOM 818 N THR A 65 6.477 3.891 9.208 1.00 0.00 N ATOM 819 CA THR A 65 5.523 2.840 9.497 1.00 0.00 C ATOM 820 C THR A 65 5.867 1.592 8.696 1.00 0.00 C ATOM 821 O THR A 65 6.636 1.658 7.739 1.00 0.00 O ATOM 822 CB THR A 65 4.115 3.325 9.164 1.00 0.00 C ATOM 823 OG1 THR A 65 3.373 3.466 10.355 1.00 0.00 O ATOM 824 CG2 THR A 65 3.429 2.311 8.253 1.00 0.00 C ATOM 0 H THR A 65 7.061 3.716 8.390 1.00 0.00 H new ATOM 0 HA THR A 65 5.566 2.589 10.557 1.00 0.00 H new ATOM 0 HB THR A 65 4.173 4.288 8.656 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.861 4.044 10.978 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.423 2.657 8.015 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.003 2.202 7.332 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.371 1.348 8.760 1.00 0.00 H new ATOM 832 N SER A 66 5.292 0.453 9.088 1.00 0.00 N ATOM 833 CA SER A 66 5.539 -0.801 8.405 1.00 0.00 C ATOM 834 C SER A 66 4.230 -1.365 7.872 1.00 0.00 C ATOM 835 O SER A 66 3.238 -1.428 8.596 1.00 0.00 O ATOM 836 CB SER A 66 6.199 -1.783 9.368 1.00 0.00 C ATOM 837 OG SER A 66 6.858 -1.068 10.390 1.00 0.00 O ATOM 0 H SER A 66 4.651 0.382 9.879 1.00 0.00 H new ATOM 0 HA SER A 66 6.209 -0.634 7.562 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.449 -2.446 9.799 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.910 -2.412 8.832 1.00 0.00 H new ATOM 0 HG SER A 66 7.281 -1.698 11.010 1.00 0.00 H new ATOM 843 N LEU A 67 4.228 -1.778 6.603 1.00 0.00 N ATOM 844 CA LEU A 67 3.044 -2.336 5.980 1.00 0.00 C ATOM 845 C LEU A 67 3.236 -3.828 5.749 1.00 0.00 C ATOM 846 O LEU A 67 4.178 -4.237 5.075 1.00 0.00 O ATOM 847 CB LEU A 67 2.775 -1.614 4.663 1.00 0.00 C ATOM 848 CG LEU A 67 1.276 -1.625 4.375 1.00 0.00 C ATOM 849 CD1 LEU A 67 0.828 -3.049 4.061 1.00 0.00 C ATOM 850 CD2 LEU A 67 0.520 -1.110 5.596 1.00 0.00 C ATOM 0 H LEU A 67 5.042 -1.733 5.990 1.00 0.00 H new ATOM 0 HA LEU A 67 2.184 -2.199 6.636 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.138 -0.588 4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.316 -2.101 3.852 1.00 0.00 H new ATOM 0 HG LEU A 67 1.066 -0.982 3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.242 -3.057 3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.368 -3.416 3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.038 -3.693 4.915 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.551 -1.118 5.391 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.730 -1.752 6.452 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.839 -0.092 5.819 1.00 0.00 H new ATOM 862 N THR A 68 2.338 -4.641 6.310 1.00 0.00 N ATOM 863 CA THR A 68 2.416 -6.080 6.158 1.00 0.00 C ATOM 864 C THR A 68 1.899 -6.486 4.786 1.00 0.00 C ATOM 865 O THR A 68 0.823 -6.058 4.373 1.00 0.00 O ATOM 866 CB THR A 68 1.604 -6.752 7.262 1.00 0.00 C ATOM 867 OG1 THR A 68 1.559 -8.142 7.033 1.00 0.00 O ATOM 868 CG2 THR A 68 0.185 -6.190 7.263 1.00 0.00 C ATOM 0 H THR A 68 1.551 -4.319 6.873 1.00 0.00 H new ATOM 0 HA THR A 68 3.454 -6.401 6.241 1.00 0.00 H new ATOM 0 HB THR A 68 2.072 -6.558 8.227 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.181 -8.591 7.818 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.396 -6.669 8.051 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.220 -5.115 7.440 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.284 -6.384 6.298 1.00 0.00 H new ATOM 876 N VAL A 69 2.670 -7.316 4.078 1.00 0.00 N ATOM 877 CA VAL A 69 2.288 -7.776 2.759 1.00 0.00 C ATOM 878 C VAL A 69 1.851 -9.233 2.827 1.00 0.00 C ATOM 879 O VAL A 69 2.559 -10.069 3.385 1.00 0.00 O ATOM 880 CB VAL A 69 3.465 -7.609 1.802 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.740 -7.358 2.603 1.00 0.00 C ATOM 882 CG2 VAL A 69 3.628 -8.878 0.970 1.00 0.00 C ATOM 0 H VAL A 69 3.565 -7.679 4.406 1.00 0.00 H new ATOM 0 HA VAL A 69 1.451 -7.183 2.391 1.00 0.00 H new ATOM 0 HB VAL A 69 3.279 -6.763 1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.581 -7.239 1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.624 -6.452 3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.927 -8.204 3.264 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.469 -8.759 0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.814 -9.725 1.631 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.718 -9.058 0.398 1.00 0.00 H new ATOM 892 N ARG A 70 0.682 -9.534 2.258 1.00 0.00 N ATOM 893 CA ARG A 70 0.157 -10.885 2.258 1.00 0.00 C ATOM 894 C ARG A 70 0.172 -11.444 0.843 1.00 0.00 C ATOM 895 O ARG A 70 0.142 -10.687 -0.126 1.00 0.00 O ATOM 896 CB ARG A 70 -1.260 -10.879 2.822 1.00 0.00 C ATOM 897 CG ARG A 70 -1.212 -11.154 4.323 1.00 0.00 C ATOM 898 CD ARG A 70 -0.161 -10.258 4.971 1.00 0.00 C ATOM 899 NE ARG A 70 -0.446 -10.056 6.392 1.00 0.00 N ATOM 900 CZ ARG A 70 -0.132 -10.959 7.330 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.471 -12.105 6.983 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.420 -10.718 8.616 1.00 0.00 N ATOM 0 H ARG A 70 0.085 -8.851 1.791 1.00 0.00 H new ATOM 0 HA ARG A 70 0.781 -11.522 2.885 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.734 -9.916 2.633 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.865 -11.635 2.322 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.189 -10.968 4.769 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.973 -12.202 4.504 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.826 -10.707 4.855 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.135 -9.295 4.461 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.903 -9.191 6.680 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.691 -12.290 6.004 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.710 -12.792 7.698 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.879 -9.846 8.881 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.181 -11.406 9.330 1.00 0.00 H new ATOM 916 N ARG A 71 0.217 -12.773 0.724 1.00 0.00 N ATOM 917 CA ARG A 71 0.236 -13.425 -0.570 1.00 0.00 C ATOM 918 C ARG A 71 -1.183 -13.550 -1.105 1.00 0.00 C ATOM 919 O ARG A 71 -1.381 -13.838 -2.283 1.00 0.00 O ATOM 920 CB ARG A 71 0.886 -14.799 -0.436 1.00 0.00 C ATOM 921 CG ARG A 71 0.746 -15.558 -1.753 1.00 0.00 C ATOM 922 CD ARG A 71 -0.432 -16.523 -1.662 1.00 0.00 C ATOM 923 NE ARG A 71 -0.216 -17.697 -2.508 1.00 0.00 N ATOM 924 CZ ARG A 71 0.794 -18.556 -2.313 1.00 0.00 C ATOM 925 NH1 ARG A 71 1.658 -18.357 -1.308 1.00 0.00 N ATOM 926 NH2 ARG A 71 0.940 -19.613 -3.123 1.00 0.00 N ATOM 0 H ARG A 71 0.241 -13.414 1.517 1.00 0.00 H new ATOM 0 HA ARG A 71 0.817 -12.829 -1.274 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.939 -14.691 -0.176 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.414 -15.359 0.371 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.593 -14.858 -2.574 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.663 -16.106 -1.968 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.570 -16.837 -0.627 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.347 -16.015 -1.966 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.861 -17.869 -3.279 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.547 -17.552 -0.692 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.427 -19.011 -1.159 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.282 -19.764 -3.888 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.709 -20.267 -2.975 1.00 0.00 H new ATOM 940 N SER A 72 -2.172 -13.330 -0.236 1.00 0.00 N ATOM 941 CA SER A 72 -3.565 -13.418 -0.626 1.00 0.00 C ATOM 942 C SER A 72 -4.445 -12.819 0.462 1.00 0.00 C ATOM 943 O SER A 72 -4.118 -12.903 1.644 1.00 0.00 O ATOM 944 CB SER A 72 -3.932 -14.878 -0.876 1.00 0.00 C ATOM 945 OG SER A 72 -3.434 -15.279 -2.132 1.00 0.00 O ATOM 0 H SER A 72 -2.024 -13.089 0.744 1.00 0.00 H new ATOM 0 HA SER A 72 -3.725 -12.855 -1.545 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.516 -15.508 -0.090 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.014 -15.002 -0.845 1.00 0.00 H new ATOM 0 HG SER A 72 -4.182 -15.506 -2.723 1.00 0.00 H new ATOM 951 N PHE A 73 -5.566 -12.215 0.061 1.00 0.00 N ATOM 952 CA PHE A 73 -6.485 -11.608 1.003 1.00 0.00 C ATOM 953 C PHE A 73 -7.696 -11.060 0.263 1.00 0.00 C ATOM 954 O PHE A 73 -7.623 -10.784 -0.933 1.00 0.00 O ATOM 955 CB PHE A 73 -5.769 -10.498 1.768 1.00 0.00 C ATOM 956 CG PHE A 73 -4.938 -9.598 0.885 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.564 -8.645 0.072 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.543 -9.717 0.878 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.794 -7.811 -0.748 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.774 -8.883 0.058 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.399 -7.930 -0.755 1.00 0.00 C ATOM 0 H PHE A 73 -5.852 -12.138 -0.915 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.829 -12.358 1.715 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.509 -9.895 2.295 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.125 -10.946 2.525 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.640 -8.553 0.077 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.060 -10.452 1.505 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.276 -7.076 -1.375 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.698 -8.975 0.053 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.805 -7.287 -1.387 1.00 0.00 H new ATOM 971 N GLU A 74 -8.813 -10.900 0.976 1.00 0.00 N ATOM 972 CA GLU A 74 -10.030 -10.385 0.382 1.00 0.00 C ATOM 973 C GLU A 74 -9.764 -9.026 -0.250 1.00 0.00 C ATOM 974 O GLU A 74 -9.404 -8.076 0.441 1.00 0.00 O ATOM 975 CB GLU A 74 -11.113 -10.280 1.453 1.00 0.00 C ATOM 976 CG GLU A 74 -10.627 -9.374 2.580 1.00 0.00 C ATOM 977 CD GLU A 74 -11.560 -9.452 3.780 1.00 0.00 C ATOM 978 OE1 GLU A 74 -12.788 -9.412 3.548 1.00 0.00 O ATOM 979 OE2 GLU A 74 -11.028 -9.550 4.907 1.00 0.00 O ATOM 0 H GLU A 74 -8.891 -11.123 1.968 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.372 -11.064 -0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.030 -9.880 1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.350 -11.269 1.844 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.620 -9.666 2.878 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.569 -8.345 2.225 1.00 0.00 H new ATOM 986 N GLY A 75 -9.943 -8.935 -1.570 1.00 0.00 N ATOM 987 CA GLY A 75 -9.721 -7.693 -2.284 1.00 0.00 C ATOM 988 C GLY A 75 -10.902 -6.753 -2.086 1.00 0.00 C ATOM 989 O GLY A 75 -11.911 -6.865 -2.779 1.00 0.00 O ATOM 0 H GLY A 75 -10.242 -9.712 -2.159 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.806 -7.219 -1.928 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.582 -7.896 -3.346 1.00 0.00 H new ATOM 993 N PHE A 76 -10.775 -5.823 -1.137 1.00 0.00 N ATOM 994 CA PHE A 76 -11.830 -4.871 -0.854 1.00 0.00 C ATOM 995 C PHE A 76 -11.745 -3.702 -1.825 1.00 0.00 C ATOM 996 O PHE A 76 -10.927 -2.802 -1.646 1.00 0.00 O ATOM 997 CB PHE A 76 -11.705 -4.388 0.588 1.00 0.00 C ATOM 998 CG PHE A 76 -12.813 -4.883 1.487 1.00 0.00 C ATOM 999 CD1 PHE A 76 -14.078 -4.287 1.432 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.574 -5.939 2.375 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -15.105 -4.747 2.265 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.601 -6.399 3.207 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.867 -5.803 3.153 1.00 0.00 C ATOM 0 H PHE A 76 -9.945 -5.716 -0.554 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.801 -5.350 -0.979 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.747 -4.716 0.991 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.699 -3.298 0.599 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -14.262 -3.472 0.747 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.597 -6.398 2.418 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -16.081 -4.287 2.223 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.417 -7.214 3.891 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.659 -6.158 3.796 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.592 -3.717 -2.857 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.609 -2.661 -3.849 1.00 0.00 C ATOM 1015 C LEU A 77 -12.784 -1.312 -3.165 1.00 0.00 C ATOM 1016 O LEU A 77 -13.532 -1.198 -2.196 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.739 -2.914 -4.842 1.00 0.00 C ATOM 1018 CG LEU A 77 -14.284 -1.580 -5.343 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -13.228 -0.887 -6.199 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.537 -1.824 -6.179 1.00 0.00 C ATOM 0 H LEU A 77 -13.275 -4.457 -3.020 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.663 -2.651 -4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.375 -3.508 -5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.534 -3.488 -4.366 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.533 -0.947 -4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.618 0.066 -6.557 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.333 -0.712 -5.602 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.978 -1.519 -7.051 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.927 -0.871 -6.537 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.289 -2.458 -7.030 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.292 -2.318 -5.567 1.00 0.00 H new ATOM 1032 N PHE A 78 -12.092 -0.289 -3.672 1.00 0.00 N ATOM 1033 CA PHE A 78 -12.176 1.043 -3.108 1.00 0.00 C ATOM 1034 C PHE A 78 -13.635 1.417 -2.882 1.00 0.00 C ATOM 1035 O PHE A 78 -13.979 1.980 -1.846 1.00 0.00 O ATOM 1036 CB PHE A 78 -11.503 2.036 -4.050 1.00 0.00 C ATOM 1037 CG PHE A 78 -10.097 2.402 -3.636 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -9.160 1.396 -3.374 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -9.731 3.748 -3.516 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -7.857 1.736 -2.992 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -8.428 4.088 -3.134 1.00 0.00 C ATOM 1042 CZ PHE A 78 -7.491 3.081 -2.872 1.00 0.00 C ATOM 0 H PHE A 78 -11.468 -0.367 -4.475 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.662 1.068 -2.147 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -11.479 1.613 -5.054 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -12.106 2.943 -4.100 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -9.442 0.358 -3.467 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -10.454 4.524 -3.718 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -7.134 0.960 -2.790 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -8.146 5.126 -3.041 1.00 0.00 H new ATOM 0 HZ PHE A 78 -6.485 3.343 -2.577 1.00 0.00 H new ATOM 1052 N ASP A 79 -14.491 1.101 -3.855 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.905 1.405 -3.758 1.00 0.00 C ATOM 1054 C ASP A 79 -16.483 0.770 -2.502 1.00 0.00 C ATOM 1055 O ASP A 79 -17.567 1.143 -2.058 1.00 0.00 O ATOM 1056 CB ASP A 79 -16.622 0.891 -5.003 1.00 0.00 C ATOM 1057 CG ASP A 79 -17.840 1.747 -5.321 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -17.711 2.984 -5.201 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -18.877 1.147 -5.679 1.00 0.00 O ATOM 0 H ASP A 79 -14.220 0.633 -4.720 1.00 0.00 H new ATOM 0 HA ASP A 79 -16.046 2.484 -3.694 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.937 0.897 -5.851 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.930 -0.143 -4.849 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.757 -0.192 -1.927 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.206 -0.870 -0.728 1.00 0.00 C ATOM 1066 C GLY A 80 -16.933 -2.158 -1.089 1.00 0.00 C ATOM 1067 O GLY A 80 -17.805 -2.610 -0.351 1.00 0.00 O ATOM 0 H GLY A 80 -14.855 -0.513 -2.280 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.353 -1.093 -0.087 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.869 -0.217 -0.160 1.00 0.00 H new ATOM 1071 N THR A 81 -16.572 -2.748 -2.231 1.00 0.00 N ATOM 1072 CA THR A 81 -17.192 -3.978 -2.681 1.00 0.00 C ATOM 1073 C THR A 81 -16.214 -5.135 -2.537 1.00 0.00 C ATOM 1074 O THR A 81 -15.067 -5.039 -2.967 1.00 0.00 O ATOM 1075 CB THR A 81 -17.635 -3.822 -4.133 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.840 -3.091 -4.181 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.852 -5.201 -4.749 1.00 0.00 C ATOM 0 H THR A 81 -15.851 -2.386 -2.856 1.00 0.00 H new ATOM 0 HA THR A 81 -18.068 -4.192 -2.068 1.00 0.00 H new ATOM 0 HB THR A 81 -16.865 -3.291 -4.693 1.00 0.00 H new ATOM 0 HG1 THR A 81 -19.124 -2.989 -5.113 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.168 -5.090 -5.786 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.921 -5.767 -4.712 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.622 -5.732 -4.189 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.671 -6.232 -1.928 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.837 -7.400 -1.729 1.00 0.00 C ATOM 1087 C ARG A 82 -15.617 -8.109 -3.058 1.00 0.00 C ATOM 1088 O ARG A 82 -16.421 -8.948 -3.457 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.504 -8.334 -0.723 1.00 0.00 C ATOM 1090 CG ARG A 82 -17.874 -8.753 -1.248 1.00 0.00 C ATOM 1091 CD ARG A 82 -18.875 -8.776 -0.096 1.00 0.00 C ATOM 1092 NE ARG A 82 -20.238 -8.977 -0.588 1.00 0.00 N ATOM 1093 CZ ARG A 82 -21.322 -8.601 0.103 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -21.183 -8.012 1.299 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -22.545 -8.814 -0.401 1.00 0.00 N ATOM 0 H ARG A 82 -17.620 -6.327 -1.566 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.867 -7.096 -1.336 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.881 -9.213 -0.559 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.609 -7.834 0.240 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -18.207 -8.059 -2.020 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -17.812 -9.738 -1.710 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -18.615 -9.573 0.600 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -18.819 -7.839 0.457 1.00 0.00 H new ATOM 0 HE ARG A 82 -20.368 -9.423 -1.496 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -20.252 -7.850 1.683 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -22.008 -7.726 1.825 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -22.651 -9.263 -1.311 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -23.370 -8.528 0.125 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.524 -7.769 -3.745 1.00 0.00 N ATOM 1110 CA TRP A 83 -14.208 -8.378 -5.022 1.00 0.00 C ATOM 1111 C TRP A 83 -14.005 -9.876 -4.846 1.00 0.00 C ATOM 1112 O TRP A 83 -14.654 -10.676 -5.516 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.954 -7.726 -5.598 1.00 0.00 C ATOM 1114 CG TRP A 83 -13.192 -6.837 -6.776 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -13.862 -5.665 -6.747 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -12.774 -7.023 -8.163 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -13.889 -5.116 -8.012 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -13.231 -5.915 -8.926 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -12.056 -8.015 -8.855 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -12.990 -5.796 -10.298 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -11.809 -7.906 -10.231 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -12.274 -6.800 -10.954 1.00 0.00 C ATOM 0 H TRP A 83 -13.847 -7.073 -3.431 1.00 0.00 H new ATOM 0 HA TRP A 83 -15.034 -8.224 -5.716 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.472 -7.143 -4.813 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -12.255 -8.510 -5.888 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -14.308 -5.225 -5.868 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -14.339 -4.230 -8.243 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -11.688 -8.876 -8.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -13.353 -4.938 -10.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -11.255 -8.682 -10.738 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -12.080 -6.724 -12.014 1.00 0.00 H new ATOM 1133 N GLY A 84 -13.099 -10.255 -3.941 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.819 -11.654 -3.686 1.00 0.00 C ATOM 1135 C GLY A 84 -11.375 -11.829 -3.234 1.00 0.00 C ATOM 1136 O GLY A 84 -10.603 -10.873 -3.232 1.00 0.00 O ATOM 0 H GLY A 84 -12.551 -9.606 -3.377 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.496 -12.034 -2.921 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.998 -12.238 -4.588 1.00 0.00 H new ATOM 1140 N THR A 85 -11.013 -13.054 -2.849 1.00 0.00 N ATOM 1141 CA THR A 85 -9.666 -13.344 -2.399 1.00 0.00 C ATOM 1142 C THR A 85 -8.681 -13.128 -3.539 1.00 0.00 C ATOM 1143 O THR A 85 -8.709 -13.849 -4.534 1.00 0.00 O ATOM 1144 CB THR A 85 -9.598 -14.781 -1.892 1.00 0.00 C ATOM 1145 OG1 THR A 85 -10.876 -15.184 -1.451 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.610 -14.865 -0.732 1.00 0.00 C ATOM 0 H THR A 85 -11.641 -13.858 -2.843 1.00 0.00 H new ATOM 0 HA THR A 85 -9.400 -12.671 -1.584 1.00 0.00 H new ATOM 0 HB THR A 85 -9.268 -15.436 -2.698 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.834 -16.108 -1.127 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.561 -15.892 -0.369 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.623 -14.553 -1.072 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.940 -14.211 0.075 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.806 -12.130 -3.391 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.817 -11.823 -4.405 1.00 0.00 C ATOM 1156 C VAL A 86 -5.533 -12.589 -4.120 1.00 0.00 C ATOM 1157 O VAL A 86 -5.241 -12.907 -2.969 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.558 -10.320 -4.424 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -7.688 -9.599 -3.693 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -5.233 -10.024 -3.728 1.00 0.00 C ATOM 0 H VAL A 86 -7.770 -11.523 -2.572 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.188 -12.126 -5.384 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.513 -9.972 -5.456 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.503 -8.525 -3.706 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.635 -9.810 -4.189 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -7.734 -9.946 -2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.047 -8.950 -3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.278 -10.372 -2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.425 -10.538 -4.249 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.765 -12.883 -5.171 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.519 -13.609 -5.028 1.00 0.00 C ATOM 1172 C ASP A 87 -2.355 -12.719 -5.441 1.00 0.00 C ATOM 1173 O ASP A 87 -2.117 -12.518 -6.630 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.565 -14.871 -5.884 1.00 0.00 C ATOM 1175 CG ASP A 87 -3.868 -16.095 -5.032 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -4.524 -15.909 -3.985 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -3.436 -17.194 -5.443 1.00 0.00 O ATOM 0 H ASP A 87 -4.993 -12.624 -6.131 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.379 -13.898 -3.986 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.326 -14.763 -6.657 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.611 -15.005 -6.393 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.629 -12.186 -4.456 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.496 -11.322 -4.720 1.00 0.00 C ATOM 1184 C CYS A 88 0.462 -12.011 -5.681 1.00 0.00 C ATOM 1185 O CYS A 88 1.185 -11.348 -6.421 1.00 0.00 O ATOM 1186 CB CYS A 88 0.203 -10.986 -3.407 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.612 -9.681 -2.453 1.00 0.00 S ATOM 0 H CYS A 88 -1.814 -12.344 -3.465 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.838 -10.395 -5.180 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.260 -11.887 -2.796 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.227 -10.680 -3.620 1.00 0.00 H new ATOM 1192 N THR A 89 0.468 -13.346 -5.669 1.00 0.00 N ATOM 1193 CA THR A 89 1.337 -14.112 -6.539 1.00 0.00 C ATOM 1194 C THR A 89 0.742 -14.180 -7.938 1.00 0.00 C ATOM 1195 O THR A 89 1.354 -14.730 -8.850 1.00 0.00 O ATOM 1196 CB THR A 89 1.526 -15.512 -5.963 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.326 -15.937 -5.357 1.00 0.00 O ATOM 1198 CG2 THR A 89 2.641 -15.488 -4.921 1.00 0.00 C ATOM 0 H THR A 89 -0.124 -13.912 -5.061 1.00 0.00 H new ATOM 0 HA THR A 89 2.310 -13.625 -6.605 1.00 0.00 H new ATOM 0 HB THR A 89 1.793 -16.201 -6.764 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.447 -16.837 -4.988 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.776 -16.488 -4.509 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.569 -15.160 -5.389 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.375 -14.799 -4.119 1.00 0.00 H new ATOM 1206 N THR A 90 -0.457 -13.617 -8.106 1.00 0.00 N ATOM 1207 CA THR A 90 -1.125 -13.618 -9.392 1.00 0.00 C ATOM 1208 C THR A 90 -1.297 -12.189 -9.888 1.00 0.00 C ATOM 1209 O THR A 90 -1.350 -11.949 -11.092 1.00 0.00 O ATOM 1210 CB THR A 90 -2.479 -14.311 -9.260 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.317 -15.698 -9.454 1.00 0.00 O ATOM 1212 CG2 THR A 90 -3.437 -13.758 -10.312 1.00 0.00 C ATOM 0 H THR A 90 -0.979 -13.156 -7.361 1.00 0.00 H new ATOM 0 HA THR A 90 -0.521 -14.162 -10.118 1.00 0.00 H new ATOM 0 HB THR A 90 -2.886 -14.128 -8.266 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.185 -16.144 -9.368 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.404 -14.252 -10.219 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.561 -12.685 -10.163 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.030 -13.941 -11.307 1.00 0.00 H new ATOM 1220 N ALA A 91 -1.383 -11.239 -8.954 1.00 0.00 N ATOM 1221 CA ALA A 91 -1.549 -9.841 -9.299 1.00 0.00 C ATOM 1222 C ALA A 91 -0.450 -9.016 -8.645 1.00 0.00 C ATOM 1223 O ALA A 91 0.421 -9.561 -7.971 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.925 -9.366 -8.844 1.00 0.00 C ATOM 0 H ALA A 91 -1.339 -11.422 -7.952 1.00 0.00 H new ATOM 0 HA ALA A 91 -1.476 -9.717 -10.379 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.051 -8.315 -9.103 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.696 -9.957 -9.339 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.013 -9.487 -7.764 1.00 0.00 H new ATOM 1230 N ALA A 92 -0.492 -7.697 -8.847 1.00 0.00 N ATOM 1231 CA ALA A 92 0.499 -6.804 -8.280 1.00 0.00 C ATOM 1232 C ALA A 92 -0.066 -6.131 -7.037 1.00 0.00 C ATOM 1233 O ALA A 92 -1.104 -5.478 -7.100 1.00 0.00 O ATOM 1234 CB ALA A 92 0.903 -5.765 -9.322 1.00 0.00 C ATOM 0 H ALA A 92 -1.209 -7.230 -9.403 1.00 0.00 H new ATOM 0 HA ALA A 92 1.384 -7.372 -7.992 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.648 -5.093 -8.896 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.323 -6.268 -10.193 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.026 -5.191 -9.622 1.00 0.00 H new ATOM 1240 N CYS A 93 0.622 -6.293 -5.904 1.00 0.00 N ATOM 1241 CA CYS A 93 0.188 -5.702 -4.654 1.00 0.00 C ATOM 1242 C CYS A 93 1.046 -4.487 -4.333 1.00 0.00 C ATOM 1243 O CYS A 93 2.205 -4.420 -4.736 1.00 0.00 O ATOM 1244 CB CYS A 93 0.283 -6.742 -3.541 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.903 -8.100 -3.699 1.00 0.00 S ATOM 0 H CYS A 93 1.485 -6.833 -5.836 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.849 -5.376 -4.741 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.292 -7.154 -3.528 1.00 0.00 H new ATOM 0 HB3 CYS A 93 0.128 -6.248 -2.582 1.00 0.00 H new ATOM 1250 N GLN A 94 0.475 -3.525 -3.605 1.00 0.00 N ATOM 1251 CA GLN A 94 1.189 -2.320 -3.236 1.00 0.00 C ATOM 1252 C GLN A 94 0.630 -1.766 -1.933 1.00 0.00 C ATOM 1253 O GLN A 94 -0.563 -1.889 -1.665 1.00 0.00 O ATOM 1254 CB GLN A 94 1.064 -1.293 -4.358 1.00 0.00 C ATOM 1255 CG GLN A 94 -0.037 -0.294 -4.014 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.599 0.349 -5.274 1.00 0.00 C ATOM 1257 OE1 GLN A 94 0.155 0.756 -6.155 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -1.928 0.442 -5.356 1.00 0.00 N ATOM 0 H GLN A 94 -0.485 -3.566 -3.262 1.00 0.00 H new ATOM 0 HA GLN A 94 2.244 -2.549 -3.086 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.012 -0.772 -4.496 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.835 -1.793 -5.299 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.836 -0.799 -3.471 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.359 0.477 -3.353 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -2.512 0.089 -4.598 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.360 0.866 -6.177 1.00 0.00 H new ATOM 1267 N VAL A 95 1.497 -1.154 -1.122 1.00 0.00 N ATOM 1268 CA VAL A 95 1.087 -0.585 0.146 1.00 0.00 C ATOM 1269 C VAL A 95 1.149 0.933 0.073 1.00 0.00 C ATOM 1270 O VAL A 95 1.846 1.488 -0.774 1.00 0.00 O ATOM 1271 CB VAL A 95 1.994 -1.111 1.255 1.00 0.00 C ATOM 1272 CG1 VAL A 95 2.000 -0.123 2.418 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.475 -2.462 1.738 1.00 0.00 C ATOM 0 H VAL A 95 2.489 -1.044 -1.330 1.00 0.00 H new ATOM 0 HA VAL A 95 0.060 -0.877 0.366 1.00 0.00 H new ATOM 0 HB VAL A 95 3.008 -1.227 0.872 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.648 -0.498 3.211 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.370 0.843 2.073 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.987 -0.007 2.802 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.122 -2.838 2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.461 -2.346 2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.470 -3.168 0.907 1.00 0.00 H new ATOM 1283 N GLY A 96 0.418 1.607 0.964 1.00 0.00 N ATOM 1284 CA GLY A 96 0.398 3.056 0.991 1.00 0.00 C ATOM 1285 C GLY A 96 -0.478 3.550 2.134 1.00 0.00 C ATOM 1286 O GLY A 96 -1.194 2.767 2.754 1.00 0.00 O ATOM 0 H GLY A 96 -0.166 1.164 1.674 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.412 3.439 1.109 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.021 3.439 0.043 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.419 4.855 2.412 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.204 5.446 3.477 1.00 0.00 C ATOM 1292 C LEU A 97 -1.986 6.637 2.942 1.00 0.00 C ATOM 1293 O LEU A 97 -1.419 7.517 2.298 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.279 5.874 4.613 1.00 0.00 C ATOM 1295 CG LEU A 97 0.708 6.919 4.099 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.876 8.018 5.145 1.00 0.00 C ATOM 1297 CD2 LEU A 97 2.057 6.258 3.834 1.00 0.00 C ATOM 0 H LEU A 97 0.170 5.517 1.907 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.914 4.713 3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.863 6.284 5.437 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.260 5.010 5.003 1.00 0.00 H new ATOM 0 HG LEU A 97 0.329 7.353 3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.581 8.764 4.779 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.088 8.491 5.334 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.255 7.585 6.070 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.762 7.004 3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.437 5.824 4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.937 5.473 3.087 1.00 0.00 H new ATOM 1309 N SER A 98 -3.294 6.663 3.210 1.00 0.00 N ATOM 1310 CA SER A 98 -4.145 7.744 2.756 1.00 0.00 C ATOM 1311 C SER A 98 -4.593 8.583 3.945 1.00 0.00 C ATOM 1312 O SER A 98 -4.685 8.081 5.062 1.00 0.00 O ATOM 1313 CB SER A 98 -5.349 7.167 2.017 1.00 0.00 C ATOM 1314 OG SER A 98 -4.973 6.826 0.702 1.00 0.00 O ATOM 0 H SER A 98 -3.780 5.941 3.742 1.00 0.00 H new ATOM 0 HA SER A 98 -3.590 8.386 2.073 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.723 6.287 2.540 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.160 7.895 1.998 1.00 0.00 H new ATOM 0 HG SER A 98 -5.745 6.454 0.227 1.00 0.00 H new ATOM 1320 N ASP A 99 -4.872 9.865 3.700 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.307 10.766 4.749 1.00 0.00 C ATOM 1322 C ASP A 99 -6.739 11.209 4.485 1.00 0.00 C ATOM 1323 O ASP A 99 -7.410 10.659 3.615 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.371 11.969 4.807 1.00 0.00 C ATOM 1325 CG ASP A 99 -4.911 13.120 3.970 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -4.659 13.099 2.746 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.567 13.999 4.570 1.00 0.00 O ATOM 0 H ASP A 99 -4.802 10.296 2.778 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.277 10.253 5.710 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.251 12.292 5.841 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.383 11.684 4.445 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.206 12.207 5.239 1.00 0.00 N ATOM 1333 CA ALA A 100 -8.554 12.716 5.083 1.00 0.00 C ATOM 1334 C ALA A 100 -8.725 13.304 3.690 1.00 0.00 C ATOM 1335 O ALA A 100 -9.693 12.995 2.999 1.00 0.00 O ATOM 1336 CB ALA A 100 -8.824 13.771 6.152 1.00 0.00 C ATOM 0 H ALA A 100 -6.662 12.674 5.964 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.271 11.903 5.203 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.837 14.155 6.036 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.716 13.324 7.140 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.112 14.589 6.044 1.00 0.00 H new ATOM 1342 N ALA A 101 -7.781 14.154 3.279 1.00 0.00 N ATOM 1343 CA ALA A 101 -7.833 14.781 1.973 1.00 0.00 C ATOM 1344 C ALA A 101 -7.665 13.726 0.888 1.00 0.00 C ATOM 1345 O ALA A 101 -8.103 13.922 -0.243 1.00 0.00 O ATOM 1346 CB ALA A 101 -6.738 15.838 1.874 1.00 0.00 C ATOM 0 H ALA A 101 -6.972 14.419 3.840 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.800 15.265 1.835 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -6.776 16.310 0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.890 16.593 2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.765 15.368 2.013 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.028 12.605 1.235 1.00 0.00 N ATOM 1353 CA GLY A 102 -6.808 11.531 0.287 1.00 0.00 C ATOM 1354 C GLY A 102 -5.451 11.689 -0.383 1.00 0.00 C ATOM 1355 O GLY A 102 -5.358 11.700 -1.609 1.00 0.00 O ATOM 0 H GLY A 102 -6.658 12.426 2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.859 10.569 0.798 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.596 11.534 -0.466 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.395 11.811 0.425 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.051 11.967 -0.093 1.00 0.00 C ATOM 1361 C ASN A 103 -2.103 11.019 0.629 1.00 0.00 C ATOM 1362 O ASN A 103 -2.490 10.369 1.597 1.00 0.00 O ATOM 1363 CB ASN A 103 -2.604 13.415 0.082 1.00 0.00 C ATOM 1364 CG ASN A 103 -1.736 13.569 1.322 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -0.615 14.067 1.239 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -2.256 13.143 2.475 1.00 0.00 N ATOM 0 H ASN A 103 -4.455 11.804 1.443 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.037 11.721 -1.155 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.048 13.737 -0.798 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.477 14.062 0.162 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -1.718 13.224 3.338 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.191 12.736 2.493 1.00 0.00 H new ATOM 1373 N GLY A 104 -0.857 10.942 0.155 1.00 0.00 N ATOM 1374 CA GLY A 104 0.134 10.075 0.760 1.00 0.00 C ATOM 1375 C GLY A 104 1.470 10.222 0.044 1.00 0.00 C ATOM 1376 O GLY A 104 1.584 10.985 -0.913 1.00 0.00 O ATOM 0 H GLY A 104 -0.519 11.474 -0.647 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.249 10.323 1.815 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.201 9.039 0.711 1.00 0.00 H new ATOM 1380 N PRO A 105 2.482 9.487 0.511 1.00 0.00 N ATOM 1381 CA PRO A 105 3.819 9.495 -0.042 1.00 0.00 C ATOM 1382 C PRO A 105 3.821 8.774 -1.383 1.00 0.00 C ATOM 1383 O PRO A 105 2.917 7.993 -1.671 1.00 0.00 O ATOM 1384 CB PRO A 105 4.671 8.750 0.982 1.00 0.00 C ATOM 1385 CG PRO A 105 3.676 7.769 1.600 1.00 0.00 C ATOM 1386 CD PRO A 105 2.383 8.580 1.634 1.00 0.00 C ATOM 0 HA PRO A 105 4.198 10.501 -0.221 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.509 8.235 0.513 1.00 0.00 H new ATOM 0 HB3 PRO A 105 5.090 9.425 1.728 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.572 6.866 0.999 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.983 7.455 2.597 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.509 7.934 1.544 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.282 9.124 2.573 1.00 0.00 H new ATOM 1394 N GLU A 106 4.841 9.038 -2.204 1.00 0.00 N ATOM 1395 CA GLU A 106 4.951 8.413 -3.506 1.00 0.00 C ATOM 1396 C GLU A 106 4.463 6.974 -3.435 1.00 0.00 C ATOM 1397 O GLU A 106 4.982 6.177 -2.656 1.00 0.00 O ATOM 1398 CB GLU A 106 6.403 8.469 -3.974 1.00 0.00 C ATOM 1399 CG GLU A 106 6.546 9.528 -5.063 1.00 0.00 C ATOM 1400 CD GLU A 106 6.842 8.885 -6.410 1.00 0.00 C ATOM 1401 OE1 GLU A 106 6.045 8.007 -6.807 1.00 0.00 O ATOM 1402 OE2 GLU A 106 7.858 9.283 -7.019 1.00 0.00 O ATOM 0 H GLU A 106 5.599 9.683 -1.981 1.00 0.00 H new ATOM 0 HA GLU A 106 4.329 8.949 -4.223 1.00 0.00 H new ATOM 0 HB2 GLU A 106 7.058 8.704 -3.135 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.711 7.496 -4.356 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.629 10.114 -5.129 1.00 0.00 H new ATOM 0 HG3 GLU A 106 7.348 10.219 -4.801 1.00 0.00 H new ATOM 1409 N GLY A 107 3.461 6.640 -4.252 1.00 0.00 N ATOM 1410 CA GLY A 107 2.912 5.299 -4.275 1.00 0.00 C ATOM 1411 C GLY A 107 4.026 4.270 -4.139 1.00 0.00 C ATOM 1412 O GLY A 107 5.175 4.549 -4.473 1.00 0.00 O ATOM 0 H GLY A 107 3.019 7.287 -4.904 1.00 0.00 H new ATOM 0 HA2 GLY A 107 2.195 5.178 -3.463 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.369 5.137 -5.206 1.00 0.00 H new ATOM 1416 N VAL A 108 3.682 3.078 -3.645 1.00 0.00 N ATOM 1417 CA VAL A 108 4.651 2.016 -3.467 1.00 0.00 C ATOM 1418 C VAL A 108 4.152 0.746 -4.142 1.00 0.00 C ATOM 1419 O VAL A 108 3.178 0.145 -3.695 1.00 0.00 O ATOM 1420 CB VAL A 108 4.880 1.782 -1.977 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.477 0.394 -1.765 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.842 2.838 -1.439 1.00 0.00 C ATOM 0 H VAL A 108 2.733 2.832 -3.363 1.00 0.00 H new ATOM 0 HA VAL A 108 5.598 2.301 -3.926 1.00 0.00 H new ATOM 0 HB VAL A 108 3.930 1.852 -1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.641 0.227 -0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.790 -0.360 -2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.427 0.322 -2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 108 6.006 2.672 -0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.792 2.768 -1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.415 3.830 -1.590 1.00 0.00 H new ATOM 1432 N ALA A 109 4.824 0.339 -5.221 1.00 0.00 N ATOM 1433 CA ALA A 109 4.446 -0.855 -5.952 1.00 0.00 C ATOM 1434 C ALA A 109 5.230 -2.049 -5.427 1.00 0.00 C ATOM 1435 O ALA A 109 6.451 -1.989 -5.307 1.00 0.00 O ATOM 1436 CB ALA A 109 4.713 -0.645 -7.439 1.00 0.00 C ATOM 0 H ALA A 109 5.635 0.826 -5.603 1.00 0.00 H new ATOM 0 HA ALA A 109 3.383 -1.052 -5.811 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.429 -1.542 -7.990 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.128 0.202 -7.798 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.773 -0.444 -7.594 1.00 0.00 H new ATOM 1442 N ILE A 110 4.522 -3.137 -5.112 1.00 0.00 N ATOM 1443 CA ILE A 110 5.151 -4.340 -4.603 1.00 0.00 C ATOM 1444 C ILE A 110 5.218 -5.391 -5.703 1.00 0.00 C ATOM 1445 O ILE A 110 4.430 -5.355 -6.646 1.00 0.00 O ATOM 1446 CB ILE A 110 4.361 -4.858 -3.405 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.788 -3.680 -2.624 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.284 -5.669 -2.500 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.051 -4.196 -1.392 1.00 0.00 C ATOM 0 H ILE A 110 3.508 -3.201 -5.204 1.00 0.00 H new ATOM 0 HA ILE A 110 6.168 -4.116 -4.280 1.00 0.00 H new ATOM 0 HB ILE A 110 3.546 -5.492 -3.754 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.589 -3.004 -2.325 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.107 -3.108 -3.255 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.720 -6.040 -1.644 1.00 0.00 H new ATOM 0 HG22 ILE A 110 5.692 -6.512 -3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 110 6.100 -5.036 -2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.642 -3.354 -0.834 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.240 -4.854 -1.703 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.744 -4.749 -0.758 1.00 0.00 H new ATOM 1461 N SER A 111 6.161 -6.327 -5.580 1.00 0.00 N ATOM 1462 CA SER A 111 6.323 -7.381 -6.561 1.00 0.00 C ATOM 1463 C SER A 111 6.757 -8.667 -5.872 1.00 0.00 C ATOM 1464 O SER A 111 7.705 -8.665 -5.090 1.00 0.00 O ATOM 1465 CB SER A 111 7.352 -6.951 -7.602 1.00 0.00 C ATOM 1466 OG SER A 111 7.757 -8.074 -8.353 1.00 0.00 O ATOM 0 H SER A 111 6.822 -6.369 -4.805 1.00 0.00 H new ATOM 0 HA SER A 111 5.373 -7.565 -7.062 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.925 -6.194 -8.260 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.214 -6.498 -7.112 1.00 0.00 H new ATOM 0 HG SER A 111 8.417 -7.799 -9.023 1.00 0.00 H new ATOM 1472 N PHE A 112 6.060 -9.768 -6.164 1.00 0.00 N ATOM 1473 CA PHE A 112 6.378 -11.051 -5.573 1.00 0.00 C ATOM 1474 C PHE A 112 7.263 -11.851 -6.519 1.00 0.00 C ATOM 1475 O PHE A 112 6.917 -12.041 -7.683 1.00 0.00 O ATOM 1476 CB PHE A 112 5.086 -11.806 -5.272 1.00 0.00 C ATOM 1477 CG PHE A 112 4.416 -11.366 -3.992 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.996 -10.039 -3.841 1.00 0.00 C ATOM 1479 CD2 PHE A 112 4.217 -12.285 -2.955 1.00 0.00 C ATOM 1480 CE1 PHE A 112 3.377 -9.631 -2.654 1.00 0.00 C ATOM 1481 CE2 PHE A 112 3.597 -11.877 -1.767 1.00 0.00 C ATOM 1482 CZ PHE A 112 3.177 -10.550 -1.617 1.00 0.00 C ATOM 0 H PHE A 112 5.271 -9.787 -6.810 1.00 0.00 H new ATOM 0 HA PHE A 112 6.921 -10.901 -4.640 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.393 -11.669 -6.102 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.303 -12.872 -5.211 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.150 -9.330 -4.641 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.541 -13.309 -3.071 1.00 0.00 H new ATOM 0 HE1 PHE A 112 3.054 -8.607 -2.538 1.00 0.00 H new ATOM 0 HE2 PHE A 112 3.443 -12.586 -0.967 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.699 -10.235 -0.701 1.00 0.00 H new ATOM 1492 N ASN A 113 8.407 -12.320 -6.016 1.00 0.00 N ATOM 1493 CA ASN A 113 9.331 -13.096 -6.819 1.00 0.00 C ATOM 1494 C ASN A 113 9.643 -12.356 -8.111 1.00 0.00 C ATOM 1495 O ASN A 113 10.772 -12.398 -8.597 1.00 0.00 O ATOM 1496 CB ASN A 113 8.723 -14.464 -7.113 1.00 0.00 C ATOM 1497 CG ASN A 113 8.701 -15.330 -5.861 1.00 0.00 C ATOM 1498 OD1 ASN A 113 9.572 -16.176 -5.675 1.00 0.00 O ATOM 1499 ND2 ASN A 113 7.703 -15.115 -5.001 1.00 0.00 N ATOM 0 H ASN A 113 8.709 -12.171 -5.053 1.00 0.00 H new ATOM 0 HA ASN A 113 10.263 -13.236 -6.272 1.00 0.00 H new ATOM 0 HB2 ASN A 113 7.709 -14.341 -7.493 1.00 0.00 H new ATOM 0 HB3 ASN A 113 9.298 -14.962 -7.894 1.00 0.00 H new ATOM 0 HD21 ASN A 113 7.640 -15.665 -4.145 1.00 0.00 H new ATOM 0 HD22 ASN A 113 7.003 -14.400 -5.200 1.00 0.00 H new TER 1506 ASN A 113