USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 718 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 56 THR OG1 : rot -16:sc= 0.649 USER MOD Set 1.2: A 59 ASN : amide:sc= 1.02 K(o=1.7,f=-8.2!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -77:sc= -0.826 USER MOD Single : A 44 GLN : amide:sc= -0.04 X(o=-0.04,f=-0.26) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -175:sc= -0.0672 (180deg=-0.127) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 65 SER OG : rot -76:sc= 0.0415 USER MOD Single : A 67 THR OG1 : rot -158:sc= 0.802 USER MOD Single : A 68 ASN : amide:sc= -0.027 K(o=-0.027,f=-1) USER MOD Single : A 69 ASN : amide:sc= -0.0951 K(o=-0.095,f=-1.1!) USER MOD Single : A 71 LYS NZ :NH3+ 131:sc= 0.0792 (180deg=-0.168) USER MOD Single : A 74 THR OG1 : rot 175:sc= 0.911 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.307 X(o=-0.31,f=-0.086) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 95 ASN : amide:sc= -0.0198 K(o=-0.02,f=-1.3!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0.159 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.821 K(o=-0.82,f=-2!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -0.676 K(o=-0.68,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 -0.292 -27.220 -17.983 1.00 0.00 N ATOM 2 CA GLY A 29 -1.430 -27.309 -18.881 1.00 0.00 C ATOM 3 C GLY A 29 -1.501 -26.142 -19.845 1.00 0.00 C ATOM 4 O GLY A 29 -0.952 -25.074 -19.578 1.00 0.00 O ATOM 0 HA2 GLY A 29 -1.371 -28.239 -19.446 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.349 -27.349 -18.296 1.00 0.00 H new ATOM 10 N SER A 30 -2.176 -26.347 -20.971 1.00 0.00 N ATOM 11 CA SER A 30 -2.167 -25.374 -22.058 1.00 0.00 C ATOM 12 C SER A 30 -3.314 -24.379 -21.907 1.00 0.00 C ATOM 13 O SER A 30 -4.284 -24.638 -21.196 1.00 0.00 O ATOM 14 CB SER A 30 -2.250 -26.082 -23.395 1.00 0.00 C ATOM 15 OG SER A 30 -3.470 -26.751 -23.562 1.00 0.00 O ATOM 0 H SER A 30 -2.737 -27.179 -21.155 1.00 0.00 H new ATOM 0 HA SER A 30 -1.230 -24.818 -22.014 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.122 -25.356 -24.198 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.431 -26.796 -23.478 1.00 0.00 H new ATOM 0 HG SER A 30 -3.484 -27.193 -24.437 1.00 0.00 H new ATOM 21 N GLU A 31 -3.192 -23.240 -22.583 1.00 0.00 N ATOM 22 CA GLU A 31 -3.761 -21.994 -22.084 1.00 0.00 C ATOM 23 C GLU A 31 -5.233 -21.875 -22.471 1.00 0.00 C ATOM 24 O GLU A 31 -5.567 -21.747 -23.646 1.00 0.00 O ATOM 25 CB GLU A 31 -2.975 -20.794 -22.617 1.00 0.00 C ATOM 26 CG GLU A 31 -3.457 -19.446 -22.098 1.00 0.00 C ATOM 27 CD GLU A 31 -2.635 -18.320 -22.660 1.00 0.00 C ATOM 28 OE1 GLU A 31 -1.742 -18.585 -23.428 1.00 0.00 O ATOM 29 OE2 GLU A 31 -2.971 -17.185 -22.412 1.00 0.00 O ATOM 0 H GLU A 31 -2.705 -23.155 -23.475 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.692 -22.003 -20.996 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.925 -20.917 -22.353 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.032 -20.792 -23.706 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.504 -19.304 -22.366 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.402 -19.432 -21.010 1.00 0.00 H new ATOM 36 N GLU A 32 -6.107 -21.917 -21.469 1.00 0.00 N ATOM 37 CA GLU A 32 -7.543 -21.826 -21.705 1.00 0.00 C ATOM 38 C GLU A 32 -8.101 -20.512 -21.167 1.00 0.00 C ATOM 39 O GLU A 32 -8.647 -19.702 -21.917 1.00 0.00 O ATOM 40 CB GLU A 32 -8.269 -23.011 -21.064 1.00 0.00 C ATOM 41 CG GLU A 32 -7.935 -24.361 -21.682 1.00 0.00 C ATOM 42 CD GLU A 32 -8.702 -25.470 -21.016 1.00 0.00 C ATOM 43 OE1 GLU A 32 -9.479 -25.185 -20.138 1.00 0.00 O ATOM 44 OE2 GLU A 32 -8.594 -26.589 -21.460 1.00 0.00 O ATOM 0 H GLU A 32 -5.846 -22.013 -20.488 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.710 -21.854 -22.782 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.024 -23.040 -20.002 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.344 -22.847 -21.139 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.167 -24.344 -22.747 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.865 -24.550 -21.592 1.00 0.00 H new ATOM 51 N LYS A 33 -7.957 -20.306 -19.862 1.00 0.00 N ATOM 52 CA LYS A 33 -8.631 -19.206 -19.183 1.00 0.00 C ATOM 53 C LYS A 33 -7.626 -18.157 -18.717 1.00 0.00 C ATOM 54 O LYS A 33 -7.027 -18.290 -17.650 1.00 0.00 O ATOM 55 CB LYS A 33 -9.442 -19.725 -17.994 1.00 0.00 C ATOM 56 CG LYS A 33 -10.610 -20.625 -18.376 1.00 0.00 C ATOM 57 CD LYS A 33 -11.398 -21.058 -17.147 1.00 0.00 C ATOM 58 CE LYS A 33 -12.563 -21.962 -17.527 1.00 0.00 C ATOM 59 NZ LYS A 33 -13.439 -22.258 -16.361 1.00 0.00 N ATOM 0 H LYS A 33 -7.380 -20.887 -19.254 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.312 -18.738 -19.894 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.777 -20.275 -17.328 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.824 -18.874 -17.430 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.269 -20.097 -19.066 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.238 -21.505 -18.901 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.738 -21.582 -16.456 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.773 -20.178 -16.624 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.151 -21.486 -18.311 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.179 -22.895 -17.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.220 -22.876 -16.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.884 -22.735 -15.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.826 -21.370 -15.983 1.00 0.00 H new ATOM 73 N GLU A 34 -7.447 -17.115 -19.524 1.00 0.00 N ATOM 74 CA GLU A 34 -6.446 -16.094 -19.241 1.00 0.00 C ATOM 75 C GLU A 34 -7.082 -14.707 -19.193 1.00 0.00 C ATOM 76 O GLU A 34 -7.634 -14.233 -20.185 1.00 0.00 O ATOM 77 CB GLU A 34 -5.331 -16.130 -20.288 1.00 0.00 C ATOM 78 CG GLU A 34 -4.250 -15.078 -20.091 1.00 0.00 C ATOM 79 CD GLU A 34 -3.547 -15.256 -18.774 1.00 0.00 C ATOM 80 OE1 GLU A 34 -3.005 -16.312 -18.550 1.00 0.00 O ATOM 81 OE2 GLU A 34 -3.456 -14.302 -18.038 1.00 0.00 O ATOM 0 H GLU A 34 -7.982 -16.957 -20.378 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.014 -16.307 -18.263 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.868 -17.117 -20.274 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.773 -15.999 -21.276 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.526 -15.141 -20.903 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.695 -14.084 -20.137 1.00 0.00 H new ATOM 88 N GLU A 35 -7.000 -14.065 -18.033 1.00 0.00 N ATOM 89 CA GLU A 35 -7.938 -13.006 -17.679 1.00 0.00 C ATOM 90 C GLU A 35 -7.202 -11.802 -17.095 1.00 0.00 C ATOM 91 O GLU A 35 -6.056 -11.909 -16.663 1.00 0.00 O ATOM 92 CB GLU A 35 -8.981 -13.520 -16.685 1.00 0.00 C ATOM 93 CG GLU A 35 -9.855 -14.646 -17.217 1.00 0.00 C ATOM 94 CD GLU A 35 -10.870 -15.080 -16.197 1.00 0.00 C ATOM 95 OE1 GLU A 35 -10.862 -14.545 -15.115 1.00 0.00 O ATOM 96 OE2 GLU A 35 -11.724 -15.865 -16.535 1.00 0.00 O ATOM 0 H GLU A 35 -6.294 -14.259 -17.322 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.449 -12.690 -18.589 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.469 -13.867 -15.787 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.621 -12.690 -16.387 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.365 -14.316 -18.122 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.229 -15.495 -17.494 1.00 0.00 H new ATOM 103 N LYS A 36 -7.873 -10.654 -17.088 1.00 0.00 N ATOM 104 CA LYS A 36 -7.218 -9.388 -16.779 1.00 0.00 C ATOM 105 C LYS A 36 -6.696 -9.381 -15.346 1.00 0.00 C ATOM 106 O LYS A 36 -7.210 -8.662 -14.489 1.00 0.00 O ATOM 107 CB LYS A 36 -8.181 -8.219 -16.996 1.00 0.00 C ATOM 108 CG LYS A 36 -8.546 -7.967 -18.453 1.00 0.00 C ATOM 109 CD LYS A 36 -9.455 -6.756 -18.593 1.00 0.00 C ATOM 110 CE LYS A 36 -9.850 -6.525 -20.045 1.00 0.00 C ATOM 111 NZ LYS A 36 -10.750 -5.349 -20.197 1.00 0.00 N ATOM 0 H LYS A 36 -8.869 -10.575 -17.293 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.370 -9.274 -17.454 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.095 -8.407 -16.433 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.734 -7.314 -16.584 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.638 -7.812 -19.036 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.042 -8.846 -18.863 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.351 -6.899 -17.989 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.948 -5.872 -18.207 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.953 -6.375 -20.645 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.347 -7.415 -20.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.995 -5.227 -21.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.618 -5.502 -19.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.267 -4.495 -19.852 1.00 0.00 H new ATOM 125 N LYS A 37 -5.668 -10.185 -15.091 1.00 0.00 N ATOM 126 CA LYS A 37 -5.007 -10.196 -13.791 1.00 0.00 C ATOM 127 C LYS A 37 -4.524 -8.799 -13.416 1.00 0.00 C ATOM 128 O LYS A 37 -4.690 -7.847 -14.179 1.00 0.00 O ATOM 129 CB LYS A 37 -3.835 -11.178 -13.793 1.00 0.00 C ATOM 130 CG LYS A 37 -2.710 -10.812 -14.750 1.00 0.00 C ATOM 131 CD LYS A 37 -1.665 -11.915 -14.824 1.00 0.00 C ATOM 132 CE LYS A 37 -0.902 -12.043 -13.513 1.00 0.00 C ATOM 133 NZ LYS A 37 0.177 -13.064 -13.594 1.00 0.00 N ATOM 0 H LYS A 37 -5.275 -10.838 -15.769 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.733 -10.520 -13.046 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.430 -11.243 -12.783 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.208 -12.169 -14.052 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.120 -10.630 -15.743 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.240 -9.884 -14.424 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.149 -12.863 -15.059 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.967 -11.704 -15.634 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.469 -11.078 -13.250 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.595 -12.310 -12.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.672 -13.120 -12.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.238 -13.990 -13.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.853 -12.797 -14.338 1.00 0.00 H new ATOM 147 N VAL A 38 -3.924 -8.684 -12.235 1.00 0.00 N ATOM 148 CA VAL A 38 -3.795 -7.394 -11.566 1.00 0.00 C ATOM 149 C VAL A 38 -3.369 -6.307 -12.546 1.00 0.00 C ATOM 150 O VAL A 38 -2.812 -6.596 -13.607 1.00 0.00 O ATOM 151 CB VAL A 38 -2.774 -7.459 -10.415 1.00 0.00 C ATOM 152 CG1 VAL A 38 -3.214 -8.470 -9.367 1.00 0.00 C ATOM 153 CG2 VAL A 38 -1.391 -7.799 -10.949 1.00 0.00 C ATOM 0 H VAL A 38 -3.520 -9.468 -11.722 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.776 -7.149 -11.159 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.724 -6.479 -9.940 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.480 -8.502 -8.562 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.183 -8.177 -8.963 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.294 -9.456 -9.824 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.682 -7.841 -10.122 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.422 -8.767 -11.450 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.077 -7.033 -11.658 1.00 0.00 H new ATOM 163 N ARG A 39 -3.635 -5.056 -12.187 1.00 0.00 N ATOM 164 CA ARG A 39 -3.577 -3.957 -13.143 1.00 0.00 C ATOM 165 C ARG A 39 -2.298 -3.144 -12.959 1.00 0.00 C ATOM 166 O ARG A 39 -1.518 -3.396 -12.042 1.00 0.00 O ATOM 167 CB ARG A 39 -4.816 -3.076 -13.082 1.00 0.00 C ATOM 168 CG ARG A 39 -6.131 -3.804 -13.311 1.00 0.00 C ATOM 169 CD ARG A 39 -6.272 -4.402 -14.664 1.00 0.00 C ATOM 170 NE ARG A 39 -6.292 -3.436 -15.750 1.00 0.00 N ATOM 171 CZ ARG A 39 -6.352 -3.757 -17.057 1.00 0.00 C ATOM 172 NH1 ARG A 39 -6.358 -5.012 -17.447 1.00 0.00 N ATOM 173 NH2 ARG A 39 -6.377 -2.774 -17.940 1.00 0.00 N ATOM 0 H ARG A 39 -3.893 -4.778 -11.240 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.557 -4.394 -14.141 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.851 -2.591 -12.107 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.720 -2.287 -13.828 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.230 -4.593 -12.566 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.952 -3.106 -13.148 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.449 -5.097 -14.828 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.193 -4.985 -14.696 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.258 -2.446 -15.505 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.317 -5.761 -16.756 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.404 -5.237 -18.441 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.351 -1.804 -17.625 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.422 -2.985 -18.937 1.00 0.00 H new ATOM 187 N GLU A 40 -2.093 -2.169 -13.837 1.00 0.00 N ATOM 188 CA GLU A 40 -0.869 -1.374 -13.826 1.00 0.00 C ATOM 189 C GLU A 40 -0.838 -0.445 -12.614 1.00 0.00 C ATOM 190 O GLU A 40 -1.722 -0.490 -11.759 1.00 0.00 O ATOM 191 CB GLU A 40 -0.742 -0.563 -15.116 1.00 0.00 C ATOM 192 CG GLU A 40 -1.802 0.515 -15.291 1.00 0.00 C ATOM 193 CD GLU A 40 -1.647 1.227 -16.605 1.00 0.00 C ATOM 194 OE1 GLU A 40 -0.744 0.896 -17.334 1.00 0.00 O ATOM 195 OE2 GLU A 40 -2.495 2.023 -16.930 1.00 0.00 O ATOM 0 H GLU A 40 -2.758 -1.909 -14.566 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.023 -2.058 -13.760 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.242 -0.095 -15.140 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.792 -1.245 -15.965 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.793 0.066 -15.234 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.730 1.234 -14.475 1.00 0.00 H new ATOM 202 N LEU A 41 0.190 0.395 -12.548 1.00 0.00 N ATOM 203 CA LEU A 41 0.394 1.265 -11.393 1.00 0.00 C ATOM 204 C LEU A 41 0.393 2.732 -11.811 1.00 0.00 C ATOM 205 O LEU A 41 1.448 3.355 -11.934 1.00 0.00 O ATOM 206 CB LEU A 41 1.713 0.921 -10.700 1.00 0.00 C ATOM 207 CG LEU A 41 1.688 -0.298 -9.776 1.00 0.00 C ATOM 208 CD1 LEU A 41 1.927 -1.573 -10.568 1.00 0.00 C ATOM 209 CD2 LEU A 41 2.725 -0.150 -8.671 1.00 0.00 C ATOM 0 H LEU A 41 0.894 0.492 -13.279 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.429 1.104 -10.696 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.471 0.756 -11.466 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.031 1.786 -10.118 1.00 0.00 H new ATOM 0 HG LEU A 41 0.702 -0.362 -9.315 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.906 -2.429 -9.894 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.147 -1.685 -11.322 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.900 -1.520 -11.057 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.694 -1.026 -8.023 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.717 -0.061 -9.113 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.507 0.743 -8.085 1.00 0.00 H new ATOM 221 N THR A 42 -0.798 3.279 -12.026 1.00 0.00 N ATOM 222 CA THR A 42 -0.941 4.685 -12.384 1.00 0.00 C ATOM 223 C THR A 42 -0.685 5.587 -11.181 1.00 0.00 C ATOM 224 O THR A 42 -0.787 5.168 -10.028 1.00 0.00 O ATOM 225 CB THR A 42 -2.341 4.986 -12.949 1.00 0.00 C ATOM 226 OG1 THR A 42 -3.336 4.660 -11.970 1.00 0.00 O ATOM 227 CG2 THR A 42 -2.592 4.173 -14.210 1.00 0.00 C ATOM 0 H THR A 42 -1.679 2.770 -11.959 1.00 0.00 H new ATOM 0 HA THR A 42 -0.198 4.890 -13.155 1.00 0.00 H new ATOM 0 HB THR A 42 -2.397 6.047 -13.194 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.463 3.689 -11.944 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.586 4.398 -14.596 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.845 4.427 -14.962 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.525 3.110 -13.977 1.00 0.00 H new ATOM 235 N PRO A 43 -0.346 6.856 -11.453 1.00 0.00 N ATOM 236 CA PRO A 43 -0.145 7.863 -10.408 1.00 0.00 C ATOM 237 C PRO A 43 -1.450 8.246 -9.715 1.00 0.00 C ATOM 238 O PRO A 43 -1.450 8.635 -8.547 1.00 0.00 O ATOM 239 CB PRO A 43 0.425 9.060 -11.172 1.00 0.00 C ATOM 240 CG PRO A 43 -0.057 8.881 -12.571 1.00 0.00 C ATOM 241 CD PRO A 43 -0.099 7.395 -12.806 1.00 0.00 C ATOM 0 HA PRO A 43 0.505 7.500 -9.612 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.075 10.002 -10.750 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.514 9.076 -11.127 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -1.043 9.325 -12.704 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.611 9.370 -13.280 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -0.890 7.118 -13.502 1.00 0.00 H new ATOM 0 HD3 PRO A 43 0.837 7.025 -13.224 1.00 0.00 H new ATOM 249 N GLN A 44 -2.557 8.133 -10.441 1.00 0.00 N ATOM 250 CA GLN A 44 -3.868 8.458 -9.891 1.00 0.00 C ATOM 251 C GLN A 44 -4.321 7.393 -8.900 1.00 0.00 C ATOM 252 O GLN A 44 -4.964 7.700 -7.897 1.00 0.00 O ATOM 253 CB GLN A 44 -4.901 8.597 -11.012 1.00 0.00 C ATOM 254 CG GLN A 44 -6.266 9.073 -10.545 1.00 0.00 C ATOM 255 CD GLN A 44 -6.220 10.465 -9.945 1.00 0.00 C ATOM 256 OE1 GLN A 44 -5.572 11.366 -10.483 1.00 0.00 O ATOM 257 NE2 GLN A 44 -6.904 10.646 -8.821 1.00 0.00 N ATOM 0 H GLN A 44 -2.573 7.819 -11.411 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.784 9.409 -9.366 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.520 9.296 -11.757 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -5.015 7.633 -11.508 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.958 9.066 -11.387 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.658 8.375 -9.806 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.426 9.871 -8.411 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.907 11.560 -8.367 1.00 0.00 H new ATOM 266 N GLU A 45 -3.982 6.139 -9.187 1.00 0.00 N ATOM 267 CA GLU A 45 -4.338 5.032 -8.310 1.00 0.00 C ATOM 268 C GLU A 45 -3.394 4.961 -7.113 1.00 0.00 C ATOM 269 O GLU A 45 -3.790 4.555 -6.019 1.00 0.00 O ATOM 270 CB GLU A 45 -4.317 3.709 -9.079 1.00 0.00 C ATOM 271 CG GLU A 45 -5.418 3.571 -10.122 1.00 0.00 C ATOM 272 CD GLU A 45 -6.780 3.686 -9.497 1.00 0.00 C ATOM 273 OE1 GLU A 45 -7.049 2.967 -8.567 1.00 0.00 O ATOM 274 OE2 GLU A 45 -7.512 4.570 -9.877 1.00 0.00 O ATOM 0 H GLU A 45 -3.461 5.866 -10.020 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.349 5.206 -7.941 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.351 3.605 -9.572 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.402 2.888 -8.368 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.299 4.342 -10.884 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.327 2.608 -10.625 1.00 0.00 H new ATOM 281 N LEU A 46 -2.145 5.353 -7.329 1.00 0.00 N ATOM 282 CA LEU A 46 -1.131 5.290 -6.281 1.00 0.00 C ATOM 283 C LEU A 46 -1.333 6.403 -5.258 1.00 0.00 C ATOM 284 O LEU A 46 -1.305 6.163 -4.052 1.00 0.00 O ATOM 285 CB LEU A 46 0.272 5.373 -6.895 1.00 0.00 C ATOM 286 CG LEU A 46 1.429 5.304 -5.889 1.00 0.00 C ATOM 287 CD1 LEU A 46 1.390 3.981 -5.137 1.00 0.00 C ATOM 288 CD2 LEU A 46 2.753 5.468 -6.623 1.00 0.00 C ATOM 0 H LEU A 46 -1.808 5.718 -8.220 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.232 4.336 -5.764 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.386 4.560 -7.612 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.352 6.305 -7.454 1.00 0.00 H new ATOM 0 HG LEU A 46 1.328 6.111 -5.164 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.215 3.942 -4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.445 3.895 -4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.482 3.157 -5.845 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.574 5.419 -5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.863 4.670 -7.357 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.771 6.433 -7.130 1.00 0.00 H new ATOM 300 N GLU A 47 -1.538 7.622 -5.750 1.00 0.00 N ATOM 301 CA GLU A 47 -1.660 8.785 -4.880 1.00 0.00 C ATOM 302 C GLU A 47 -2.750 8.571 -3.835 1.00 0.00 C ATOM 303 O GLU A 47 -2.593 8.943 -2.670 1.00 0.00 O ATOM 304 CB GLU A 47 -1.953 10.042 -5.703 1.00 0.00 C ATOM 305 CG GLU A 47 -0.751 10.597 -6.452 1.00 0.00 C ATOM 306 CD GLU A 47 -1.141 11.756 -7.327 1.00 0.00 C ATOM 307 OE1 GLU A 47 -2.310 12.053 -7.401 1.00 0.00 O ATOM 308 OE2 GLU A 47 -0.263 12.413 -7.836 1.00 0.00 O ATOM 0 H GLU A 47 -1.623 7.828 -6.745 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.711 8.920 -4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.741 9.816 -6.422 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.340 10.815 -5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.009 10.916 -5.739 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.305 9.811 -7.062 1.00 0.00 H new ATOM 315 N LEU A 48 -3.858 7.971 -4.258 1.00 0.00 N ATOM 316 CA LEU A 48 -4.968 7.689 -3.353 1.00 0.00 C ATOM 317 C LEU A 48 -4.520 6.792 -2.204 1.00 0.00 C ATOM 318 O LEU A 48 -5.082 6.843 -1.108 1.00 0.00 O ATOM 319 CB LEU A 48 -6.117 7.025 -4.116 1.00 0.00 C ATOM 320 CG LEU A 48 -6.073 5.500 -4.200 1.00 0.00 C ATOM 321 CD1 LEU A 48 -6.705 4.878 -2.966 1.00 0.00 C ATOM 322 CD2 LEU A 48 -6.772 5.015 -5.462 1.00 0.00 C ATOM 0 H LEU A 48 -4.012 7.671 -5.221 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.314 8.635 -2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.056 7.316 -3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.132 7.425 -5.130 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.029 5.188 -4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.664 3.792 -3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.161 5.198 -2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.744 5.197 -2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.731 3.927 -5.505 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.813 5.339 -5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.274 5.432 -6.337 1.00 0.00 H new ATOM 334 N PHE A 49 -3.506 5.973 -2.460 1.00 0.00 N ATOM 335 CA PHE A 49 -2.994 5.053 -1.452 1.00 0.00 C ATOM 336 C PHE A 49 -2.319 5.814 -0.313 1.00 0.00 C ATOM 337 O PHE A 49 -2.648 5.621 0.858 1.00 0.00 O ATOM 338 CB PHE A 49 -2.014 4.061 -2.080 1.00 0.00 C ATOM 339 CG PHE A 49 -1.404 3.105 -1.095 1.00 0.00 C ATOM 340 CD1 PHE A 49 -2.107 1.991 -0.662 1.00 0.00 C ATOM 341 CD2 PHE A 49 -0.126 3.318 -0.599 1.00 0.00 C ATOM 342 CE1 PHE A 49 -1.547 1.109 0.244 1.00 0.00 C ATOM 343 CE2 PHE A 49 0.436 2.438 0.306 1.00 0.00 C ATOM 344 CZ PHE A 49 -0.276 1.333 0.728 1.00 0.00 C ATOM 0 H PHE A 49 -3.023 5.928 -3.357 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.838 4.498 -1.041 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.532 3.492 -2.851 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.217 4.616 -2.575 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.104 1.810 -1.037 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.436 4.181 -0.924 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.105 0.245 0.572 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.432 2.615 0.683 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.162 0.645 1.436 1.00 0.00 H new ATOM 354 N LYS A 50 -1.374 6.678 -0.666 1.00 0.00 N ATOM 355 CA LYS A 50 -0.719 7.538 0.314 1.00 0.00 C ATOM 356 C LYS A 50 -1.720 8.499 0.948 1.00 0.00 C ATOM 357 O LYS A 50 -1.667 8.760 2.149 1.00 0.00 O ATOM 358 CB LYS A 50 0.424 8.319 -0.338 1.00 0.00 C ATOM 359 CG LYS A 50 -0.026 9.378 -1.336 1.00 0.00 C ATOM 360 CD LYS A 50 1.158 10.148 -1.897 1.00 0.00 C ATOM 361 CE LYS A 50 0.710 11.212 -2.889 1.00 0.00 C ATOM 362 NZ LYS A 50 1.863 11.930 -3.495 1.00 0.00 N ATOM 0 H LYS A 50 -1.044 6.802 -1.623 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.307 6.904 1.099 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.011 8.800 0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.085 7.616 -0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.573 8.904 -2.151 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.715 10.069 -0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.708 10.618 -1.081 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.844 9.457 -2.387 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.118 10.747 -3.677 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.062 11.928 -2.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.514 12.645 -4.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.414 12.396 -2.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.469 11.251 -3.999 1.00 0.00 H new ATOM 376 N ARG A 51 -2.632 9.019 0.134 1.00 0.00 N ATOM 377 CA ARG A 51 -3.681 9.904 0.626 1.00 0.00 C ATOM 378 C ARG A 51 -4.503 9.218 1.716 1.00 0.00 C ATOM 379 O ARG A 51 -4.972 9.864 2.652 1.00 0.00 O ATOM 380 CB ARG A 51 -4.565 10.430 -0.495 1.00 0.00 C ATOM 381 CG ARG A 51 -5.638 11.412 -0.055 1.00 0.00 C ATOM 382 CD ARG A 51 -6.408 12.019 -1.171 1.00 0.00 C ATOM 383 NE ARG A 51 -7.496 12.886 -0.752 1.00 0.00 N ATOM 384 CZ ARG A 51 -8.373 13.475 -1.590 1.00 0.00 C ATOM 385 NH1 ARG A 51 -8.271 13.324 -2.892 1.00 0.00 N ATOM 386 NH2 ARG A 51 -9.325 14.229 -1.069 1.00 0.00 N ATOM 0 H ARG A 51 -2.666 8.843 -0.870 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.192 10.773 1.067 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.933 10.914 -1.240 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.046 9.584 -0.986 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.331 10.900 0.612 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.170 12.209 0.523 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.724 12.592 -1.797 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.815 11.220 -1.791 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.604 13.062 0.247 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.520 12.754 -3.282 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.943 13.776 -3.512 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.382 14.353 -0.058 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.003 14.687 -1.678 1.00 0.00 H new ATOM 400 N ALA A 52 -4.670 7.906 1.585 1.00 0.00 N ATOM 401 CA ALA A 52 -5.431 7.132 2.558 1.00 0.00 C ATOM 402 C ALA A 52 -4.608 6.868 3.814 1.00 0.00 C ATOM 403 O ALA A 52 -5.087 7.055 4.933 1.00 0.00 O ATOM 404 CB ALA A 52 -5.896 5.820 1.944 1.00 0.00 C ATOM 0 H ALA A 52 -4.289 7.357 0.815 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.306 7.716 2.844 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.463 5.253 2.683 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.529 6.026 1.081 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.030 5.239 1.628 1.00 0.00 H new ATOM 410 N MET A 53 -3.368 6.433 3.623 1.00 0.00 N ATOM 411 CA MET A 53 -2.491 6.103 4.741 1.00 0.00 C ATOM 412 C MET A 53 -2.069 7.364 5.489 1.00 0.00 C ATOM 413 O MET A 53 -1.576 7.294 6.614 1.00 0.00 O ATOM 414 CB MET A 53 -1.263 5.342 4.245 1.00 0.00 C ATOM 415 CG MET A 53 -1.572 3.988 3.622 1.00 0.00 C ATOM 416 SD MET A 53 -2.347 2.847 4.782 1.00 0.00 S ATOM 417 CE MET A 53 -2.860 1.535 3.678 1.00 0.00 C ATOM 0 H MET A 53 -2.947 6.300 2.704 1.00 0.00 H new ATOM 0 HA MET A 53 -3.042 5.465 5.432 1.00 0.00 H new ATOM 0 HB2 MET A 53 -0.742 5.956 3.510 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.579 5.196 5.081 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.229 4.129 2.764 1.00 0.00 H new ATOM 0 HG3 MET A 53 -0.649 3.546 3.247 1.00 0.00 H new ATOM 0 HE1 MET A 53 -3.435 0.795 4.235 1.00 0.00 H new ATOM 0 HE2 MET A 53 -3.478 1.950 2.882 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.980 1.060 3.244 1.00 0.00 H new ATOM 427 N GLY A 54 -2.264 8.517 4.856 1.00 0.00 N ATOM 428 CA GLY A 54 -1.827 9.770 5.444 1.00 0.00 C ATOM 429 C GLY A 54 -0.323 9.941 5.387 1.00 0.00 C ATOM 430 O GLY A 54 0.263 10.612 6.237 1.00 0.00 O ATOM 0 H GLY A 54 -2.717 8.606 3.946 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.304 10.599 4.922 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.156 9.815 6.482 1.00 0.00 H new ATOM 434 N ILE A 55 0.304 9.334 4.387 1.00 0.00 N ATOM 435 CA ILE A 55 1.753 9.408 4.234 1.00 0.00 C ATOM 436 C ILE A 55 2.205 10.841 3.976 1.00 0.00 C ATOM 437 O ILE A 55 1.632 11.546 3.144 1.00 0.00 O ATOM 438 CB ILE A 55 2.248 8.508 3.087 1.00 0.00 C ATOM 439 CG1 ILE A 55 1.978 7.036 3.411 1.00 0.00 C ATOM 440 CG2 ILE A 55 3.728 8.738 2.831 1.00 0.00 C ATOM 441 CD1 ILE A 55 2.227 6.100 2.249 1.00 0.00 C ATOM 0 H ILE A 55 -0.168 8.784 3.669 1.00 0.00 H new ATOM 0 HA ILE A 55 2.187 9.056 5.170 1.00 0.00 H new ATOM 0 HB ILE A 55 1.700 8.767 2.181 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.608 6.736 4.248 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.943 6.929 3.736 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.061 8.094 2.017 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.892 9.781 2.559 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.294 8.505 3.733 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.014 5.076 2.555 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.578 6.372 1.417 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.269 6.177 1.937 1.00 0.00 H new ATOM 453 N THR A 56 3.240 11.267 4.695 1.00 0.00 N ATOM 454 CA THR A 56 3.760 12.621 4.557 1.00 0.00 C ATOM 455 C THR A 56 5.149 12.615 3.931 1.00 0.00 C ATOM 456 O THR A 56 5.844 11.598 3.910 1.00 0.00 O ATOM 457 CB THR A 56 3.822 13.344 5.916 1.00 0.00 C ATOM 458 OG1 THR A 56 4.752 12.673 6.775 1.00 0.00 O ATOM 459 CG2 THR A 56 2.451 13.361 6.575 1.00 0.00 C ATOM 0 H THR A 56 3.734 10.693 5.378 1.00 0.00 H new ATOM 0 HA THR A 56 3.072 13.157 3.903 1.00 0.00 H new ATOM 0 HB THR A 56 4.146 14.371 5.749 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.941 11.780 6.418 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.514 13.876 7.534 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.744 13.882 5.930 1.00 0.00 H new ATOM 0 HG23 THR A 56 2.111 12.338 6.734 1.00 0.00 H new ATOM 467 N PRO A 57 5.569 13.779 3.407 1.00 0.00 N ATOM 468 CA PRO A 57 6.889 13.938 2.789 1.00 0.00 C ATOM 469 C PRO A 57 8.022 13.782 3.798 1.00 0.00 C ATOM 470 O PRO A 57 9.194 13.723 3.425 1.00 0.00 O ATOM 471 CB PRO A 57 6.848 15.348 2.194 1.00 0.00 C ATOM 472 CG PRO A 57 5.809 16.060 2.990 1.00 0.00 C ATOM 473 CD PRO A 57 4.765 15.020 3.302 1.00 0.00 C ATOM 0 HA PRO A 57 7.088 13.172 2.040 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.817 15.841 2.275 1.00 0.00 H new ATOM 0 HB3 PRO A 57 6.590 15.324 1.135 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.232 16.479 3.903 1.00 0.00 H new ATOM 0 HG3 PRO A 57 5.382 16.889 2.427 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.237 15.241 4.230 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.013 14.951 2.516 1.00 0.00 H new ATOM 481 N HIS A 58 7.666 13.715 5.077 1.00 0.00 N ATOM 482 CA HIS A 58 8.648 13.503 6.134 1.00 0.00 C ATOM 483 C HIS A 58 8.947 12.017 6.309 1.00 0.00 C ATOM 484 O HIS A 58 10.061 11.636 6.667 1.00 0.00 O ATOM 485 CB HIS A 58 8.160 14.101 7.458 1.00 0.00 C ATOM 486 CG HIS A 58 8.047 15.594 7.437 1.00 0.00 C ATOM 487 ND1 HIS A 58 9.147 16.423 7.371 1.00 0.00 N ATOM 488 CD2 HIS A 58 6.965 16.406 7.476 1.00 0.00 C ATOM 489 CE1 HIS A 58 8.747 17.682 7.368 1.00 0.00 C ATOM 490 NE2 HIS A 58 7.427 17.699 7.432 1.00 0.00 N ATOM 0 H HIS A 58 6.705 13.804 5.406 1.00 0.00 H new ATOM 0 HA HIS A 58 9.568 14.009 5.841 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.187 13.675 7.702 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.845 13.808 8.254 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.932 16.096 7.531 1.00 0.00 H new ATOM 0 HE1 HIS A 58 9.389 18.549 7.321 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.845 18.537 7.446 1.00 0.00 H new ATOM 498 N ASN A 59 7.943 11.184 6.054 1.00 0.00 N ATOM 499 CA ASN A 59 8.118 9.737 6.114 1.00 0.00 C ATOM 500 C ASN A 59 7.834 9.097 4.757 1.00 0.00 C ATOM 501 O ASN A 59 7.631 7.887 4.661 1.00 0.00 O ATOM 502 CB ASN A 59 7.240 9.116 7.184 1.00 0.00 C ATOM 503 CG ASN A 59 5.768 9.290 6.936 1.00 0.00 C ATOM 504 OD1 ASN A 59 5.353 9.936 5.968 1.00 0.00 O ATOM 505 ND2 ASN A 59 4.978 8.790 7.853 1.00 0.00 N ATOM 0 H ASN A 59 7.001 11.485 5.804 1.00 0.00 H new ATOM 0 HA ASN A 59 9.158 9.545 6.378 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.464 8.052 7.252 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.491 9.557 8.148 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.969 8.927 7.787 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.371 8.264 8.633 1.00 0.00 H new ATOM 512 N TYR A 60 7.823 9.918 3.714 1.00 0.00 N ATOM 513 CA TYR A 60 7.610 9.426 2.357 1.00 0.00 C ATOM 514 C TYR A 60 8.813 8.627 1.871 1.00 0.00 C ATOM 515 O TYR A 60 8.674 7.687 1.089 1.00 0.00 O ATOM 516 CB TYR A 60 7.327 10.589 1.403 1.00 0.00 C ATOM 517 CG TYR A 60 6.983 10.158 -0.004 1.00 0.00 C ATOM 518 CD1 TYR A 60 5.730 9.646 -0.307 1.00 0.00 C ATOM 519 CD2 TYR A 60 7.913 10.265 -1.028 1.00 0.00 C ATOM 520 CE1 TYR A 60 5.410 9.249 -1.591 1.00 0.00 C ATOM 521 CE2 TYR A 60 7.605 9.873 -2.317 1.00 0.00 C ATOM 522 CZ TYR A 60 6.351 9.365 -2.594 1.00 0.00 C ATOM 523 OH TYR A 60 6.038 8.974 -3.876 1.00 0.00 O ATOM 0 H TYR A 60 7.959 10.927 3.781 1.00 0.00 H new ATOM 0 HA TYR A 60 6.743 8.765 2.371 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.504 11.181 1.802 1.00 0.00 H new ATOM 0 HB3 TYR A 60 8.201 11.239 1.370 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.991 9.556 0.475 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.895 10.661 -0.814 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.430 8.851 -1.808 1.00 0.00 H new ATOM 0 HE2 TYR A 60 8.340 9.963 -3.103 1.00 0.00 H new ATOM 0 HH TYR A 60 6.810 9.122 -4.461 1.00 0.00 H new ATOM 533 N TRP A 61 9.996 9.010 2.338 1.00 0.00 N ATOM 534 CA TRP A 61 11.214 8.267 2.035 1.00 0.00 C ATOM 535 C TRP A 61 11.213 6.910 2.731 1.00 0.00 C ATOM 536 O TRP A 61 11.515 5.889 2.118 1.00 0.00 O ATOM 537 CB TRP A 61 12.447 9.071 2.449 1.00 0.00 C ATOM 538 CG TRP A 61 12.721 10.248 1.563 1.00 0.00 C ATOM 539 CD1 TRP A 61 12.545 11.562 1.877 1.00 0.00 C ATOM 540 CD2 TRP A 61 13.218 10.217 0.220 1.00 0.00 C ATOM 541 NE1 TRP A 61 12.901 12.354 0.813 1.00 0.00 N ATOM 542 CE2 TRP A 61 13.318 11.551 -0.218 1.00 0.00 C ATOM 543 CE3 TRP A 61 13.587 9.189 -0.656 1.00 0.00 C ATOM 544 CZ2 TRP A 61 13.769 11.884 -1.485 1.00 0.00 C ATOM 545 CZ3 TRP A 61 14.039 9.524 -1.927 1.00 0.00 C ATOM 546 CH2 TRP A 61 14.129 10.834 -2.330 1.00 0.00 C ATOM 0 H TRP A 61 10.138 9.830 2.928 1.00 0.00 H new ATOM 0 HA TRP A 61 11.248 8.100 0.958 1.00 0.00 H new ATOM 0 HB2 TRP A 61 12.315 9.421 3.473 1.00 0.00 H new ATOM 0 HB3 TRP A 61 13.317 8.414 2.446 1.00 0.00 H new ATOM 0 HD1 TRP A 61 12.179 11.928 2.825 1.00 0.00 H new ATOM 0 HE1 TRP A 61 12.862 13.373 0.793 1.00 0.00 H new ATOM 0 HE3 TRP A 61 13.522 8.155 -0.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.839 12.913 -1.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 14.325 8.739 -2.611 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.487 11.056 -3.324 1.00 0.00 H new ATOM 557 N GLN A 62 10.872 6.911 4.016 1.00 0.00 N ATOM 558 CA GLN A 62 10.819 5.676 4.790 1.00 0.00 C ATOM 559 C GLN A 62 9.735 4.745 4.257 1.00 0.00 C ATOM 560 O GLN A 62 9.874 3.522 4.306 1.00 0.00 O ATOM 561 CB GLN A 62 10.560 5.980 6.269 1.00 0.00 C ATOM 562 CG GLN A 62 11.725 6.649 6.980 1.00 0.00 C ATOM 563 CD GLN A 62 11.401 6.996 8.421 1.00 0.00 C ATOM 564 OE1 GLN A 62 10.280 6.779 8.890 1.00 0.00 O ATOM 565 NE2 GLN A 62 12.381 7.543 9.131 1.00 0.00 N ATOM 0 H GLN A 62 10.629 7.751 4.542 1.00 0.00 H new ATOM 0 HA GLN A 62 11.784 5.179 4.692 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.683 6.622 6.348 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.321 5.049 6.783 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.591 5.988 6.954 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.001 7.557 6.444 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.292 7.704 8.703 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.222 7.802 10.105 1.00 0.00 H new ATOM 574 N TRP A 63 8.656 5.330 3.751 1.00 0.00 N ATOM 575 CA TRP A 63 7.583 4.557 3.138 1.00 0.00 C ATOM 576 C TRP A 63 7.981 4.087 1.743 1.00 0.00 C ATOM 577 O TRP A 63 7.573 3.013 1.299 1.00 0.00 O ATOM 578 CB TRP A 63 6.302 5.389 3.062 1.00 0.00 C ATOM 579 CG TRP A 63 5.349 5.115 4.185 1.00 0.00 C ATOM 580 CD1 TRP A 63 5.235 5.815 5.354 1.00 0.00 C ATOM 581 CD2 TRP A 63 4.376 4.066 4.248 1.00 0.00 C ATOM 582 NE1 TRP A 63 4.251 5.264 6.138 1.00 0.00 N ATOM 583 CE2 TRP A 63 3.709 4.190 5.482 1.00 0.00 C ATOM 584 CE3 TRP A 63 4.004 3.034 3.382 1.00 0.00 C ATOM 585 CZ2 TRP A 63 2.691 3.321 5.867 1.00 0.00 C ATOM 586 CZ3 TRP A 63 2.996 2.173 3.768 1.00 0.00 C ATOM 587 CH2 TRP A 63 2.349 2.320 5.000 1.00 0.00 C ATOM 0 H TRP A 63 8.501 6.338 3.753 1.00 0.00 H new ATOM 0 HA TRP A 63 7.401 3.681 3.760 1.00 0.00 H new ATOM 0 HB2 TRP A 63 6.564 6.447 3.067 1.00 0.00 H new ATOM 0 HB3 TRP A 63 5.803 5.189 2.114 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.831 6.675 5.622 1.00 0.00 H new ATOM 0 HE1 TRP A 63 3.969 5.600 7.059 1.00 0.00 H new ATOM 0 HE3 TRP A 63 4.496 2.912 2.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 2.189 3.434 6.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 2.701 1.371 3.107 1.00 0.00 H new ATOM 0 HH2 TRP A 63 1.564 1.630 5.272 1.00 0.00 H new ATOM 598 N ALA A 64 8.780 4.895 1.055 1.00 0.00 N ATOM 599 CA ALA A 64 9.244 4.555 -0.284 1.00 0.00 C ATOM 600 C ALA A 64 10.224 3.386 -0.246 1.00 0.00 C ATOM 601 O ALA A 64 10.076 2.417 -0.991 1.00 0.00 O ATOM 602 CB ALA A 64 9.889 5.765 -0.942 1.00 0.00 C ATOM 0 H ALA A 64 9.120 5.791 1.404 1.00 0.00 H new ATOM 0 HA ALA A 64 8.380 4.251 -0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.231 5.496 -1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.160 6.572 -1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.739 6.094 -0.344 1.00 0.00 H new ATOM 608 N SER A 65 11.221 3.485 0.627 1.00 0.00 N ATOM 609 CA SER A 65 12.210 2.424 0.778 1.00 0.00 C ATOM 610 C SER A 65 11.584 1.181 1.401 1.00 0.00 C ATOM 611 O SER A 65 12.161 0.095 1.360 1.00 0.00 O ATOM 612 CB SER A 65 13.374 2.911 1.619 1.00 0.00 C ATOM 613 OG SER A 65 12.996 3.167 2.943 1.00 0.00 O ATOM 0 H SER A 65 11.365 4.288 1.240 1.00 0.00 H new ATOM 0 HA SER A 65 12.580 2.155 -0.212 1.00 0.00 H new ATOM 0 HB2 SER A 65 14.167 2.164 1.607 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.785 3.819 1.178 1.00 0.00 H new ATOM 0 HG SER A 65 12.505 4.014 2.985 1.00 0.00 H new ATOM 619 N ARG A 66 10.400 1.349 1.981 1.00 0.00 N ATOM 620 CA ARG A 66 9.726 0.257 2.671 1.00 0.00 C ATOM 621 C ARG A 66 8.897 -0.575 1.697 1.00 0.00 C ATOM 622 O ARG A 66 8.973 -1.805 1.692 1.00 0.00 O ATOM 623 CB ARG A 66 8.886 0.749 3.841 1.00 0.00 C ATOM 624 CG ARG A 66 8.092 -0.331 4.558 1.00 0.00 C ATOM 625 CD ARG A 66 8.925 -1.314 5.298 1.00 0.00 C ATOM 626 NE ARG A 66 9.673 -0.751 6.410 1.00 0.00 N ATOM 627 CZ ARG A 66 10.602 -1.419 7.123 1.00 0.00 C ATOM 628 NH1 ARG A 66 10.874 -2.680 6.868 1.00 0.00 N ATOM 629 NH2 ARG A 66 11.218 -0.778 8.102 1.00 0.00 N ATOM 0 H ARG A 66 9.888 2.231 1.986 1.00 0.00 H new ATOM 0 HA ARG A 66 10.499 -0.387 3.090 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.543 1.235 4.562 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.193 1.508 3.478 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.404 0.144 5.258 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.485 -0.865 3.827 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.280 -2.108 5.675 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.625 -1.776 4.602 1.00 0.00 H new ATOM 0 HE ARG A 66 9.482 0.217 6.669 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.379 -3.168 6.121 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.580 -3.171 7.417 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.985 0.195 8.300 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.926 -1.257 8.659 1.00 0.00 H new ATOM 643 N THR A 67 8.105 0.103 0.871 1.00 0.00 N ATOM 644 CA THR A 67 7.153 -0.571 -0.001 1.00 0.00 C ATOM 645 C THR A 67 7.792 -0.939 -1.335 1.00 0.00 C ATOM 646 O THR A 67 7.100 -1.284 -2.292 1.00 0.00 O ATOM 647 CB THR A 67 5.909 0.299 -0.259 1.00 0.00 C ATOM 648 OG1 THR A 67 6.309 1.545 -0.847 1.00 0.00 O ATOM 649 CG2 THR A 67 5.168 0.571 1.039 1.00 0.00 C ATOM 0 H THR A 67 8.105 1.120 0.789 1.00 0.00 H new ATOM 0 HA THR A 67 6.846 -1.482 0.513 1.00 0.00 H new ATOM 0 HB THR A 67 5.245 -0.236 -0.938 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.613 2.218 -0.693 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.292 1.187 0.836 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.852 -0.373 1.482 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.827 1.095 1.731 1.00 0.00 H new ATOM 657 N ASN A 68 9.118 -0.861 -1.391 1.00 0.00 N ATOM 658 CA ASN A 68 9.843 -1.082 -2.637 1.00 0.00 C ATOM 659 C ASN A 68 9.351 -0.136 -3.728 1.00 0.00 C ATOM 660 O ASN A 68 8.869 -0.573 -4.773 1.00 0.00 O ATOM 661 CB ASN A 68 9.733 -2.523 -3.100 1.00 0.00 C ATOM 662 CG ASN A 68 10.721 -2.894 -4.170 1.00 0.00 C ATOM 663 OD1 ASN A 68 11.783 -2.275 -4.304 1.00 0.00 O ATOM 664 ND2 ASN A 68 10.343 -3.847 -4.982 1.00 0.00 N ATOM 0 H ASN A 68 9.711 -0.647 -0.589 1.00 0.00 H new ATOM 0 HA ASN A 68 10.895 -0.872 -2.441 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.875 -3.182 -2.243 1.00 0.00 H new ATOM 0 HB3 ASN A 68 8.724 -2.699 -3.473 1.00 0.00 H new ATOM 0 HD21 ASN A 68 10.935 -4.110 -5.770 1.00 0.00 H new ATOM 0 HD22 ASN A 68 9.456 -4.327 -4.827 1.00 0.00 H new ATOM 671 N ASN A 69 9.473 1.163 -3.478 1.00 0.00 N ATOM 672 CA ASN A 69 9.030 2.172 -4.433 1.00 0.00 C ATOM 673 C ASN A 69 7.522 2.098 -4.642 1.00 0.00 C ATOM 674 O ASN A 69 7.022 2.340 -5.741 1.00 0.00 O ATOM 675 CB ASN A 69 9.753 2.037 -5.760 1.00 0.00 C ATOM 676 CG ASN A 69 9.739 3.293 -6.588 1.00 0.00 C ATOM 677 OD1 ASN A 69 9.677 4.409 -6.059 1.00 0.00 O ATOM 678 ND2 ASN A 69 9.714 3.115 -7.885 1.00 0.00 N ATOM 0 H ASN A 69 9.876 1.542 -2.621 1.00 0.00 H new ATOM 0 HA ASN A 69 9.276 3.147 -4.013 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.787 1.748 -5.572 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.295 1.230 -6.332 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.640 3.919 -8.509 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.768 2.173 -8.272 1.00 0.00 H new ATOM 685 N PHE A 70 6.798 1.760 -3.580 1.00 0.00 N ATOM 686 CA PHE A 70 5.348 1.625 -3.651 1.00 0.00 C ATOM 687 C PHE A 70 4.943 0.731 -4.820 1.00 0.00 C ATOM 688 O PHE A 70 3.960 0.999 -5.510 1.00 0.00 O ATOM 689 CB PHE A 70 4.688 2.999 -3.784 1.00 0.00 C ATOM 690 CG PHE A 70 5.010 3.936 -2.655 1.00 0.00 C ATOM 691 CD1 PHE A 70 4.337 3.846 -1.446 1.00 0.00 C ATOM 692 CD2 PHE A 70 5.987 4.910 -2.801 1.00 0.00 C ATOM 693 CE1 PHE A 70 4.631 4.707 -0.406 1.00 0.00 C ATOM 694 CE2 PHE A 70 6.283 5.773 -1.762 1.00 0.00 C ATOM 695 CZ PHE A 70 5.605 5.672 -0.565 1.00 0.00 C ATOM 0 H PHE A 70 7.193 1.574 -2.658 1.00 0.00 H new ATOM 0 HA PHE A 70 5.006 1.160 -2.727 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.003 3.454 -4.723 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.607 2.869 -3.840 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.573 3.093 -1.316 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.522 4.995 -3.735 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.099 4.625 0.530 1.00 0.00 H new ATOM 0 HE2 PHE A 70 7.046 6.527 -1.888 1.00 0.00 H new ATOM 0 HZ PHE A 70 5.836 6.347 0.246 1.00 0.00 H new ATOM 705 N LYS A 71 5.708 -0.335 -5.033 1.00 0.00 N ATOM 706 CA LYS A 71 5.410 -1.291 -6.094 1.00 0.00 C ATOM 707 C LYS A 71 4.315 -2.261 -5.659 1.00 0.00 C ATOM 708 O LYS A 71 4.599 -3.348 -5.153 1.00 0.00 O ATOM 709 CB LYS A 71 6.671 -2.069 -6.478 1.00 0.00 C ATOM 710 CG LYS A 71 6.400 -3.258 -7.382 1.00 0.00 C ATOM 711 CD LYS A 71 5.624 -2.850 -8.623 1.00 0.00 C ATOM 712 CE LYS A 71 6.391 -1.833 -9.452 1.00 0.00 C ATOM 713 NZ LYS A 71 7.683 -2.384 -9.949 1.00 0.00 N ATOM 0 H LYS A 71 6.539 -0.559 -4.485 1.00 0.00 H new ATOM 0 HA LYS A 71 5.056 -0.734 -6.962 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.366 -1.394 -6.978 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.163 -2.418 -5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.345 -3.715 -7.677 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.838 -4.013 -6.833 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.416 -3.732 -9.229 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.662 -2.430 -8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.780 -1.520 -10.299 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.582 -0.944 -8.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.771 -2.196 -10.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.471 -1.931 -9.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.710 -3.410 -9.783 1.00 0.00 H new ATOM 727 N LEU A 72 3.064 -1.862 -5.861 1.00 0.00 N ATOM 728 CA LEU A 72 1.926 -2.659 -5.416 1.00 0.00 C ATOM 729 C LEU A 72 1.021 -3.016 -6.590 1.00 0.00 C ATOM 730 O LEU A 72 0.892 -2.249 -7.545 1.00 0.00 O ATOM 731 CB LEU A 72 1.130 -1.899 -4.355 1.00 0.00 C ATOM 732 CG LEU A 72 1.953 -1.131 -3.320 1.00 0.00 C ATOM 733 CD1 LEU A 72 1.050 -0.262 -2.458 1.00 0.00 C ATOM 734 CD2 LEU A 72 2.754 -2.092 -2.456 1.00 0.00 C ATOM 0 H LEU A 72 2.812 -0.992 -6.330 1.00 0.00 H new ATOM 0 HA LEU A 72 2.307 -3.583 -4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.470 -1.194 -4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.494 -2.610 -3.828 1.00 0.00 H new ATOM 0 HG LEU A 72 2.651 -0.482 -3.848 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.653 0.277 -1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.521 0.452 -3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.327 -0.891 -1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.333 -1.528 -1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.074 -2.767 -1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.429 -2.671 -3.086 1.00 0.00 H new ATOM 746 N LEU A 73 0.391 -4.184 -6.511 1.00 0.00 N ATOM 747 CA LEU A 73 -0.473 -4.662 -7.586 1.00 0.00 C ATOM 748 C LEU A 73 -1.784 -5.207 -7.028 1.00 0.00 C ATOM 749 O LEU A 73 -1.819 -5.776 -5.937 1.00 0.00 O ATOM 750 CB LEU A 73 0.238 -5.746 -8.396 1.00 0.00 C ATOM 751 CG LEU A 73 1.766 -5.661 -8.434 1.00 0.00 C ATOM 752 CD1 LEU A 73 2.372 -6.410 -7.258 1.00 0.00 C ATOM 753 CD2 LEU A 73 2.297 -6.210 -9.752 1.00 0.00 C ATOM 0 H LEU A 73 0.462 -4.817 -5.714 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.699 -3.819 -8.239 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.042 -6.718 -7.990 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.134 -5.709 -9.420 1.00 0.00 H new ATOM 0 HG LEU A 73 2.055 -4.613 -8.357 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.459 -6.338 -7.302 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.017 -5.971 -6.325 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.075 -7.458 -7.302 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.385 -6.142 -9.763 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.997 -7.253 -9.859 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.889 -5.629 -10.579 1.00 0.00 H new ATOM 765 N THR A 74 -2.863 -5.028 -7.785 1.00 0.00 N ATOM 766 CA THR A 74 -4.161 -5.570 -7.403 1.00 0.00 C ATOM 767 C THR A 74 -5.177 -5.405 -8.528 1.00 0.00 C ATOM 768 O THR A 74 -5.037 -4.526 -9.380 1.00 0.00 O ATOM 769 CB THR A 74 -4.703 -4.894 -6.131 1.00 0.00 C ATOM 770 OG1 THR A 74 -5.924 -5.532 -5.730 1.00 0.00 O ATOM 771 CG2 THR A 74 -4.968 -3.417 -6.382 1.00 0.00 C ATOM 0 H THR A 74 -2.863 -4.512 -8.665 1.00 0.00 H new ATOM 0 HA THR A 74 -4.013 -6.631 -7.203 1.00 0.00 H new ATOM 0 HB THR A 74 -3.957 -4.990 -5.342 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.223 -5.158 -4.875 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.351 -2.956 -5.471 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.040 -2.926 -6.675 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.703 -3.310 -7.180 1.00 0.00 H new ATOM 779 N ASP A 75 -6.200 -6.251 -8.524 1.00 0.00 N ATOM 780 CA ASP A 75 -7.428 -5.972 -9.261 1.00 0.00 C ATOM 781 C ASP A 75 -8.645 -6.491 -8.504 1.00 0.00 C ATOM 782 O ASP A 75 -8.802 -7.695 -8.310 1.00 0.00 O ATOM 783 CB ASP A 75 -7.370 -6.594 -10.659 1.00 0.00 C ATOM 784 CG ASP A 75 -8.577 -6.283 -11.535 1.00 0.00 C ATOM 785 OD1 ASP A 75 -9.511 -5.699 -11.040 1.00 0.00 O ATOM 786 OD2 ASP A 75 -8.491 -6.488 -12.723 1.00 0.00 O ATOM 0 H ASP A 75 -6.204 -7.137 -8.018 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.521 -4.891 -9.363 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -6.470 -6.242 -11.163 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.278 -7.675 -10.559 1.00 0.00 H new ATOM 791 N GLY A 76 -9.506 -5.571 -8.078 1.00 0.00 N ATOM 792 CA GLY A 76 -10.672 -5.949 -7.300 1.00 0.00 C ATOM 793 C GLY A 76 -10.320 -6.834 -6.120 1.00 0.00 C ATOM 794 O GLY A 76 -11.172 -7.550 -5.598 1.00 0.00 O ATOM 0 H GLY A 76 -9.417 -4.571 -8.258 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.171 -5.050 -6.939 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.380 -6.471 -7.943 1.00 0.00 H new ATOM 798 N GLU A 77 -9.059 -6.784 -5.700 1.00 0.00 N ATOM 799 CA GLU A 77 -8.564 -7.678 -4.660 1.00 0.00 C ATOM 800 C GLU A 77 -7.642 -6.935 -3.697 1.00 0.00 C ATOM 801 O GLU A 77 -7.463 -5.722 -3.805 1.00 0.00 O ATOM 802 CB GLU A 77 -7.833 -8.870 -5.279 1.00 0.00 C ATOM 803 CG GLU A 77 -8.723 -9.806 -6.083 1.00 0.00 C ATOM 804 CD GLU A 77 -7.932 -10.937 -6.679 1.00 0.00 C ATOM 805 OE1 GLU A 77 -6.748 -10.995 -6.446 1.00 0.00 O ATOM 806 OE2 GLU A 77 -8.528 -11.805 -7.272 1.00 0.00 O ATOM 0 H GLU A 77 -8.362 -6.134 -6.064 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.421 -8.048 -4.098 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.040 -8.497 -5.927 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.353 -9.439 -4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.507 -10.207 -5.440 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.217 -9.247 -6.878 1.00 0.00 H new ATOM 813 N TRP A 78 -7.061 -7.672 -2.758 1.00 0.00 N ATOM 814 CA TRP A 78 -6.150 -7.085 -1.782 1.00 0.00 C ATOM 815 C TRP A 78 -4.885 -6.567 -2.460 1.00 0.00 C ATOM 816 O TRP A 78 -4.452 -7.105 -3.478 1.00 0.00 O ATOM 817 CB TRP A 78 -5.784 -8.114 -0.710 1.00 0.00 C ATOM 818 CG TRP A 78 -4.863 -9.187 -1.207 1.00 0.00 C ATOM 819 CD1 TRP A 78 -4.904 -9.802 -2.426 1.00 0.00 C ATOM 820 CD2 TRP A 78 -3.765 -9.770 -0.497 1.00 0.00 C ATOM 821 NE1 TRP A 78 -3.897 -10.735 -2.516 1.00 0.00 N ATOM 822 CE2 TRP A 78 -3.184 -10.732 -1.345 1.00 0.00 C ATOM 823 CE3 TRP A 78 -3.217 -9.572 0.773 1.00 0.00 C ATOM 824 CZ2 TRP A 78 -2.083 -11.494 -0.962 1.00 0.00 C ATOM 825 CZ3 TRP A 78 -2.123 -10.328 1.152 1.00 0.00 C ATOM 826 CH2 TRP A 78 -1.567 -11.279 0.287 1.00 0.00 C ATOM 0 H TRP A 78 -7.204 -8.676 -2.651 1.00 0.00 H new ATOM 0 HA TRP A 78 -6.657 -6.244 -1.310 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.314 -7.602 0.130 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -6.697 -8.575 -0.332 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -5.621 -9.587 -3.204 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -3.711 -11.332 -3.322 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -3.640 -8.842 1.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -1.652 -12.228 -1.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -1.690 -10.183 2.131 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -0.713 -11.855 0.613 1.00 0.00 H new ATOM 837 N VAL A 79 -4.298 -5.522 -1.887 1.00 0.00 N ATOM 838 CA VAL A 79 -3.020 -5.007 -2.364 1.00 0.00 C ATOM 839 C VAL A 79 -1.857 -5.643 -1.614 1.00 0.00 C ATOM 840 O VAL A 79 -1.845 -5.680 -0.383 1.00 0.00 O ATOM 841 CB VAL A 79 -2.937 -3.476 -2.217 1.00 0.00 C ATOM 842 CG1 VAL A 79 -1.572 -2.972 -2.664 1.00 0.00 C ATOM 843 CG2 VAL A 79 -4.041 -2.804 -3.020 1.00 0.00 C ATOM 0 H VAL A 79 -4.687 -5.015 -1.092 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.952 -5.265 -3.421 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.072 -3.222 -1.166 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.530 -1.888 -2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.796 -3.429 -2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.411 -3.237 -3.709 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.968 -1.723 -2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.935 -3.065 -4.073 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.012 -3.142 -2.658 1.00 0.00 H new ATOM 853 N TRP A 80 -0.880 -6.144 -2.362 1.00 0.00 N ATOM 854 CA TRP A 80 0.339 -6.683 -1.767 1.00 0.00 C ATOM 855 C TRP A 80 1.577 -6.087 -2.428 1.00 0.00 C ATOM 856 O TRP A 80 1.479 -5.384 -3.435 1.00 0.00 O ATOM 857 CB TRP A 80 0.361 -8.209 -1.885 1.00 0.00 C ATOM 858 CG TRP A 80 0.459 -8.698 -3.299 1.00 0.00 C ATOM 859 CD1 TRP A 80 1.601 -9.012 -3.974 1.00 0.00 C ATOM 860 CD2 TRP A 80 -0.623 -8.931 -4.207 1.00 0.00 C ATOM 861 NE1 TRP A 80 1.298 -9.424 -5.248 1.00 0.00 N ATOM 862 CE2 TRP A 80 -0.063 -9.384 -5.415 1.00 0.00 C ATOM 863 CE3 TRP A 80 -2.014 -8.799 -4.115 1.00 0.00 C ATOM 864 CZ2 TRP A 80 -0.837 -9.704 -6.519 1.00 0.00 C ATOM 865 CZ3 TRP A 80 -2.791 -9.121 -5.222 1.00 0.00 C ATOM 866 CH2 TRP A 80 -2.220 -9.561 -6.389 1.00 0.00 C ATOM 0 H TRP A 80 -0.908 -6.188 -3.381 1.00 0.00 H new ATOM 0 HA TRP A 80 0.349 -6.411 -0.712 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.205 -8.597 -1.315 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -0.543 -8.614 -1.431 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.599 -8.946 -3.566 1.00 0.00 H new ATOM 0 HE1 TRP A 80 1.974 -9.713 -5.955 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -2.475 -8.454 -3.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.390 -10.049 -7.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -3.865 -9.023 -5.162 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.856 -9.803 -7.228 1.00 0.00 H new ATOM 877 N VAL A 81 2.742 -6.374 -1.857 1.00 0.00 N ATOM 878 CA VAL A 81 4.000 -5.867 -2.390 1.00 0.00 C ATOM 879 C VAL A 81 4.633 -6.865 -3.354 1.00 0.00 C ATOM 880 O VAL A 81 4.831 -8.031 -3.013 1.00 0.00 O ATOM 881 CB VAL A 81 5.003 -5.548 -1.265 1.00 0.00 C ATOM 882 CG1 VAL A 81 6.312 -5.036 -1.847 1.00 0.00 C ATOM 883 CG2 VAL A 81 4.416 -4.530 -0.300 1.00 0.00 C ATOM 0 H VAL A 81 2.841 -6.955 -1.025 1.00 0.00 H new ATOM 0 HA VAL A 81 3.765 -4.948 -2.926 1.00 0.00 H new ATOM 0 HB VAL A 81 5.206 -6.467 -0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.008 -4.816 -1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.742 -5.796 -2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.125 -4.129 -2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.138 -4.317 0.488 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.184 -3.611 -0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.504 -4.932 0.143 1.00 0.00 H new ATOM 893 N GLU A 82 4.947 -6.400 -4.559 1.00 0.00 N ATOM 894 CA GLU A 82 5.529 -7.261 -5.581 1.00 0.00 C ATOM 895 C GLU A 82 6.821 -7.902 -5.082 1.00 0.00 C ATOM 896 O GLU A 82 7.661 -7.240 -4.475 1.00 0.00 O ATOM 897 CB GLU A 82 5.792 -6.470 -6.864 1.00 0.00 C ATOM 898 CG GLU A 82 6.320 -7.305 -8.022 1.00 0.00 C ATOM 899 CD GLU A 82 6.524 -6.466 -9.252 1.00 0.00 C ATOM 900 OE1 GLU A 82 7.300 -5.543 -9.196 1.00 0.00 O ATOM 901 OE2 GLU A 82 5.992 -6.815 -10.280 1.00 0.00 O ATOM 0 H GLU A 82 4.808 -5.433 -4.851 1.00 0.00 H new ATOM 0 HA GLU A 82 4.815 -8.055 -5.800 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.866 -5.986 -7.174 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.509 -5.678 -6.647 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.263 -7.771 -7.737 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.620 -8.111 -8.241 1.00 0.00 H new ATOM 908 N GLY A 83 6.973 -9.196 -5.343 1.00 0.00 N ATOM 909 CA GLY A 83 8.219 -9.874 -5.038 1.00 0.00 C ATOM 910 C GLY A 83 8.238 -10.448 -3.635 1.00 0.00 C ATOM 911 O GLY A 83 8.979 -11.389 -3.352 1.00 0.00 O ATOM 0 H GLY A 83 6.255 -9.788 -5.761 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.378 -10.677 -5.758 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.047 -9.175 -5.152 1.00 0.00 H new ATOM 915 N TYR A 84 7.424 -9.879 -2.754 1.00 0.00 N ATOM 916 CA TYR A 84 7.457 -10.236 -1.340 1.00 0.00 C ATOM 917 C TYR A 84 6.359 -11.243 -1.008 1.00 0.00 C ATOM 918 O TYR A 84 5.800 -11.227 0.089 1.00 0.00 O ATOM 919 CB TYR A 84 7.310 -8.988 -0.468 1.00 0.00 C ATOM 920 CG TYR A 84 8.496 -8.051 -0.533 1.00 0.00 C ATOM 921 CD1 TYR A 84 9.699 -8.463 -1.086 1.00 0.00 C ATOM 922 CD2 TYR A 84 8.407 -6.757 -0.043 1.00 0.00 C ATOM 923 CE1 TYR A 84 10.786 -7.612 -1.149 1.00 0.00 C ATOM 924 CE2 TYR A 84 9.487 -5.897 -0.101 1.00 0.00 C ATOM 925 CZ TYR A 84 10.675 -6.328 -0.654 1.00 0.00 C ATOM 926 OH TYR A 84 11.753 -5.475 -0.714 1.00 0.00 O ATOM 0 H TYR A 84 6.733 -9.168 -2.993 1.00 0.00 H new ATOM 0 HA TYR A 84 8.422 -10.698 -1.131 1.00 0.00 H new ATOM 0 HB2 TYR A 84 6.415 -8.447 -0.774 1.00 0.00 H new ATOM 0 HB3 TYR A 84 7.159 -9.296 0.567 1.00 0.00 H new ATOM 0 HD1 TYR A 84 9.788 -9.467 -1.474 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.479 -6.416 0.391 1.00 0.00 H new ATOM 0 HE1 TYR A 84 11.716 -7.949 -1.582 1.00 0.00 H new ATOM 0 HE2 TYR A 84 9.401 -4.892 0.285 1.00 0.00 H new ATOM 0 HH TYR A 84 11.508 -4.610 -0.324 1.00 0.00 H new ATOM 936 N GLU A 85 6.058 -12.118 -1.962 1.00 0.00 N ATOM 937 CA GLU A 85 5.125 -13.212 -1.727 1.00 0.00 C ATOM 938 C GLU A 85 5.654 -14.158 -0.653 1.00 0.00 C ATOM 939 O GLU A 85 4.885 -14.845 0.017 1.00 0.00 O ATOM 940 CB GLU A 85 4.860 -13.979 -3.024 1.00 0.00 C ATOM 941 CG GLU A 85 4.045 -13.212 -4.055 1.00 0.00 C ATOM 942 CD GLU A 85 3.909 -13.990 -5.334 1.00 0.00 C ATOM 943 OE1 GLU A 85 4.482 -15.049 -5.427 1.00 0.00 O ATOM 944 OE2 GLU A 85 3.142 -13.582 -6.175 1.00 0.00 O ATOM 0 H GLU A 85 6.447 -12.090 -2.905 1.00 0.00 H new ATOM 0 HA GLU A 85 4.186 -12.785 -1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.816 -14.257 -3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.339 -14.906 -2.783 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.056 -12.996 -3.652 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.522 -12.254 -4.259 1.00 0.00 H new ATOM 951 N GLU A 86 6.974 -14.187 -0.497 1.00 0.00 N ATOM 952 CA GLU A 86 7.599 -14.935 0.588 1.00 0.00 C ATOM 953 C GLU A 86 7.347 -14.257 1.931 1.00 0.00 C ATOM 954 O GLU A 86 7.552 -14.854 2.988 1.00 0.00 O ATOM 955 CB GLU A 86 9.102 -15.082 0.343 1.00 0.00 C ATOM 956 CG GLU A 86 9.838 -13.764 0.144 1.00 0.00 C ATOM 957 CD GLU A 86 9.966 -13.424 -1.315 1.00 0.00 C ATOM 958 OE1 GLU A 86 8.976 -13.473 -2.006 1.00 0.00 O ATOM 959 OE2 GLU A 86 11.027 -13.009 -1.717 1.00 0.00 O ATOM 0 H GLU A 86 7.631 -13.701 -1.108 1.00 0.00 H new ATOM 0 HA GLU A 86 7.151 -15.928 0.615 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.546 -15.608 1.188 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.255 -15.706 -0.537 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.305 -12.966 0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.829 -13.827 0.593 1.00 0.00 H new ATOM 966 N HIS A 87 6.900 -13.006 1.882 1.00 0.00 N ATOM 967 CA HIS A 87 6.600 -12.253 3.095 1.00 0.00 C ATOM 968 C HIS A 87 5.101 -12.255 3.378 1.00 0.00 C ATOM 969 O HIS A 87 4.596 -11.396 4.103 1.00 0.00 O ATOM 970 CB HIS A 87 7.112 -10.814 2.981 1.00 0.00 C ATOM 971 CG HIS A 87 8.598 -10.715 2.821 1.00 0.00 C ATOM 972 ND1 HIS A 87 9.228 -9.551 2.434 1.00 0.00 N ATOM 973 CD2 HIS A 87 9.576 -11.634 2.992 1.00 0.00 C ATOM 974 CE1 HIS A 87 10.532 -9.759 2.376 1.00 0.00 C ATOM 975 NE2 HIS A 87 10.769 -11.015 2.710 1.00 0.00 N ATOM 0 H HIS A 87 6.738 -12.492 1.016 1.00 0.00 H new ATOM 0 HA HIS A 87 7.111 -12.740 3.926 1.00 0.00 H new ATOM 0 HB2 HIS A 87 6.631 -10.333 2.129 1.00 0.00 H new ATOM 0 HB3 HIS A 87 6.813 -10.260 3.871 1.00 0.00 H new ATOM 0 HD2 HIS A 87 9.443 -12.662 3.294 1.00 0.00 H new ATOM 0 HE1 HIS A 87 11.277 -9.027 2.102 1.00 0.00 H new ATOM 0 HE2 HIS A 87 11.689 -11.454 2.752 1.00 0.00 H new ATOM 983 N ILE A 88 4.396 -13.223 2.802 1.00 0.00 N ATOM 984 CA ILE A 88 2.959 -13.350 3.012 1.00 0.00 C ATOM 985 C ILE A 88 2.640 -14.521 3.935 1.00 0.00 C ATOM 986 O ILE A 88 3.291 -15.564 3.879 1.00 0.00 O ATOM 987 CB ILE A 88 2.209 -13.535 1.682 1.00 0.00 C ATOM 988 CG1 ILE A 88 2.351 -12.285 0.809 1.00 0.00 C ATOM 989 CG2 ILE A 88 0.742 -13.845 1.937 1.00 0.00 C ATOM 990 CD1 ILE A 88 1.826 -12.459 -0.597 1.00 0.00 C ATOM 0 H ILE A 88 4.797 -13.931 2.186 1.00 0.00 H new ATOM 0 HA ILE A 88 2.625 -12.423 3.479 1.00 0.00 H new ATOM 0 HB ILE A 88 2.651 -14.378 1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.822 -11.459 1.285 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.403 -12.004 0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.226 -13.973 0.985 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.660 -14.762 2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.287 -13.022 2.489 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.962 -11.532 -1.153 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.371 -13.262 -1.092 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.766 -12.709 -0.561 1.00 0.00 H new ATOM 1002 N GLY A 89 1.631 -14.343 4.783 1.00 0.00 N ATOM 1003 CA GLY A 89 1.235 -15.396 5.699 1.00 0.00 C ATOM 1004 C GLY A 89 2.210 -15.562 6.847 1.00 0.00 C ATOM 1005 O GLY A 89 2.233 -16.602 7.508 1.00 0.00 O ATOM 0 H GLY A 89 1.081 -13.487 4.851 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.245 -15.174 6.097 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.156 -16.337 5.154 1.00 0.00 H new ATOM 1009 N LYS A 90 3.019 -14.537 7.088 1.00 0.00 N ATOM 1010 CA LYS A 90 3.949 -14.541 8.212 1.00 0.00 C ATOM 1011 C LYS A 90 3.226 -14.222 9.516 1.00 0.00 C ATOM 1012 O LYS A 90 2.029 -13.938 9.519 1.00 0.00 O ATOM 1013 CB LYS A 90 5.081 -13.539 7.977 1.00 0.00 C ATOM 1014 CG LYS A 90 5.999 -13.889 6.813 1.00 0.00 C ATOM 1015 CD LYS A 90 7.038 -12.802 6.582 1.00 0.00 C ATOM 1016 CE LYS A 90 8.011 -12.707 7.749 1.00 0.00 C ATOM 1017 NZ LYS A 90 9.036 -11.650 7.535 1.00 0.00 N ATOM 0 H LYS A 90 3.050 -13.691 6.519 1.00 0.00 H new ATOM 0 HA LYS A 90 4.377 -15.540 8.291 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.648 -12.555 7.799 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.679 -13.465 8.886 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.499 -14.836 7.014 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.407 -14.027 5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.588 -13.011 5.664 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.539 -11.843 6.443 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.459 -12.497 8.665 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.505 -13.668 7.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.678 -11.619 8.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.580 -11.863 6.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.567 -10.728 7.428 1.00 0.00 H new ATOM 1031 N GLN A 91 3.963 -14.268 10.622 1.00 0.00 N ATOM 1032 CA GLN A 91 3.386 -14.000 11.934 1.00 0.00 C ATOM 1033 C GLN A 91 3.913 -12.684 12.500 1.00 0.00 C ATOM 1034 O GLN A 91 4.398 -12.631 13.631 1.00 0.00 O ATOM 1035 CB GLN A 91 3.700 -15.143 12.903 1.00 0.00 C ATOM 1036 CG GLN A 91 3.142 -16.490 12.476 1.00 0.00 C ATOM 1037 CD GLN A 91 3.603 -17.620 13.377 1.00 0.00 C ATOM 1038 OE1 GLN A 91 4.439 -17.424 14.264 1.00 0.00 O ATOM 1039 NE2 GLN A 91 3.062 -18.812 13.152 1.00 0.00 N ATOM 0 H GLN A 91 4.959 -14.488 10.635 1.00 0.00 H new ATOM 0 HA GLN A 91 2.305 -13.922 11.815 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.781 -15.227 13.010 1.00 0.00 H new ATOM 0 HB3 GLN A 91 3.301 -14.892 13.886 1.00 0.00 H new ATOM 0 HG2 GLN A 91 2.053 -16.447 12.481 1.00 0.00 H new ATOM 0 HG3 GLN A 91 3.448 -16.698 11.451 1.00 0.00 H new ATOM 0 HE21 GLN A 91 2.374 -18.928 12.408 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.334 -19.612 13.724 1.00 0.00 H new ATOM 1048 N LEU A 92 3.815 -11.624 11.706 1.00 0.00 N ATOM 1049 CA LEU A 92 4.314 -10.315 12.112 1.00 0.00 C ATOM 1050 C LEU A 92 3.162 -9.364 12.420 1.00 0.00 C ATOM 1051 O LEU A 92 2.031 -9.554 11.972 1.00 0.00 O ATOM 1052 CB LEU A 92 5.200 -9.722 11.015 1.00 0.00 C ATOM 1053 CG LEU A 92 4.591 -9.672 9.614 1.00 0.00 C ATOM 1054 CD1 LEU A 92 3.995 -8.299 9.338 1.00 0.00 C ATOM 1055 CD2 LEU A 92 5.637 -10.022 8.565 1.00 0.00 C ATOM 0 H LEU A 92 3.394 -11.645 10.777 1.00 0.00 H new ATOM 0 HA LEU A 92 4.906 -10.445 13.018 1.00 0.00 H new ATOM 0 HB2 LEU A 92 5.475 -8.708 11.306 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.122 -10.301 10.968 1.00 0.00 H new ATOM 0 HG LEU A 92 3.790 -10.410 9.561 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.566 -8.283 8.336 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.215 -8.087 10.070 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.776 -7.542 9.411 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.186 -9.981 7.574 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.459 -9.309 8.619 1.00 0.00 H new ATOM 0 HD23 LEU A 92 6.016 -11.027 8.750 1.00 0.00 H new ATOM 1067 N PRO A 93 3.454 -8.313 13.202 1.00 0.00 N ATOM 1068 CA PRO A 93 2.474 -7.273 13.529 1.00 0.00 C ATOM 1069 C PRO A 93 2.155 -6.381 12.334 1.00 0.00 C ATOM 1070 O PRO A 93 2.761 -6.512 11.270 1.00 0.00 O ATOM 1071 CB PRO A 93 3.166 -6.467 14.630 1.00 0.00 C ATOM 1072 CG PRO A 93 4.622 -6.658 14.379 1.00 0.00 C ATOM 1073 CD PRO A 93 4.774 -8.059 13.857 1.00 0.00 C ATOM 0 HA PRO A 93 1.516 -7.696 13.831 1.00 0.00 H new ATOM 0 HB2 PRO A 93 2.891 -5.413 14.582 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.884 -6.826 15.620 1.00 0.00 H new ATOM 0 HG2 PRO A 93 4.992 -5.931 13.656 1.00 0.00 H new ATOM 0 HG3 PRO A 93 5.197 -6.519 15.294 1.00 0.00 H new ATOM 0 HD2 PRO A 93 5.599 -8.140 13.149 1.00 0.00 H new ATOM 0 HD3 PRO A 93 4.971 -8.770 14.659 1.00 0.00 H new ATOM 1081 N LEU A 94 1.202 -5.475 12.517 1.00 0.00 N ATOM 1082 CA LEU A 94 0.823 -4.540 11.462 1.00 0.00 C ATOM 1083 C LEU A 94 1.930 -3.517 11.219 1.00 0.00 C ATOM 1084 O LEU A 94 2.004 -2.911 10.151 1.00 0.00 O ATOM 1085 CB LEU A 94 -0.489 -3.833 11.823 1.00 0.00 C ATOM 1086 CG LEU A 94 -1.727 -4.737 11.866 1.00 0.00 C ATOM 1087 CD1 LEU A 94 -2.932 -3.949 12.360 1.00 0.00 C ATOM 1088 CD2 LEU A 94 -1.986 -5.310 10.481 1.00 0.00 C ATOM 0 H LEU A 94 0.677 -5.367 13.385 1.00 0.00 H new ATOM 0 HA LEU A 94 0.674 -5.105 10.542 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.371 -3.358 12.797 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.665 -3.037 11.100 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.553 -5.561 12.558 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.806 -4.600 12.387 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.732 -3.568 13.362 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.122 -3.114 11.686 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.866 -5.953 10.512 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.156 -4.496 9.776 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.122 -5.893 10.161 1.00 0.00 H new ATOM 1100 N ASN A 95 2.790 -3.333 12.216 1.00 0.00 N ATOM 1101 CA ASN A 95 3.915 -2.415 12.096 1.00 0.00 C ATOM 1102 C ASN A 95 4.756 -2.743 10.865 1.00 0.00 C ATOM 1103 O ASN A 95 5.356 -1.856 10.258 1.00 0.00 O ATOM 1104 CB ASN A 95 4.779 -2.426 13.343 1.00 0.00 C ATOM 1105 CG ASN A 95 4.150 -1.736 14.523 1.00 0.00 C ATOM 1106 OD1 ASN A 95 3.207 -0.949 14.375 1.00 0.00 O ATOM 1107 ND2 ASN A 95 4.717 -1.964 15.679 1.00 0.00 N ATOM 0 H ASN A 95 2.728 -3.808 13.116 1.00 0.00 H new ATOM 0 HA ASN A 95 3.505 -1.412 11.981 1.00 0.00 H new ATOM 0 HB2 ASN A 95 4.999 -3.459 13.613 1.00 0.00 H new ATOM 0 HB3 ASN A 95 5.731 -1.946 13.118 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.384 -1.482 16.514 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.492 -2.624 15.746 1.00 0.00 H new ATOM 1114 N GLN A 96 4.790 -4.020 10.503 1.00 0.00 N ATOM 1115 CA GLN A 96 5.568 -4.468 9.353 1.00 0.00 C ATOM 1116 C GLN A 96 4.692 -5.229 8.365 1.00 0.00 C ATOM 1117 O GLN A 96 5.163 -6.124 7.664 1.00 0.00 O ATOM 1118 CB GLN A 96 6.732 -5.354 9.804 1.00 0.00 C ATOM 1119 CG GLN A 96 7.756 -4.642 10.674 1.00 0.00 C ATOM 1120 CD GLN A 96 8.951 -5.520 10.997 1.00 0.00 C ATOM 1121 OE1 GLN A 96 8.868 -6.422 11.836 1.00 0.00 O ATOM 1122 NE2 GLN A 96 10.073 -5.257 10.335 1.00 0.00 N ATOM 0 H GLN A 96 4.288 -4.764 10.989 1.00 0.00 H new ATOM 0 HA GLN A 96 5.967 -3.584 8.855 1.00 0.00 H new ATOM 0 HB2 GLN A 96 6.333 -6.206 10.355 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.234 -5.751 8.922 1.00 0.00 H new ATOM 0 HG2 GLN A 96 8.098 -3.741 10.165 1.00 0.00 H new ATOM 0 HG3 GLN A 96 7.281 -4.323 11.602 1.00 0.00 H new ATOM 0 HE21 GLN A 96 10.096 -4.502 9.650 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.911 -5.811 10.512 1.00 0.00 H new ATOM 1131 N ALA A 97 3.415 -4.866 8.313 1.00 0.00 N ATOM 1132 CA ALA A 97 2.478 -5.497 7.391 1.00 0.00 C ATOM 1133 C ALA A 97 2.726 -5.039 5.958 1.00 0.00 C ATOM 1134 O ALA A 97 2.725 -3.843 5.670 1.00 0.00 O ATOM 1135 CB ALA A 97 1.046 -5.192 7.805 1.00 0.00 C ATOM 0 H ALA A 97 3.005 -4.138 8.898 1.00 0.00 H new ATOM 0 HA ALA A 97 2.635 -6.575 7.432 1.00 0.00 H new ATOM 0 HB1 ALA A 97 0.356 -5.669 7.108 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.869 -5.574 8.810 1.00 0.00 H new ATOM 0 HB3 ALA A 97 0.886 -4.114 7.793 1.00 0.00 H new ATOM 1141 N ARG A 98 2.939 -6.000 5.064 1.00 0.00 N ATOM 1142 CA ARG A 98 3.280 -5.694 3.681 1.00 0.00 C ATOM 1143 C ARG A 98 2.118 -6.023 2.748 1.00 0.00 C ATOM 1144 O ARG A 98 2.307 -6.633 1.697 1.00 0.00 O ATOM 1145 CB ARG A 98 4.564 -6.379 3.240 1.00 0.00 C ATOM 1146 CG ARG A 98 5.824 -5.892 3.941 1.00 0.00 C ATOM 1147 CD ARG A 98 7.070 -6.564 3.496 1.00 0.00 C ATOM 1148 NE ARG A 98 8.259 -6.182 4.242 1.00 0.00 N ATOM 1149 CZ ARG A 98 8.984 -5.070 4.009 1.00 0.00 C ATOM 1150 NH1 ARG A 98 8.668 -4.248 3.032 1.00 0.00 N ATOM 1151 NH2 ARG A 98 10.036 -4.838 4.775 1.00 0.00 N ATOM 0 H ARG A 98 2.881 -6.997 5.274 1.00 0.00 H new ATOM 0 HA ARG A 98 3.465 -4.621 3.622 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.463 -7.451 3.409 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.685 -6.236 2.166 1.00 0.00 H new ATOM 0 HG2 ARG A 98 5.925 -4.819 3.777 1.00 0.00 H new ATOM 0 HG3 ARG A 98 5.709 -6.041 5.015 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.936 -7.643 3.578 1.00 0.00 H new ATOM 0 HD3 ARG A 98 7.231 -6.342 2.441 1.00 0.00 H new ATOM 0 HE ARG A 98 8.566 -6.799 4.994 1.00 0.00 H new ATOM 0 HH11 ARG A 98 7.864 -4.448 2.437 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.227 -3.411 2.869 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.280 -5.492 5.518 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.604 -4.005 4.623 1.00 0.00 H new ATOM 1165 N ALA A 99 0.916 -5.615 3.143 1.00 0.00 N ATOM 1166 CA ALA A 99 -0.254 -5.744 2.284 1.00 0.00 C ATOM 1167 C ALA A 99 -1.480 -5.105 2.925 1.00 0.00 C ATOM 1168 O ALA A 99 -1.545 -4.953 4.145 1.00 0.00 O ATOM 1169 CB ALA A 99 -0.521 -7.210 1.973 1.00 0.00 C ATOM 0 H ALA A 99 0.728 -5.193 4.052 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.049 -5.217 1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.398 -7.292 1.331 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.343 -7.637 1.464 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.700 -7.752 2.902 1.00 0.00 H new ATOM 1175 N TRP A 100 -2.448 -4.730 2.097 1.00 0.00 N ATOM 1176 CA TRP A 100 -3.689 -4.140 2.589 1.00 0.00 C ATOM 1177 C TRP A 100 -4.855 -4.480 1.668 1.00 0.00 C ATOM 1178 O TRP A 100 -4.657 -4.898 0.528 1.00 0.00 O ATOM 1179 CB TRP A 100 -3.542 -2.622 2.709 1.00 0.00 C ATOM 1180 CG TRP A 100 -2.366 -2.203 3.539 1.00 0.00 C ATOM 1181 CD1 TRP A 100 -2.384 -1.820 4.850 1.00 0.00 C ATOM 1182 CD2 TRP A 100 -1.003 -2.122 3.114 1.00 0.00 C ATOM 1183 NE1 TRP A 100 -1.113 -1.506 5.264 1.00 0.00 N ATOM 1184 CE2 TRP A 100 -0.248 -1.684 4.219 1.00 0.00 C ATOM 1185 CE3 TRP A 100 -0.346 -2.378 1.907 1.00 0.00 C ATOM 1186 CZ2 TRP A 100 1.132 -1.496 4.151 1.00 0.00 C ATOM 1187 CZ3 TRP A 100 1.023 -2.192 1.841 1.00 0.00 C ATOM 1188 CH2 TRP A 100 1.750 -1.755 2.959 1.00 0.00 C ATOM 0 H TRP A 100 -2.398 -4.824 1.083 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.896 -4.557 3.575 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -3.445 -2.194 1.711 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.451 -2.209 3.146 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -3.267 -1.771 5.469 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -0.855 -1.191 6.199 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -0.897 -2.715 1.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.693 -1.158 5.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 1.541 -2.386 0.914 1.00 0.00 H new ATOM 0 HH2 TRP A 100 2.818 -1.621 2.876 1.00 0.00 H new ATOM 1199 N SER A 101 -6.073 -4.297 2.170 1.00 0.00 N ATOM 1200 CA SER A 101 -7.272 -4.553 1.381 1.00 0.00 C ATOM 1201 C SER A 101 -7.866 -3.249 0.856 1.00 0.00 C ATOM 1202 O SER A 101 -7.777 -2.208 1.506 1.00 0.00 O ATOM 1203 CB SER A 101 -8.293 -5.306 2.210 1.00 0.00 C ATOM 1204 OG SER A 101 -9.514 -5.451 1.539 1.00 0.00 O ATOM 0 H SER A 101 -6.255 -3.972 3.120 1.00 0.00 H new ATOM 0 HA SER A 101 -6.995 -5.167 0.524 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.899 -6.291 2.462 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.457 -4.778 3.149 1.00 0.00 H new ATOM 0 HG SER A 101 -10.143 -5.943 2.107 1.00 0.00 H new ATOM 1210 N TRP A 102 -8.471 -3.315 -0.325 1.00 0.00 N ATOM 1211 CA TRP A 102 -9.224 -2.187 -0.862 1.00 0.00 C ATOM 1212 C TRP A 102 -10.300 -1.733 0.119 1.00 0.00 C ATOM 1213 O TRP A 102 -10.657 -0.557 0.159 1.00 0.00 O ATOM 1214 CB TRP A 102 -9.861 -2.565 -2.199 1.00 0.00 C ATOM 1215 CG TRP A 102 -9.048 -2.142 -3.386 1.00 0.00 C ATOM 1216 CD1 TRP A 102 -8.562 -2.948 -4.376 1.00 0.00 C ATOM 1217 CD2 TRP A 102 -8.621 -0.813 -3.704 1.00 0.00 C ATOM 1218 NE1 TRP A 102 -7.861 -2.199 -5.290 1.00 0.00 N ATOM 1219 CE2 TRP A 102 -7.884 -0.887 -4.902 1.00 0.00 C ATOM 1220 CE3 TRP A 102 -8.794 0.433 -3.095 1.00 0.00 C ATOM 1221 CZ2 TRP A 102 -7.318 0.239 -5.497 1.00 0.00 C ATOM 1222 CZ3 TRP A 102 -8.233 1.548 -3.688 1.00 0.00 C ATOM 1223 CH2 TRP A 102 -7.503 1.444 -4.880 1.00 0.00 C ATOM 0 H TRP A 102 -8.455 -4.137 -0.929 1.00 0.00 H new ATOM 0 HA TRP A 102 -8.531 -1.360 -1.018 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -10.005 -3.645 -2.232 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -10.849 -2.110 -2.264 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.707 -4.017 -4.432 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.398 -2.562 -6.123 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.356 0.523 -2.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -6.753 0.162 -6.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -8.359 2.516 -3.225 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -7.078 2.334 -5.320 1.00 0.00 H new ATOM 1234 N GLU A 103 -10.811 -2.674 0.906 1.00 0.00 N ATOM 1235 CA GLU A 103 -11.815 -2.360 1.917 1.00 0.00 C ATOM 1236 C GLU A 103 -11.210 -1.530 3.045 1.00 0.00 C ATOM 1237 O GLU A 103 -11.909 -0.766 3.712 1.00 0.00 O ATOM 1238 CB GLU A 103 -12.432 -3.643 2.477 1.00 0.00 C ATOM 1239 CG GLU A 103 -13.295 -4.411 1.486 1.00 0.00 C ATOM 1240 CD GLU A 103 -14.437 -3.568 0.989 1.00 0.00 C ATOM 1241 OE1 GLU A 103 -15.161 -3.043 1.800 1.00 0.00 O ATOM 1242 OE2 GLU A 103 -14.518 -3.355 -0.198 1.00 0.00 O ATOM 0 H GLU A 103 -10.547 -3.658 0.864 1.00 0.00 H new ATOM 0 HA GLU A 103 -12.600 -1.772 1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.631 -4.295 2.824 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -13.037 -3.391 3.348 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -12.685 -4.734 0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -13.684 -5.311 1.961 1.00 0.00 H new ATOM 1249 N PHE A 104 -9.907 -1.687 3.253 1.00 0.00 N ATOM 1250 CA PHE A 104 -9.187 -0.878 4.231 1.00 0.00 C ATOM 1251 C PHE A 104 -8.847 0.494 3.656 1.00 0.00 C ATOM 1252 O PHE A 104 -8.955 1.510 4.344 1.00 0.00 O ATOM 1253 CB PHE A 104 -7.912 -1.593 4.684 1.00 0.00 C ATOM 1254 CG PHE A 104 -7.143 -0.850 5.738 1.00 0.00 C ATOM 1255 CD1 PHE A 104 -7.548 -0.881 7.064 1.00 0.00 C ATOM 1256 CD2 PHE A 104 -6.014 -0.117 5.406 1.00 0.00 C ATOM 1257 CE1 PHE A 104 -6.840 -0.198 8.035 1.00 0.00 C ATOM 1258 CE2 PHE A 104 -5.303 0.567 6.375 1.00 0.00 C ATOM 1259 CZ PHE A 104 -5.718 0.526 7.692 1.00 0.00 C ATOM 0 H PHE A 104 -9.328 -2.366 2.758 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.835 -0.737 5.096 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -8.176 -2.579 5.067 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.267 -1.749 3.819 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.426 -1.445 7.341 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -5.686 -0.080 4.378 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.166 -0.232 9.064 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -4.424 1.133 6.102 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.165 1.060 8.451 1.00 0.00 H new ATOM 1269 N ILE A 105 -8.435 0.515 2.393 1.00 0.00 N ATOM 1270 CA ILE A 105 -8.135 1.765 1.708 1.00 0.00 C ATOM 1271 C ILE A 105 -9.373 2.651 1.614 1.00 0.00 C ATOM 1272 O ILE A 105 -9.348 3.817 2.009 1.00 0.00 O ATOM 1273 CB ILE A 105 -7.582 1.515 0.293 1.00 0.00 C ATOM 1274 CG1 ILE A 105 -6.222 0.816 0.367 1.00 0.00 C ATOM 1275 CG2 ILE A 105 -7.470 2.823 -0.473 1.00 0.00 C ATOM 1276 CD1 ILE A 105 -5.746 0.265 -0.958 1.00 0.00 C ATOM 0 H ILE A 105 -8.301 -0.321 1.823 1.00 0.00 H new ATOM 0 HA ILE A 105 -7.373 2.274 2.299 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.275 0.864 -0.240 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.481 1.522 0.744 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -6.282 0.001 1.088 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -7.077 2.628 -1.471 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -8.455 3.283 -0.554 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.797 3.498 0.056 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.776 -0.215 -0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.465 -0.466 -1.328 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.653 1.078 -1.678 1.00 0.00 H new ATOM 1288 N LYS A 106 -10.457 2.089 1.090 1.00 0.00 N ATOM 1289 CA LYS A 106 -11.694 2.839 0.902 1.00 0.00 C ATOM 1290 C LYS A 106 -12.233 3.341 2.237 1.00 0.00 C ATOM 1291 O LYS A 106 -12.576 4.514 2.378 1.00 0.00 O ATOM 1292 CB LYS A 106 -12.743 1.978 0.197 1.00 0.00 C ATOM 1293 CG LYS A 106 -12.482 1.757 -1.287 1.00 0.00 C ATOM 1294 CD LYS A 106 -13.469 0.763 -1.881 1.00 0.00 C ATOM 1295 CE LYS A 106 -14.893 1.300 -1.831 1.00 0.00 C ATOM 1296 NZ LYS A 106 -15.865 0.360 -2.454 1.00 0.00 N ATOM 0 H LYS A 106 -10.504 1.116 0.788 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.473 3.702 0.275 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.793 1.009 0.693 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.720 2.447 0.316 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.556 2.707 -1.817 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.465 1.392 -1.429 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.195 0.548 -2.914 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -13.414 -0.178 -1.334 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -15.176 1.480 -0.794 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -14.937 2.260 -2.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -16.822 0.763 -2.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -15.610 0.207 -3.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -15.843 -0.548 -1.948 1.00 0.00 H new ATOM 1310 N ASN A 107 -12.305 2.445 3.215 1.00 0.00 N ATOM 1311 CA ASN A 107 -12.845 2.787 4.526 1.00 0.00 C ATOM 1312 C ASN A 107 -12.011 3.875 5.192 1.00 0.00 C ATOM 1313 O ASN A 107 -12.550 4.804 5.794 1.00 0.00 O ATOM 1314 CB ASN A 107 -12.937 1.568 5.425 1.00 0.00 C ATOM 1315 CG ASN A 107 -14.042 0.620 5.052 1.00 0.00 C ATOM 1316 OD1 ASN A 107 -14.997 0.990 4.358 1.00 0.00 O ATOM 1317 ND2 ASN A 107 -13.960 -0.577 5.574 1.00 0.00 N ATOM 0 H ASN A 107 -11.996 1.477 3.125 1.00 0.00 H new ATOM 0 HA ASN A 107 -13.854 3.169 4.372 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -11.987 1.034 5.395 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -13.085 1.897 6.453 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -14.706 -1.255 5.416 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -13.150 -0.832 6.139 1.00 0.00 H new ATOM 1324 N ARG A 108 -10.693 3.756 5.078 1.00 0.00 N ATOM 1325 CA ARG A 108 -9.784 4.747 5.642 1.00 0.00 C ATOM 1326 C ARG A 108 -10.000 6.113 4.996 1.00 0.00 C ATOM 1327 O ARG A 108 -10.015 7.139 5.678 1.00 0.00 O ATOM 1328 CB ARG A 108 -8.329 4.310 5.554 1.00 0.00 C ATOM 1329 CG ARG A 108 -7.327 5.306 6.118 1.00 0.00 C ATOM 1330 CD ARG A 108 -7.475 5.567 7.572 1.00 0.00 C ATOM 1331 NE ARG A 108 -6.475 6.466 8.127 1.00 0.00 N ATOM 1332 CZ ARG A 108 -6.530 7.001 9.362 1.00 0.00 C ATOM 1333 NH1 ARG A 108 -7.549 6.764 10.159 1.00 0.00 N ATOM 1334 NH2 ARG A 108 -5.543 7.793 9.744 1.00 0.00 N ATOM 0 H ARG A 108 -10.230 2.983 4.600 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.018 4.835 6.703 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -8.216 3.364 6.083 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -8.084 4.122 4.509 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.319 4.936 5.928 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -7.427 6.249 5.580 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -8.464 5.987 7.754 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -7.428 4.618 8.106 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.677 6.708 7.540 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -8.314 6.167 9.845 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.574 7.177 11.091 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -4.768 7.984 9.109 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.557 8.213 10.673 1.00 0.00 H new ATOM 1348 N LEU A 109 -10.163 6.118 3.678 1.00 0.00 N ATOM 1349 CA LEU A 109 -10.504 7.339 2.955 1.00 0.00 C ATOM 1350 C LEU A 109 -11.821 7.919 3.457 1.00 0.00 C ATOM 1351 O LEU A 109 -11.942 9.128 3.662 1.00 0.00 O ATOM 1352 CB LEU A 109 -10.580 7.060 1.448 1.00 0.00 C ATOM 1353 CG LEU A 109 -9.237 6.767 0.769 1.00 0.00 C ATOM 1354 CD1 LEU A 109 -9.464 6.325 -0.670 1.00 0.00 C ATOM 1355 CD2 LEU A 109 -8.360 8.010 0.821 1.00 0.00 C ATOM 0 H LEU A 109 -10.065 5.292 3.088 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.720 8.074 3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -11.244 6.211 1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.036 7.920 0.958 1.00 0.00 H new ATOM 0 HG LEU A 109 -8.731 5.958 1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.504 6.119 -1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.075 5.422 -0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.976 7.116 -1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -7.405 7.802 0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -8.858 8.829 0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.188 8.291 1.860 1.00 0.00 H new ATOM 1367 N LYS A 110 -12.807 7.051 3.656 1.00 0.00 N ATOM 1368 CA LYS A 110 -14.107 7.472 4.163 1.00 0.00 C ATOM 1369 C LYS A 110 -13.973 8.106 5.544 1.00 0.00 C ATOM 1370 O LYS A 110 -14.694 9.044 5.879 1.00 0.00 O ATOM 1371 CB LYS A 110 -15.072 6.286 4.219 1.00 0.00 C ATOM 1372 CG LYS A 110 -15.534 5.787 2.857 1.00 0.00 C ATOM 1373 CD LYS A 110 -16.478 4.602 2.993 1.00 0.00 C ATOM 1374 CE LYS A 110 -16.932 4.096 1.631 1.00 0.00 C ATOM 1375 NZ LYS A 110 -17.832 2.917 1.747 1.00 0.00 N ATOM 0 H LYS A 110 -12.730 6.050 3.474 1.00 0.00 H new ATOM 0 HA LYS A 110 -14.509 8.219 3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -14.589 5.465 4.749 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -15.946 6.572 4.804 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -16.035 6.594 2.322 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -14.669 5.499 2.260 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.980 3.798 3.534 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -17.347 4.893 3.583 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -17.449 4.896 1.101 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -16.060 3.829 1.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -18.118 2.604 0.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -17.331 2.144 2.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -18.677 3.178 2.295 1.00 0.00 H new ATOM 1389 N GLU A 111 -13.043 7.587 6.341 1.00 0.00 N ATOM 1390 CA GLU A 111 -12.771 8.144 7.661 1.00 0.00 C ATOM 1391 C GLU A 111 -12.265 9.579 7.553 1.00 0.00 C ATOM 1392 O GLU A 111 -12.408 10.372 8.483 1.00 0.00 O ATOM 1393 CB GLU A 111 -11.755 7.280 8.410 1.00 0.00 C ATOM 1394 CG GLU A 111 -12.290 5.928 8.861 1.00 0.00 C ATOM 1395 CD GLU A 111 -11.212 5.102 9.508 1.00 0.00 C ATOM 1396 OE1 GLU A 111 -10.089 5.542 9.534 1.00 0.00 O ATOM 1397 OE2 GLU A 111 -11.533 4.085 10.076 1.00 0.00 O ATOM 0 H GLU A 111 -12.466 6.782 6.095 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.705 8.151 8.222 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.890 7.119 7.767 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.405 7.828 9.284 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -13.110 6.075 9.564 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -12.697 5.391 8.004 1.00 0.00 H new ATOM 1404 N LEU A 112 -11.669 9.905 6.410 1.00 0.00 N ATOM 1405 CA LEU A 112 -11.098 11.229 6.196 1.00 0.00 C ATOM 1406 C LEU A 112 -12.193 12.260 5.939 1.00 0.00 C ATOM 1407 O LEU A 112 -12.006 13.452 6.180 1.00 0.00 O ATOM 1408 CB LEU A 112 -10.106 11.196 5.025 1.00 0.00 C ATOM 1409 CG LEU A 112 -8.855 10.341 5.255 1.00 0.00 C ATOM 1410 CD1 LEU A 112 -8.010 10.301 3.987 1.00 0.00 C ATOM 1411 CD2 LEU A 112 -8.055 10.909 6.418 1.00 0.00 C ATOM 0 H LEU A 112 -11.569 9.270 5.618 1.00 0.00 H new ATOM 0 HA LEU A 112 -10.564 11.522 7.100 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.624 10.824 4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.794 12.217 4.805 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.152 9.321 5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.123 9.691 4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -8.594 9.870 3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.708 11.313 3.719 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.166 10.300 6.580 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.757 11.932 6.189 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.668 10.903 7.319 1.00 0.00 H new ATOM 1423 N ASN A 113 -13.336 11.791 5.453 1.00 0.00 N ATOM 1424 CA ASN A 113 -14.467 12.670 5.178 1.00 0.00 C ATOM 1425 C ASN A 113 -15.583 12.456 6.198 1.00 0.00 C ATOM 1426 O ASN A 113 -16.507 11.675 5.968 1.00 0.00 O ATOM 1427 CB ASN A 113 -14.994 12.475 3.769 1.00 0.00 C ATOM 1428 CG ASN A 113 -16.059 13.463 3.379 1.00 0.00 C ATOM 1429 OD1 ASN A 113 -16.681 14.107 4.232 1.00 0.00 O ATOM 1430 ND2 ASN A 113 -16.327 13.527 2.100 1.00 0.00 N ATOM 0 H ASN A 113 -13.505 10.808 5.241 1.00 0.00 H new ATOM 0 HA ASN A 113 -14.110 13.696 5.263 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -14.164 12.553 3.066 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -15.396 11.466 3.677 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -17.080 14.129 1.766 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -15.783 12.975 1.437 1.00 0.00 H new ATOM 1437 N LEU A 114 -15.490 13.157 7.323 1.00 0.00 N ATOM 1438 CA LEU A 114 -16.484 13.032 8.384 1.00 0.00 C ATOM 1439 C LEU A 114 -17.753 13.802 8.034 1.00 0.00 C ATOM 1440 O LEU A 114 -18.811 13.210 7.824 1.00 0.00 O ATOM 1441 CB LEU A 114 -15.905 13.530 9.715 1.00 0.00 C ATOM 1442 CG LEU A 114 -14.722 12.719 10.257 1.00 0.00 C ATOM 1443 CD1 LEU A 114 -14.169 13.377 11.513 1.00 0.00 C ATOM 1444 CD2 LEU A 114 -15.172 11.294 10.547 1.00 0.00 C ATOM 1445 OXT LEU A 114 -17.728 14.999 7.960 1.00 0.00 O ATOM 0 H LEU A 114 -14.738 13.816 7.524 1.00 0.00 H new ATOM 0 HA LEU A 114 -16.745 11.979 8.487 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -15.588 14.565 9.590 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -16.699 13.528 10.462 1.00 0.00 H new ATOM 0 HG LEU A 114 -13.928 12.691 9.510 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -13.329 12.793 11.890 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -13.832 14.386 11.277 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -14.949 13.423 12.273 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -14.331 10.718 10.932 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -15.971 11.309 11.288 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -15.537 10.834 9.629 1.00 0.00 H new TER 1457 LEU A 114