USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 838 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 31 THR OG1 : rot -100:sc= -0.53 USER MOD Set 1.2: A 33 LYS NZ :NH3+ 143:sc= -0.543 (180deg=-2.61!) USER MOD Single : A 1 ASN : amide:sc= -0.0332 K(o=-0.033,f=-1.4!) USER MOD Single : A 1 ASN N :NH3+ -110:sc= 0.245 (180deg=-0.911) USER MOD Single : A 2 GLN : amide:sc= -0.384 K(o=-0.38,f=-2.9!) USER MOD Single : A 5 ASN : amide:sc= -0.0639 K(o=-0.064,f=-1.8) USER MOD Single : A 8 SER OG : rot 180:sc= -0.0756 USER MOD Single : A 11 ASN : amide:sc= -0.24 K(o=-0.24,f=-3.7!) USER MOD Single : A 15 ASN : amide:sc= -0.653 K(o=-0.65,f=-8.8!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -66:sc= 0.794 USER MOD Single : A 35 TYR OH : rot -138:sc= -2.49! USER MOD Single : A 39 SER OG : rot -45:sc= 0.877 USER MOD Single : A 42 MET CE :methyl -178:sc= 0 (180deg=-0.00657) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.369 USER MOD Single : A 50 HIS :FLIP no HD1:sc= -1.83 F(o=-3.2!,f=-1.8) USER MOD Single : A 55 TYR OH : rot -89:sc= 0.528 USER MOD Single : A 56 ASN : amide:sc= -6.36! C(o=-6.4!,f=-6.6!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.813 K(o=-0.81,f=-4.4!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.411 USER MOD Single : A 68 ASN : amide:sc= -0.484 X(o=-0.48,f=-0.18) USER MOD Single : A 69 THR OG1 : rot -25:sc= 0.371 USER MOD Single : A 73 HIS : no HE2:sc= -0.873 K(o=-0.87,f=-7.1!) USER MOD Single : A 75 HIS : no HD1:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : A 76 ASN : amide:sc= -0.0682 K(o=-0.068,f=-2.2!) USER MOD Single : A 80 LYS NZ :NH3+ -128:sc= -0.064 (180deg=-0.528) USER MOD Single : A 83 LYS NZ :NH3+ 158:sc= -0.126 (180deg=-0.965) USER MOD Single : A 84 SER OG : rot 180:sc= -0.241 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl -175:sc= 0 (180deg=-0.00517) USER MOD Single : A 98 ASN : amide:sc= -0.516 X(o=-0.52,f=-0.44) USER MOD Single : A 99 ASN : amide:sc= -1.63 K(o=-1.6,f=-5.2!) USER MOD Single : A 102 THR OG1 : rot -77:sc= 0.228 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -23.729 -1.860 -4.959 1.00 0.00 N ATOM 2 CA ASN A 1 -24.602 -2.170 -3.791 1.00 0.00 C ATOM 3 C ASN A 1 -23.753 -2.229 -2.520 1.00 0.00 C ATOM 4 O ASN A 1 -22.863 -3.045 -2.395 1.00 0.00 O ATOM 5 CB ASN A 1 -25.287 -3.521 -4.011 1.00 0.00 C ATOM 6 CG ASN A 1 -26.298 -3.402 -5.154 1.00 0.00 C ATOM 7 OD1 ASN A 1 -26.888 -2.359 -5.352 1.00 0.00 O ATOM 8 ND2 ASN A 1 -26.523 -4.435 -5.919 1.00 0.00 N ATOM 0 H1 ASN A 1 -23.932 -0.898 -5.299 1.00 0.00 H new ATOM 0 H2 ASN A 1 -22.731 -1.923 -4.673 1.00 0.00 H new ATOM 0 H3 ASN A 1 -23.914 -2.543 -5.722 1.00 0.00 H new ATOM 0 HA ASN A 1 -25.358 -1.392 -3.686 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -24.544 -4.283 -4.247 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -25.791 -3.838 -3.098 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -27.195 -4.367 -6.684 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -26.027 -5.311 -5.752 1.00 0.00 H new ATOM 17 N GLN A 2 -24.020 -1.364 -1.577 1.00 0.00 N ATOM 18 CA GLN A 2 -23.228 -1.364 -0.314 1.00 0.00 C ATOM 19 C GLN A 2 -21.746 -1.153 -0.645 1.00 0.00 C ATOM 20 O GLN A 2 -20.874 -1.783 -0.081 1.00 0.00 O ATOM 21 CB GLN A 2 -23.422 -2.706 0.413 1.00 0.00 C ATOM 22 CG GLN A 2 -23.018 -2.570 1.887 1.00 0.00 C ATOM 23 CD GLN A 2 -24.064 -1.737 2.632 1.00 0.00 C ATOM 24 OE1 GLN A 2 -25.051 -1.322 2.056 1.00 0.00 O ATOM 25 NE2 GLN A 2 -23.889 -1.474 3.898 1.00 0.00 N ATOM 0 H GLN A 2 -24.753 -0.657 -1.628 1.00 0.00 H new ATOM 0 HA GLN A 2 -23.568 -0.557 0.335 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -24.463 -3.021 0.341 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -22.822 -3.479 -0.067 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -22.932 -3.556 2.343 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -22.039 -2.096 1.964 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -23.061 -1.822 4.381 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -24.580 -0.920 4.404 1.00 0.00 H new ATOM 34 N GLY A 3 -21.458 -0.268 -1.561 1.00 0.00 N ATOM 35 CA GLY A 3 -20.035 -0.008 -1.935 1.00 0.00 C ATOM 36 C GLY A 3 -19.327 -1.333 -2.230 1.00 0.00 C ATOM 37 O GLY A 3 -18.148 -1.486 -1.982 1.00 0.00 O ATOM 0 H GLY A 3 -22.147 0.288 -2.068 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -19.992 0.641 -2.810 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -19.526 0.515 -1.125 1.00 0.00 H new ATOM 41 N ASP A 4 -20.038 -2.292 -2.756 1.00 0.00 N ATOM 42 CA ASP A 4 -19.407 -3.608 -3.065 1.00 0.00 C ATOM 43 C ASP A 4 -18.169 -3.389 -3.938 1.00 0.00 C ATOM 44 O ASP A 4 -18.266 -2.975 -5.076 1.00 0.00 O ATOM 45 CB ASP A 4 -20.408 -4.489 -3.813 1.00 0.00 C ATOM 46 CG ASP A 4 -20.925 -3.744 -5.044 1.00 0.00 C ATOM 47 OD1 ASP A 4 -20.767 -2.536 -5.091 1.00 0.00 O ATOM 48 OD2 ASP A 4 -21.471 -4.394 -5.920 1.00 0.00 O ATOM 0 H ASP A 4 -21.029 -2.222 -2.986 1.00 0.00 H new ATOM 0 HA ASP A 4 -19.114 -4.097 -2.136 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -19.933 -5.423 -4.113 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -21.239 -4.750 -3.158 1.00 0.00 H new ATOM 53 N ASN A 5 -17.006 -3.666 -3.414 1.00 0.00 N ATOM 54 CA ASN A 5 -15.762 -3.476 -4.210 1.00 0.00 C ATOM 55 C ASN A 5 -14.599 -4.160 -3.491 1.00 0.00 C ATOM 56 O ASN A 5 -14.336 -3.904 -2.331 1.00 0.00 O ATOM 57 CB ASN A 5 -15.468 -1.981 -4.351 1.00 0.00 C ATOM 58 CG ASN A 5 -14.169 -1.788 -5.135 1.00 0.00 C ATOM 59 OD1 ASN A 5 -13.769 -2.650 -5.892 1.00 0.00 O ATOM 60 ND2 ASN A 5 -13.488 -0.685 -4.985 1.00 0.00 N ATOM 0 H ASN A 5 -16.864 -4.016 -2.467 1.00 0.00 H new ATOM 0 HA ASN A 5 -15.889 -3.912 -5.201 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -16.292 -1.484 -4.864 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -15.382 -1.522 -3.366 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -12.620 -0.547 -5.503 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -13.823 0.039 -4.350 1.00 0.00 H new ATOM 67 N GLU A 6 -13.900 -5.032 -4.168 1.00 0.00 N ATOM 68 CA GLU A 6 -12.755 -5.735 -3.520 1.00 0.00 C ATOM 69 C GLU A 6 -11.857 -6.363 -4.589 1.00 0.00 C ATOM 70 O GLU A 6 -12.276 -6.614 -5.702 1.00 0.00 O ATOM 71 CB GLU A 6 -13.293 -6.832 -2.596 1.00 0.00 C ATOM 72 CG GLU A 6 -14.057 -7.874 -3.420 1.00 0.00 C ATOM 73 CD GLU A 6 -14.824 -8.808 -2.481 1.00 0.00 C ATOM 74 OE1 GLU A 6 -14.209 -9.336 -1.569 1.00 0.00 O ATOM 75 OE2 GLU A 6 -16.014 -8.980 -2.690 1.00 0.00 O ATOM 0 H GLU A 6 -14.072 -5.287 -5.140 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.173 -5.018 -2.941 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.470 -7.308 -2.063 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.950 -6.397 -1.843 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.749 -7.378 -4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.362 -8.448 -4.033 1.00 0.00 H new ATOM 82 N ILE A 7 -10.618 -6.621 -4.254 1.00 0.00 N ATOM 83 CA ILE A 7 -9.669 -7.235 -5.234 1.00 0.00 C ATOM 84 C ILE A 7 -8.635 -8.065 -4.465 1.00 0.00 C ATOM 85 O ILE A 7 -8.480 -7.921 -3.269 1.00 0.00 O ATOM 86 CB ILE A 7 -8.963 -6.138 -6.036 1.00 0.00 C ATOM 87 CG1 ILE A 7 -8.317 -5.137 -5.073 1.00 0.00 C ATOM 88 CG2 ILE A 7 -9.980 -5.413 -6.925 1.00 0.00 C ATOM 89 CD1 ILE A 7 -7.668 -3.998 -5.865 1.00 0.00 C ATOM 0 H ILE A 7 -10.219 -6.431 -3.335 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.217 -7.875 -5.926 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.193 -6.587 -6.663 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.068 -4.737 -4.392 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.568 -5.639 -4.461 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.475 -4.633 -7.494 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.436 -6.126 -7.612 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.753 -4.964 -6.302 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.210 -3.289 -5.175 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.904 -4.405 -6.527 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.427 -3.488 -6.458 1.00 0.00 H new ATOM 101 N SER A 8 -7.931 -8.938 -5.140 1.00 0.00 N ATOM 102 CA SER A 8 -6.908 -9.787 -4.447 1.00 0.00 C ATOM 103 C SER A 8 -5.719 -10.030 -5.374 1.00 0.00 C ATOM 104 O SER A 8 -5.823 -9.932 -6.581 1.00 0.00 O ATOM 105 CB SER A 8 -7.537 -11.129 -4.073 1.00 0.00 C ATOM 106 OG SER A 8 -8.598 -10.911 -3.153 1.00 0.00 O ATOM 0 H SER A 8 -8.019 -9.102 -6.143 1.00 0.00 H new ATOM 0 HA SER A 8 -6.565 -9.274 -3.549 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.912 -11.629 -4.966 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.787 -11.785 -3.631 1.00 0.00 H new ATOM 0 HG SER A 8 -9.004 -11.770 -2.913 1.00 0.00 H new ATOM 112 N VAL A 9 -4.589 -10.357 -4.809 1.00 0.00 N ATOM 113 CA VAL A 9 -3.372 -10.624 -5.631 1.00 0.00 C ATOM 114 C VAL A 9 -2.471 -11.598 -4.866 1.00 0.00 C ATOM 115 O VAL A 9 -1.725 -11.222 -3.986 1.00 0.00 O ATOM 116 CB VAL A 9 -2.629 -9.304 -5.923 1.00 0.00 C ATOM 117 CG1 VAL A 9 -2.359 -8.517 -4.624 1.00 0.00 C ATOM 118 CG2 VAL A 9 -1.301 -9.609 -6.628 1.00 0.00 C ATOM 0 H VAL A 9 -4.455 -10.452 -3.802 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.655 -11.066 -6.586 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.259 -8.691 -6.567 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.834 -7.592 -4.862 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.306 -8.283 -4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.746 -9.120 -3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.776 -8.676 -6.834 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.684 -10.238 -5.986 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.498 -10.130 -7.565 1.00 0.00 H new ATOM 128 N GLY A 10 -2.553 -12.860 -5.185 1.00 0.00 N ATOM 129 CA GLY A 10 -1.720 -13.868 -4.471 1.00 0.00 C ATOM 130 C GLY A 10 -2.374 -14.203 -3.129 1.00 0.00 C ATOM 131 O GLY A 10 -3.478 -14.706 -3.077 1.00 0.00 O ATOM 0 H GLY A 10 -3.162 -13.237 -5.911 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.621 -14.769 -5.076 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.714 -13.479 -4.312 1.00 0.00 H new ATOM 135 N ASN A 11 -1.695 -13.932 -2.041 1.00 0.00 N ATOM 136 CA ASN A 11 -2.260 -14.238 -0.684 1.00 0.00 C ATOM 137 C ASN A 11 -2.805 -12.960 -0.037 1.00 0.00 C ATOM 138 O ASN A 11 -3.139 -12.954 1.134 1.00 0.00 O ATOM 139 CB ASN A 11 -1.149 -14.810 0.199 1.00 0.00 C ATOM 140 CG ASN A 11 -0.611 -16.097 -0.427 1.00 0.00 C ATOM 141 OD1 ASN A 11 -1.070 -16.519 -1.468 1.00 0.00 O ATOM 142 ND2 ASN A 11 0.353 -16.744 0.171 1.00 0.00 N ATOM 0 H ASN A 11 -0.767 -13.509 -2.032 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.071 -14.959 -0.788 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.345 -14.082 0.307 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.533 -15.012 1.199 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.720 -17.604 -0.237 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.739 -16.389 1.046 1.00 0.00 H new ATOM 149 N LEU A 12 -2.879 -11.871 -0.775 1.00 0.00 N ATOM 150 CA LEU A 12 -3.387 -10.581 -0.197 1.00 0.00 C ATOM 151 C LEU A 12 -4.794 -10.288 -0.730 1.00 0.00 C ATOM 152 O LEU A 12 -5.019 -10.256 -1.923 1.00 0.00 O ATOM 153 CB LEU A 12 -2.443 -9.440 -0.610 1.00 0.00 C ATOM 154 CG LEU A 12 -0.982 -9.875 -0.445 1.00 0.00 C ATOM 155 CD1 LEU A 12 -0.064 -8.703 -0.800 1.00 0.00 C ATOM 156 CD2 LEU A 12 -0.726 -10.307 1.007 1.00 0.00 C ATOM 0 H LEU A 12 -2.608 -11.822 -1.757 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.424 -10.662 0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.632 -9.159 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.638 -8.558 -0.000 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.778 -10.716 -1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.976 -9.008 -0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.241 -8.402 -1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.272 -7.864 -0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.314 -10.615 1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.930 -9.471 1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.380 -11.142 1.259 1.00 0.00 H new ATOM 168 N ARG A 13 -5.738 -10.056 0.157 1.00 0.00 N ATOM 169 CA ARG A 13 -7.147 -9.741 -0.268 1.00 0.00 C ATOM 170 C ARG A 13 -7.491 -8.325 0.201 1.00 0.00 C ATOM 171 O ARG A 13 -7.265 -7.973 1.338 1.00 0.00 O ATOM 172 CB ARG A 13 -8.110 -10.753 0.362 1.00 0.00 C ATOM 173 CG ARG A 13 -9.556 -10.366 0.036 1.00 0.00 C ATOM 174 CD ARG A 13 -10.493 -11.516 0.412 1.00 0.00 C ATOM 175 NE ARG A 13 -11.908 -11.083 0.230 1.00 0.00 N ATOM 176 CZ ARG A 13 -12.881 -11.816 0.700 1.00 0.00 C ATOM 177 NH1 ARG A 13 -12.616 -12.930 1.326 1.00 0.00 N ATOM 178 NH2 ARG A 13 -14.118 -11.435 0.543 1.00 0.00 N ATOM 0 H ARG A 13 -5.592 -10.071 1.166 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.237 -9.801 -1.353 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.898 -11.754 -0.015 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.966 -10.782 1.442 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.834 -9.464 0.582 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.652 -10.138 -1.026 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.285 -12.387 -0.210 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.323 -11.815 1.446 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.116 -10.214 -0.262 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.648 -13.229 1.448 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.377 -13.502 1.693 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.325 -10.565 0.053 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.878 -12.007 0.910 1.00 0.00 H new ATOM 192 N LEU A 14 -8.018 -7.502 -0.681 1.00 0.00 N ATOM 193 CA LEU A 14 -8.365 -6.086 -0.314 1.00 0.00 C ATOM 194 C LEU A 14 -9.883 -5.876 -0.398 1.00 0.00 C ATOM 195 O LEU A 14 -10.469 -5.974 -1.458 1.00 0.00 O ATOM 196 CB LEU A 14 -7.671 -5.137 -1.310 1.00 0.00 C ATOM 197 CG LEU A 14 -7.686 -3.681 -0.771 1.00 0.00 C ATOM 198 CD1 LEU A 14 -6.454 -3.427 0.120 1.00 0.00 C ATOM 199 CD2 LEU A 14 -7.673 -2.687 -1.945 1.00 0.00 C ATOM 0 H LEU A 14 -8.224 -7.753 -1.648 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.033 -5.882 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.643 -5.460 -1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.176 -5.180 -2.275 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.592 -3.540 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.478 -2.402 0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.466 -4.118 0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.546 -3.581 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.684 -1.668 -1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.773 -2.840 -2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.553 -2.848 -2.568 1.00 0.00 H new ATOM 211 N ASN A 15 -10.518 -5.570 0.713 1.00 0.00 N ATOM 212 CA ASN A 15 -12.004 -5.328 0.716 1.00 0.00 C ATOM 213 C ASN A 15 -12.268 -3.845 0.996 1.00 0.00 C ATOM 214 O ASN A 15 -12.268 -3.406 2.129 1.00 0.00 O ATOM 215 CB ASN A 15 -12.661 -6.175 1.813 1.00 0.00 C ATOM 216 CG ASN A 15 -12.694 -7.643 1.378 1.00 0.00 C ATOM 217 OD1 ASN A 15 -11.888 -8.069 0.573 1.00 0.00 O ATOM 218 ND2 ASN A 15 -13.598 -8.439 1.878 1.00 0.00 N ATOM 0 H ASN A 15 -10.069 -5.477 1.624 1.00 0.00 H new ATOM 0 HA ASN A 15 -12.422 -5.604 -0.252 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -12.106 -6.074 2.746 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -13.673 -5.819 2.004 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.629 -9.418 1.594 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -14.274 -8.082 2.553 1.00 0.00 H new ATOM 225 N VAL A 16 -12.491 -3.070 -0.031 1.00 0.00 N ATOM 226 CA VAL A 16 -12.754 -1.615 0.164 1.00 0.00 C ATOM 227 C VAL A 16 -14.115 -1.427 0.829 1.00 0.00 C ATOM 228 O VAL A 16 -14.349 -0.465 1.534 1.00 0.00 O ATOM 229 CB VAL A 16 -12.760 -0.918 -1.195 1.00 0.00 C ATOM 230 CG1 VAL A 16 -12.849 0.595 -0.995 1.00 0.00 C ATOM 231 CG2 VAL A 16 -11.471 -1.257 -1.948 1.00 0.00 C ATOM 0 H VAL A 16 -12.502 -3.384 -1.001 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.976 -1.187 0.796 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.620 -1.258 -1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.853 1.091 -1.966 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.767 0.838 -0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.990 0.937 -0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.475 -0.760 -2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.612 -0.918 -1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -11.407 -2.335 -2.093 1.00 0.00 H new ATOM 241 N THR A 17 -15.015 -2.339 0.604 1.00 0.00 N ATOM 242 CA THR A 17 -16.369 -2.224 1.215 1.00 0.00 C ATOM 243 C THR A 17 -16.251 -2.317 2.740 1.00 0.00 C ATOM 244 O THR A 17 -16.728 -1.462 3.460 1.00 0.00 O ATOM 245 CB THR A 17 -17.273 -3.361 0.691 1.00 0.00 C ATOM 246 OG1 THR A 17 -18.211 -3.726 1.694 1.00 0.00 O ATOM 247 CG2 THR A 17 -16.424 -4.585 0.319 1.00 0.00 C ATOM 0 H THR A 17 -14.872 -3.164 0.021 1.00 0.00 H new ATOM 0 HA THR A 17 -16.809 -1.264 0.945 1.00 0.00 H new ATOM 0 HB THR A 17 -17.801 -3.010 -0.196 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.785 -4.446 1.359 1.00 0.00 H new ATOM 0 HG21 THR A 17 -17.073 -5.380 -0.049 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.710 -4.310 -0.458 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.885 -4.935 1.199 1.00 0.00 H new ATOM 255 N ARG A 18 -15.616 -3.345 3.239 1.00 0.00 N ATOM 256 CA ARG A 18 -15.460 -3.495 4.718 1.00 0.00 C ATOM 257 C ARG A 18 -14.165 -2.811 5.148 1.00 0.00 C ATOM 258 O ARG A 18 -13.879 -2.678 6.321 1.00 0.00 O ATOM 259 CB ARG A 18 -15.393 -4.983 5.072 1.00 0.00 C ATOM 260 CG ARG A 18 -16.564 -5.717 4.418 1.00 0.00 C ATOM 261 CD ARG A 18 -16.534 -7.192 4.821 1.00 0.00 C ATOM 262 NE ARG A 18 -17.782 -7.860 4.357 1.00 0.00 N ATOM 263 CZ ARG A 18 -18.910 -7.640 4.976 1.00 0.00 C ATOM 264 NH1 ARG A 18 -18.946 -6.836 6.004 1.00 0.00 N ATOM 265 NH2 ARG A 18 -20.003 -8.225 4.567 1.00 0.00 N ATOM 0 H ARG A 18 -15.197 -4.091 2.684 1.00 0.00 H new ATOM 0 HA ARG A 18 -16.307 -3.040 5.231 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.448 -5.407 4.731 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.428 -5.112 6.154 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -17.507 -5.265 4.725 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -16.504 -5.625 3.334 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.663 -7.681 4.385 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -16.441 -7.282 5.903 1.00 0.00 H new ATOM 0 HE ARG A 18 -17.755 -8.490 3.555 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -18.092 -6.379 6.324 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -19.828 -6.665 6.487 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -19.975 -8.854 3.764 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -20.885 -8.054 5.050 1.00 0.00 H new ATOM 279 N ARG A 19 -13.375 -2.398 4.195 1.00 0.00 N ATOM 280 CA ARG A 19 -12.080 -1.735 4.516 1.00 0.00 C ATOM 281 C ARG A 19 -11.250 -2.674 5.397 1.00 0.00 C ATOM 282 O ARG A 19 -11.006 -2.406 6.556 1.00 0.00 O ATOM 283 CB ARG A 19 -12.321 -0.412 5.260 1.00 0.00 C ATOM 284 CG ARG A 19 -13.275 0.493 4.457 1.00 0.00 C ATOM 285 CD ARG A 19 -12.539 1.140 3.277 1.00 0.00 C ATOM 286 NE ARG A 19 -13.397 2.209 2.688 1.00 0.00 N ATOM 287 CZ ARG A 19 -12.883 3.082 1.866 1.00 0.00 C ATOM 288 NH1 ARG A 19 -11.616 3.020 1.555 1.00 0.00 N ATOM 289 NH2 ARG A 19 -13.634 4.018 1.355 1.00 0.00 N ATOM 0 H ARG A 19 -13.574 -2.493 3.199 1.00 0.00 H new ATOM 0 HA ARG A 19 -11.548 -1.519 3.589 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.744 -0.613 6.244 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -11.372 0.100 5.419 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -14.118 -0.093 4.090 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -13.684 1.267 5.107 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.591 1.561 3.612 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -12.305 0.388 2.523 1.00 0.00 H new ATOM 0 HE ARG A 19 -14.387 2.257 2.928 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.028 2.289 1.955 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.215 3.703 0.912 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.623 4.068 1.598 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.232 4.700 0.712 1.00 0.00 H new ATOM 303 N LEU A 20 -10.813 -3.775 4.841 1.00 0.00 N ATOM 304 CA LEU A 20 -9.989 -4.759 5.606 1.00 0.00 C ATOM 305 C LEU A 20 -8.946 -5.350 4.659 1.00 0.00 C ATOM 306 O LEU A 20 -9.104 -5.309 3.455 1.00 0.00 O ATOM 307 CB LEU A 20 -10.879 -5.890 6.140 1.00 0.00 C ATOM 308 CG LEU A 20 -11.846 -5.375 7.221 1.00 0.00 C ATOM 309 CD1 LEU A 20 -12.830 -6.495 7.575 1.00 0.00 C ATOM 310 CD2 LEU A 20 -11.073 -4.943 8.488 1.00 0.00 C ATOM 0 H LEU A 20 -10.996 -4.038 3.873 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.508 -4.260 6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.447 -6.328 5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.255 -6.682 6.554 1.00 0.00 H new ATOM 0 HG LEU A 20 -12.383 -4.508 6.837 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.522 -6.143 8.341 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -13.390 -6.782 6.685 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -12.280 -7.357 7.952 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -11.777 -4.583 9.238 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.522 -5.795 8.887 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.374 -4.146 8.234 1.00 0.00 H new ATOM 322 N VAL A 21 -7.872 -5.888 5.186 1.00 0.00 N ATOM 323 CA VAL A 21 -6.809 -6.471 4.309 1.00 0.00 C ATOM 324 C VAL A 21 -6.232 -7.734 4.954 1.00 0.00 C ATOM 325 O VAL A 21 -5.744 -7.703 6.066 1.00 0.00 O ATOM 326 CB VAL A 21 -5.694 -5.438 4.140 1.00 0.00 C ATOM 327 CG1 VAL A 21 -4.718 -5.907 3.057 1.00 0.00 C ATOM 328 CG2 VAL A 21 -6.302 -4.089 3.741 1.00 0.00 C ATOM 0 H VAL A 21 -7.686 -5.948 6.187 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.236 -6.730 3.340 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.157 -5.326 5.082 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.924 -5.169 2.938 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.284 -6.864 3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.250 -6.022 2.113 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.507 -3.353 3.621 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.842 -4.197 2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.990 -3.756 4.518 1.00 0.00 H new ATOM 338 N TRP A 22 -6.269 -8.844 4.255 1.00 0.00 N ATOM 339 CA TRP A 22 -5.706 -10.116 4.810 1.00 0.00 C ATOM 340 C TRP A 22 -4.310 -10.340 4.231 1.00 0.00 C ATOM 341 O TRP A 22 -3.992 -9.884 3.149 1.00 0.00 O ATOM 342 CB TRP A 22 -6.598 -11.295 4.421 1.00 0.00 C ATOM 343 CG TRP A 22 -7.924 -11.168 5.096 1.00 0.00 C ATOM 344 CD1 TRP A 22 -8.318 -11.883 6.175 1.00 0.00 C ATOM 345 CD2 TRP A 22 -9.034 -10.290 4.759 1.00 0.00 C ATOM 346 NE1 TRP A 22 -9.601 -11.500 6.520 1.00 0.00 N ATOM 347 CE2 TRP A 22 -10.086 -10.520 5.677 1.00 0.00 C ATOM 348 CE3 TRP A 22 -9.227 -9.326 3.755 1.00 0.00 C ATOM 349 CZ2 TRP A 22 -11.289 -9.817 5.601 1.00 0.00 C ATOM 350 CZ3 TRP A 22 -10.434 -8.618 3.675 1.00 0.00 C ATOM 351 CH2 TRP A 22 -11.464 -8.862 4.596 1.00 0.00 C ATOM 0 H TRP A 22 -6.667 -8.923 3.319 1.00 0.00 H new ATOM 0 HA TRP A 22 -5.657 -10.042 5.896 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -6.731 -11.321 3.339 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -6.122 -12.233 4.707 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -7.727 -12.630 6.684 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.125 -11.893 7.302 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.441 -9.130 3.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -12.078 -10.009 6.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -10.572 -7.880 2.899 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -12.391 -8.312 4.528 1.00 0.00 H new ATOM 362 N LEU A 23 -3.476 -11.043 4.947 1.00 0.00 N ATOM 363 CA LEU A 23 -2.086 -11.316 4.467 1.00 0.00 C ATOM 364 C LEU A 23 -1.675 -12.703 4.956 1.00 0.00 C ATOM 365 O LEU A 23 -1.599 -12.953 6.140 1.00 0.00 O ATOM 366 CB LEU A 23 -1.146 -10.244 5.049 1.00 0.00 C ATOM 367 CG LEU A 23 0.359 -10.626 4.848 1.00 0.00 C ATOM 368 CD1 LEU A 23 1.149 -9.413 4.323 1.00 0.00 C ATOM 369 CD2 LEU A 23 0.987 -11.076 6.182 1.00 0.00 C ATOM 0 H LEU A 23 -3.699 -11.446 5.857 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.033 -11.284 3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.346 -9.285 4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.351 -10.118 6.112 1.00 0.00 H new ATOM 0 HG LEU A 23 0.404 -11.443 4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.194 -9.691 4.187 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.732 -9.092 3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.081 -8.596 5.041 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.033 -11.337 6.022 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.923 -10.264 6.907 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.450 -11.945 6.562 1.00 0.00 H new ATOM 381 N GLY A 24 -1.442 -13.621 4.061 1.00 0.00 N ATOM 382 CA GLY A 24 -1.070 -14.991 4.510 1.00 0.00 C ATOM 383 C GLY A 24 -2.246 -15.552 5.305 1.00 0.00 C ATOM 384 O GLY A 24 -2.079 -16.204 6.315 1.00 0.00 O ATOM 0 H GLY A 24 -1.492 -13.486 3.051 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.849 -15.628 3.653 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.171 -14.961 5.126 1.00 0.00 H new ATOM 388 N GLU A 25 -3.434 -15.282 4.839 1.00 0.00 N ATOM 389 CA GLU A 25 -4.660 -15.766 5.531 1.00 0.00 C ATOM 390 C GLU A 25 -4.786 -15.090 6.903 1.00 0.00 C ATOM 391 O GLU A 25 -5.766 -15.274 7.597 1.00 0.00 O ATOM 392 CB GLU A 25 -4.597 -17.297 5.698 1.00 0.00 C ATOM 393 CG GLU A 25 -6.007 -17.859 5.910 1.00 0.00 C ATOM 394 CD GLU A 25 -5.932 -19.378 6.080 1.00 0.00 C ATOM 395 OE1 GLU A 25 -5.733 -19.819 7.201 1.00 0.00 O ATOM 396 OE2 GLU A 25 -6.073 -20.073 5.088 1.00 0.00 O ATOM 0 H GLU A 25 -3.609 -14.738 3.994 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.534 -15.512 4.931 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.145 -17.749 4.815 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.963 -17.553 6.547 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.462 -17.406 6.791 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.641 -17.609 5.060 1.00 0.00 H new ATOM 403 N THR A 26 -3.809 -14.300 7.301 1.00 0.00 N ATOM 404 CA THR A 26 -3.889 -13.607 8.634 1.00 0.00 C ATOM 405 C THR A 26 -4.331 -12.158 8.431 1.00 0.00 C ATOM 406 O THR A 26 -3.918 -11.495 7.501 1.00 0.00 O ATOM 407 CB THR A 26 -2.518 -13.616 9.315 1.00 0.00 C ATOM 408 OG1 THR A 26 -1.584 -12.905 8.517 1.00 0.00 O ATOM 409 CG2 THR A 26 -2.040 -15.058 9.505 1.00 0.00 C ATOM 0 H THR A 26 -2.964 -14.106 6.763 1.00 0.00 H new ATOM 0 HA THR A 26 -4.609 -14.133 9.261 1.00 0.00 H new ATOM 0 HB THR A 26 -2.600 -13.136 10.290 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.436 -13.389 7.678 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.064 -15.057 9.990 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.753 -15.599 10.127 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.962 -15.546 8.534 1.00 0.00 H new ATOM 417 N ALA A 27 -5.177 -11.665 9.292 1.00 0.00 N ATOM 418 CA ALA A 27 -5.661 -10.262 9.151 1.00 0.00 C ATOM 419 C ALA A 27 -4.483 -9.289 9.243 1.00 0.00 C ATOM 420 O ALA A 27 -3.843 -9.166 10.268 1.00 0.00 O ATOM 421 CB ALA A 27 -6.659 -9.956 10.269 1.00 0.00 C ATOM 0 H ALA A 27 -5.556 -12.175 10.090 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.145 -10.147 8.181 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.015 -8.931 10.169 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.504 -10.642 10.200 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.171 -10.078 11.236 1.00 0.00 H new ATOM 427 N LEU A 28 -4.201 -8.586 8.178 1.00 0.00 N ATOM 428 CA LEU A 28 -3.074 -7.609 8.200 1.00 0.00 C ATOM 429 C LEU A 28 -3.511 -6.374 8.992 1.00 0.00 C ATOM 430 O LEU A 28 -4.546 -5.795 8.728 1.00 0.00 O ATOM 431 CB LEU A 28 -2.730 -7.214 6.758 1.00 0.00 C ATOM 432 CG LEU A 28 -1.452 -6.355 6.708 1.00 0.00 C ATOM 433 CD1 LEU A 28 -0.229 -7.154 7.215 1.00 0.00 C ATOM 434 CD2 LEU A 28 -1.216 -5.914 5.253 1.00 0.00 C ATOM 0 H LEU A 28 -4.704 -8.647 7.293 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.195 -8.049 8.671 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.592 -8.111 6.155 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.561 -6.661 6.321 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.579 -5.486 7.354 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.660 -6.526 7.170 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.400 -7.467 8.245 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.084 -8.034 6.588 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.314 -5.304 5.199 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.097 -6.794 4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.069 -5.331 4.907 1.00 0.00 H new ATOM 446 N ASP A 29 -2.739 -5.973 9.971 1.00 0.00 N ATOM 447 CA ASP A 29 -3.119 -4.781 10.795 1.00 0.00 C ATOM 448 C ASP A 29 -2.460 -3.518 10.237 1.00 0.00 C ATOM 449 O ASP A 29 -1.294 -3.263 10.466 1.00 0.00 O ATOM 450 CB ASP A 29 -2.648 -4.993 12.235 1.00 0.00 C ATOM 451 CG ASP A 29 -3.135 -6.353 12.742 1.00 0.00 C ATOM 452 OD1 ASP A 29 -3.845 -7.020 12.008 1.00 0.00 O ATOM 453 OD2 ASP A 29 -2.788 -6.705 13.858 1.00 0.00 O ATOM 0 H ASP A 29 -1.861 -6.419 10.237 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.202 -4.662 10.766 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.560 -4.944 12.283 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.031 -4.197 12.874 1.00 0.00 H new ATOM 458 N LEU A 30 -3.210 -2.725 9.509 1.00 0.00 N ATOM 459 CA LEU A 30 -2.665 -1.456 8.921 1.00 0.00 C ATOM 460 C LEU A 30 -3.595 -0.297 9.293 1.00 0.00 C ATOM 461 O LEU A 30 -4.802 -0.423 9.258 1.00 0.00 O ATOM 462 CB LEU A 30 -2.558 -1.600 7.390 1.00 0.00 C ATOM 463 CG LEU A 30 -3.945 -1.609 6.713 1.00 0.00 C ATOM 464 CD1 LEU A 30 -3.749 -1.785 5.203 1.00 0.00 C ATOM 465 CD2 LEU A 30 -4.809 -2.767 7.260 1.00 0.00 C ATOM 0 H LEU A 30 -4.191 -2.905 9.294 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.670 -1.255 9.317 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.964 -0.779 6.989 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.030 -2.523 7.148 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.456 -0.670 6.924 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.720 -1.794 4.709 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.152 -0.960 4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.235 -2.727 5.010 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.783 -2.757 6.771 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.313 -3.717 7.061 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.942 -2.646 8.335 1.00 0.00 H new ATOM 477 N THR A 31 -3.051 0.829 9.669 1.00 0.00 N ATOM 478 CA THR A 31 -3.928 1.971 10.056 1.00 0.00 C ATOM 479 C THR A 31 -4.772 2.405 8.842 1.00 0.00 C ATOM 480 O THR A 31 -4.346 2.250 7.715 1.00 0.00 O ATOM 481 CB THR A 31 -3.062 3.146 10.523 1.00 0.00 C ATOM 482 OG1 THR A 31 -2.058 3.406 9.554 1.00 0.00 O ATOM 483 CG2 THR A 31 -2.404 2.801 11.860 1.00 0.00 C ATOM 0 H THR A 31 -2.048 1.007 9.725 1.00 0.00 H new ATOM 0 HA THR A 31 -4.589 1.663 10.866 1.00 0.00 H new ATOM 0 HB THR A 31 -3.688 4.030 10.647 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.211 3.007 9.845 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.789 3.638 12.190 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.175 2.602 12.604 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.779 1.916 11.740 1.00 0.00 H new ATOM 491 N PRO A 32 -5.955 2.953 9.050 1.00 0.00 N ATOM 492 CA PRO A 32 -6.823 3.408 7.919 1.00 0.00 C ATOM 493 C PRO A 32 -6.036 4.191 6.857 1.00 0.00 C ATOM 494 O PRO A 32 -6.167 3.956 5.670 1.00 0.00 O ATOM 495 CB PRO A 32 -7.853 4.321 8.605 1.00 0.00 C ATOM 496 CG PRO A 32 -7.985 3.771 9.991 1.00 0.00 C ATOM 497 CD PRO A 32 -6.605 3.197 10.359 1.00 0.00 C ATOM 0 HA PRO A 32 -7.267 2.569 7.383 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.515 5.357 8.621 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.808 4.305 8.080 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.282 4.551 10.692 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.752 2.997 10.031 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.030 3.898 10.965 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.697 2.277 10.936 1.00 0.00 H new ATOM 505 N LYS A 33 -5.226 5.124 7.277 1.00 0.00 N ATOM 506 CA LYS A 33 -4.442 5.926 6.298 1.00 0.00 C ATOM 507 C LYS A 33 -3.666 4.990 5.368 1.00 0.00 C ATOM 508 O LYS A 33 -3.603 5.203 4.175 1.00 0.00 O ATOM 509 CB LYS A 33 -3.468 6.846 7.046 1.00 0.00 C ATOM 510 CG LYS A 33 -2.577 6.021 7.981 1.00 0.00 C ATOM 511 CD LYS A 33 -1.807 6.962 8.912 1.00 0.00 C ATOM 512 CE LYS A 33 -0.860 6.148 9.796 1.00 0.00 C ATOM 513 NZ LYS A 33 0.009 5.294 8.939 1.00 0.00 N ATOM 0 H LYS A 33 -5.074 5.365 8.256 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.123 6.535 5.703 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.852 7.393 6.333 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.024 7.587 7.621 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.185 5.331 8.566 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.881 5.418 7.399 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.241 7.687 8.326 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.503 7.527 9.532 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.248 6.815 10.402 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.432 5.527 10.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.963 5.246 9.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.393 4.336 8.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.064 5.703 7.984 1.00 0.00 H new ATOM 527 N GLU A 34 -3.081 3.953 5.900 1.00 0.00 N ATOM 528 CA GLU A 34 -2.317 3.010 5.035 1.00 0.00 C ATOM 529 C GLU A 34 -3.271 2.353 4.036 1.00 0.00 C ATOM 530 O GLU A 34 -2.918 2.096 2.902 1.00 0.00 O ATOM 531 CB GLU A 34 -1.669 1.932 5.903 1.00 0.00 C ATOM 532 CG GLU A 34 -0.555 2.557 6.743 1.00 0.00 C ATOM 533 CD GLU A 34 0.189 1.459 7.506 1.00 0.00 C ATOM 534 OE1 GLU A 34 0.132 0.321 7.071 1.00 0.00 O ATOM 535 OE2 GLU A 34 0.803 1.777 8.510 1.00 0.00 O ATOM 0 H GLU A 34 -3.098 3.718 6.892 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.542 3.556 4.496 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.416 1.475 6.552 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.264 1.139 5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.138 3.101 6.100 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.975 3.280 7.443 1.00 0.00 H new ATOM 542 N TYR A 35 -4.478 2.078 4.449 1.00 0.00 N ATOM 543 CA TYR A 35 -5.452 1.437 3.523 1.00 0.00 C ATOM 544 C TYR A 35 -5.613 2.312 2.274 1.00 0.00 C ATOM 545 O TYR A 35 -5.868 1.822 1.193 1.00 0.00 O ATOM 546 CB TYR A 35 -6.805 1.282 4.237 1.00 0.00 C ATOM 547 CG TYR A 35 -7.680 0.296 3.484 1.00 0.00 C ATOM 548 CD1 TYR A 35 -8.290 0.677 2.280 1.00 0.00 C ATOM 549 CD2 TYR A 35 -7.879 -0.998 3.986 1.00 0.00 C ATOM 550 CE1 TYR A 35 -9.093 -0.234 1.582 1.00 0.00 C ATOM 551 CE2 TYR A 35 -8.684 -1.905 3.287 1.00 0.00 C ATOM 552 CZ TYR A 35 -9.288 -1.524 2.086 1.00 0.00 C ATOM 553 OH TYR A 35 -10.072 -2.424 1.397 1.00 0.00 O ATOM 0 H TYR A 35 -4.831 2.270 5.387 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.090 0.453 3.226 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.649 0.936 5.259 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.304 2.249 4.301 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.141 1.673 1.891 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.411 -1.295 4.913 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.562 0.060 0.654 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.838 -2.900 3.676 1.00 0.00 H new ATOM 0 HH TYR A 35 -10.636 -2.917 2.029 1.00 0.00 H new ATOM 563 N ALA A 36 -5.464 3.603 2.415 1.00 0.00 N ATOM 564 CA ALA A 36 -5.611 4.503 1.231 1.00 0.00 C ATOM 565 C ALA A 36 -4.378 4.380 0.332 1.00 0.00 C ATOM 566 O ALA A 36 -4.480 4.118 -0.851 1.00 0.00 O ATOM 567 CB ALA A 36 -5.748 5.954 1.699 1.00 0.00 C ATOM 0 H ALA A 36 -5.248 4.072 3.294 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.501 4.213 0.673 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.855 6.607 0.833 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.627 6.049 2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.859 6.240 2.262 1.00 0.00 H new ATOM 573 N LEU A 37 -3.210 4.555 0.885 1.00 0.00 N ATOM 574 CA LEU A 37 -1.980 4.435 0.056 1.00 0.00 C ATOM 575 C LEU A 37 -1.914 3.005 -0.483 1.00 0.00 C ATOM 576 O LEU A 37 -1.546 2.767 -1.617 1.00 0.00 O ATOM 577 CB LEU A 37 -0.739 4.728 0.915 1.00 0.00 C ATOM 578 CG LEU A 37 -0.585 6.242 1.146 1.00 0.00 C ATOM 579 CD1 LEU A 37 -1.699 6.759 2.066 1.00 0.00 C ATOM 580 CD2 LEU A 37 0.775 6.515 1.797 1.00 0.00 C ATOM 0 H LEU A 37 -3.055 4.775 1.869 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.006 5.150 -0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.824 4.215 1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.151 4.337 0.422 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.652 6.756 0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.576 7.831 2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.669 6.567 1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.645 6.246 3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.890 7.586 1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.833 5.991 2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.570 6.162 1.140 1.00 0.00 H new ATOM 592 N LEU A 38 -2.274 2.053 0.333 1.00 0.00 N ATOM 593 CA LEU A 38 -2.245 0.631 -0.106 1.00 0.00 C ATOM 594 C LEU A 38 -3.277 0.413 -1.218 1.00 0.00 C ATOM 595 O LEU A 38 -2.998 -0.210 -2.222 1.00 0.00 O ATOM 596 CB LEU A 38 -2.586 -0.267 1.093 1.00 0.00 C ATOM 597 CG LEU A 38 -2.327 -1.757 0.752 1.00 0.00 C ATOM 598 CD1 LEU A 38 -0.840 -2.103 0.927 1.00 0.00 C ATOM 599 CD2 LEU A 38 -3.153 -2.650 1.686 1.00 0.00 C ATOM 0 H LEU A 38 -2.589 2.201 1.292 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.254 0.383 -0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.985 0.024 1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.631 -0.129 1.372 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.615 -1.926 -0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.680 -3.153 0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.241 -1.480 0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.543 -1.921 1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.970 -3.697 1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.865 -2.460 2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.213 -2.428 1.558 1.00 0.00 H new ATOM 611 N SER A 39 -4.470 0.912 -1.040 1.00 0.00 N ATOM 612 CA SER A 39 -5.524 0.724 -2.078 1.00 0.00 C ATOM 613 C SER A 39 -4.994 1.131 -3.456 1.00 0.00 C ATOM 614 O SER A 39 -5.417 0.604 -4.466 1.00 0.00 O ATOM 615 CB SER A 39 -6.744 1.578 -1.732 1.00 0.00 C ATOM 616 OG SER A 39 -6.374 2.949 -1.722 1.00 0.00 O ATOM 0 H SER A 39 -4.761 1.443 -0.219 1.00 0.00 H new ATOM 0 HA SER A 39 -5.806 -0.329 -2.103 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.538 1.410 -2.460 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.139 1.290 -0.758 1.00 0.00 H new ATOM 0 HG SER A 39 -5.529 3.056 -1.237 1.00 0.00 H new ATOM 622 N ARG A 40 -4.079 2.066 -3.519 1.00 0.00 N ATOM 623 CA ARG A 40 -3.548 2.490 -4.849 1.00 0.00 C ATOM 624 C ARG A 40 -2.512 1.479 -5.351 1.00 0.00 C ATOM 625 O ARG A 40 -2.426 1.207 -6.531 1.00 0.00 O ATOM 626 CB ARG A 40 -2.895 3.870 -4.717 1.00 0.00 C ATOM 627 CG ARG A 40 -2.535 4.425 -6.108 1.00 0.00 C ATOM 628 CD ARG A 40 -3.804 4.710 -6.939 1.00 0.00 C ATOM 629 NE ARG A 40 -3.532 5.830 -7.887 1.00 0.00 N ATOM 630 CZ ARG A 40 -3.557 7.067 -7.468 1.00 0.00 C ATOM 631 NH1 ARG A 40 -3.814 7.326 -6.215 1.00 0.00 N ATOM 632 NH2 ARG A 40 -3.323 8.044 -8.301 1.00 0.00 N ATOM 0 H ARG A 40 -3.680 2.550 -2.714 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.370 2.538 -5.563 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.575 4.555 -4.209 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.997 3.798 -4.103 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.955 5.341 -5.998 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.904 3.710 -6.636 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.101 3.817 -7.489 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.633 4.969 -6.281 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.326 5.629 -8.866 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.995 6.563 -5.563 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.834 8.292 -5.887 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.120 7.842 -9.280 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.343 9.010 -7.973 1.00 0.00 H new ATOM 646 N LEU A 41 -1.715 0.929 -4.475 1.00 0.00 N ATOM 647 CA LEU A 41 -0.683 -0.048 -4.928 1.00 0.00 C ATOM 648 C LEU A 41 -1.353 -1.282 -5.539 1.00 0.00 C ATOM 649 O LEU A 41 -0.875 -1.832 -6.512 1.00 0.00 O ATOM 650 CB LEU A 41 0.189 -0.480 -3.742 1.00 0.00 C ATOM 651 CG LEU A 41 1.010 0.709 -3.208 1.00 0.00 C ATOM 652 CD1 LEU A 41 1.671 0.308 -1.882 1.00 0.00 C ATOM 653 CD2 LEU A 41 2.109 1.113 -4.216 1.00 0.00 C ATOM 0 H LEU A 41 -1.733 1.112 -3.472 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.059 0.433 -5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.441 -0.879 -2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.860 -1.282 -4.050 1.00 0.00 H new ATOM 0 HG LEU A 41 0.341 1.557 -3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.254 1.145 -1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.901 0.040 -1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.328 -0.546 -2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.676 1.954 -3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.779 0.269 -4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.648 1.401 -5.161 1.00 0.00 H new ATOM 665 N MET A 42 -2.444 -1.735 -4.985 1.00 0.00 N ATOM 666 CA MET A 42 -3.113 -2.939 -5.552 1.00 0.00 C ATOM 667 C MET A 42 -3.640 -2.635 -6.954 1.00 0.00 C ATOM 668 O MET A 42 -3.516 -3.434 -7.862 1.00 0.00 O ATOM 669 CB MET A 42 -4.282 -3.338 -4.648 1.00 0.00 C ATOM 670 CG MET A 42 -3.757 -3.729 -3.264 1.00 0.00 C ATOM 671 SD MET A 42 -2.931 -5.335 -3.363 1.00 0.00 S ATOM 672 CE MET A 42 -3.024 -5.747 -1.604 1.00 0.00 C ATOM 0 H MET A 42 -2.899 -1.326 -4.169 1.00 0.00 H new ATOM 0 HA MET A 42 -2.392 -3.755 -5.611 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.985 -2.509 -4.560 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.827 -4.172 -5.090 1.00 0.00 H new ATOM 0 HG2 MET A 42 -3.062 -2.972 -2.900 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.580 -3.775 -2.551 1.00 0.00 H new ATOM 0 HE1 MET A 42 -2.532 -6.703 -1.428 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.528 -4.971 -1.022 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.069 -5.816 -1.301 1.00 0.00 H new ATOM 682 N MET A 43 -4.234 -1.491 -7.138 1.00 0.00 N ATOM 683 CA MET A 43 -4.777 -1.137 -8.478 1.00 0.00 C ATOM 684 C MET A 43 -3.648 -1.161 -9.509 1.00 0.00 C ATOM 685 O MET A 43 -3.856 -1.476 -10.664 1.00 0.00 O ATOM 686 CB MET A 43 -5.393 0.263 -8.428 1.00 0.00 C ATOM 687 CG MET A 43 -6.609 0.252 -7.500 1.00 0.00 C ATOM 688 SD MET A 43 -7.200 1.946 -7.261 1.00 0.00 S ATOM 689 CE MET A 43 -8.764 1.529 -6.453 1.00 0.00 C ATOM 0 H MET A 43 -4.368 -0.783 -6.416 1.00 0.00 H new ATOM 0 HA MET A 43 -5.543 -1.860 -8.761 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.657 0.983 -8.072 1.00 0.00 H new ATOM 0 HB3 MET A 43 -5.689 0.578 -9.429 1.00 0.00 H new ATOM 0 HG2 MET A 43 -7.400 -0.364 -7.927 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.343 -0.191 -6.540 1.00 0.00 H new ATOM 0 HE1 MET A 43 -9.304 2.444 -6.212 1.00 0.00 H new ATOM 0 HE2 MET A 43 -9.368 0.917 -7.123 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.563 0.974 -5.537 1.00 0.00 H new ATOM 699 N LYS A 44 -2.454 -0.824 -9.094 1.00 0.00 N ATOM 700 CA LYS A 44 -1.281 -0.812 -10.029 1.00 0.00 C ATOM 701 C LYS A 44 -0.377 -2.016 -9.730 1.00 0.00 C ATOM 702 O LYS A 44 0.830 -1.936 -9.829 1.00 0.00 O ATOM 703 CB LYS A 44 -0.494 0.490 -9.812 1.00 0.00 C ATOM 704 CG LYS A 44 -1.228 1.684 -10.469 1.00 0.00 C ATOM 705 CD LYS A 44 -0.853 1.801 -11.955 1.00 0.00 C ATOM 706 CE LYS A 44 -1.498 3.057 -12.544 1.00 0.00 C ATOM 707 NZ LYS A 44 -0.966 3.292 -13.916 1.00 0.00 N ATOM 0 H LYS A 44 -2.236 -0.553 -8.135 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.625 -0.871 -11.062 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.371 0.674 -8.745 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.506 0.392 -10.236 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.306 1.554 -10.370 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.969 2.607 -9.950 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.230 1.849 -12.065 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.190 0.917 -12.497 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.581 2.941 -12.577 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.289 3.918 -11.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.404 4.146 -14.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.065 3.421 -13.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.187 2.474 -14.519 1.00 0.00 H new ATOM 721 N ALA A 45 -0.952 -3.129 -9.362 1.00 0.00 N ATOM 722 CA ALA A 45 -0.126 -4.330 -9.056 1.00 0.00 C ATOM 723 C ALA A 45 0.468 -4.897 -10.349 1.00 0.00 C ATOM 724 O ALA A 45 -0.209 -5.552 -11.117 1.00 0.00 O ATOM 725 CB ALA A 45 -1.002 -5.392 -8.389 1.00 0.00 C ATOM 0 H ALA A 45 -1.959 -3.258 -9.260 1.00 0.00 H new ATOM 0 HA ALA A 45 0.684 -4.047 -8.384 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.399 -6.272 -8.164 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.419 -4.992 -7.465 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.813 -5.670 -9.062 1.00 0.00 H new ATOM 731 N GLY A 46 1.732 -4.654 -10.593 1.00 0.00 N ATOM 732 CA GLY A 46 2.388 -5.178 -11.836 1.00 0.00 C ATOM 733 C GLY A 46 3.388 -4.143 -12.357 1.00 0.00 C ATOM 734 O GLY A 46 4.240 -4.445 -13.169 1.00 0.00 O ATOM 0 H GLY A 46 2.343 -4.112 -9.982 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.898 -6.118 -11.623 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.636 -5.388 -12.596 1.00 0.00 H new ATOM 738 N SER A 47 3.277 -2.921 -11.897 1.00 0.00 N ATOM 739 CA SER A 47 4.205 -1.831 -12.354 1.00 0.00 C ATOM 740 C SER A 47 4.677 -1.040 -11.127 1.00 0.00 C ATOM 741 O SER A 47 4.009 -1.016 -10.112 1.00 0.00 O ATOM 742 CB SER A 47 3.440 -0.902 -13.313 1.00 0.00 C ATOM 743 OG SER A 47 3.866 0.443 -13.128 1.00 0.00 O ATOM 0 H SER A 47 2.576 -2.626 -11.217 1.00 0.00 H new ATOM 0 HA SER A 47 5.069 -2.253 -12.868 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.612 -1.208 -14.345 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.368 -0.981 -13.132 1.00 0.00 H new ATOM 0 HG SER A 47 3.376 1.029 -13.742 1.00 0.00 H new ATOM 749 N PRO A 48 5.817 -0.392 -11.210 1.00 0.00 N ATOM 750 CA PRO A 48 6.356 0.406 -10.070 1.00 0.00 C ATOM 751 C PRO A 48 5.531 1.674 -9.831 1.00 0.00 C ATOM 752 O PRO A 48 5.399 2.514 -10.699 1.00 0.00 O ATOM 753 CB PRO A 48 7.790 0.746 -10.517 1.00 0.00 C ATOM 754 CG PRO A 48 7.722 0.753 -12.012 1.00 0.00 C ATOM 755 CD PRO A 48 6.715 -0.341 -12.382 1.00 0.00 C ATOM 0 HA PRO A 48 6.323 -0.135 -9.124 1.00 0.00 H new ATOM 0 HB2 PRO A 48 8.108 1.714 -10.129 1.00 0.00 H new ATOM 0 HB3 PRO A 48 8.505 0.007 -10.155 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.400 1.725 -12.385 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.699 0.551 -12.450 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.171 -0.095 -13.294 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.207 -1.299 -12.553 1.00 0.00 H new ATOM 763 N VAL A 49 4.969 1.816 -8.658 1.00 0.00 N ATOM 764 CA VAL A 49 4.146 3.021 -8.353 1.00 0.00 C ATOM 765 C VAL A 49 5.025 4.104 -7.732 1.00 0.00 C ATOM 766 O VAL A 49 5.833 3.839 -6.868 1.00 0.00 O ATOM 767 CB VAL A 49 3.048 2.645 -7.362 1.00 0.00 C ATOM 768 CG1 VAL A 49 2.201 3.881 -7.038 1.00 0.00 C ATOM 769 CG2 VAL A 49 2.162 1.565 -7.981 1.00 0.00 C ATOM 0 H VAL A 49 5.046 1.144 -7.895 1.00 0.00 H new ATOM 0 HA VAL A 49 3.703 3.395 -9.276 1.00 0.00 H new ATOM 0 HB VAL A 49 3.498 2.268 -6.443 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.418 3.610 -6.330 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.835 4.652 -6.600 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.747 4.261 -7.953 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.375 1.292 -7.277 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.712 1.945 -8.898 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.765 0.686 -8.209 1.00 0.00 H new ATOM 779 N HIS A 50 4.861 5.329 -8.150 1.00 0.00 N ATOM 780 CA HIS A 50 5.678 6.425 -7.565 1.00 0.00 C ATOM 781 C HIS A 50 5.185 6.695 -6.140 1.00 0.00 C ATOM 782 O HIS A 50 4.024 6.976 -5.918 1.00 0.00 O ATOM 783 CB HIS A 50 5.526 7.686 -8.421 1.00 0.00 C ATOM 784 CG HIS A 50 6.549 8.723 -8.026 1.00 0.00 C ATOM 785 ND1 HIS A 50 7.633 8.690 -7.174 1.00 0.00 N flip ATOM 786 CD2 HIS A 50 6.520 10.011 -8.544 1.00 0.00 C flip ATOM 787 CE1 HIS A 50 8.256 9.931 -7.171 1.00 0.00 C flip ATOM 788 NE2 HIS A 50 7.551 10.691 -8.010 1.00 0.00 N flip ATOM 0 H HIS A 50 4.198 5.616 -8.870 1.00 0.00 H new ATOM 0 HA HIS A 50 6.730 6.141 -7.541 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.645 7.433 -9.475 1.00 0.00 H new ATOM 0 HB3 HIS A 50 4.522 8.094 -8.302 1.00 0.00 H new ATOM 0 HD2 HIS A 50 5.799 10.398 -9.249 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.130 10.221 -6.606 1.00 0.00 H new ATOM 0 HE2 HIS A 50 7.766 11.666 -8.220 1.00 0.00 H new ATOM 797 N ARG A 51 6.057 6.608 -5.175 1.00 0.00 N ATOM 798 CA ARG A 51 5.648 6.852 -3.763 1.00 0.00 C ATOM 799 C ARG A 51 4.944 8.202 -3.674 1.00 0.00 C ATOM 800 O ARG A 51 4.279 8.511 -2.705 1.00 0.00 O ATOM 801 CB ARG A 51 6.886 6.856 -2.858 1.00 0.00 C ATOM 802 CG ARG A 51 7.965 7.762 -3.458 1.00 0.00 C ATOM 803 CD ARG A 51 9.078 7.984 -2.432 1.00 0.00 C ATOM 804 NE ARG A 51 10.220 8.688 -3.081 1.00 0.00 N ATOM 805 CZ ARG A 51 11.179 9.188 -2.351 1.00 0.00 C ATOM 806 NH1 ARG A 51 11.139 9.074 -1.051 1.00 0.00 N ATOM 807 NH2 ARG A 51 12.180 9.803 -2.921 1.00 0.00 N ATOM 0 H ARG A 51 7.042 6.377 -5.304 1.00 0.00 H new ATOM 0 HA ARG A 51 4.971 6.062 -3.437 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.618 7.206 -1.861 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.270 5.842 -2.747 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.374 7.308 -4.361 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.530 8.718 -3.750 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.703 8.572 -1.595 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.409 7.028 -2.027 1.00 0.00 H new ATOM 0 HE ARG A 51 10.252 8.779 -4.096 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.358 8.594 -0.605 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.889 9.465 -0.481 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.212 9.892 -3.937 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.930 10.194 -2.351 1.00 0.00 H new ATOM 821 N GLU A 52 5.093 9.008 -4.683 1.00 0.00 N ATOM 822 CA GLU A 52 4.444 10.341 -4.673 1.00 0.00 C ATOM 823 C GLU A 52 2.927 10.179 -4.796 1.00 0.00 C ATOM 824 O GLU A 52 2.176 10.762 -4.041 1.00 0.00 O ATOM 825 CB GLU A 52 4.971 11.168 -5.850 1.00 0.00 C ATOM 826 CG GLU A 52 4.545 12.628 -5.683 1.00 0.00 C ATOM 827 CD GLU A 52 4.852 13.402 -6.968 1.00 0.00 C ATOM 828 OE1 GLU A 52 5.929 13.211 -7.508 1.00 0.00 O ATOM 829 OE2 GLU A 52 4.003 14.171 -7.389 1.00 0.00 O ATOM 0 H GLU A 52 5.640 8.799 -5.518 1.00 0.00 H new ATOM 0 HA GLU A 52 4.673 10.850 -3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.058 11.099 -5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.584 10.771 -6.789 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.480 12.683 -5.459 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.072 13.077 -4.841 1.00 0.00 H new ATOM 836 N ILE A 53 2.465 9.389 -5.730 1.00 0.00 N ATOM 837 CA ILE A 53 0.992 9.201 -5.891 1.00 0.00 C ATOM 838 C ILE A 53 0.384 8.677 -4.590 1.00 0.00 C ATOM 839 O ILE A 53 -0.752 8.962 -4.268 1.00 0.00 O ATOM 840 CB ILE A 53 0.726 8.202 -7.022 1.00 0.00 C ATOM 841 CG1 ILE A 53 1.348 8.725 -8.321 1.00 0.00 C ATOM 842 CG2 ILE A 53 -0.784 8.035 -7.216 1.00 0.00 C ATOM 843 CD1 ILE A 53 1.330 7.620 -9.380 1.00 0.00 C ATOM 0 H ILE A 53 3.043 8.866 -6.388 1.00 0.00 H new ATOM 0 HA ILE A 53 0.534 10.160 -6.135 1.00 0.00 H new ATOM 0 HB ILE A 53 1.168 7.240 -6.765 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.794 9.593 -8.678 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.372 9.052 -8.140 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.971 7.324 -8.021 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.231 7.664 -6.293 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.227 8.998 -7.472 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.773 7.994 -10.303 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.903 6.764 -9.023 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.301 7.314 -9.569 1.00 0.00 H new ATOM 855 N LEU A 54 1.134 7.936 -3.826 1.00 0.00 N ATOM 856 CA LEU A 54 0.593 7.424 -2.536 1.00 0.00 C ATOM 857 C LEU A 54 0.390 8.621 -1.607 1.00 0.00 C ATOM 858 O LEU A 54 -0.646 8.800 -1.010 1.00 0.00 O ATOM 859 CB LEU A 54 1.593 6.442 -1.914 1.00 0.00 C ATOM 860 CG LEU A 54 2.093 5.465 -2.983 1.00 0.00 C ATOM 861 CD1 LEU A 54 3.038 4.447 -2.336 1.00 0.00 C ATOM 862 CD2 LEU A 54 0.901 4.734 -3.619 1.00 0.00 C ATOM 0 H LEU A 54 2.094 7.663 -4.036 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.352 6.904 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.434 6.987 -1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.120 5.894 -1.100 1.00 0.00 H new ATOM 0 HG LEU A 54 2.626 6.016 -3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.396 3.750 -3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.886 4.969 -1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.505 3.897 -1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.262 4.041 -4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.361 4.181 -2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.232 5.461 -4.080 1.00 0.00 H new ATOM 874 N TYR A 55 1.386 9.446 -1.502 1.00 0.00 N ATOM 875 CA TYR A 55 1.271 10.647 -0.628 1.00 0.00 C ATOM 876 C TYR A 55 0.034 11.450 -1.049 1.00 0.00 C ATOM 877 O TYR A 55 -0.653 12.028 -0.235 1.00 0.00 O ATOM 878 CB TYR A 55 2.531 11.510 -0.776 1.00 0.00 C ATOM 879 CG TYR A 55 2.587 12.532 0.344 1.00 0.00 C ATOM 880 CD1 TYR A 55 2.789 12.105 1.662 1.00 0.00 C ATOM 881 CD2 TYR A 55 2.441 13.901 0.068 1.00 0.00 C ATOM 882 CE1 TYR A 55 2.845 13.040 2.702 1.00 0.00 C ATOM 883 CE2 TYR A 55 2.497 14.834 1.109 1.00 0.00 C ATOM 884 CZ TYR A 55 2.698 14.404 2.426 1.00 0.00 C ATOM 885 OH TYR A 55 2.754 15.326 3.452 1.00 0.00 O ATOM 0 H TYR A 55 2.279 9.344 -1.984 1.00 0.00 H new ATOM 0 HA TYR A 55 1.171 10.343 0.414 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.420 10.880 -0.751 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.526 12.015 -1.742 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.902 11.053 1.877 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.286 14.234 -0.948 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.002 12.709 3.718 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.385 15.887 0.896 1.00 0.00 H new ATOM 0 HH TYR A 55 1.858 15.453 3.827 1.00 0.00 H new ATOM 895 N ASN A 56 -0.248 11.482 -2.321 1.00 0.00 N ATOM 896 CA ASN A 56 -1.427 12.241 -2.821 1.00 0.00 C ATOM 897 C ASN A 56 -2.727 11.585 -2.341 1.00 0.00 C ATOM 898 O ASN A 56 -3.766 12.215 -2.289 1.00 0.00 O ATOM 899 CB ASN A 56 -1.404 12.262 -4.353 1.00 0.00 C ATOM 900 CG ASN A 56 -0.207 13.084 -4.841 1.00 0.00 C ATOM 901 OD1 ASN A 56 -0.293 14.289 -4.963 1.00 0.00 O ATOM 902 ND2 ASN A 56 0.914 12.477 -5.130 1.00 0.00 N ATOM 0 H ASN A 56 0.295 11.009 -3.044 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.382 13.259 -2.434 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.340 11.245 -4.739 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.331 12.690 -4.734 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.716 13.016 -5.458 1.00 0.00 H new ATOM 0 HD22 ASN A 56 0.987 11.465 -5.028 1.00 0.00 H new ATOM 909 N ASP A 57 -2.682 10.327 -1.999 1.00 0.00 N ATOM 910 CA ASP A 57 -3.925 9.650 -1.535 1.00 0.00 C ATOM 911 C ASP A 57 -4.565 10.468 -0.412 1.00 0.00 C ATOM 912 O ASP A 57 -5.742 10.765 -0.445 1.00 0.00 O ATOM 913 CB ASP A 57 -3.607 8.244 -1.029 1.00 0.00 C ATOM 914 CG ASP A 57 -3.195 7.359 -2.207 1.00 0.00 C ATOM 915 OD1 ASP A 57 -2.511 7.858 -3.084 1.00 0.00 O ATOM 916 OD2 ASP A 57 -3.579 6.202 -2.216 1.00 0.00 O ATOM 0 H ASP A 57 -1.846 9.743 -2.020 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.618 9.573 -2.372 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.805 8.284 -0.292 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.478 7.820 -0.529 1.00 0.00 H new ATOM 921 N ILE A 58 -3.796 10.818 0.593 1.00 0.00 N ATOM 922 CA ILE A 58 -4.344 11.604 1.751 1.00 0.00 C ATOM 923 C ILE A 58 -3.840 13.053 1.715 1.00 0.00 C ATOM 924 O ILE A 58 -4.545 13.964 2.102 1.00 0.00 O ATOM 925 CB ILE A 58 -3.889 10.942 3.057 1.00 0.00 C ATOM 926 CG1 ILE A 58 -4.152 9.433 2.974 1.00 0.00 C ATOM 927 CG2 ILE A 58 -4.666 11.534 4.238 1.00 0.00 C ATOM 928 CD1 ILE A 58 -3.766 8.767 4.296 1.00 0.00 C ATOM 0 H ILE A 58 -2.804 10.592 0.663 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.432 11.616 1.687 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.824 11.123 3.205 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.204 9.249 2.757 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.577 8.999 2.156 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.339 11.060 5.163 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.481 12.607 4.295 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.732 11.357 4.097 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.955 7.695 4.232 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.708 8.938 4.494 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.360 9.192 5.105 1.00 0.00 H new ATOM 940 N TYR A 59 -2.627 13.279 1.270 1.00 0.00 N ATOM 941 CA TYR A 59 -2.082 14.680 1.231 1.00 0.00 C ATOM 942 C TYR A 59 -2.255 15.274 -0.166 1.00 0.00 C ATOM 943 O TYR A 59 -1.396 15.144 -1.016 1.00 0.00 O ATOM 944 CB TYR A 59 -0.594 14.663 1.591 1.00 0.00 C ATOM 945 CG TYR A 59 -0.427 14.217 3.026 1.00 0.00 C ATOM 946 CD1 TYR A 59 -0.454 15.161 4.060 1.00 0.00 C ATOM 947 CD2 TYR A 59 -0.248 12.861 3.323 1.00 0.00 C ATOM 948 CE1 TYR A 59 -0.301 14.750 5.388 1.00 0.00 C ATOM 949 CE2 TYR A 59 -0.093 12.449 4.652 1.00 0.00 C ATOM 950 CZ TYR A 59 -0.120 13.393 5.685 1.00 0.00 C ATOM 951 OH TYR A 59 0.031 12.988 6.995 1.00 0.00 O ATOM 0 H TYR A 59 -1.990 12.558 0.932 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.628 15.290 1.950 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.055 13.989 0.925 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.165 15.656 1.455 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.593 16.207 3.832 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.229 12.132 2.526 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.322 15.479 6.185 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.047 11.403 4.880 1.00 0.00 H new ATOM 0 HH TYR A 59 0.145 12.015 7.026 1.00 0.00 H new ATOM 961 N SER A 60 -3.353 15.937 -0.406 1.00 0.00 N ATOM 962 CA SER A 60 -3.573 16.553 -1.743 1.00 0.00 C ATOM 963 C SER A 60 -2.688 17.794 -1.871 1.00 0.00 C ATOM 964 O SER A 60 -3.164 18.884 -2.117 1.00 0.00 O ATOM 965 CB SER A 60 -5.042 16.956 -1.887 1.00 0.00 C ATOM 966 OG SER A 60 -5.865 15.827 -1.623 1.00 0.00 O ATOM 0 H SER A 60 -4.107 16.078 0.267 1.00 0.00 H new ATOM 0 HA SER A 60 -3.320 15.836 -2.524 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.279 17.764 -1.195 1.00 0.00 H new ATOM 0 HB3 SER A 60 -5.231 17.332 -2.892 1.00 0.00 H new ATOM 0 HG SER A 60 -6.807 16.081 -1.712 1.00 0.00 H new ATOM 972 N TRP A 61 -1.403 17.632 -1.694 1.00 0.00 N ATOM 973 CA TRP A 61 -0.470 18.793 -1.792 1.00 0.00 C ATOM 974 C TRP A 61 -0.829 19.832 -0.727 1.00 0.00 C ATOM 975 O TRP A 61 -0.913 21.013 -1.000 1.00 0.00 O ATOM 976 CB TRP A 61 -0.563 19.423 -3.190 1.00 0.00 C ATOM 977 CG TRP A 61 -0.613 18.343 -4.221 1.00 0.00 C ATOM 978 CD1 TRP A 61 0.417 17.525 -4.540 1.00 0.00 C ATOM 979 CD2 TRP A 61 -1.727 17.950 -5.074 1.00 0.00 C ATOM 980 NE1 TRP A 61 0.006 16.655 -5.534 1.00 0.00 N ATOM 981 CE2 TRP A 61 -1.307 16.877 -5.896 1.00 0.00 C ATOM 982 CE3 TRP A 61 -3.047 18.415 -5.212 1.00 0.00 C ATOM 983 CZ2 TRP A 61 -2.168 16.287 -6.823 1.00 0.00 C ATOM 984 CZ3 TRP A 61 -3.915 17.823 -6.144 1.00 0.00 C ATOM 985 CH2 TRP A 61 -3.476 16.762 -6.947 1.00 0.00 C ATOM 0 H TRP A 61 -0.957 16.739 -1.484 1.00 0.00 H new ATOM 0 HA TRP A 61 0.551 18.448 -1.627 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.453 20.049 -3.260 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.296 20.070 -3.367 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.399 17.548 -4.092 1.00 0.00 H new ATOM 0 HE1 TRP A 61 0.601 15.937 -5.949 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.395 19.232 -4.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -1.825 15.469 -7.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -4.927 18.188 -6.242 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -4.149 16.311 -7.662 1.00 0.00 H new ATOM 996 N ASP A 62 -1.039 19.402 0.489 1.00 0.00 N ATOM 997 CA ASP A 62 -1.390 20.362 1.576 1.00 0.00 C ATOM 998 C ASP A 62 -0.117 21.056 2.069 1.00 0.00 C ATOM 999 O ASP A 62 0.366 21.991 1.461 1.00 0.00 O ATOM 1000 CB ASP A 62 -2.042 19.600 2.734 1.00 0.00 C ATOM 1001 CG ASP A 62 -2.338 20.567 3.883 1.00 0.00 C ATOM 1002 OD1 ASP A 62 -2.638 21.716 3.601 1.00 0.00 O ATOM 1003 OD2 ASP A 62 -2.261 20.142 5.023 1.00 0.00 O ATOM 0 H ASP A 62 -0.982 18.425 0.777 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.087 21.109 1.196 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.964 19.126 2.397 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.381 18.804 3.077 1.00 0.00 H new ATOM 1008 N ASN A 63 0.432 20.609 3.167 1.00 0.00 N ATOM 1009 CA ASN A 63 1.673 21.245 3.698 1.00 0.00 C ATOM 1010 C ASN A 63 2.874 20.784 2.872 1.00 0.00 C ATOM 1011 O ASN A 63 3.761 21.554 2.561 1.00 0.00 O ATOM 1012 CB ASN A 63 1.871 20.835 5.159 1.00 0.00 C ATOM 1013 CG ASN A 63 0.627 21.211 5.967 1.00 0.00 C ATOM 1014 OD1 ASN A 63 -0.267 21.859 5.462 1.00 0.00 O ATOM 1015 ND2 ASN A 63 0.533 20.828 7.211 1.00 0.00 N ATOM 0 H ASN A 63 0.074 19.830 3.720 1.00 0.00 H new ATOM 0 HA ASN A 63 1.582 22.329 3.634 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.050 19.762 5.226 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.749 21.331 5.571 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -0.292 21.073 7.759 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.284 20.284 7.635 1.00 0.00 H new ATOM 1022 N GLU A 64 2.911 19.530 2.516 1.00 0.00 N ATOM 1023 CA GLU A 64 4.052 19.013 1.710 1.00 0.00 C ATOM 1024 C GLU A 64 5.373 19.363 2.405 1.00 0.00 C ATOM 1025 O GLU A 64 6.129 20.188 1.932 1.00 0.00 O ATOM 1026 CB GLU A 64 4.023 19.647 0.319 1.00 0.00 C ATOM 1027 CG GLU A 64 5.035 18.941 -0.587 1.00 0.00 C ATOM 1028 CD GLU A 64 4.987 19.561 -1.986 1.00 0.00 C ATOM 1029 OE1 GLU A 64 4.458 20.652 -2.111 1.00 0.00 O ATOM 1030 OE2 GLU A 64 5.481 18.932 -2.907 1.00 0.00 O ATOM 0 H GLU A 64 2.198 18.839 2.749 1.00 0.00 H new ATOM 0 HA GLU A 64 3.968 17.930 1.617 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.022 19.570 -0.106 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.259 20.709 0.387 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.038 19.033 -0.171 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.809 17.876 -0.642 1.00 0.00 H new ATOM 1037 N PRO A 65 5.649 18.737 3.522 1.00 0.00 N ATOM 1038 CA PRO A 65 6.903 18.985 4.296 1.00 0.00 C ATOM 1039 C PRO A 65 8.145 19.024 3.395 1.00 0.00 C ATOM 1040 O PRO A 65 8.121 18.572 2.268 1.00 0.00 O ATOM 1041 CB PRO A 65 6.956 17.794 5.266 1.00 0.00 C ATOM 1042 CG PRO A 65 5.519 17.448 5.504 1.00 0.00 C ATOM 1043 CD PRO A 65 4.800 17.722 4.175 1.00 0.00 C ATOM 0 HA PRO A 65 6.898 19.953 4.797 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.502 16.954 4.836 1.00 0.00 H new ATOM 0 HB3 PRO A 65 7.461 18.059 6.195 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.411 16.404 5.799 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.099 18.052 6.308 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.718 16.819 3.570 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.787 18.091 4.336 1.00 0.00 H new ATOM 1051 N ALA A 66 9.228 19.565 3.885 1.00 0.00 N ATOM 1052 CA ALA A 66 10.468 19.636 3.059 1.00 0.00 C ATOM 1053 C ALA A 66 11.124 18.253 2.997 1.00 0.00 C ATOM 1054 O ALA A 66 11.427 17.747 1.936 1.00 0.00 O ATOM 1055 CB ALA A 66 11.442 20.633 3.688 1.00 0.00 C ATOM 0 H ALA A 66 9.308 19.961 4.822 1.00 0.00 H new ATOM 0 HA ALA A 66 10.213 19.961 2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 66 12.349 20.686 3.085 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.977 21.618 3.731 1.00 0.00 H new ATOM 0 HB3 ALA A 66 11.695 20.307 4.697 1.00 0.00 H new ATOM 1061 N THR A 67 11.347 17.641 4.129 1.00 0.00 N ATOM 1062 CA THR A 67 11.984 16.294 4.135 1.00 0.00 C ATOM 1063 C THR A 67 12.038 15.762 5.569 1.00 0.00 C ATOM 1064 O THR A 67 11.689 16.449 6.509 1.00 0.00 O ATOM 1065 CB THR A 67 13.407 16.398 3.577 1.00 0.00 C ATOM 1066 OG1 THR A 67 14.141 15.236 3.937 1.00 0.00 O ATOM 1067 CG2 THR A 67 14.095 17.637 4.154 1.00 0.00 C ATOM 0 H THR A 67 11.115 18.016 5.049 1.00 0.00 H new ATOM 0 HA THR A 67 11.399 15.614 3.515 1.00 0.00 H new ATOM 0 HB THR A 67 13.366 16.481 2.491 1.00 0.00 H new ATOM 0 HG1 THR A 67 15.051 15.300 3.579 1.00 0.00 H new ATOM 0 HG21 THR A 67 15.107 17.710 3.756 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.532 18.528 3.877 1.00 0.00 H new ATOM 0 HG23 THR A 67 14.137 17.557 5.240 1.00 0.00 H new ATOM 1075 N ASN A 68 12.471 14.542 5.746 1.00 0.00 N ATOM 1076 CA ASN A 68 12.547 13.966 7.120 1.00 0.00 C ATOM 1077 C ASN A 68 11.196 14.131 7.820 1.00 0.00 C ATOM 1078 O ASN A 68 11.088 14.791 8.835 1.00 0.00 O ATOM 1079 CB ASN A 68 13.627 14.697 7.920 1.00 0.00 C ATOM 1080 CG ASN A 68 13.823 14.001 9.268 1.00 0.00 C ATOM 1081 OD1 ASN A 68 14.406 12.936 9.336 1.00 0.00 O ATOM 1082 ND2 ASN A 68 13.359 14.560 10.351 1.00 0.00 N ATOM 0 H ASN A 68 12.775 13.919 4.998 1.00 0.00 H new ATOM 0 HA ASN A 68 12.795 12.907 7.055 1.00 0.00 H new ATOM 0 HB2 ASN A 68 14.564 14.705 7.363 1.00 0.00 H new ATOM 0 HB3 ASN A 68 13.339 15.737 8.074 1.00 0.00 H new ATOM 0 HD21 ASN A 68 13.485 14.104 11.255 1.00 0.00 H new ATOM 0 HD22 ASN A 68 12.870 15.453 10.294 1.00 0.00 H new ATOM 1089 N THR A 69 10.164 13.536 7.286 1.00 0.00 N ATOM 1090 CA THR A 69 8.821 13.660 7.919 1.00 0.00 C ATOM 1091 C THR A 69 7.879 12.615 7.320 1.00 0.00 C ATOM 1092 O THR A 69 7.588 11.604 7.927 1.00 0.00 O ATOM 1093 CB THR A 69 8.259 15.059 7.656 1.00 0.00 C ATOM 1094 OG1 THR A 69 9.148 16.033 8.185 1.00 0.00 O ATOM 1095 CG2 THR A 69 6.892 15.198 8.329 1.00 0.00 C ATOM 0 H THR A 69 10.193 12.969 6.438 1.00 0.00 H new ATOM 0 HA THR A 69 8.910 13.500 8.993 1.00 0.00 H new ATOM 0 HB THR A 69 8.150 15.209 6.582 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.677 15.635 8.908 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.493 16.195 8.141 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.209 14.452 7.923 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.998 15.047 9.403 1.00 0.00 H new ATOM 1103 N LEU A 70 7.397 12.856 6.134 1.00 0.00 N ATOM 1104 CA LEU A 70 6.471 11.883 5.492 1.00 0.00 C ATOM 1105 C LEU A 70 7.224 10.593 5.166 1.00 0.00 C ATOM 1106 O LEU A 70 6.694 9.508 5.292 1.00 0.00 O ATOM 1107 CB LEU A 70 5.896 12.498 4.204 1.00 0.00 C ATOM 1108 CG LEU A 70 7.035 12.825 3.187 1.00 0.00 C ATOM 1109 CD1 LEU A 70 7.127 11.737 2.104 1.00 0.00 C ATOM 1110 CD2 LEU A 70 6.758 14.169 2.494 1.00 0.00 C ATOM 0 H LEU A 70 7.605 13.687 5.580 1.00 0.00 H new ATOM 0 HA LEU A 70 5.654 11.652 6.175 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.186 11.806 3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.345 13.407 4.445 1.00 0.00 H new ATOM 0 HG LEU A 70 7.972 12.872 3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.927 11.985 1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.338 10.775 2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.181 11.679 1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.559 14.386 1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.809 14.115 1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.709 14.961 3.242 1.00 0.00 H new ATOM 1122 N GLU A 71 8.454 10.696 4.739 1.00 0.00 N ATOM 1123 CA GLU A 71 9.230 9.470 4.399 1.00 0.00 C ATOM 1124 C GLU A 71 9.364 8.581 5.634 1.00 0.00 C ATOM 1125 O GLU A 71 9.400 7.370 5.537 1.00 0.00 O ATOM 1126 CB GLU A 71 10.622 9.870 3.906 1.00 0.00 C ATOM 1127 CG GLU A 71 10.497 10.636 2.587 1.00 0.00 C ATOM 1128 CD GLU A 71 11.875 11.146 2.161 1.00 0.00 C ATOM 1129 OE1 GLU A 71 12.737 11.255 3.017 1.00 0.00 O ATOM 1130 OE2 GLU A 71 12.045 11.420 0.984 1.00 0.00 O ATOM 0 H GLU A 71 8.954 11.576 4.611 1.00 0.00 H new ATOM 0 HA GLU A 71 8.708 8.920 3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.120 10.489 4.652 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.239 8.982 3.766 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.083 9.987 1.815 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.808 11.472 2.704 1.00 0.00 H new ATOM 1137 N VAL A 72 9.441 9.166 6.797 1.00 0.00 N ATOM 1138 CA VAL A 72 9.575 8.343 8.030 1.00 0.00 C ATOM 1139 C VAL A 72 8.260 7.621 8.304 1.00 0.00 C ATOM 1140 O VAL A 72 8.241 6.465 8.675 1.00 0.00 O ATOM 1141 CB VAL A 72 9.917 9.245 9.212 1.00 0.00 C ATOM 1142 CG1 VAL A 72 10.300 8.388 10.419 1.00 0.00 C ATOM 1143 CG2 VAL A 72 11.089 10.155 8.838 1.00 0.00 C ATOM 0 H VAL A 72 9.417 10.175 6.946 1.00 0.00 H new ATOM 0 HA VAL A 72 10.370 7.610 7.892 1.00 0.00 H new ATOM 0 HB VAL A 72 9.049 9.855 9.464 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.544 9.035 11.262 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.464 7.743 10.687 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.166 7.775 10.170 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.333 10.799 9.683 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.956 9.546 8.584 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.814 10.769 7.981 1.00 0.00 H new ATOM 1153 N HIS A 73 7.156 8.286 8.101 1.00 0.00 N ATOM 1154 CA HIS A 73 5.843 7.620 8.329 1.00 0.00 C ATOM 1155 C HIS A 73 5.812 6.357 7.473 1.00 0.00 C ATOM 1156 O HIS A 73 5.315 5.323 7.873 1.00 0.00 O ATOM 1157 CB HIS A 73 4.707 8.558 7.912 1.00 0.00 C ATOM 1158 CG HIS A 73 4.616 9.699 8.887 1.00 0.00 C ATOM 1159 ND1 HIS A 73 5.692 10.534 9.154 1.00 0.00 N ATOM 1160 CD2 HIS A 73 3.583 10.158 9.667 1.00 0.00 C ATOM 1161 CE1 HIS A 73 5.287 11.443 10.060 1.00 0.00 C ATOM 1162 NE2 HIS A 73 4.011 11.257 10.404 1.00 0.00 N ATOM 0 H HIS A 73 7.106 9.256 7.789 1.00 0.00 H new ATOM 0 HA HIS A 73 5.716 7.372 9.383 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.886 8.938 6.906 1.00 0.00 H new ATOM 0 HB3 HIS A 73 3.763 8.013 7.884 1.00 0.00 H new ATOM 0 HD1 HIS A 73 6.621 10.470 8.739 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.591 9.731 9.703 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.916 12.225 10.459 1.00 0.00 H new ATOM 1171 N ILE A 74 6.362 6.445 6.295 1.00 0.00 N ATOM 1172 CA ILE A 74 6.393 5.261 5.400 1.00 0.00 C ATOM 1173 C ILE A 74 7.287 4.204 6.036 1.00 0.00 C ATOM 1174 O ILE A 74 6.995 3.027 5.996 1.00 0.00 O ATOM 1175 CB ILE A 74 6.934 5.655 4.023 1.00 0.00 C ATOM 1176 CG1 ILE A 74 6.028 6.739 3.424 1.00 0.00 C ATOM 1177 CG2 ILE A 74 6.943 4.423 3.105 1.00 0.00 C ATOM 1178 CD1 ILE A 74 6.600 7.235 2.092 1.00 0.00 C ATOM 0 H ILE A 74 6.792 7.288 5.915 1.00 0.00 H new ATOM 0 HA ILE A 74 5.386 4.865 5.268 1.00 0.00 H new ATOM 0 HB ILE A 74 7.950 6.037 4.119 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.025 6.340 3.271 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.937 7.572 4.121 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.328 4.703 2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.579 3.651 3.538 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.928 4.040 3.000 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.947 8.004 1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.593 7.653 2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.668 6.402 1.392 1.00 0.00 H new ATOM 1190 N HIS A 75 8.376 4.611 6.626 1.00 0.00 N ATOM 1191 CA HIS A 75 9.277 3.613 7.264 1.00 0.00 C ATOM 1192 C HIS A 75 8.495 2.853 8.336 1.00 0.00 C ATOM 1193 O HIS A 75 8.679 1.668 8.536 1.00 0.00 O ATOM 1194 CB HIS A 75 10.467 4.328 7.905 1.00 0.00 C ATOM 1195 CG HIS A 75 11.466 3.311 8.383 1.00 0.00 C ATOM 1196 ND1 HIS A 75 12.534 2.898 7.599 1.00 0.00 N ATOM 1197 CD2 HIS A 75 11.572 2.613 9.562 1.00 0.00 C ATOM 1198 CE1 HIS A 75 13.230 1.990 8.309 1.00 0.00 C ATOM 1199 NE2 HIS A 75 12.686 1.784 9.509 1.00 0.00 N ATOM 0 H HIS A 75 8.679 5.583 6.694 1.00 0.00 H new ATOM 0 HA HIS A 75 9.645 2.916 6.512 1.00 0.00 H new ATOM 0 HB2 HIS A 75 10.933 5.000 7.184 1.00 0.00 H new ATOM 0 HB3 HIS A 75 10.129 4.942 8.740 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.895 2.696 10.399 1.00 0.00 H new ATOM 0 HE1 HIS A 75 14.118 1.491 7.951 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.018 1.150 10.236 1.00 0.00 H new ATOM 1208 N ASN A 76 7.611 3.529 9.017 1.00 0.00 N ATOM 1209 CA ASN A 76 6.804 2.851 10.069 1.00 0.00 C ATOM 1210 C ASN A 76 5.719 2.009 9.401 1.00 0.00 C ATOM 1211 O ASN A 76 5.423 0.907 9.819 1.00 0.00 O ATOM 1212 CB ASN A 76 6.153 3.902 10.971 1.00 0.00 C ATOM 1213 CG ASN A 76 7.237 4.639 11.760 1.00 0.00 C ATOM 1214 OD1 ASN A 76 8.410 4.364 11.605 1.00 0.00 O ATOM 1215 ND2 ASN A 76 6.892 5.573 12.604 1.00 0.00 N ATOM 0 H ASN A 76 7.413 4.522 8.890 1.00 0.00 H new ATOM 0 HA ASN A 76 7.448 2.210 10.671 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.582 4.609 10.370 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.451 3.425 11.655 1.00 0.00 H new ATOM 0 HD21 ASN A 76 7.607 6.072 13.133 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.907 5.804 12.734 1.00 0.00 H new ATOM 1222 N LEU A 77 5.120 2.524 8.365 1.00 0.00 N ATOM 1223 CA LEU A 77 4.049 1.767 7.661 1.00 0.00 C ATOM 1224 C LEU A 77 4.681 0.534 7.000 1.00 0.00 C ATOM 1225 O LEU A 77 4.149 -0.556 7.060 1.00 0.00 O ATOM 1226 CB LEU A 77 3.365 2.733 6.634 1.00 0.00 C ATOM 1227 CG LEU A 77 3.403 2.210 5.177 1.00 0.00 C ATOM 1228 CD1 LEU A 77 2.596 0.887 5.034 1.00 0.00 C ATOM 1229 CD2 LEU A 77 2.818 3.290 4.246 1.00 0.00 C ATOM 0 H LEU A 77 5.328 3.443 7.973 1.00 0.00 H new ATOM 0 HA LEU A 77 3.277 1.409 8.342 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.327 2.889 6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.858 3.704 6.676 1.00 0.00 H new ATOM 0 HG LEU A 77 4.437 1.999 4.903 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.640 0.544 4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.024 0.127 5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.557 1.062 5.314 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.839 2.933 3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.789 3.501 4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.412 4.201 4.327 1.00 0.00 H new ATOM 1241 N ARG A 78 5.808 0.705 6.370 1.00 0.00 N ATOM 1242 CA ARG A 78 6.481 -0.441 5.695 1.00 0.00 C ATOM 1243 C ARG A 78 6.606 -1.624 6.659 1.00 0.00 C ATOM 1244 O ARG A 78 6.262 -2.743 6.331 1.00 0.00 O ATOM 1245 CB ARG A 78 7.879 -0.010 5.245 1.00 0.00 C ATOM 1246 CG ARG A 78 8.502 -1.114 4.386 1.00 0.00 C ATOM 1247 CD ARG A 78 9.876 -0.659 3.889 1.00 0.00 C ATOM 1248 NE ARG A 78 10.786 -0.468 5.052 1.00 0.00 N ATOM 1249 CZ ARG A 78 12.037 -0.146 4.858 1.00 0.00 C ATOM 1250 NH1 ARG A 78 12.490 0.007 3.643 1.00 0.00 N ATOM 1251 NH2 ARG A 78 12.832 0.023 5.878 1.00 0.00 N ATOM 0 H ARG A 78 6.297 1.597 6.292 1.00 0.00 H new ATOM 0 HA ARG A 78 5.887 -0.745 4.833 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.820 0.918 4.676 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.507 0.188 6.113 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.599 -2.031 4.967 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.854 -1.340 3.539 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.291 -1.400 3.206 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.782 0.272 3.330 1.00 0.00 H new ATOM 0 HE ARG A 78 10.432 -0.589 6.001 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.867 -0.125 2.846 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.467 0.258 3.491 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.477 -0.096 6.827 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.809 0.274 5.727 1.00 0.00 H new ATOM 1265 N GLU A 79 7.112 -1.392 7.838 1.00 0.00 N ATOM 1266 CA GLU A 79 7.279 -2.510 8.813 1.00 0.00 C ATOM 1267 C GLU A 79 5.920 -3.126 9.166 1.00 0.00 C ATOM 1268 O GLU A 79 5.832 -4.285 9.521 1.00 0.00 O ATOM 1269 CB GLU A 79 7.937 -1.973 10.086 1.00 0.00 C ATOM 1270 CG GLU A 79 9.327 -1.429 9.753 1.00 0.00 C ATOM 1271 CD GLU A 79 10.263 -2.589 9.408 1.00 0.00 C ATOM 1272 OE1 GLU A 79 10.524 -3.395 10.286 1.00 0.00 O ATOM 1273 OE2 GLU A 79 10.704 -2.650 8.272 1.00 0.00 O ATOM 0 H GLU A 79 7.418 -0.477 8.170 1.00 0.00 H new ATOM 0 HA GLU A 79 7.905 -3.280 8.362 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.322 -1.186 10.521 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.014 -2.766 10.830 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.266 -0.736 8.914 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.722 -0.869 10.601 1.00 0.00 H new ATOM 1280 N LYS A 80 4.863 -2.364 9.095 1.00 0.00 N ATOM 1281 CA LYS A 80 3.523 -2.908 9.453 1.00 0.00 C ATOM 1282 C LYS A 80 2.999 -3.840 8.351 1.00 0.00 C ATOM 1283 O LYS A 80 2.465 -4.896 8.627 1.00 0.00 O ATOM 1284 CB LYS A 80 2.542 -1.748 9.649 1.00 0.00 C ATOM 1285 CG LYS A 80 2.895 -0.990 10.932 1.00 0.00 C ATOM 1286 CD LYS A 80 1.921 0.173 11.125 1.00 0.00 C ATOM 1287 CE LYS A 80 2.184 0.841 12.477 1.00 0.00 C ATOM 1288 NZ LYS A 80 1.834 -0.105 13.575 1.00 0.00 N ATOM 0 H LYS A 80 4.870 -1.386 8.804 1.00 0.00 H new ATOM 0 HA LYS A 80 3.614 -3.481 10.376 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.584 -1.074 8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.522 -2.127 9.707 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.848 -1.663 11.788 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.917 -0.616 10.876 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.040 0.898 10.320 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.894 -0.188 11.080 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.232 1.132 12.553 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.593 1.752 12.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.190 0.363 14.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.368 -0.944 13.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.700 -0.395 14.073 1.00 0.00 H new ATOM 1302 N ILE A 81 3.124 -3.457 7.108 1.00 0.00 N ATOM 1303 CA ILE A 81 2.603 -4.324 6.009 1.00 0.00 C ATOM 1304 C ILE A 81 3.522 -5.529 5.806 1.00 0.00 C ATOM 1305 O ILE A 81 3.123 -6.535 5.252 1.00 0.00 O ATOM 1306 CB ILE A 81 2.528 -3.519 4.708 1.00 0.00 C ATOM 1307 CG1 ILE A 81 3.860 -2.804 4.472 1.00 0.00 C ATOM 1308 CG2 ILE A 81 1.405 -2.483 4.813 1.00 0.00 C ATOM 1309 CD1 ILE A 81 3.873 -2.186 3.070 1.00 0.00 C ATOM 0 H ILE A 81 3.562 -2.586 6.806 1.00 0.00 H new ATOM 0 HA ILE A 81 1.608 -4.675 6.281 1.00 0.00 H new ATOM 0 HB ILE A 81 2.325 -4.193 3.876 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.005 -2.028 5.223 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.685 -3.508 4.577 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.351 -1.910 3.887 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.456 -2.991 4.981 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.608 -1.809 5.646 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.823 -1.678 2.905 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.748 -2.972 2.325 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.057 -1.468 2.981 1.00 0.00 H new ATOM 1321 N GLY A 82 4.749 -5.442 6.237 1.00 0.00 N ATOM 1322 CA GLY A 82 5.686 -6.587 6.053 1.00 0.00 C ATOM 1323 C GLY A 82 6.245 -6.549 4.631 1.00 0.00 C ATOM 1324 O GLY A 82 5.765 -7.222 3.741 1.00 0.00 O ATOM 0 H GLY A 82 5.144 -4.629 6.709 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.498 -6.530 6.778 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.168 -7.530 6.229 1.00 0.00 H new ATOM 1328 N LYS A 83 7.256 -5.755 4.419 1.00 0.00 N ATOM 1329 CA LYS A 83 7.870 -5.641 3.063 1.00 0.00 C ATOM 1330 C LYS A 83 8.073 -7.030 2.449 1.00 0.00 C ATOM 1331 O LYS A 83 8.283 -7.167 1.262 1.00 0.00 O ATOM 1332 CB LYS A 83 9.223 -4.936 3.179 1.00 0.00 C ATOM 1333 CG LYS A 83 10.066 -5.618 4.258 1.00 0.00 C ATOM 1334 CD LYS A 83 11.454 -4.976 4.304 1.00 0.00 C ATOM 1335 CE LYS A 83 12.272 -5.606 5.434 1.00 0.00 C ATOM 1336 NZ LYS A 83 12.197 -7.091 5.333 1.00 0.00 N ATOM 0 H LYS A 83 7.690 -5.172 5.135 1.00 0.00 H new ATOM 0 HA LYS A 83 7.203 -5.066 2.421 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.744 -4.967 2.222 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.077 -3.885 3.428 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.578 -5.525 5.228 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.154 -6.684 4.046 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.963 -5.117 3.350 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.364 -3.901 4.462 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.310 -5.279 5.372 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.891 -5.277 6.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.008 -7.514 5.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.314 -7.424 5.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.217 -7.372 4.332 1.00 0.00 H new ATOM 1350 N SER A 84 8.023 -8.061 3.245 1.00 0.00 N ATOM 1351 CA SER A 84 8.224 -9.432 2.702 1.00 0.00 C ATOM 1352 C SER A 84 7.258 -9.675 1.541 1.00 0.00 C ATOM 1353 O SER A 84 7.648 -10.126 0.482 1.00 0.00 O ATOM 1354 CB SER A 84 7.961 -10.458 3.804 1.00 0.00 C ATOM 1355 OG SER A 84 6.628 -10.310 4.275 1.00 0.00 O ATOM 0 H SER A 84 7.851 -8.013 4.249 1.00 0.00 H new ATOM 0 HA SER A 84 9.249 -9.532 2.345 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.114 -11.467 3.421 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.666 -10.318 4.623 1.00 0.00 H new ATOM 0 HG SER A 84 6.456 -10.968 4.981 1.00 0.00 H new ATOM 1361 N ARG A 85 5.998 -9.394 1.736 1.00 0.00 N ATOM 1362 CA ARG A 85 4.999 -9.624 0.647 1.00 0.00 C ATOM 1363 C ARG A 85 5.054 -8.484 -0.379 1.00 0.00 C ATOM 1364 O ARG A 85 4.193 -8.373 -1.230 1.00 0.00 O ATOM 1365 CB ARG A 85 3.591 -9.705 1.253 1.00 0.00 C ATOM 1366 CG ARG A 85 3.413 -11.035 2.009 1.00 0.00 C ATOM 1367 CD ARG A 85 3.401 -12.236 1.036 1.00 0.00 C ATOM 1368 NE ARG A 85 2.558 -13.321 1.614 1.00 0.00 N ATOM 1369 CZ ARG A 85 2.976 -13.991 2.653 1.00 0.00 C ATOM 1370 NH1 ARG A 85 4.134 -13.713 3.187 1.00 0.00 N ATOM 1371 NH2 ARG A 85 2.237 -14.940 3.158 1.00 0.00 N ATOM 0 H ARG A 85 5.615 -9.015 2.602 1.00 0.00 H new ATOM 0 HA ARG A 85 5.236 -10.561 0.143 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.431 -8.868 1.932 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.843 -9.623 0.465 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.221 -11.157 2.731 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.481 -11.013 2.574 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.009 -11.931 0.066 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.416 -12.596 0.870 1.00 0.00 H new ATOM 0 HE ARG A 85 1.653 -13.540 1.197 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.713 -12.972 2.792 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.460 -14.237 3.999 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.332 -15.159 2.741 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.564 -15.464 3.970 1.00 0.00 H new ATOM 1385 N ILE A 86 6.053 -7.634 -0.310 1.00 0.00 N ATOM 1386 CA ILE A 86 6.160 -6.497 -1.285 1.00 0.00 C ATOM 1387 C ILE A 86 7.624 -6.334 -1.714 1.00 0.00 C ATOM 1388 O ILE A 86 8.524 -6.850 -1.083 1.00 0.00 O ATOM 1389 CB ILE A 86 5.662 -5.198 -0.621 1.00 0.00 C ATOM 1390 CG1 ILE A 86 4.150 -5.323 -0.269 1.00 0.00 C ATOM 1391 CG2 ILE A 86 5.873 -4.016 -1.585 1.00 0.00 C ATOM 1392 CD1 ILE A 86 3.937 -6.015 1.095 1.00 0.00 C ATOM 0 H ILE A 86 6.802 -7.678 0.381 1.00 0.00 H new ATOM 0 HA ILE A 86 5.547 -6.707 -2.161 1.00 0.00 H new ATOM 0 HB ILE A 86 6.226 -5.027 0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.698 -4.331 -0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.640 -5.890 -1.048 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.521 -3.097 -1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.934 -3.921 -1.818 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.314 -4.192 -2.504 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.870 -6.084 1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.366 -7.016 1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.424 -5.434 1.878 1.00 0.00 H new ATOM 1404 N ARG A 87 7.865 -5.624 -2.793 1.00 0.00 N ATOM 1405 CA ARG A 87 9.269 -5.423 -3.284 1.00 0.00 C ATOM 1406 C ARG A 87 9.457 -3.971 -3.731 1.00 0.00 C ATOM 1407 O ARG A 87 8.701 -3.452 -4.528 1.00 0.00 O ATOM 1408 CB ARG A 87 9.524 -6.352 -4.473 1.00 0.00 C ATOM 1409 CG ARG A 87 11.003 -6.295 -4.862 1.00 0.00 C ATOM 1410 CD ARG A 87 11.259 -7.244 -6.033 1.00 0.00 C ATOM 1411 NE ARG A 87 12.652 -7.057 -6.528 1.00 0.00 N ATOM 1412 CZ ARG A 87 13.067 -7.716 -7.577 1.00 0.00 C ATOM 1413 NH1 ARG A 87 12.261 -8.537 -8.193 1.00 0.00 N ATOM 1414 NH2 ARG A 87 14.287 -7.551 -8.011 1.00 0.00 N ATOM 0 H ARG A 87 7.146 -5.173 -3.358 1.00 0.00 H new ATOM 0 HA ARG A 87 9.969 -5.648 -2.480 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.245 -7.374 -4.216 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.904 -6.055 -5.319 1.00 0.00 H new ATOM 0 HG2 ARG A 87 11.278 -5.277 -5.138 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.625 -6.574 -4.011 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.109 -8.277 -5.718 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.547 -7.049 -6.835 1.00 0.00 H new ATOM 0 HE ARG A 87 13.282 -6.414 -6.048 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.307 -8.664 -7.856 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.585 -9.051 -9.012 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.916 -6.908 -7.531 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.611 -8.066 -8.830 1.00 0.00 H new ATOM 1428 N THR A 88 10.469 -3.311 -3.223 1.00 0.00 N ATOM 1429 CA THR A 88 10.726 -1.886 -3.610 1.00 0.00 C ATOM 1430 C THR A 88 11.715 -1.852 -4.779 1.00 0.00 C ATOM 1431 O THR A 88 12.635 -2.643 -4.846 1.00 0.00 O ATOM 1432 CB THR A 88 11.327 -1.134 -2.415 1.00 0.00 C ATOM 1433 OG1 THR A 88 12.728 -1.366 -2.371 1.00 0.00 O ATOM 1434 CG2 THR A 88 10.687 -1.631 -1.117 1.00 0.00 C ATOM 0 H THR A 88 11.133 -3.699 -2.553 1.00 0.00 H new ATOM 0 HA THR A 88 9.790 -1.412 -3.906 1.00 0.00 H new ATOM 0 HB THR A 88 11.135 -0.067 -2.525 1.00 0.00 H new ATOM 0 HG1 THR A 88 13.115 -0.886 -1.610 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.116 -1.095 -0.271 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.612 -1.455 -1.151 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.876 -2.698 -1.004 1.00 0.00 H new ATOM 1442 N VAL A 89 11.525 -0.945 -5.706 1.00 0.00 N ATOM 1443 CA VAL A 89 12.440 -0.853 -6.892 1.00 0.00 C ATOM 1444 C VAL A 89 13.431 0.301 -6.705 1.00 0.00 C ATOM 1445 O VAL A 89 13.057 1.457 -6.664 1.00 0.00 O ATOM 1446 CB VAL A 89 11.606 -0.594 -8.147 1.00 0.00 C ATOM 1447 CG1 VAL A 89 12.512 -0.632 -9.380 1.00 0.00 C ATOM 1448 CG2 VAL A 89 10.528 -1.673 -8.274 1.00 0.00 C ATOM 0 H VAL A 89 10.771 -0.259 -5.694 1.00 0.00 H new ATOM 0 HA VAL A 89 12.992 -1.788 -6.991 1.00 0.00 H new ATOM 0 HB VAL A 89 11.134 0.386 -8.073 1.00 0.00 H new ATOM 0 HG11 VAL A 89 11.917 -0.447 -10.274 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.281 0.136 -9.291 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.984 -1.611 -9.454 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.933 -1.489 -9.168 1.00 0.00 H new ATOM 0 HG22 VAL A 89 11.001 -2.653 -8.347 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.882 -1.647 -7.397 1.00 0.00 H new ATOM 1458 N ARG A 90 14.696 -0.010 -6.605 1.00 0.00 N ATOM 1459 CA ARG A 90 15.730 1.054 -6.437 1.00 0.00 C ATOM 1460 C ARG A 90 15.316 2.030 -5.332 1.00 0.00 C ATOM 1461 O ARG A 90 15.665 3.194 -5.361 1.00 0.00 O ATOM 1462 CB ARG A 90 15.890 1.818 -7.753 1.00 0.00 C ATOM 1463 CG ARG A 90 16.534 0.904 -8.799 1.00 0.00 C ATOM 1464 CD ARG A 90 16.697 1.668 -10.113 1.00 0.00 C ATOM 1465 NE ARG A 90 17.667 2.784 -9.922 1.00 0.00 N ATOM 1466 CZ ARG A 90 18.942 2.528 -9.803 1.00 0.00 C ATOM 1467 NH1 ARG A 90 19.369 1.296 -9.853 1.00 0.00 N ATOM 1468 NH2 ARG A 90 19.789 3.506 -9.634 1.00 0.00 N ATOM 0 H ARG A 90 15.060 -0.962 -6.633 1.00 0.00 H new ATOM 0 HA ARG A 90 16.675 0.587 -6.161 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.918 2.164 -8.106 1.00 0.00 H new ATOM 0 HB3 ARG A 90 16.507 2.703 -7.599 1.00 0.00 H new ATOM 0 HG2 ARG A 90 17.505 0.556 -8.445 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.916 0.020 -8.954 1.00 0.00 H new ATOM 0 HD2 ARG A 90 17.049 0.996 -10.896 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.734 2.061 -10.440 1.00 0.00 H new ATOM 0 HE ARG A 90 17.335 3.748 -9.884 1.00 0.00 H new ATOM 0 HH11 ARG A 90 18.707 0.532 -9.985 1.00 0.00 H new ATOM 0 HH12 ARG A 90 20.365 1.097 -9.760 1.00 0.00 H new ATOM 0 HH21 ARG A 90 19.455 4.469 -9.595 1.00 0.00 H new ATOM 0 HH22 ARG A 90 20.785 3.308 -9.541 1.00 0.00 H new ATOM 1482 N GLY A 91 14.578 1.572 -4.357 1.00 0.00 N ATOM 1483 CA GLY A 91 14.151 2.483 -3.254 1.00 0.00 C ATOM 1484 C GLY A 91 13.543 3.761 -3.841 1.00 0.00 C ATOM 1485 O GLY A 91 13.987 4.857 -3.560 1.00 0.00 O ATOM 0 H GLY A 91 14.252 0.609 -4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.422 1.982 -2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 91 15.005 2.732 -2.624 1.00 0.00 H new ATOM 1489 N PHE A 92 12.530 3.621 -4.660 1.00 0.00 N ATOM 1490 CA PHE A 92 11.871 4.806 -5.285 1.00 0.00 C ATOM 1491 C PHE A 92 10.355 4.588 -5.273 1.00 0.00 C ATOM 1492 O PHE A 92 9.628 5.279 -4.586 1.00 0.00 O ATOM 1493 CB PHE A 92 12.381 4.963 -6.733 1.00 0.00 C ATOM 1494 CG PHE A 92 11.446 5.850 -7.537 1.00 0.00 C ATOM 1495 CD1 PHE A 92 11.587 7.243 -7.494 1.00 0.00 C ATOM 1496 CD2 PHE A 92 10.434 5.273 -8.315 1.00 0.00 C ATOM 1497 CE1 PHE A 92 10.715 8.056 -8.230 1.00 0.00 C ATOM 1498 CE2 PHE A 92 9.563 6.086 -9.048 1.00 0.00 C ATOM 1499 CZ PHE A 92 9.703 7.478 -9.007 1.00 0.00 C ATOM 0 H PHE A 92 12.127 2.722 -4.925 1.00 0.00 H new ATOM 0 HA PHE A 92 12.108 5.713 -4.729 1.00 0.00 H new ATOM 0 HB2 PHE A 92 13.383 5.393 -6.727 1.00 0.00 H new ATOM 0 HB3 PHE A 92 12.457 3.984 -7.205 1.00 0.00 H new ATOM 0 HD1 PHE A 92 12.367 7.690 -6.895 1.00 0.00 H new ATOM 0 HD2 PHE A 92 10.326 4.199 -8.349 1.00 0.00 H new ATOM 0 HE1 PHE A 92 10.823 9.130 -8.198 1.00 0.00 H new ATOM 0 HE2 PHE A 92 8.782 5.639 -9.646 1.00 0.00 H new ATOM 0 HZ PHE A 92 9.031 8.106 -9.574 1.00 0.00 H new ATOM 1509 N GLY A 93 9.876 3.631 -6.028 1.00 0.00 N ATOM 1510 CA GLY A 93 8.406 3.351 -6.080 1.00 0.00 C ATOM 1511 C GLY A 93 8.111 2.055 -5.326 1.00 0.00 C ATOM 1512 O GLY A 93 8.819 1.679 -4.413 1.00 0.00 O ATOM 0 H GLY A 93 10.446 3.025 -6.617 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.851 4.178 -5.636 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.077 3.266 -7.116 1.00 0.00 H new ATOM 1516 N TYR A 94 7.069 1.366 -5.708 1.00 0.00 N ATOM 1517 CA TYR A 94 6.714 0.087 -5.024 1.00 0.00 C ATOM 1518 C TYR A 94 5.996 -0.818 -6.026 1.00 0.00 C ATOM 1519 O TYR A 94 5.443 -0.362 -7.006 1.00 0.00 O ATOM 1520 CB TYR A 94 5.792 0.387 -3.826 1.00 0.00 C ATOM 1521 CG TYR A 94 6.622 0.731 -2.608 1.00 0.00 C ATOM 1522 CD1 TYR A 94 7.075 2.041 -2.418 1.00 0.00 C ATOM 1523 CD2 TYR A 94 6.940 -0.263 -1.674 1.00 0.00 C ATOM 1524 CE1 TYR A 94 7.845 2.357 -1.294 1.00 0.00 C ATOM 1525 CE2 TYR A 94 7.709 0.052 -0.551 1.00 0.00 C ATOM 1526 CZ TYR A 94 8.163 1.363 -0.360 1.00 0.00 C ATOM 1527 OH TYR A 94 8.923 1.675 0.750 1.00 0.00 O ATOM 0 H TYR A 94 6.445 1.635 -6.468 1.00 0.00 H new ATOM 0 HA TYR A 94 7.613 -0.411 -4.660 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.125 1.215 -4.068 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.163 -0.478 -3.615 1.00 0.00 H new ATOM 0 HD1 TYR A 94 6.830 2.807 -3.139 1.00 0.00 H new ATOM 0 HD2 TYR A 94 6.590 -1.274 -1.822 1.00 0.00 H new ATOM 0 HE1 TYR A 94 8.195 3.368 -1.146 1.00 0.00 H new ATOM 0 HE2 TYR A 94 7.953 -0.715 0.169 1.00 0.00 H new ATOM 0 HH TYR A 94 9.050 0.871 1.296 1.00 0.00 H new ATOM 1537 N MET A 95 6.003 -2.099 -5.786 1.00 0.00 N ATOM 1538 CA MET A 95 5.324 -3.042 -6.726 1.00 0.00 C ATOM 1539 C MET A 95 4.989 -4.339 -5.994 1.00 0.00 C ATOM 1540 O MET A 95 5.852 -5.001 -5.451 1.00 0.00 O ATOM 1541 CB MET A 95 6.260 -3.341 -7.904 1.00 0.00 C ATOM 1542 CG MET A 95 5.635 -4.396 -8.836 1.00 0.00 C ATOM 1543 SD MET A 95 6.001 -6.056 -8.211 1.00 0.00 S ATOM 1544 CE MET A 95 5.767 -6.942 -9.771 1.00 0.00 C ATOM 0 H MET A 95 6.449 -2.537 -4.980 1.00 0.00 H new ATOM 0 HA MET A 95 4.403 -2.591 -7.097 1.00 0.00 H new ATOM 0 HB2 MET A 95 6.456 -2.425 -8.462 1.00 0.00 H new ATOM 0 HB3 MET A 95 7.220 -3.699 -7.532 1.00 0.00 H new ATOM 0 HG2 MET A 95 4.557 -4.249 -8.896 1.00 0.00 H new ATOM 0 HG3 MET A 95 6.029 -4.282 -9.846 1.00 0.00 H new ATOM 0 HE1 MET A 95 5.858 -8.014 -9.598 1.00 0.00 H new ATOM 0 HE2 MET A 95 4.777 -6.722 -10.169 1.00 0.00 H new ATOM 0 HE3 MET A 95 6.525 -6.624 -10.487 1.00 0.00 H new ATOM 1554 N LEU A 96 3.738 -4.711 -5.982 1.00 0.00 N ATOM 1555 CA LEU A 96 3.334 -5.975 -5.292 1.00 0.00 C ATOM 1556 C LEU A 96 3.588 -7.156 -6.234 1.00 0.00 C ATOM 1557 O LEU A 96 3.332 -7.083 -7.420 1.00 0.00 O ATOM 1558 CB LEU A 96 1.838 -5.904 -4.931 1.00 0.00 C ATOM 1559 CG LEU A 96 1.641 -5.093 -3.644 1.00 0.00 C ATOM 1560 CD1 LEU A 96 2.283 -3.710 -3.794 1.00 0.00 C ATOM 1561 CD2 LEU A 96 0.143 -4.936 -3.372 1.00 0.00 C ATOM 0 H LEU A 96 2.975 -4.195 -6.420 1.00 0.00 H new ATOM 0 HA LEU A 96 3.914 -6.105 -4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.281 -5.445 -5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.440 -6.910 -4.800 1.00 0.00 H new ATOM 0 HG LEU A 96 2.114 -5.615 -2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.139 -3.140 -2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.350 -3.823 -3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.818 -3.181 -4.626 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.002 -4.360 -2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.326 -4.416 -4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.311 -5.920 -3.257 1.00 0.00 H new ATOM 1573 N ALA A 97 4.090 -8.244 -5.716 1.00 0.00 N ATOM 1574 CA ALA A 97 4.359 -9.426 -6.583 1.00 0.00 C ATOM 1575 C ALA A 97 3.074 -9.830 -7.309 1.00 0.00 C ATOM 1576 O ALA A 97 2.117 -10.267 -6.700 1.00 0.00 O ATOM 1577 CB ALA A 97 4.845 -10.591 -5.719 1.00 0.00 C ATOM 0 H ALA A 97 4.325 -8.365 -4.731 1.00 0.00 H new ATOM 0 HA ALA A 97 5.125 -9.172 -7.316 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.042 -11.456 -6.352 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.761 -10.303 -5.202 1.00 0.00 H new ATOM 0 HB3 ALA A 97 4.079 -10.845 -4.986 1.00 0.00 H new ATOM 1583 N ASN A 98 3.043 -9.688 -8.605 1.00 0.00 N ATOM 1584 CA ASN A 98 1.820 -10.063 -9.369 1.00 0.00 C ATOM 1585 C ASN A 98 1.647 -11.583 -9.344 1.00 0.00 C ATOM 1586 O ASN A 98 1.755 -12.246 -10.356 1.00 0.00 O ATOM 1587 CB ASN A 98 1.958 -9.590 -10.818 1.00 0.00 C ATOM 1588 CG ASN A 98 0.654 -9.858 -11.570 1.00 0.00 C ATOM 1589 OD1 ASN A 98 0.483 -10.909 -12.158 1.00 0.00 O ATOM 1590 ND2 ASN A 98 -0.281 -8.948 -11.577 1.00 0.00 N ATOM 0 H ASN A 98 3.813 -9.328 -9.169 1.00 0.00 H new ATOM 0 HA ASN A 98 0.950 -9.591 -8.913 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.192 -8.526 -10.843 1.00 0.00 H new ATOM 0 HB3 ASN A 98 2.784 -10.110 -11.304 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -1.155 -9.118 -12.075 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -0.138 -8.066 -11.084 1.00 0.00 H new ATOM 1597 N ASN A 99 1.378 -12.142 -8.194 1.00 0.00 N ATOM 1598 CA ASN A 99 1.196 -13.619 -8.101 1.00 0.00 C ATOM 1599 C ASN A 99 2.386 -14.329 -8.752 1.00 0.00 C ATOM 1600 O ASN A 99 2.225 -15.275 -9.497 1.00 0.00 O ATOM 1601 CB ASN A 99 -0.094 -14.020 -8.822 1.00 0.00 C ATOM 1602 CG ASN A 99 -0.314 -15.527 -8.676 1.00 0.00 C ATOM 1603 OD1 ASN A 99 -0.551 -16.216 -9.648 1.00 0.00 O ATOM 1604 ND2 ASN A 99 -0.245 -16.073 -7.492 1.00 0.00 N ATOM 0 H ASN A 99 1.276 -11.638 -7.313 1.00 0.00 H new ATOM 0 HA ASN A 99 1.134 -13.909 -7.052 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -0.941 -13.476 -8.404 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.032 -13.751 -9.877 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -0.390 -17.077 -7.384 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -0.046 -15.496 -6.675 1.00 0.00 H new ATOM 1611 N ILE A 100 3.581 -13.879 -8.477 1.00 0.00 N ATOM 1612 CA ILE A 100 4.781 -14.529 -9.081 1.00 0.00 C ATOM 1613 C ILE A 100 5.023 -15.864 -8.377 1.00 0.00 C ATOM 1614 O ILE A 100 5.847 -16.660 -8.779 1.00 0.00 O ATOM 1615 CB ILE A 100 6.010 -13.615 -8.914 1.00 0.00 C ATOM 1616 CG1 ILE A 100 5.642 -12.175 -9.309 1.00 0.00 C ATOM 1617 CG2 ILE A 100 7.146 -14.116 -9.819 1.00 0.00 C ATOM 1618 CD1 ILE A 100 6.819 -11.241 -9.019 1.00 0.00 C ATOM 0 H ILE A 100 3.778 -13.090 -7.861 1.00 0.00 H new ATOM 0 HA ILE A 100 4.615 -14.699 -10.145 1.00 0.00 H new ATOM 0 HB ILE A 100 6.334 -13.634 -7.874 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.385 -12.133 -10.367 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.762 -11.849 -8.754 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.016 -13.470 -9.702 1.00 0.00 H new ATOM 0 HG22 ILE A 100 7.411 -15.136 -9.540 1.00 0.00 H new ATOM 0 HG23 ILE A 100 6.818 -14.098 -10.858 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.553 -10.222 -9.301 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.056 -11.273 -7.956 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.688 -11.561 -9.594 1.00 0.00 H new ATOM 1630 N ASP A 101 4.295 -16.113 -7.332 1.00 0.00 N ATOM 1631 CA ASP A 101 4.463 -17.395 -6.589 1.00 0.00 C ATOM 1632 C ASP A 101 4.234 -18.569 -7.543 1.00 0.00 C ATOM 1633 O ASP A 101 4.800 -19.632 -7.381 1.00 0.00 O ATOM 1634 CB ASP A 101 3.448 -17.459 -5.447 1.00 0.00 C ATOM 1635 CG ASP A 101 3.646 -18.757 -4.661 1.00 0.00 C ATOM 1636 OD1 ASP A 101 3.433 -19.812 -5.235 1.00 0.00 O ATOM 1637 OD2 ASP A 101 4.006 -18.674 -3.499 1.00 0.00 O ATOM 0 H ASP A 101 3.586 -15.484 -6.955 1.00 0.00 H new ATOM 0 HA ASP A 101 5.472 -17.450 -6.180 1.00 0.00 H new ATOM 0 HB2 ASP A 101 3.571 -16.600 -4.788 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.434 -17.413 -5.844 1.00 0.00 H new ATOM 1642 N THR A 102 3.407 -18.385 -8.535 1.00 0.00 N ATOM 1643 CA THR A 102 3.143 -19.490 -9.499 1.00 0.00 C ATOM 1644 C THR A 102 4.399 -19.752 -10.331 1.00 0.00 C ATOM 1645 O THR A 102 5.016 -18.840 -10.847 1.00 0.00 O ATOM 1646 CB THR A 102 1.990 -19.093 -10.425 1.00 0.00 C ATOM 1647 OG1 THR A 102 2.342 -17.915 -11.136 1.00 0.00 O ATOM 1648 CG2 THR A 102 0.732 -18.835 -9.595 1.00 0.00 C ATOM 0 H THR A 102 2.903 -17.518 -8.720 1.00 0.00 H new ATOM 0 HA THR A 102 2.875 -20.394 -8.952 1.00 0.00 H new ATOM 0 HB THR A 102 1.795 -19.900 -11.132 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.258 -17.138 -10.544 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.088 -18.552 -10.255 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.464 -19.740 -9.050 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.922 -18.028 -8.887 1.00 0.00 H new ATOM 1656 N GLU A 103 4.783 -20.992 -10.468 1.00 0.00 N ATOM 1657 CA GLU A 103 6.000 -21.311 -11.266 1.00 0.00 C ATOM 1658 C GLU A 103 5.718 -21.056 -12.749 1.00 0.00 C ATOM 1659 O GLU A 103 4.711 -20.431 -13.041 1.00 0.00 O ATOM 1660 CB GLU A 103 6.373 -22.780 -11.063 1.00 0.00 C ATOM 1661 CG GLU A 103 6.787 -23.006 -9.608 1.00 0.00 C ATOM 1662 CD GLU A 103 7.318 -24.431 -9.443 1.00 0.00 C ATOM 1663 OE1 GLU A 103 6.524 -25.353 -9.535 1.00 0.00 O ATOM 1664 OE2 GLU A 103 8.511 -24.577 -9.229 1.00 0.00 O ATOM 1665 OXT GLU A 103 6.511 -21.492 -13.566 1.00 0.00 O ATOM 0 H GLU A 103 4.307 -21.797 -10.062 1.00 0.00 H new ATOM 0 HA GLU A 103 6.825 -20.679 -10.939 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.527 -23.419 -11.315 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.189 -23.054 -11.731 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.553 -22.286 -9.321 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.935 -22.845 -8.947 1.00 0.00 H new TER 1672 GLU A 103