USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 852 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 87 HIS : no HD1:sc= -0.837! C(o=0.023!,f=-6.6!) USER MOD Set 1.2: A 89 GLN : amide:sc= 0.86 K(o=0.023,f=-3.3) USER MOD Set 2.1: A 42 MET CE :methyl -171:sc= -0.276 (180deg=-0.444) USER MOD Set 2.2: A 78 TYR OH : rot -22:sc= -0.421 USER MOD Single : A 2 THR OG1 : rot 25:sc= 0.603 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= -0.0912 K(o=-0.091,f=-3.1!) USER MOD Single : A 10 GLN : amide:sc= -5.7! C(o=-5.7!,f=-7.5!) USER MOD Single : A 12 GLN : amide:sc= -0.588 K(o=-0.59,f=-3.1) USER MOD Single : A 21 HIS : no HD1:sc= -1.08 K(o=-1.1,f=0.31) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 23 HIS : no HD1:sc=-0.000841 X(o=-0.00084,f=0) USER MOD Single : A 26 ASN : amide:sc= -0.0096 X(o=-0.0096,f=0) USER MOD Single : A 30 GLN : amide:sc=-0.00256 X(o=-0.0026,f=-0.48) USER MOD Single : A 32 HIS : no HD1:sc=-0.00739 X(o=-0.0074,f=0) USER MOD Single : A 33 GLN : amide:sc= 1.26 K(o=1.3,f=-3.4!) USER MOD Single : A 35 ASN : amide:sc=-0.00335 K(o=-0.0033,f=-0.87) USER MOD Single : A 36 SER OG : rot 63:sc= 0.776 USER MOD Single : A 37 THR OG1 : rot -18:sc= 0.404 USER MOD Single : A 38 GLN : amide:sc= 2.82 K(o=2.8,f=-9.6!) USER MOD Single : A 44 THR OG1 : rot 132:sc= -1.29! USER MOD Single : A 45 MET CE :methyl 150:sc= -0.654 (180deg=-1.36) USER MOD Single : A 52 GLN : amide:sc= 0.298 K(o=0.3,f=-0.48) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HE2:sc= -0.0185 K(o=-0.018,f=-5.4!) USER MOD Single : A 65 ASN : amide:sc= 0.879 K(o=0.88,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -168:sc=-0.00539 (180deg=-0.137) USER MOD Single : A 67 GLN : amide:sc= -0.824 K(o=-0.82,f=-5.4!) USER MOD Single : A 79 TYR OH : rot 25:sc= -0.658 USER MOD Single : A 81 MET CE :methyl 160:sc= -0.137 (180deg=-0.772) USER MOD Single : A 85 THR OG1 : rot 53:sc= 0.798 USER MOD Single : A 99 LYS NZ :NH3+ -170:sc= 0.864 (180deg=0.527) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -16.479 2.168 5.573 1.00 0.00 N ATOM 21 CA THR A 2 -16.293 0.730 5.683 1.00 0.00 C ATOM 22 C THR A 2 -14.816 0.361 5.514 1.00 0.00 C ATOM 23 O THR A 2 -14.005 1.204 5.125 1.00 0.00 O ATOM 24 CB THR A 2 -17.143 0.007 4.621 1.00 0.00 C ATOM 25 OG1 THR A 2 -18.360 0.738 4.405 1.00 0.00 O ATOM 26 CG2 THR A 2 -17.483 -1.410 5.060 1.00 0.00 C ATOM 0 HA THR A 2 -16.616 0.414 6.675 1.00 0.00 H new ATOM 0 HB THR A 2 -16.564 -0.046 3.699 1.00 0.00 H new ATOM 0 HG1 THR A 2 -18.222 1.680 4.639 1.00 0.00 H new ATOM 0 HG21 THR A 2 -18.083 -1.895 4.290 1.00 0.00 H new ATOM 0 HG22 THR A 2 -16.563 -1.974 5.212 1.00 0.00 H new ATOM 0 HG23 THR A 2 -18.047 -1.377 5.992 1.00 0.00 H new ATOM 34 N THR A 3 -14.475 -0.889 5.810 1.00 0.00 N ATOM 35 CA THR A 3 -13.097 -1.361 5.728 1.00 0.00 C ATOM 36 C THR A 3 -12.501 -1.126 4.335 1.00 0.00 C ATOM 37 O THR A 3 -11.373 -0.650 4.220 1.00 0.00 O ATOM 38 CB THR A 3 -13.014 -2.856 6.088 1.00 0.00 C ATOM 39 OG1 THR A 3 -13.712 -3.091 7.320 1.00 0.00 O ATOM 40 CG2 THR A 3 -11.568 -3.310 6.227 1.00 0.00 C ATOM 0 H THR A 3 -15.141 -1.600 6.112 1.00 0.00 H new ATOM 0 HA THR A 3 -12.513 -0.787 6.447 1.00 0.00 H new ATOM 0 HB THR A 3 -13.475 -3.428 5.283 1.00 0.00 H new ATOM 0 HG1 THR A 3 -13.661 -4.043 7.549 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.542 -4.370 6.481 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.044 -3.150 5.284 1.00 0.00 H new ATOM 0 HG23 THR A 3 -11.080 -2.736 7.015 1.00 0.00 H new ATOM 48 N HIS A 4 -13.266 -1.442 3.285 1.00 0.00 N ATOM 49 CA HIS A 4 -12.821 -1.185 1.909 1.00 0.00 C ATOM 50 C HIS A 4 -12.420 0.276 1.740 1.00 0.00 C ATOM 51 O HIS A 4 -11.335 0.585 1.250 1.00 0.00 O ATOM 52 CB HIS A 4 -13.920 -1.511 0.892 1.00 0.00 C ATOM 53 CG HIS A 4 -14.240 -2.966 0.764 1.00 0.00 C ATOM 54 ND1 HIS A 4 -15.496 -3.478 0.983 1.00 0.00 N ATOM 55 CD2 HIS A 4 -13.468 -4.013 0.398 1.00 0.00 C ATOM 56 CE1 HIS A 4 -15.484 -4.777 0.757 1.00 0.00 C ATOM 57 NE2 HIS A 4 -14.265 -5.131 0.398 1.00 0.00 N ATOM 0 H HIS A 4 -14.188 -1.872 3.358 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.963 -1.832 1.725 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.827 -0.977 1.174 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -13.617 -1.132 -0.084 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -12.417 -3.977 0.151 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -16.331 -5.441 0.850 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.965 -6.076 0.160 1.00 0.00 H new ATOM 66 N ASP A 5 -13.311 1.163 2.159 1.00 0.00 N ATOM 67 CA ASP A 5 -13.085 2.600 2.075 1.00 0.00 C ATOM 68 C ASP A 5 -11.849 3.014 2.871 1.00 0.00 C ATOM 69 O ASP A 5 -11.073 3.858 2.426 1.00 0.00 O ATOM 70 CB ASP A 5 -14.322 3.343 2.583 1.00 0.00 C ATOM 71 CG ASP A 5 -14.109 4.836 2.693 1.00 0.00 C ATOM 72 OD1 ASP A 5 -14.161 5.533 1.656 1.00 0.00 O ATOM 73 OD2 ASP A 5 -13.906 5.319 3.823 1.00 0.00 O ATOM 0 H ASP A 5 -14.211 0.908 2.567 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.908 2.863 1.032 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.158 3.149 1.910 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.601 2.948 3.560 1.00 0.00 H new ATOM 78 N ARG A 6 -11.657 2.401 4.035 1.00 0.00 N ATOM 79 CA ARG A 6 -10.506 2.705 4.883 1.00 0.00 C ATOM 80 C ARG A 6 -9.195 2.306 4.211 1.00 0.00 C ATOM 81 O ARG A 6 -8.214 3.044 4.272 1.00 0.00 O ATOM 82 CB ARG A 6 -10.627 2.015 6.241 1.00 0.00 C ATOM 83 CG ARG A 6 -11.709 2.609 7.124 1.00 0.00 C ATOM 84 CD ARG A 6 -11.670 2.020 8.522 1.00 0.00 C ATOM 85 NE ARG A 6 -12.588 2.709 9.430 1.00 0.00 N ATOM 86 CZ ARG A 6 -12.402 2.792 10.747 1.00 0.00 C ATOM 87 NH1 ARG A 6 -11.318 2.260 11.304 1.00 0.00 N ATOM 88 NH2 ARG A 6 -13.285 3.430 11.505 1.00 0.00 N ATOM 0 H ARG A 6 -12.283 1.690 4.414 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.497 3.784 5.037 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -10.836 0.957 6.085 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.670 2.078 6.759 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -11.582 3.690 7.180 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -12.686 2.425 6.678 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -11.929 0.962 8.478 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -10.655 2.084 8.915 1.00 0.00 H new ATOM 0 HE ARG A 6 -13.417 3.151 9.032 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -10.626 1.787 10.723 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -11.178 2.325 12.312 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -14.108 3.858 11.080 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -13.141 3.493 12.513 1.00 0.00 H new ATOM 102 N VAL A 7 -9.181 1.142 3.569 1.00 0.00 N ATOM 103 CA VAL A 7 -7.995 0.692 2.848 1.00 0.00 C ATOM 104 C VAL A 7 -7.708 1.636 1.683 1.00 0.00 C ATOM 105 O VAL A 7 -6.556 1.937 1.374 1.00 0.00 O ATOM 106 CB VAL A 7 -8.153 -0.753 2.317 1.00 0.00 C ATOM 107 CG1 VAL A 7 -6.875 -1.223 1.636 1.00 0.00 C ATOM 108 CG2 VAL A 7 -8.531 -1.705 3.442 1.00 0.00 C ATOM 0 H VAL A 7 -9.971 0.498 3.533 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.161 0.700 3.550 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.957 -0.752 1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.010 -2.241 1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.646 -0.565 0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.052 -1.200 2.351 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.636 -2.714 3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.752 -1.695 4.204 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.476 -1.389 3.884 1.00 0.00 H new ATOM 118 N ARG A 8 -8.773 2.121 1.057 1.00 0.00 N ATOM 119 CA ARG A 8 -8.654 3.085 -0.025 1.00 0.00 C ATOM 120 C ARG A 8 -8.063 4.392 0.497 1.00 0.00 C ATOM 121 O ARG A 8 -7.198 4.992 -0.139 1.00 0.00 O ATOM 122 CB ARG A 8 -10.024 3.325 -0.663 1.00 0.00 C ATOM 123 CG ARG A 8 -10.016 4.347 -1.786 1.00 0.00 C ATOM 124 CD ARG A 8 -11.365 4.407 -2.484 1.00 0.00 C ATOM 125 NE ARG A 8 -12.453 4.729 -1.562 1.00 0.00 N ATOM 126 CZ ARG A 8 -13.746 4.653 -1.879 1.00 0.00 C ATOM 127 NH1 ARG A 8 -14.114 4.267 -3.097 1.00 0.00 N ATOM 128 NH2 ARG A 8 -14.672 4.964 -0.977 1.00 0.00 N ATOM 0 H ARG A 8 -9.733 1.860 1.283 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.983 2.687 -0.786 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.403 2.379 -1.050 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.719 3.655 0.109 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.767 5.330 -1.385 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.241 4.091 -2.508 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.329 5.156 -3.276 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.568 3.448 -2.961 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.208 5.030 -0.619 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.406 4.028 -3.792 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -15.104 4.210 -3.337 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.394 5.261 -0.042 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.661 4.906 -1.220 1.00 0.00 H new ATOM 142 N LEU A 9 -8.535 4.815 1.666 1.00 0.00 N ATOM 143 CA LEU A 9 -7.991 5.990 2.345 1.00 0.00 C ATOM 144 C LEU A 9 -6.503 5.809 2.629 1.00 0.00 C ATOM 145 O LEU A 9 -5.721 6.753 2.526 1.00 0.00 O ATOM 146 CB LEU A 9 -8.730 6.246 3.662 1.00 0.00 C ATOM 147 CG LEU A 9 -10.212 6.598 3.531 1.00 0.00 C ATOM 148 CD1 LEU A 9 -10.855 6.691 4.903 1.00 0.00 C ATOM 149 CD2 LEU A 9 -10.387 7.905 2.777 1.00 0.00 C ATOM 0 H LEU A 9 -9.298 4.359 2.167 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.128 6.847 1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.640 5.357 4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.227 7.058 4.188 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.705 5.806 2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.910 6.942 4.794 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.761 5.733 5.415 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.356 7.465 5.487 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.449 8.138 2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.880 8.706 3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.958 7.810 1.780 1.00 0.00 H new ATOM 161 N GLN A 10 -6.117 4.588 2.986 1.00 0.00 N ATOM 162 CA GLN A 10 -4.720 4.272 3.257 1.00 0.00 C ATOM 163 C GLN A 10 -3.892 4.453 1.992 1.00 0.00 C ATOM 164 O GLN A 10 -2.793 4.990 2.042 1.00 0.00 O ATOM 165 CB GLN A 10 -4.591 2.839 3.793 1.00 0.00 C ATOM 166 CG GLN A 10 -3.224 2.502 4.387 1.00 0.00 C ATOM 167 CD GLN A 10 -2.140 2.284 3.345 1.00 0.00 C ATOM 168 OE1 GLN A 10 -2.408 1.837 2.234 1.00 0.00 O ATOM 169 NE2 GLN A 10 -0.906 2.599 3.698 1.00 0.00 N ATOM 0 H GLN A 10 -6.755 3.799 3.094 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.343 4.954 4.019 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.353 2.681 4.556 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.802 2.142 2.982 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.918 3.309 5.052 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.315 1.603 4.997 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -0.721 2.968 4.631 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.139 2.473 3.038 1.00 0.00 H new ATOM 178 N LEU A 11 -4.431 4.015 0.861 1.00 0.00 N ATOM 179 CA LEU A 11 -3.746 4.171 -0.420 1.00 0.00 C ATOM 180 C LEU A 11 -3.507 5.646 -0.722 1.00 0.00 C ATOM 181 O LEU A 11 -2.474 6.021 -1.279 1.00 0.00 O ATOM 182 CB LEU A 11 -4.562 3.533 -1.545 1.00 0.00 C ATOM 183 CG LEU A 11 -4.792 2.027 -1.408 1.00 0.00 C ATOM 184 CD1 LEU A 11 -5.678 1.523 -2.534 1.00 0.00 C ATOM 185 CD2 LEU A 11 -3.466 1.279 -1.396 1.00 0.00 C ATOM 0 H LEU A 11 -5.337 3.550 0.802 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.782 3.666 -0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.531 4.029 -1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.056 3.723 -2.492 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.297 1.841 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.833 0.450 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.640 2.034 -2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.198 1.723 -3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.652 0.210 -1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.932 1.470 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.863 1.621 -0.555 1.00 0.00 H new ATOM 197 N GLN A 12 -4.467 6.478 -0.341 1.00 0.00 N ATOM 198 CA GLN A 12 -4.346 7.920 -0.505 1.00 0.00 C ATOM 199 C GLN A 12 -3.281 8.466 0.440 1.00 0.00 C ATOM 200 O GLN A 12 -2.523 9.371 0.089 1.00 0.00 O ATOM 201 CB GLN A 12 -5.687 8.596 -0.224 1.00 0.00 C ATOM 202 CG GLN A 12 -6.832 8.049 -1.059 1.00 0.00 C ATOM 203 CD GLN A 12 -8.176 8.617 -0.650 1.00 0.00 C ATOM 204 OE1 GLN A 12 -8.382 8.987 0.507 1.00 0.00 O ATOM 205 NE2 GLN A 12 -9.103 8.679 -1.593 1.00 0.00 N ATOM 0 H GLN A 12 -5.343 6.176 0.086 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.052 8.133 -1.533 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.930 8.477 0.832 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.591 9.666 -0.411 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.651 8.275 -2.110 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.857 6.963 -0.967 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.890 8.362 -2.539 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.030 9.044 -1.374 1.00 0.00 H new ATOM 214 N ALA A 13 -3.228 7.897 1.637 1.00 0.00 N ATOM 215 CA ALA A 13 -2.255 8.293 2.644 1.00 0.00 C ATOM 216 C ALA A 13 -0.847 7.862 2.242 1.00 0.00 C ATOM 217 O ALA A 13 0.118 8.595 2.446 1.00 0.00 O ATOM 218 CB ALA A 13 -2.632 7.707 3.994 1.00 0.00 C ATOM 0 H ALA A 13 -3.856 7.151 1.936 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.262 9.380 2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.897 8.010 4.740 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.617 8.071 4.286 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.653 6.619 3.926 1.00 0.00 H new ATOM 224 N LEU A 14 -0.742 6.669 1.667 1.00 0.00 N ATOM 225 CA LEU A 14 0.525 6.173 1.144 1.00 0.00 C ATOM 226 C LEU A 14 1.030 7.103 0.049 1.00 0.00 C ATOM 227 O LEU A 14 2.212 7.455 0.013 1.00 0.00 O ATOM 228 CB LEU A 14 0.359 4.752 0.594 1.00 0.00 C ATOM 229 CG LEU A 14 1.620 4.131 -0.014 1.00 0.00 C ATOM 230 CD1 LEU A 14 2.704 3.964 1.041 1.00 0.00 C ATOM 231 CD2 LEU A 14 1.295 2.795 -0.662 1.00 0.00 C ATOM 0 H LEU A 14 -1.524 6.025 1.551 1.00 0.00 H new ATOM 0 HA LEU A 14 1.253 6.146 1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.010 4.107 1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.422 4.764 -0.166 1.00 0.00 H new ATOM 0 HG LEU A 14 1.996 4.806 -0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.590 3.521 0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.959 4.938 1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.341 3.313 1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.202 2.368 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.892 2.115 0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.557 2.943 -1.451 1.00 0.00 H new ATOM 243 N GLU A 15 0.119 7.504 -0.830 1.00 0.00 N ATOM 244 CA GLU A 15 0.426 8.474 -1.871 1.00 0.00 C ATOM 245 C GLU A 15 0.935 9.764 -1.242 1.00 0.00 C ATOM 246 O GLU A 15 1.921 10.342 -1.695 1.00 0.00 O ATOM 247 CB GLU A 15 -0.818 8.764 -2.710 1.00 0.00 C ATOM 248 CG GLU A 15 -0.566 9.716 -3.865 1.00 0.00 C ATOM 249 CD GLU A 15 -1.845 10.185 -4.522 1.00 0.00 C ATOM 250 OE1 GLU A 15 -2.508 9.376 -5.198 1.00 0.00 O ATOM 251 OE2 GLU A 15 -2.201 11.371 -4.358 1.00 0.00 O ATOM 0 H GLU A 15 -0.844 7.169 -0.841 1.00 0.00 H new ATOM 0 HA GLU A 15 1.198 8.060 -2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.207 7.825 -3.103 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.590 9.185 -2.066 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.009 10.581 -3.503 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.060 9.222 -4.608 1.00 0.00 H new ATOM 258 N ALA A 16 0.260 10.197 -0.182 1.00 0.00 N ATOM 259 CA ALA A 16 0.643 11.401 0.540 1.00 0.00 C ATOM 260 C ALA A 16 2.057 11.277 1.097 1.00 0.00 C ATOM 261 O ALA A 16 2.869 12.186 0.943 1.00 0.00 O ATOM 262 CB ALA A 16 -0.346 11.685 1.663 1.00 0.00 C ATOM 0 H ALA A 16 -0.562 9.726 0.197 1.00 0.00 H new ATOM 0 HA ALA A 16 0.626 12.236 -0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.045 12.589 2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.342 11.825 1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.359 10.845 2.357 1.00 0.00 H new ATOM 268 N LEU A 17 2.345 10.142 1.725 1.00 0.00 N ATOM 269 CA LEU A 17 3.660 9.892 2.309 1.00 0.00 C ATOM 270 C LEU A 17 4.740 9.940 1.228 1.00 0.00 C ATOM 271 O LEU A 17 5.794 10.555 1.414 1.00 0.00 O ATOM 272 CB LEU A 17 3.661 8.535 3.034 1.00 0.00 C ATOM 273 CG LEU A 17 4.906 8.218 3.878 1.00 0.00 C ATOM 274 CD1 LEU A 17 4.550 7.250 4.995 1.00 0.00 C ATOM 275 CD2 LEU A 17 6.014 7.622 3.019 1.00 0.00 C ATOM 0 H LEU A 17 1.682 9.376 1.844 1.00 0.00 H new ATOM 0 HA LEU A 17 3.882 10.671 3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.787 8.493 3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.543 7.748 2.289 1.00 0.00 H new ATOM 0 HG LEU A 17 5.266 9.152 4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.440 7.033 5.586 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.789 7.697 5.635 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.165 6.325 4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.882 7.408 3.642 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.661 6.699 2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.293 8.332 2.240 1.00 0.00 H new ATOM 287 N LEU A 18 4.471 9.301 0.097 1.00 0.00 N ATOM 288 CA LEU A 18 5.401 9.314 -1.027 1.00 0.00 C ATOM 289 C LEU A 18 5.537 10.724 -1.591 1.00 0.00 C ATOM 290 O LEU A 18 6.625 11.141 -1.995 1.00 0.00 O ATOM 291 CB LEU A 18 4.929 8.355 -2.124 1.00 0.00 C ATOM 292 CG LEU A 18 4.849 6.882 -1.714 1.00 0.00 C ATOM 293 CD1 LEU A 18 4.312 6.042 -2.861 1.00 0.00 C ATOM 294 CD2 LEU A 18 6.215 6.374 -1.273 1.00 0.00 C ATOM 0 H LEU A 18 3.617 8.767 -0.067 1.00 0.00 H new ATOM 0 HA LEU A 18 6.376 8.984 -0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.944 8.675 -2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.604 8.442 -2.975 1.00 0.00 H new ATOM 0 HG LEU A 18 4.163 6.795 -0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.261 4.997 -2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.315 6.390 -3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.974 6.135 -3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.138 5.325 -0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.923 6.474 -2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.563 6.959 -0.422 1.00 0.00 H new ATOM 306 N ARG A 19 4.429 11.452 -1.599 1.00 0.00 N ATOM 307 CA ARG A 19 4.392 12.815 -2.113 1.00 0.00 C ATOM 308 C ARG A 19 5.240 13.746 -1.248 1.00 0.00 C ATOM 309 O ARG A 19 6.005 14.557 -1.768 1.00 0.00 O ATOM 310 CB ARG A 19 2.944 13.309 -2.162 1.00 0.00 C ATOM 311 CG ARG A 19 2.745 14.598 -2.944 1.00 0.00 C ATOM 312 CD ARG A 19 3.192 14.443 -4.387 1.00 0.00 C ATOM 313 NE ARG A 19 2.647 15.487 -5.251 1.00 0.00 N ATOM 314 CZ ARG A 19 3.308 16.032 -6.270 1.00 0.00 C ATOM 315 NH1 ARG A 19 4.579 15.714 -6.489 1.00 0.00 N ATOM 316 NH2 ARG A 19 2.698 16.899 -7.065 1.00 0.00 N ATOM 0 H ARG A 19 3.532 11.116 -1.250 1.00 0.00 H new ATOM 0 HA ARG A 19 4.807 12.819 -3.121 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.322 12.531 -2.604 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.590 13.459 -1.142 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.694 14.884 -2.916 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.308 15.403 -2.471 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.281 14.468 -4.433 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.880 13.467 -4.759 1.00 0.00 H new ATOM 0 HE ARG A 19 1.701 15.819 -5.062 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.052 15.050 -5.875 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.082 16.134 -7.271 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.723 17.148 -6.896 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.203 17.317 -7.846 1.00 0.00 H new ATOM 330 N GLU A 20 5.113 13.606 0.070 1.00 0.00 N ATOM 331 CA GLU A 20 5.853 14.444 1.013 1.00 0.00 C ATOM 332 C GLU A 20 7.358 14.305 0.813 1.00 0.00 C ATOM 333 O GLU A 20 8.105 15.279 0.922 1.00 0.00 O ATOM 334 CB GLU A 20 5.509 14.079 2.459 1.00 0.00 C ATOM 335 CG GLU A 20 4.045 14.265 2.816 1.00 0.00 C ATOM 336 CD GLU A 20 3.779 14.045 4.290 1.00 0.00 C ATOM 337 OE1 GLU A 20 3.703 12.875 4.719 1.00 0.00 O ATOM 338 OE2 GLU A 20 3.650 15.047 5.024 1.00 0.00 O ATOM 0 H GLU A 20 4.503 12.918 0.511 1.00 0.00 H new ATOM 0 HA GLU A 20 5.560 15.476 0.820 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.785 13.039 2.635 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.115 14.688 3.130 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.731 15.271 2.539 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.440 13.571 2.233 1.00 0.00 H new ATOM 345 N HIS A 21 7.802 13.091 0.519 1.00 0.00 N ATOM 346 CA HIS A 21 9.226 12.820 0.362 1.00 0.00 C ATOM 347 C HIS A 21 9.621 12.854 -1.110 1.00 0.00 C ATOM 348 O HIS A 21 10.694 12.385 -1.485 1.00 0.00 O ATOM 349 CB HIS A 21 9.592 11.469 0.990 1.00 0.00 C ATOM 350 CG HIS A 21 9.351 11.416 2.469 1.00 0.00 C ATOM 351 ND1 HIS A 21 10.296 11.778 3.401 1.00 0.00 N ATOM 352 CD2 HIS A 21 8.254 11.055 3.173 1.00 0.00 C ATOM 353 CE1 HIS A 21 9.790 11.644 4.613 1.00 0.00 C ATOM 354 NE2 HIS A 21 8.547 11.208 4.505 1.00 0.00 N ATOM 0 H HIS A 21 7.199 12.279 0.384 1.00 0.00 H new ATOM 0 HA HIS A 21 9.782 13.600 0.882 1.00 0.00 H new ATOM 0 HB2 HIS A 21 9.012 10.683 0.506 1.00 0.00 H new ATOM 0 HB3 HIS A 21 10.643 11.258 0.793 1.00 0.00 H new ATOM 0 HD2 HIS A 21 7.317 10.709 2.762 1.00 0.00 H new ATOM 0 HE1 HIS A 21 10.306 11.855 5.538 1.00 0.00 H new ATOM 0 HE2 HIS A 21 7.913 11.017 5.281 1.00 0.00 H new ATOM 363 N GLN A 22 8.728 13.403 -1.935 1.00 0.00 N ATOM 364 CA GLN A 22 8.989 13.631 -3.358 1.00 0.00 C ATOM 365 C GLN A 22 9.414 12.354 -4.084 1.00 0.00 C ATOM 366 O GLN A 22 10.171 12.400 -5.056 1.00 0.00 O ATOM 367 CB GLN A 22 10.052 14.719 -3.525 1.00 0.00 C ATOM 368 CG GLN A 22 9.654 16.040 -2.890 1.00 0.00 C ATOM 369 CD GLN A 22 10.686 17.129 -3.089 1.00 0.00 C ATOM 370 OE1 GLN A 22 11.883 16.863 -3.193 1.00 0.00 O ATOM 371 NE2 GLN A 22 10.229 18.367 -3.136 1.00 0.00 N ATOM 0 H GLN A 22 7.801 13.703 -1.635 1.00 0.00 H new ATOM 0 HA GLN A 22 8.055 13.960 -3.814 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.987 14.376 -3.082 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.241 14.875 -4.587 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.703 16.367 -3.311 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.494 15.890 -1.822 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.229 18.545 -3.046 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.876 19.145 -3.263 1.00 0.00 H new ATOM 380 N HIS A 23 8.913 11.216 -3.624 1.00 0.00 N ATOM 381 CA HIS A 23 9.177 9.948 -4.291 1.00 0.00 C ATOM 382 C HIS A 23 7.973 9.539 -5.118 1.00 0.00 C ATOM 383 O HIS A 23 7.969 8.485 -5.756 1.00 0.00 O ATOM 384 CB HIS A 23 9.520 8.843 -3.289 1.00 0.00 C ATOM 385 CG HIS A 23 10.895 8.958 -2.708 1.00 0.00 C ATOM 386 ND1 HIS A 23 12.041 8.664 -3.417 1.00 0.00 N ATOM 387 CD2 HIS A 23 11.308 9.332 -1.475 1.00 0.00 C ATOM 388 CE1 HIS A 23 13.094 8.848 -2.644 1.00 0.00 C ATOM 389 NE2 HIS A 23 12.675 9.253 -1.462 1.00 0.00 N ATOM 0 H HIS A 23 8.324 11.144 -2.795 1.00 0.00 H new ATOM 0 HA HIS A 23 10.040 10.087 -4.943 1.00 0.00 H new ATOM 0 HB2 HIS A 23 8.791 8.861 -2.479 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.424 7.876 -3.782 1.00 0.00 H new ATOM 0 HD2 HIS A 23 10.677 9.636 -0.653 1.00 0.00 H new ATOM 0 HE1 HIS A 23 14.124 8.693 -2.931 1.00 0.00 H new ATOM 0 HE2 HIS A 23 13.273 9.472 -0.665 1.00 0.00 H new ATOM 398 N TRP A 24 6.952 10.381 -5.098 1.00 0.00 N ATOM 399 CA TRP A 24 5.764 10.153 -5.894 1.00 0.00 C ATOM 400 C TRP A 24 6.025 10.587 -7.330 1.00 0.00 C ATOM 401 O TRP A 24 5.933 11.772 -7.663 1.00 0.00 O ATOM 402 CB TRP A 24 4.569 10.910 -5.310 1.00 0.00 C ATOM 403 CG TRP A 24 3.293 10.697 -6.071 1.00 0.00 C ATOM 404 CD1 TRP A 24 2.586 11.637 -6.765 1.00 0.00 C ATOM 405 CD2 TRP A 24 2.579 9.463 -6.224 1.00 0.00 C ATOM 406 NE1 TRP A 24 1.476 11.066 -7.335 1.00 0.00 N ATOM 407 CE2 TRP A 24 1.448 9.732 -7.020 1.00 0.00 C ATOM 408 CE3 TRP A 24 2.784 8.159 -5.765 1.00 0.00 C ATOM 409 CZ2 TRP A 24 0.527 8.745 -7.364 1.00 0.00 C ATOM 410 CZ3 TRP A 24 1.871 7.180 -6.109 1.00 0.00 C ATOM 411 CH2 TRP A 24 0.755 7.477 -6.901 1.00 0.00 C ATOM 0 H TRP A 24 6.926 11.231 -4.535 1.00 0.00 H new ATOM 0 HA TRP A 24 5.525 9.090 -5.881 1.00 0.00 H new ATOM 0 HB2 TRP A 24 4.422 10.598 -4.276 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.798 11.976 -5.292 1.00 0.00 H new ATOM 0 HD1 TRP A 24 2.860 12.678 -6.852 1.00 0.00 H new ATOM 0 HE1 TRP A 24 0.783 11.555 -7.902 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.641 7.920 -5.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -0.335 8.972 -7.974 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.021 6.169 -5.761 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.060 6.689 -7.152 1.00 0.00 H new ATOM 422 N ARG A 25 6.392 9.630 -8.162 1.00 0.00 N ATOM 423 CA ARG A 25 6.688 9.900 -9.556 1.00 0.00 C ATOM 424 C ARG A 25 5.711 9.170 -10.454 1.00 0.00 C ATOM 425 O ARG A 25 5.325 8.036 -10.175 1.00 0.00 O ATOM 426 CB ARG A 25 8.110 9.463 -9.905 1.00 0.00 C ATOM 427 CG ARG A 25 9.202 10.283 -9.240 1.00 0.00 C ATOM 428 CD ARG A 25 10.573 9.769 -9.642 1.00 0.00 C ATOM 429 NE ARG A 25 11.661 10.576 -9.096 1.00 0.00 N ATOM 430 CZ ARG A 25 12.941 10.223 -9.163 1.00 0.00 C ATOM 431 NH1 ARG A 25 13.277 9.047 -9.675 1.00 0.00 N ATOM 432 NH2 ARG A 25 13.883 11.031 -8.696 1.00 0.00 N ATOM 0 H ARG A 25 6.493 8.651 -7.893 1.00 0.00 H new ATOM 0 HA ARG A 25 6.596 10.975 -9.713 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.235 8.418 -9.622 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.239 9.519 -10.986 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.102 11.331 -9.524 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.092 10.235 -8.157 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.684 8.739 -9.302 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.647 9.755 -10.729 1.00 0.00 H new ATOM 0 HE ARG A 25 11.426 11.457 -8.639 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.554 8.414 -10.017 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.259 8.775 -9.727 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.627 11.928 -8.283 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.864 10.756 -8.750 1.00 0.00 H new ATOM 446 N ASN A 26 5.313 9.821 -11.529 1.00 0.00 N ATOM 447 CA ASN A 26 4.464 9.193 -12.522 1.00 0.00 C ATOM 448 C ASN A 26 5.250 9.009 -13.811 1.00 0.00 C ATOM 449 O ASN A 26 5.450 9.960 -14.566 1.00 0.00 O ATOM 450 CB ASN A 26 3.206 10.034 -12.782 1.00 0.00 C ATOM 451 CG ASN A 26 2.224 9.340 -13.709 1.00 0.00 C ATOM 452 OD1 ASN A 26 1.351 8.597 -13.258 1.00 0.00 O ATOM 453 ND2 ASN A 26 2.350 9.583 -15.005 1.00 0.00 N ATOM 0 H ASN A 26 5.565 10.787 -11.738 1.00 0.00 H new ATOM 0 HA ASN A 26 4.144 8.221 -12.147 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.715 10.250 -11.833 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.496 10.991 -13.216 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.710 9.148 -15.670 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.087 10.205 -15.338 1.00 0.00 H new ATOM 460 N ASP A 27 5.735 7.801 -14.034 1.00 0.00 N ATOM 461 CA ASP A 27 6.491 7.499 -15.242 1.00 0.00 C ATOM 462 C ASP A 27 5.629 6.658 -16.173 1.00 0.00 C ATOM 463 O ASP A 27 4.485 6.346 -15.840 1.00 0.00 O ATOM 464 CB ASP A 27 7.788 6.761 -14.888 1.00 0.00 C ATOM 465 CG ASP A 27 8.840 6.871 -15.975 1.00 0.00 C ATOM 466 OD1 ASP A 27 9.636 7.830 -15.939 1.00 0.00 O ATOM 467 OD2 ASP A 27 8.878 6.004 -16.874 1.00 0.00 O ATOM 0 H ASP A 27 5.621 7.012 -13.397 1.00 0.00 H new ATOM 0 HA ASP A 27 6.760 8.427 -15.746 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.189 7.165 -13.958 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.565 5.709 -14.709 1.00 0.00 H new ATOM 472 N GLU A 28 6.162 6.292 -17.326 1.00 0.00 N ATOM 473 CA GLU A 28 5.407 5.509 -18.289 1.00 0.00 C ATOM 474 C GLU A 28 5.721 4.026 -18.115 1.00 0.00 C ATOM 475 O GLU A 28 6.836 3.581 -18.400 1.00 0.00 O ATOM 476 CB GLU A 28 5.728 5.950 -19.719 1.00 0.00 C ATOM 477 CG GLU A 28 5.642 7.456 -19.940 1.00 0.00 C ATOM 478 CD GLU A 28 4.314 8.052 -19.512 1.00 0.00 C ATOM 479 OE1 GLU A 28 3.275 7.685 -20.091 1.00 0.00 O ATOM 480 OE2 GLU A 28 4.307 8.909 -18.597 1.00 0.00 O ATOM 0 H GLU A 28 7.112 6.524 -17.618 1.00 0.00 H new ATOM 0 HA GLU A 28 4.344 5.674 -18.110 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.732 5.613 -19.975 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.041 5.453 -20.404 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.446 7.943 -19.388 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.805 7.671 -20.996 1.00 0.00 H new ATOM 487 N PRO A 29 4.751 3.248 -17.621 1.00 0.00 N ATOM 488 CA PRO A 29 4.924 1.814 -17.381 1.00 0.00 C ATOM 489 C PRO A 29 5.045 1.024 -18.679 1.00 0.00 C ATOM 490 O PRO A 29 4.433 1.370 -19.691 1.00 0.00 O ATOM 491 CB PRO A 29 3.653 1.409 -16.621 1.00 0.00 C ATOM 492 CG PRO A 29 3.004 2.692 -16.219 1.00 0.00 C ATOM 493 CD PRO A 29 3.404 3.695 -17.256 1.00 0.00 C ATOM 0 HA PRO A 29 5.841 1.605 -16.830 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.991 0.815 -17.251 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.894 0.801 -15.749 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.920 2.585 -16.176 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.333 3.003 -15.227 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.728 3.688 -18.111 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.406 4.710 -16.860 1.00 0.00 H new ATOM 501 N GLN A 30 5.832 -0.037 -18.645 1.00 0.00 N ATOM 502 CA GLN A 30 6.071 -0.845 -19.828 1.00 0.00 C ATOM 503 C GLN A 30 5.182 -2.082 -19.812 1.00 0.00 C ATOM 504 O GLN A 30 4.974 -2.683 -18.760 1.00 0.00 O ATOM 505 CB GLN A 30 7.544 -1.259 -19.893 1.00 0.00 C ATOM 506 CG GLN A 30 8.512 -0.090 -19.766 1.00 0.00 C ATOM 507 CD GLN A 30 8.373 0.919 -20.891 1.00 0.00 C ATOM 508 OE1 GLN A 30 8.038 0.567 -22.023 1.00 0.00 O ATOM 509 NE2 GLN A 30 8.632 2.182 -20.587 1.00 0.00 N ATOM 0 H GLN A 30 6.318 -0.360 -17.808 1.00 0.00 H new ATOM 0 HA GLN A 30 5.830 -0.252 -20.710 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.747 -1.976 -19.097 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.728 -1.771 -20.838 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.345 0.411 -18.813 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.533 -0.471 -19.751 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.907 2.432 -19.637 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.557 2.905 -21.303 1.00 0.00 H new ATOM 518 N PRO A 31 4.635 -2.479 -20.970 1.00 0.00 N ATOM 519 CA PRO A 31 3.809 -3.688 -21.076 1.00 0.00 C ATOM 520 C PRO A 31 4.581 -4.935 -20.656 1.00 0.00 C ATOM 521 O PRO A 31 4.037 -5.830 -20.008 1.00 0.00 O ATOM 522 CB PRO A 31 3.436 -3.753 -22.563 1.00 0.00 C ATOM 523 CG PRO A 31 4.398 -2.845 -23.255 1.00 0.00 C ATOM 524 CD PRO A 31 4.759 -1.780 -22.260 1.00 0.00 C ATOM 0 HA PRO A 31 2.939 -3.650 -20.421 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.515 -4.771 -22.943 1.00 0.00 H new ATOM 0 HB3 PRO A 31 2.407 -3.431 -22.724 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.284 -3.391 -23.579 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.948 -2.408 -24.147 1.00 0.00 H new ATOM 0 HD2 PRO A 31 5.769 -1.404 -22.420 1.00 0.00 H new ATOM 0 HD3 PRO A 31 4.086 -0.924 -22.322 1.00 0.00 H new ATOM 532 N HIS A 32 5.863 -4.958 -21.001 1.00 0.00 N ATOM 533 CA HIS A 32 6.751 -6.063 -20.653 1.00 0.00 C ATOM 534 C HIS A 32 6.830 -6.235 -19.138 1.00 0.00 C ATOM 535 O HIS A 32 6.991 -7.348 -18.631 1.00 0.00 O ATOM 536 CB HIS A 32 8.147 -5.793 -21.222 1.00 0.00 C ATOM 537 CG HIS A 32 9.114 -6.921 -21.033 1.00 0.00 C ATOM 538 ND1 HIS A 32 9.345 -7.872 -21.995 1.00 0.00 N ATOM 539 CD2 HIS A 32 9.908 -7.244 -19.987 1.00 0.00 C ATOM 540 CE1 HIS A 32 10.238 -8.734 -21.552 1.00 0.00 C ATOM 541 NE2 HIS A 32 10.598 -8.378 -20.333 1.00 0.00 N ATOM 0 H HIS A 32 6.317 -4.213 -21.529 1.00 0.00 H new ATOM 0 HA HIS A 32 6.353 -6.983 -21.082 1.00 0.00 H new ATOM 0 HB2 HIS A 32 8.058 -5.580 -22.287 1.00 0.00 H new ATOM 0 HB3 HIS A 32 8.553 -4.898 -20.750 1.00 0.00 H new ATOM 0 HD2 HIS A 32 9.985 -6.708 -19.052 1.00 0.00 H new ATOM 0 HE1 HIS A 32 10.613 -9.589 -22.095 1.00 0.00 H new ATOM 0 HE2 HIS A 32 11.276 -8.865 -19.746 1.00 0.00 H new ATOM 550 N GLN A 33 6.708 -5.122 -18.429 1.00 0.00 N ATOM 551 CA GLN A 33 6.780 -5.109 -16.976 1.00 0.00 C ATOM 552 C GLN A 33 5.682 -5.993 -16.392 1.00 0.00 C ATOM 553 O GLN A 33 5.948 -6.913 -15.621 1.00 0.00 O ATOM 554 CB GLN A 33 6.624 -3.670 -16.483 1.00 0.00 C ATOM 555 CG GLN A 33 7.544 -3.284 -15.342 1.00 0.00 C ATOM 556 CD GLN A 33 7.490 -1.794 -15.057 1.00 0.00 C ATOM 557 OE1 GLN A 33 7.226 -0.988 -15.954 1.00 0.00 O ATOM 558 NE2 GLN A 33 7.749 -1.412 -13.818 1.00 0.00 N ATOM 0 H GLN A 33 6.556 -4.203 -18.845 1.00 0.00 H new ATOM 0 HA GLN A 33 7.744 -5.500 -16.651 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.802 -2.993 -17.319 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.592 -3.520 -16.165 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.263 -3.836 -14.445 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.567 -3.571 -15.586 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.963 -2.108 -13.104 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.735 -0.421 -13.576 1.00 0.00 H new ATOM 567 N PHE A 34 4.452 -5.734 -16.810 1.00 0.00 N ATOM 568 CA PHE A 34 3.300 -6.466 -16.303 1.00 0.00 C ATOM 569 C PHE A 34 3.191 -7.842 -16.953 1.00 0.00 C ATOM 570 O PHE A 34 2.591 -8.759 -16.389 1.00 0.00 O ATOM 571 CB PHE A 34 2.019 -5.661 -16.537 1.00 0.00 C ATOM 572 CG PHE A 34 2.030 -4.326 -15.852 1.00 0.00 C ATOM 573 CD1 PHE A 34 1.653 -4.212 -14.524 1.00 0.00 C ATOM 574 CD2 PHE A 34 2.426 -3.185 -16.531 1.00 0.00 C ATOM 575 CE1 PHE A 34 1.669 -2.986 -13.887 1.00 0.00 C ATOM 576 CE2 PHE A 34 2.446 -1.957 -15.899 1.00 0.00 C ATOM 577 CZ PHE A 34 2.067 -1.858 -14.575 1.00 0.00 C ATOM 0 H PHE A 34 4.225 -5.020 -17.502 1.00 0.00 H new ATOM 0 HA PHE A 34 3.435 -6.612 -15.231 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.881 -5.512 -17.608 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.165 -6.238 -16.183 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.343 -5.092 -13.980 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.723 -3.257 -17.567 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.370 -2.911 -12.852 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.758 -1.076 -16.440 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.082 -0.899 -14.079 1.00 0.00 H new ATOM 587 N ASN A 35 3.796 -7.992 -18.125 1.00 0.00 N ATOM 588 CA ASN A 35 3.763 -9.265 -18.844 1.00 0.00 C ATOM 589 C ASN A 35 4.681 -10.275 -18.170 1.00 0.00 C ATOM 590 O ASN A 35 4.561 -11.483 -18.378 1.00 0.00 O ATOM 591 CB ASN A 35 4.165 -9.078 -20.312 1.00 0.00 C ATOM 592 CG ASN A 35 3.938 -10.335 -21.136 1.00 0.00 C ATOM 593 OD1 ASN A 35 3.031 -11.119 -20.860 1.00 0.00 O ATOM 594 ND2 ASN A 35 4.759 -10.534 -22.152 1.00 0.00 N ATOM 0 H ASN A 35 4.314 -7.252 -18.599 1.00 0.00 H new ATOM 0 HA ASN A 35 2.741 -9.644 -18.818 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.592 -8.256 -20.742 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.217 -8.796 -20.366 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.652 -11.361 -22.739 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.499 -9.861 -22.349 1.00 0.00 H new ATOM 601 N SER A 36 5.592 -9.774 -17.347 1.00 0.00 N ATOM 602 CA SER A 36 6.416 -10.636 -16.520 1.00 0.00 C ATOM 603 C SER A 36 5.528 -11.319 -15.482 1.00 0.00 C ATOM 604 O SER A 36 5.816 -12.426 -15.025 1.00 0.00 O ATOM 605 CB SER A 36 7.520 -9.824 -15.843 1.00 0.00 C ATOM 606 OG SER A 36 8.273 -9.093 -16.803 1.00 0.00 O ATOM 0 H SER A 36 5.777 -8.777 -17.236 1.00 0.00 H new ATOM 0 HA SER A 36 6.894 -11.395 -17.139 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.080 -9.137 -15.120 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.180 -10.491 -15.289 1.00 0.00 H new ATOM 0 HG SER A 36 7.691 -8.443 -17.249 1.00 0.00 H new ATOM 612 N THR A 37 4.440 -10.627 -15.133 1.00 0.00 N ATOM 613 CA THR A 37 3.383 -11.175 -14.293 1.00 0.00 C ATOM 614 C THR A 37 3.931 -11.702 -12.961 1.00 0.00 C ATOM 615 O THR A 37 3.789 -12.877 -12.619 1.00 0.00 O ATOM 616 CB THR A 37 2.606 -12.268 -15.059 1.00 0.00 C ATOM 617 OG1 THR A 37 2.230 -11.764 -16.350 1.00 0.00 O ATOM 618 CG2 THR A 37 1.349 -12.692 -14.310 1.00 0.00 C ATOM 0 H THR A 37 4.271 -9.666 -15.429 1.00 0.00 H new ATOM 0 HA THR A 37 2.691 -10.369 -14.049 1.00 0.00 H new ATOM 0 HB THR A 37 3.256 -13.137 -15.158 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.283 -10.785 -16.347 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.829 -13.462 -14.879 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.624 -13.087 -13.332 1.00 0.00 H new ATOM 0 HG23 THR A 37 0.694 -11.830 -14.182 1.00 0.00 H new ATOM 626 N GLN A 38 4.574 -10.813 -12.219 1.00 0.00 N ATOM 627 CA GLN A 38 5.061 -11.134 -10.889 1.00 0.00 C ATOM 628 C GLN A 38 4.295 -10.324 -9.855 1.00 0.00 C ATOM 629 O GLN A 38 3.956 -9.170 -10.103 1.00 0.00 O ATOM 630 CB GLN A 38 6.559 -10.853 -10.771 1.00 0.00 C ATOM 631 CG GLN A 38 7.425 -11.817 -11.565 1.00 0.00 C ATOM 632 CD GLN A 38 8.904 -11.602 -11.315 1.00 0.00 C ATOM 633 OE1 GLN A 38 9.351 -10.480 -11.068 1.00 0.00 O ATOM 634 NE2 GLN A 38 9.673 -12.675 -11.365 1.00 0.00 N ATOM 0 H GLN A 38 4.771 -9.858 -12.519 1.00 0.00 H new ATOM 0 HA GLN A 38 4.901 -12.197 -10.709 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.757 -9.836 -11.111 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.847 -10.900 -9.721 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.160 -12.841 -11.302 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.217 -11.697 -12.628 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.264 -13.586 -11.573 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.675 -12.592 -11.196 1.00 0.00 H new ATOM 643 N PRO A 39 4.015 -10.917 -8.683 1.00 0.00 N ATOM 644 CA PRO A 39 3.221 -10.271 -7.632 1.00 0.00 C ATOM 645 C PRO A 39 3.803 -8.935 -7.189 1.00 0.00 C ATOM 646 O PRO A 39 3.079 -7.953 -7.048 1.00 0.00 O ATOM 647 CB PRO A 39 3.250 -11.278 -6.472 1.00 0.00 C ATOM 648 CG PRO A 39 4.365 -12.214 -6.790 1.00 0.00 C ATOM 649 CD PRO A 39 4.445 -12.266 -8.287 1.00 0.00 C ATOM 0 HA PRO A 39 2.216 -10.038 -7.983 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.418 -10.776 -5.519 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.302 -11.810 -6.389 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.304 -11.863 -6.361 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.175 -13.204 -6.375 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.456 -12.486 -8.631 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.794 -13.036 -8.700 1.00 0.00 H new ATOM 657 N PHE A 40 5.113 -8.908 -6.984 1.00 0.00 N ATOM 658 CA PHE A 40 5.792 -7.705 -6.507 1.00 0.00 C ATOM 659 C PHE A 40 6.682 -7.099 -7.581 1.00 0.00 C ATOM 660 O PHE A 40 7.293 -6.056 -7.357 1.00 0.00 O ATOM 661 CB PHE A 40 6.647 -8.018 -5.281 1.00 0.00 C ATOM 662 CG PHE A 40 5.864 -8.395 -4.060 1.00 0.00 C ATOM 663 CD1 PHE A 40 5.404 -7.421 -3.193 1.00 0.00 C ATOM 664 CD2 PHE A 40 5.602 -9.723 -3.772 1.00 0.00 C ATOM 665 CE1 PHE A 40 4.697 -7.763 -2.059 1.00 0.00 C ATOM 666 CE2 PHE A 40 4.894 -10.071 -2.642 1.00 0.00 C ATOM 667 CZ PHE A 40 4.441 -9.091 -1.784 1.00 0.00 C ATOM 0 H PHE A 40 5.730 -9.705 -7.140 1.00 0.00 H new ATOM 0 HA PHE A 40 5.015 -6.986 -6.245 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.328 -8.833 -5.527 1.00 0.00 H new ATOM 0 HB3 PHE A 40 7.261 -7.148 -5.050 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.600 -6.381 -3.406 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.956 -10.495 -4.440 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.345 -6.994 -1.388 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.694 -11.111 -2.429 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.887 -9.362 -0.898 1.00 0.00 H new ATOM 677 N PHE A 41 6.745 -7.754 -8.741 1.00 0.00 N ATOM 678 CA PHE A 41 7.650 -7.353 -9.819 1.00 0.00 C ATOM 679 C PHE A 41 9.087 -7.256 -9.305 1.00 0.00 C ATOM 680 O PHE A 41 9.574 -6.187 -8.941 1.00 0.00 O ATOM 681 CB PHE A 41 7.198 -6.033 -10.450 1.00 0.00 C ATOM 682 CG PHE A 41 5.823 -6.108 -11.052 1.00 0.00 C ATOM 683 CD1 PHE A 41 5.611 -6.781 -12.245 1.00 0.00 C ATOM 684 CD2 PHE A 41 4.742 -5.516 -10.421 1.00 0.00 C ATOM 685 CE1 PHE A 41 4.348 -6.860 -12.797 1.00 0.00 C ATOM 686 CE2 PHE A 41 3.475 -5.594 -10.967 1.00 0.00 C ATOM 687 CZ PHE A 41 3.279 -6.267 -12.157 1.00 0.00 C ATOM 0 H PHE A 41 6.175 -8.571 -8.959 1.00 0.00 H new ATOM 0 HA PHE A 41 7.619 -8.118 -10.595 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.214 -5.250 -9.692 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.911 -5.743 -11.222 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.444 -7.249 -12.749 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.891 -4.987 -9.491 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.197 -7.385 -13.728 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.640 -5.130 -10.464 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.290 -6.329 -12.586 1.00 0.00 H new ATOM 697 N MET A 42 9.754 -8.400 -9.257 1.00 0.00 N ATOM 698 CA MET A 42 11.069 -8.492 -8.642 1.00 0.00 C ATOM 699 C MET A 42 12.162 -8.535 -9.702 1.00 0.00 C ATOM 700 O MET A 42 13.211 -7.906 -9.553 1.00 0.00 O ATOM 701 CB MET A 42 11.139 -9.743 -7.759 1.00 0.00 C ATOM 702 CG MET A 42 10.012 -9.831 -6.737 1.00 0.00 C ATOM 703 SD MET A 42 10.015 -11.385 -5.821 1.00 0.00 S ATOM 704 CE MET A 42 8.521 -11.212 -4.842 1.00 0.00 C ATOM 0 H MET A 42 9.405 -9.279 -9.638 1.00 0.00 H new ATOM 0 HA MET A 42 11.229 -7.606 -8.027 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.112 -10.628 -8.394 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.095 -9.755 -7.236 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.099 -9.001 -6.035 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.056 -9.718 -7.248 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.471 -12.018 -4.109 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.534 -10.252 -4.326 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.650 -11.261 -5.496 1.00 0.00 H new ATOM 714 N ASP A 43 11.908 -9.273 -10.778 1.00 0.00 N ATOM 715 CA ASP A 43 12.892 -9.438 -11.845 1.00 0.00 C ATOM 716 C ASP A 43 12.761 -8.342 -12.891 1.00 0.00 C ATOM 717 O ASP A 43 13.669 -8.140 -13.700 1.00 0.00 O ATOM 718 CB ASP A 43 12.741 -10.799 -12.527 1.00 0.00 C ATOM 719 CG ASP A 43 13.177 -11.955 -11.655 1.00 0.00 C ATOM 720 OD1 ASP A 43 14.390 -12.242 -11.602 1.00 0.00 O ATOM 721 OD2 ASP A 43 12.301 -12.601 -11.044 1.00 0.00 O ATOM 0 H ASP A 43 11.029 -9.767 -10.935 1.00 0.00 H new ATOM 0 HA ASP A 43 13.877 -9.374 -11.382 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.699 -10.941 -12.813 1.00 0.00 H new ATOM 0 HB3 ASP A 43 13.327 -10.804 -13.446 1.00 0.00 H new ATOM 726 N THR A 44 11.629 -7.645 -12.879 1.00 0.00 N ATOM 727 CA THR A 44 11.360 -6.605 -13.864 1.00 0.00 C ATOM 728 C THR A 44 12.400 -5.496 -13.771 1.00 0.00 C ATOM 729 O THR A 44 13.192 -5.294 -14.692 1.00 0.00 O ATOM 730 CB THR A 44 9.950 -6.013 -13.681 1.00 0.00 C ATOM 731 OG1 THR A 44 9.731 -5.696 -12.301 1.00 0.00 O ATOM 732 CG2 THR A 44 8.885 -6.990 -14.157 1.00 0.00 C ATOM 0 H THR A 44 10.883 -7.782 -12.197 1.00 0.00 H new ATOM 0 HA THR A 44 11.416 -7.065 -14.851 1.00 0.00 H new ATOM 0 HB THR A 44 9.879 -5.105 -14.280 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.367 -4.789 -12.227 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.898 -6.549 -14.017 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.038 -7.209 -15.214 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.955 -7.913 -13.581 1.00 0.00 H new ATOM 740 N MET A 45 12.405 -4.792 -12.653 1.00 0.00 N ATOM 741 CA MET A 45 13.400 -3.768 -12.401 1.00 0.00 C ATOM 742 C MET A 45 13.829 -3.807 -10.940 1.00 0.00 C ATOM 743 O MET A 45 14.900 -4.322 -10.621 1.00 0.00 O ATOM 744 CB MET A 45 12.855 -2.388 -12.778 1.00 0.00 C ATOM 745 CG MET A 45 13.795 -1.238 -12.459 1.00 0.00 C ATOM 746 SD MET A 45 13.098 0.366 -12.907 1.00 0.00 S ATOM 747 CE MET A 45 11.540 0.315 -12.025 1.00 0.00 C ATOM 0 H MET A 45 11.726 -4.913 -11.902 1.00 0.00 H new ATOM 0 HA MET A 45 14.275 -3.963 -13.021 1.00 0.00 H new ATOM 0 HB2 MET A 45 12.634 -2.376 -13.845 1.00 0.00 H new ATOM 0 HB3 MET A 45 11.912 -2.227 -12.256 1.00 0.00 H new ATOM 0 HG2 MET A 45 14.026 -1.246 -11.394 1.00 0.00 H new ATOM 0 HG3 MET A 45 14.736 -1.383 -12.990 1.00 0.00 H new ATOM 0 HE1 MET A 45 11.247 1.327 -11.745 1.00 0.00 H new ATOM 0 HE2 MET A 45 10.773 -0.120 -12.666 1.00 0.00 H new ATOM 0 HE3 MET A 45 11.650 -0.293 -11.127 1.00 0.00 H new ATOM 757 N GLU A 46 12.974 -3.302 -10.055 1.00 0.00 N ATOM 758 CA GLU A 46 13.269 -3.242 -8.624 1.00 0.00 C ATOM 759 C GLU A 46 11.972 -3.190 -7.827 1.00 0.00 C ATOM 760 O GLU A 46 11.086 -2.409 -8.146 1.00 0.00 O ATOM 761 CB GLU A 46 14.134 -2.019 -8.291 1.00 0.00 C ATOM 762 CG GLU A 46 15.579 -2.153 -8.739 1.00 0.00 C ATOM 763 CD GLU A 46 16.387 -0.897 -8.523 1.00 0.00 C ATOM 764 OE1 GLU A 46 16.429 -0.052 -9.440 1.00 0.00 O ATOM 765 OE2 GLU A 46 17.004 -0.759 -7.448 1.00 0.00 O ATOM 0 H GLU A 46 12.061 -2.924 -10.307 1.00 0.00 H new ATOM 0 HA GLU A 46 13.825 -4.140 -8.353 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.698 -1.138 -8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.111 -1.851 -7.214 1.00 0.00 H new ATOM 0 HG2 GLU A 46 16.046 -2.975 -8.197 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.602 -2.415 -9.797 1.00 0.00 H new ATOM 772 N PRO A 47 11.864 -3.993 -6.753 1.00 0.00 N ATOM 773 CA PRO A 47 10.622 -4.132 -5.962 1.00 0.00 C ATOM 774 C PRO A 47 10.119 -2.824 -5.338 1.00 0.00 C ATOM 775 O PRO A 47 9.099 -2.814 -4.648 1.00 0.00 O ATOM 776 CB PRO A 47 11.010 -5.121 -4.857 1.00 0.00 C ATOM 777 CG PRO A 47 12.198 -5.845 -5.387 1.00 0.00 C ATOM 778 CD PRO A 47 12.940 -4.848 -6.226 1.00 0.00 C ATOM 0 HA PRO A 47 9.799 -4.456 -6.599 1.00 0.00 H new ATOM 0 HB2 PRO A 47 11.246 -4.602 -3.928 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.193 -5.809 -4.639 1.00 0.00 H new ATOM 0 HG2 PRO A 47 12.824 -6.217 -4.576 1.00 0.00 H new ATOM 0 HG3 PRO A 47 11.898 -6.709 -5.980 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.656 -4.277 -5.635 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.500 -5.331 -7.026 1.00 0.00 H new ATOM 786 N LEU A 48 10.831 -1.731 -5.573 1.00 0.00 N ATOM 787 CA LEU A 48 10.415 -0.426 -5.082 1.00 0.00 C ATOM 788 C LEU A 48 9.410 0.206 -6.050 1.00 0.00 C ATOM 789 O LEU A 48 8.666 1.116 -5.684 1.00 0.00 O ATOM 790 CB LEU A 48 11.635 0.487 -4.903 1.00 0.00 C ATOM 791 CG LEU A 48 11.357 1.822 -4.204 1.00 0.00 C ATOM 792 CD1 LEU A 48 10.831 1.589 -2.797 1.00 0.00 C ATOM 793 CD2 LEU A 48 12.615 2.674 -4.169 1.00 0.00 C ATOM 0 H LEU A 48 11.703 -1.723 -6.103 1.00 0.00 H new ATOM 0 HA LEU A 48 9.932 -0.552 -4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.391 -0.052 -4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.062 0.692 -5.885 1.00 0.00 H new ATOM 0 HG LEU A 48 10.594 2.356 -4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.639 2.549 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.905 1.016 -2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.571 1.035 -2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.401 3.619 -3.669 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.398 2.145 -3.625 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.950 2.870 -5.188 1.00 0.00 H new ATOM 805 N GLU A 49 9.381 -0.305 -7.282 1.00 0.00 N ATOM 806 CA GLU A 49 8.448 0.173 -8.306 1.00 0.00 C ATOM 807 C GLU A 49 7.017 -0.183 -7.918 1.00 0.00 C ATOM 808 O GLU A 49 6.054 0.463 -8.339 1.00 0.00 O ATOM 809 CB GLU A 49 8.793 -0.452 -9.669 1.00 0.00 C ATOM 810 CG GLU A 49 8.626 -1.969 -9.710 1.00 0.00 C ATOM 811 CD GLU A 49 9.261 -2.608 -10.932 1.00 0.00 C ATOM 812 OE1 GLU A 49 10.502 -2.733 -10.961 1.00 0.00 O ATOM 813 OE2 GLU A 49 8.525 -2.997 -11.861 1.00 0.00 O ATOM 0 H GLU A 49 9.997 -1.055 -7.597 1.00 0.00 H new ATOM 0 HA GLU A 49 8.535 1.257 -8.382 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.159 -0.005 -10.434 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.823 -0.202 -9.923 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.067 -2.401 -8.812 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.564 -2.212 -9.692 1.00 0.00 H new ATOM 820 N TRP A 50 6.908 -1.201 -7.081 1.00 0.00 N ATOM 821 CA TRP A 50 5.634 -1.774 -6.694 1.00 0.00 C ATOM 822 C TRP A 50 4.787 -0.787 -5.887 1.00 0.00 C ATOM 823 O TRP A 50 3.568 -0.728 -6.047 1.00 0.00 O ATOM 824 CB TRP A 50 5.903 -3.038 -5.883 1.00 0.00 C ATOM 825 CG TRP A 50 4.710 -3.912 -5.705 1.00 0.00 C ATOM 826 CD1 TRP A 50 4.173 -4.748 -6.633 1.00 0.00 C ATOM 827 CD2 TRP A 50 3.916 -4.051 -4.527 1.00 0.00 C ATOM 828 NE1 TRP A 50 3.090 -5.400 -6.107 1.00 0.00 N ATOM 829 CE2 TRP A 50 2.911 -4.991 -4.813 1.00 0.00 C ATOM 830 CE3 TRP A 50 3.959 -3.475 -3.257 1.00 0.00 C ATOM 831 CZ2 TRP A 50 1.954 -5.365 -3.876 1.00 0.00 C ATOM 832 CZ3 TRP A 50 3.010 -3.846 -2.328 1.00 0.00 C ATOM 833 CH2 TRP A 50 2.023 -4.786 -2.640 1.00 0.00 C ATOM 0 H TRP A 50 7.711 -1.656 -6.648 1.00 0.00 H new ATOM 0 HA TRP A 50 5.065 -2.014 -7.592 1.00 0.00 H new ATOM 0 HB2 TRP A 50 6.690 -3.611 -6.374 1.00 0.00 H new ATOM 0 HB3 TRP A 50 6.281 -2.753 -4.901 1.00 0.00 H new ATOM 0 HD1 TRP A 50 4.546 -4.879 -7.638 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.511 -6.080 -6.599 1.00 0.00 H new ATOM 0 HE3 TRP A 50 4.721 -2.752 -3.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.186 -6.085 -4.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.029 -3.403 -1.343 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.299 -5.061 -1.887 1.00 0.00 H new ATOM 844 N LEU A 51 5.439 0.001 -5.039 1.00 0.00 N ATOM 845 CA LEU A 51 4.730 0.920 -4.153 1.00 0.00 C ATOM 846 C LEU A 51 4.151 2.112 -4.909 1.00 0.00 C ATOM 847 O LEU A 51 3.193 2.732 -4.451 1.00 0.00 O ATOM 848 CB LEU A 51 5.658 1.426 -3.045 1.00 0.00 C ATOM 849 CG LEU A 51 6.056 0.388 -1.997 1.00 0.00 C ATOM 850 CD1 LEU A 51 7.009 0.999 -0.980 1.00 0.00 C ATOM 851 CD2 LEU A 51 4.821 -0.166 -1.303 1.00 0.00 C ATOM 0 H LEU A 51 6.454 0.023 -4.946 1.00 0.00 H new ATOM 0 HA LEU A 51 3.904 0.360 -3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.565 1.819 -3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.171 2.260 -2.539 1.00 0.00 H new ATOM 0 HG LEU A 51 6.567 -0.433 -2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.283 0.247 -0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.906 1.352 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.521 1.837 -0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.122 -0.904 -0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.285 0.646 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.170 -0.637 -2.040 1.00 0.00 H new ATOM 863 N GLN A 52 4.723 2.426 -6.063 1.00 0.00 N ATOM 864 CA GLN A 52 4.323 3.618 -6.800 1.00 0.00 C ATOM 865 C GLN A 52 3.026 3.404 -7.578 1.00 0.00 C ATOM 866 O GLN A 52 1.946 3.748 -7.101 1.00 0.00 O ATOM 867 CB GLN A 52 5.441 4.076 -7.739 1.00 0.00 C ATOM 868 CG GLN A 52 6.643 4.659 -7.010 1.00 0.00 C ATOM 869 CD GLN A 52 7.731 5.134 -7.953 1.00 0.00 C ATOM 870 OE1 GLN A 52 7.919 4.580 -9.035 1.00 0.00 O ATOM 871 NE2 GLN A 52 8.447 6.175 -7.557 1.00 0.00 N ATOM 0 H GLN A 52 5.460 1.878 -6.507 1.00 0.00 H new ATOM 0 HA GLN A 52 4.137 4.402 -6.066 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.767 3.229 -8.343 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.045 4.824 -8.426 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.316 5.494 -6.390 1.00 0.00 H new ATOM 0 HG3 GLN A 52 7.055 3.906 -6.338 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.261 6.607 -6.652 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.185 6.544 -8.157 1.00 0.00 H new ATOM 880 N TRP A 53 3.121 2.825 -8.767 1.00 0.00 N ATOM 881 CA TRP A 53 1.961 2.739 -9.646 1.00 0.00 C ATOM 882 C TRP A 53 1.376 1.326 -9.673 1.00 0.00 C ATOM 883 O TRP A 53 0.502 1.019 -10.479 1.00 0.00 O ATOM 884 CB TRP A 53 2.336 3.195 -11.065 1.00 0.00 C ATOM 885 CG TRP A 53 1.144 3.520 -11.918 1.00 0.00 C ATOM 886 CD1 TRP A 53 0.342 4.619 -11.812 1.00 0.00 C ATOM 887 CD2 TRP A 53 0.619 2.742 -13.001 1.00 0.00 C ATOM 888 NE1 TRP A 53 -0.656 4.567 -12.756 1.00 0.00 N ATOM 889 CE2 TRP A 53 -0.506 3.426 -13.498 1.00 0.00 C ATOM 890 CE3 TRP A 53 0.987 1.533 -13.596 1.00 0.00 C ATOM 891 CZ2 TRP A 53 -1.261 2.943 -14.565 1.00 0.00 C ATOM 892 CZ3 TRP A 53 0.235 1.053 -14.652 1.00 0.00 C ATOM 893 CH2 TRP A 53 -0.877 1.756 -15.126 1.00 0.00 C ATOM 0 H TRP A 53 3.975 2.413 -9.142 1.00 0.00 H new ATOM 0 HA TRP A 53 1.193 3.403 -9.251 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.978 4.074 -10.999 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.918 2.411 -11.549 1.00 0.00 H new ATOM 0 HD1 TRP A 53 0.472 5.413 -11.092 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.389 5.265 -12.883 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.844 0.983 -13.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -2.118 3.486 -14.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.511 0.119 -15.119 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.444 1.353 -15.952 1.00 0.00 H new ATOM 904 N VAL A 54 1.831 0.462 -8.784 1.00 0.00 N ATOM 905 CA VAL A 54 1.289 -0.885 -8.741 1.00 0.00 C ATOM 906 C VAL A 54 0.306 -1.044 -7.589 1.00 0.00 C ATOM 907 O VAL A 54 -0.891 -1.179 -7.816 1.00 0.00 O ATOM 908 CB VAL A 54 2.380 -1.965 -8.633 1.00 0.00 C ATOM 909 CG1 VAL A 54 1.751 -3.352 -8.696 1.00 0.00 C ATOM 910 CG2 VAL A 54 3.417 -1.797 -9.733 1.00 0.00 C ATOM 0 H VAL A 54 2.558 0.661 -8.096 1.00 0.00 H new ATOM 0 HA VAL A 54 0.770 -1.029 -9.689 1.00 0.00 H new ATOM 0 HB VAL A 54 2.885 -1.853 -7.674 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.531 -4.109 -8.619 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.048 -3.470 -7.872 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.224 -3.470 -9.643 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.178 -2.571 -9.637 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.933 -1.883 -10.706 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.884 -0.816 -9.646 1.00 0.00 H new ATOM 920 N LEU A 55 0.816 -1.002 -6.361 1.00 0.00 N ATOM 921 CA LEU A 55 0.006 -1.263 -5.169 1.00 0.00 C ATOM 922 C LEU A 55 -1.256 -0.404 -5.122 1.00 0.00 C ATOM 923 O LEU A 55 -2.365 -0.931 -4.999 1.00 0.00 O ATOM 924 CB LEU A 55 0.839 -1.034 -3.903 1.00 0.00 C ATOM 925 CG LEU A 55 0.087 -1.211 -2.579 1.00 0.00 C ATOM 926 CD1 LEU A 55 -0.513 -2.603 -2.476 1.00 0.00 C ATOM 927 CD2 LEU A 55 1.015 -0.939 -1.408 1.00 0.00 C ATOM 0 H LEU A 55 1.793 -0.788 -6.162 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.310 -2.305 -5.219 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.684 -1.722 -3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.249 -0.025 -3.936 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.731 -0.491 -2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.041 -2.702 -1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.211 -2.760 -3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.282 -3.347 -2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.469 -1.068 -0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.853 -1.636 -1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.390 0.082 -1.471 1.00 0.00 H new ATOM 939 N ILE A 56 -1.089 0.908 -5.233 1.00 0.00 N ATOM 940 CA ILE A 56 -2.207 1.832 -5.084 1.00 0.00 C ATOM 941 C ILE A 56 -3.316 1.583 -6.125 1.00 0.00 C ATOM 942 O ILE A 56 -4.460 1.327 -5.741 1.00 0.00 O ATOM 943 CB ILE A 56 -1.736 3.310 -5.106 1.00 0.00 C ATOM 944 CG1 ILE A 56 -0.796 3.574 -3.926 1.00 0.00 C ATOM 945 CG2 ILE A 56 -2.926 4.258 -5.060 1.00 0.00 C ATOM 946 CD1 ILE A 56 -0.215 4.971 -3.905 1.00 0.00 C ATOM 0 H ILE A 56 -0.193 1.356 -5.425 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.641 1.637 -4.104 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.197 3.490 -6.036 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.339 3.403 -2.996 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.020 2.852 -3.956 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.571 5.288 -5.076 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.566 4.081 -5.924 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.494 4.084 -4.146 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.440 5.080 -3.040 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.357 5.141 -4.817 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.023 5.700 -3.843 1.00 0.00 H new ATOM 958 N PRO A 57 -3.026 1.618 -7.448 1.00 0.00 N ATOM 959 CA PRO A 57 -4.052 1.382 -8.474 1.00 0.00 C ATOM 960 C PRO A 57 -4.579 -0.055 -8.460 1.00 0.00 C ATOM 961 O PRO A 57 -5.754 -0.294 -8.747 1.00 0.00 O ATOM 962 CB PRO A 57 -3.334 1.674 -9.799 1.00 0.00 C ATOM 963 CG PRO A 57 -2.106 2.422 -9.417 1.00 0.00 C ATOM 964 CD PRO A 57 -1.718 1.897 -8.067 1.00 0.00 C ATOM 0 HA PRO A 57 -4.928 2.009 -8.308 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.086 0.752 -10.325 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.963 2.263 -10.467 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.309 2.264 -10.143 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.296 3.495 -9.381 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.104 0.999 -8.141 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.146 2.628 -7.496 1.00 0.00 H new ATOM 972 N ARG A 58 -3.713 -1.007 -8.113 1.00 0.00 N ATOM 973 CA ARG A 58 -4.099 -2.414 -8.075 1.00 0.00 C ATOM 974 C ARG A 58 -5.163 -2.646 -7.009 1.00 0.00 C ATOM 975 O ARG A 58 -6.174 -3.305 -7.257 1.00 0.00 O ATOM 976 CB ARG A 58 -2.884 -3.307 -7.804 1.00 0.00 C ATOM 977 CG ARG A 58 -3.184 -4.795 -7.884 1.00 0.00 C ATOM 978 CD ARG A 58 -1.919 -5.626 -7.723 1.00 0.00 C ATOM 979 NE ARG A 58 -2.182 -7.057 -7.869 1.00 0.00 N ATOM 980 CZ ARG A 58 -1.378 -7.904 -8.517 1.00 0.00 C ATOM 981 NH1 ARG A 58 -0.244 -7.469 -9.058 1.00 0.00 N ATOM 982 NH2 ARG A 58 -1.712 -9.184 -8.626 1.00 0.00 N ATOM 0 H ARG A 58 -2.742 -0.828 -7.855 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.511 -2.676 -9.050 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.100 -3.065 -8.522 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.491 -3.078 -6.813 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.900 -5.066 -7.108 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.651 -5.023 -8.842 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.184 -5.315 -8.465 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.482 -5.436 -6.743 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.033 -7.432 -7.450 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.014 -6.485 -8.979 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.368 -8.119 -9.552 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.583 -9.521 -8.215 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.098 -9.831 -9.121 1.00 0.00 H new ATOM 996 N MET A 59 -4.937 -2.087 -5.827 1.00 0.00 N ATOM 997 CA MET A 59 -5.887 -2.229 -4.733 1.00 0.00 C ATOM 998 C MET A 59 -7.091 -1.322 -4.941 1.00 0.00 C ATOM 999 O MET A 59 -8.173 -1.599 -4.436 1.00 0.00 O ATOM 1000 CB MET A 59 -5.223 -1.942 -3.386 1.00 0.00 C ATOM 1001 CG MET A 59 -4.223 -3.007 -2.975 1.00 0.00 C ATOM 1002 SD MET A 59 -4.950 -4.658 -2.944 1.00 0.00 S ATOM 1003 CE MET A 59 -3.530 -5.648 -2.492 1.00 0.00 C ATOM 0 H MET A 59 -4.109 -1.535 -5.603 1.00 0.00 H new ATOM 0 HA MET A 59 -6.234 -3.262 -4.725 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.718 -0.978 -3.435 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.993 -1.860 -2.619 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.381 -2.997 -3.667 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.828 -2.769 -1.988 1.00 0.00 H new ATOM 0 HE1 MET A 59 -3.822 -6.697 -2.433 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.750 -5.530 -3.244 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.152 -5.321 -1.523 1.00 0.00 H new ATOM 1013 N HIS A 60 -6.906 -0.244 -5.693 1.00 0.00 N ATOM 1014 CA HIS A 60 -8.021 0.632 -6.039 1.00 0.00 C ATOM 1015 C HIS A 60 -9.034 -0.109 -6.892 1.00 0.00 C ATOM 1016 O HIS A 60 -10.231 -0.065 -6.628 1.00 0.00 O ATOM 1017 CB HIS A 60 -7.543 1.881 -6.775 1.00 0.00 C ATOM 1018 CG HIS A 60 -7.462 3.088 -5.900 1.00 0.00 C ATOM 1019 ND1 HIS A 60 -8.567 3.819 -5.533 1.00 0.00 N ATOM 1020 CD2 HIS A 60 -6.404 3.689 -5.314 1.00 0.00 C ATOM 1021 CE1 HIS A 60 -8.192 4.820 -4.761 1.00 0.00 C ATOM 1022 NE2 HIS A 60 -6.882 4.764 -4.610 1.00 0.00 N ATOM 0 H HIS A 60 -6.004 0.044 -6.072 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.494 0.944 -5.108 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -6.561 1.687 -7.206 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.220 2.087 -7.604 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -9.527 3.618 -5.814 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.372 3.380 -5.387 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -8.846 5.561 -4.326 1.00 0.00 H new ATOM 1031 N ASP A 61 -8.540 -0.821 -7.896 1.00 0.00 N ATOM 1032 CA ASP A 61 -9.401 -1.602 -8.782 1.00 0.00 C ATOM 1033 C ASP A 61 -10.149 -2.673 -7.987 1.00 0.00 C ATOM 1034 O ASP A 61 -11.215 -3.135 -8.388 1.00 0.00 O ATOM 1035 CB ASP A 61 -8.565 -2.247 -9.892 1.00 0.00 C ATOM 1036 CG ASP A 61 -9.410 -2.840 -11.003 1.00 0.00 C ATOM 1037 OD1 ASP A 61 -9.965 -2.067 -11.812 1.00 0.00 O ATOM 1038 OD2 ASP A 61 -9.503 -4.081 -11.093 1.00 0.00 O ATOM 0 H ASP A 61 -7.546 -0.876 -8.120 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.134 -0.936 -9.238 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.893 -1.500 -10.314 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.941 -3.030 -9.461 1.00 0.00 H new ATOM 1043 N LEU A 62 -9.581 -3.046 -6.846 1.00 0.00 N ATOM 1044 CA LEU A 62 -10.212 -3.993 -5.936 1.00 0.00 C ATOM 1045 C LEU A 62 -11.268 -3.283 -5.085 1.00 0.00 C ATOM 1046 O LEU A 62 -12.454 -3.595 -5.154 1.00 0.00 O ATOM 1047 CB LEU A 62 -9.146 -4.622 -5.025 1.00 0.00 C ATOM 1048 CG LEU A 62 -9.640 -5.718 -4.077 1.00 0.00 C ATOM 1049 CD1 LEU A 62 -9.796 -7.039 -4.815 1.00 0.00 C ATOM 1050 CD2 LEU A 62 -8.692 -5.875 -2.899 1.00 0.00 C ATOM 0 H LEU A 62 -8.675 -2.702 -6.527 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.698 -4.776 -6.519 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.359 -5.039 -5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.692 -3.830 -4.429 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.617 -5.422 -3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.148 -7.803 -4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.518 -6.921 -5.623 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.834 -7.340 -5.229 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.061 -6.659 -2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.701 -6.144 -3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.634 -4.935 -2.351 1.00 0.00 H new ATOM 1062 N LEU A 63 -10.818 -2.292 -4.319 1.00 0.00 N ATOM 1063 CA LEU A 63 -11.656 -1.598 -3.338 1.00 0.00 C ATOM 1064 C LEU A 63 -12.796 -0.821 -3.990 1.00 0.00 C ATOM 1065 O LEU A 63 -13.913 -0.789 -3.468 1.00 0.00 O ATOM 1066 CB LEU A 63 -10.793 -0.641 -2.520 1.00 0.00 C ATOM 1067 CG LEU A 63 -9.641 -1.301 -1.766 1.00 0.00 C ATOM 1068 CD1 LEU A 63 -8.671 -0.250 -1.262 1.00 0.00 C ATOM 1069 CD2 LEU A 63 -10.168 -2.138 -0.613 1.00 0.00 C ATOM 0 H LEU A 63 -9.860 -1.945 -4.359 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.103 -2.357 -2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.384 0.118 -3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.430 -0.124 -1.802 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.111 -1.961 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.855 -0.735 -0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.269 0.309 -2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.191 0.433 -0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.333 -2.600 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.722 -1.500 0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.828 -2.915 -0.999 1.00 0.00 H new ATOM 1081 N ASP A 64 -12.517 -0.203 -5.131 1.00 0.00 N ATOM 1082 CA ASP A 64 -13.520 0.599 -5.823 1.00 0.00 C ATOM 1083 C ASP A 64 -14.513 -0.294 -6.561 1.00 0.00 C ATOM 1084 O ASP A 64 -15.429 0.188 -7.225 1.00 0.00 O ATOM 1085 CB ASP A 64 -12.864 1.592 -6.791 1.00 0.00 C ATOM 1086 CG ASP A 64 -12.130 2.717 -6.072 1.00 0.00 C ATOM 1087 OD1 ASP A 64 -12.772 3.442 -5.285 1.00 0.00 O ATOM 1088 OD2 ASP A 64 -10.914 2.895 -6.306 1.00 0.00 O ATOM 0 H ASP A 64 -11.610 -0.241 -5.595 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.065 1.171 -5.072 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.163 1.058 -7.433 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.628 2.019 -7.440 1.00 0.00 H new ATOM 1093 N ASN A 65 -14.303 -1.602 -6.457 1.00 0.00 N ATOM 1094 CA ASN A 65 -15.259 -2.585 -6.954 1.00 0.00 C ATOM 1095 C ASN A 65 -15.691 -3.497 -5.814 1.00 0.00 C ATOM 1096 O ASN A 65 -16.229 -4.584 -6.037 1.00 0.00 O ATOM 1097 CB ASN A 65 -14.671 -3.412 -8.103 1.00 0.00 C ATOM 1098 CG ASN A 65 -14.609 -2.633 -9.402 1.00 0.00 C ATOM 1099 OD1 ASN A 65 -15.591 -2.565 -10.141 1.00 0.00 O ATOM 1100 ND2 ASN A 65 -13.454 -2.064 -9.707 1.00 0.00 N ATOM 0 H ASN A 65 -13.471 -2.009 -6.029 1.00 0.00 H new ATOM 0 HA ASN A 65 -16.126 -2.052 -7.344 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -13.668 -3.743 -7.833 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.274 -4.308 -8.248 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -13.355 -1.547 -10.581 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.662 -2.142 -9.068 1.00 0.00 H new ATOM 1107 N LYS A 66 -15.463 -3.015 -4.589 1.00 0.00 N ATOM 1108 CA LYS A 66 -15.783 -3.740 -3.360 1.00 0.00 C ATOM 1109 C LYS A 66 -14.887 -4.967 -3.205 1.00 0.00 C ATOM 1110 O LYS A 66 -13.800 -4.863 -2.630 1.00 0.00 O ATOM 1111 CB LYS A 66 -17.271 -4.116 -3.310 1.00 0.00 C ATOM 1112 CG LYS A 66 -18.188 -2.919 -3.503 1.00 0.00 C ATOM 1113 CD LYS A 66 -19.652 -3.312 -3.470 1.00 0.00 C ATOM 1114 CE LYS A 66 -20.545 -2.152 -3.883 1.00 0.00 C ATOM 1115 NZ LYS A 66 -20.304 -0.937 -3.060 1.00 0.00 N ATOM 0 H LYS A 66 -15.046 -2.099 -4.423 1.00 0.00 H new ATOM 0 HA LYS A 66 -15.588 -3.079 -2.515 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.480 -4.856 -4.082 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.490 -4.585 -2.351 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.993 -2.184 -2.723 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -17.963 -2.440 -4.456 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.819 -4.158 -4.137 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -19.920 -3.641 -2.466 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.371 -1.918 -4.933 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -21.590 -2.449 -3.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.061 -0.245 -3.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.295 -1.196 -2.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -19.387 -0.519 -3.318 1.00 0.00 H new ATOM 1129 N GLN A 67 -15.340 -6.115 -3.722 1.00 0.00 N ATOM 1130 CA GLN A 67 -14.549 -7.353 -3.732 1.00 0.00 C ATOM 1131 C GLN A 67 -14.208 -7.848 -2.317 1.00 0.00 C ATOM 1132 O GLN A 67 -14.394 -7.137 -1.328 1.00 0.00 O ATOM 1133 CB GLN A 67 -13.256 -7.142 -4.530 1.00 0.00 C ATOM 1134 CG GLN A 67 -13.474 -6.744 -5.983 1.00 0.00 C ATOM 1135 CD GLN A 67 -14.040 -7.865 -6.837 1.00 0.00 C ATOM 1136 OE1 GLN A 67 -14.787 -8.719 -6.361 1.00 0.00 O ATOM 1137 NE2 GLN A 67 -13.680 -7.869 -8.110 1.00 0.00 N ATOM 0 H GLN A 67 -16.263 -6.213 -4.145 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.162 -8.120 -4.206 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.662 -6.371 -4.040 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -12.671 -8.061 -4.501 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -14.152 -5.891 -6.021 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.525 -6.417 -6.409 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.059 -7.143 -8.467 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -14.024 -8.598 -8.735 1.00 0.00 H new ATOM 1146 N PRO A 68 -13.742 -9.101 -2.195 1.00 0.00 N ATOM 1147 CA PRO A 68 -13.188 -9.611 -0.943 1.00 0.00 C ATOM 1148 C PRO A 68 -11.803 -9.024 -0.679 1.00 0.00 C ATOM 1149 O PRO A 68 -11.139 -8.542 -1.598 1.00 0.00 O ATOM 1150 CB PRO A 68 -13.094 -11.129 -1.165 1.00 0.00 C ATOM 1151 CG PRO A 68 -13.821 -11.399 -2.443 1.00 0.00 C ATOM 1152 CD PRO A 68 -13.749 -10.130 -3.240 1.00 0.00 C ATOM 0 HA PRO A 68 -13.801 -9.347 -0.081 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.055 -11.451 -1.231 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -13.545 -11.674 -0.336 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.362 -12.226 -2.985 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.856 -11.680 -2.250 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.851 -10.088 -3.857 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.602 -10.022 -3.910 1.00 0.00 H new ATOM 1160 N LEU A 69 -11.367 -9.062 0.569 1.00 0.00 N ATOM 1161 CA LEU A 69 -10.070 -8.514 0.930 1.00 0.00 C ATOM 1162 C LEU A 69 -9.083 -9.624 1.247 1.00 0.00 C ATOM 1163 O LEU A 69 -9.345 -10.474 2.099 1.00 0.00 O ATOM 1164 CB LEU A 69 -10.193 -7.567 2.125 1.00 0.00 C ATOM 1165 CG LEU A 69 -10.896 -6.242 1.832 1.00 0.00 C ATOM 1166 CD1 LEU A 69 -10.996 -5.401 3.094 1.00 0.00 C ATOM 1167 CD2 LEU A 69 -10.154 -5.484 0.742 1.00 0.00 C ATOM 0 H LEU A 69 -11.890 -9.465 1.347 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.698 -7.950 0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.734 -8.079 2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.194 -7.354 2.505 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.906 -6.454 1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.499 -4.461 2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.565 -5.944 3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.995 -5.194 3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.664 -4.542 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.134 -5.282 1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.131 -6.084 -0.168 1.00 0.00 H new ATOM 1179 N PRO A 70 -7.942 -9.640 0.543 1.00 0.00 N ATOM 1180 CA PRO A 70 -6.861 -10.584 0.819 1.00 0.00 C ATOM 1181 C PRO A 70 -6.184 -10.271 2.154 1.00 0.00 C ATOM 1182 O PRO A 70 -5.242 -9.481 2.219 1.00 0.00 O ATOM 1183 CB PRO A 70 -5.900 -10.380 -0.358 1.00 0.00 C ATOM 1184 CG PRO A 70 -6.164 -8.994 -0.833 1.00 0.00 C ATOM 1185 CD PRO A 70 -7.626 -8.745 -0.586 1.00 0.00 C ATOM 0 HA PRO A 70 -7.206 -11.614 0.907 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.862 -10.500 -0.046 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.082 -11.109 -1.147 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.549 -8.273 -0.295 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.924 -8.891 -1.891 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.819 -7.701 -0.337 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.227 -8.980 -1.465 1.00 0.00 H new ATOM 1193 N GLY A 71 -6.682 -10.894 3.214 1.00 0.00 N ATOM 1194 CA GLY A 71 -6.255 -10.561 4.560 1.00 0.00 C ATOM 1195 C GLY A 71 -4.880 -11.084 4.905 1.00 0.00 C ATOM 1196 O GLY A 71 -4.311 -10.709 5.931 1.00 0.00 O ATOM 0 H GLY A 71 -7.383 -11.633 3.164 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.262 -9.477 4.677 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.977 -10.963 5.271 1.00 0.00 H new ATOM 1200 N ALA A 72 -4.336 -11.945 4.057 1.00 0.00 N ATOM 1201 CA ALA A 72 -3.005 -12.488 4.282 1.00 0.00 C ATOM 1202 C ALA A 72 -1.951 -11.594 3.642 1.00 0.00 C ATOM 1203 O ALA A 72 -0.809 -12.007 3.415 1.00 0.00 O ATOM 1204 CB ALA A 72 -2.912 -13.909 3.749 1.00 0.00 C ATOM 0 H ALA A 72 -4.794 -12.281 3.210 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.818 -12.518 5.355 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.910 -14.299 3.926 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.641 -14.538 4.260 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.118 -13.910 2.679 1.00 0.00 H new ATOM 1210 N PHE A 73 -2.350 -10.363 3.370 1.00 0.00 N ATOM 1211 CA PHE A 73 -1.472 -9.365 2.786 1.00 0.00 C ATOM 1212 C PHE A 73 -0.476 -8.874 3.833 1.00 0.00 C ATOM 1213 O PHE A 73 -0.868 -8.433 4.915 1.00 0.00 O ATOM 1214 CB PHE A 73 -2.315 -8.203 2.255 1.00 0.00 C ATOM 1215 CG PHE A 73 -1.586 -7.268 1.337 1.00 0.00 C ATOM 1216 CD1 PHE A 73 -1.229 -7.672 0.061 1.00 0.00 C ATOM 1217 CD2 PHE A 73 -1.284 -5.976 1.735 1.00 0.00 C ATOM 1218 CE1 PHE A 73 -0.584 -6.806 -0.799 1.00 0.00 C ATOM 1219 CE2 PHE A 73 -0.636 -5.107 0.881 1.00 0.00 C ATOM 1220 CZ PHE A 73 -0.287 -5.523 -0.388 1.00 0.00 C ATOM 0 H PHE A 73 -3.296 -10.027 3.549 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.912 -9.803 1.960 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.178 -8.609 1.727 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -2.698 -7.634 3.102 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.458 -8.676 -0.265 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -1.559 -5.645 2.726 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.312 -7.132 -1.792 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.402 -4.104 1.205 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.218 -4.844 -1.059 1.00 0.00 H new ATOM 1230 N ALA A 74 0.807 -8.996 3.524 1.00 0.00 N ATOM 1231 CA ALA A 74 1.855 -8.545 4.425 1.00 0.00 C ATOM 1232 C ALA A 74 3.075 -8.095 3.638 1.00 0.00 C ATOM 1233 O ALA A 74 3.879 -8.917 3.195 1.00 0.00 O ATOM 1234 CB ALA A 74 2.233 -9.647 5.403 1.00 0.00 C ATOM 0 H ALA A 74 1.147 -9.405 2.653 1.00 0.00 H new ATOM 0 HA ALA A 74 1.475 -7.696 4.993 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.019 -9.289 6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.359 -9.927 5.991 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.592 -10.516 4.851 1.00 0.00 H new ATOM 1240 N VAL A 75 3.205 -6.792 3.448 1.00 0.00 N ATOM 1241 CA VAL A 75 4.307 -6.256 2.666 1.00 0.00 C ATOM 1242 C VAL A 75 5.378 -5.638 3.553 1.00 0.00 C ATOM 1243 O VAL A 75 6.506 -5.414 3.106 1.00 0.00 O ATOM 1244 CB VAL A 75 3.828 -5.217 1.635 1.00 0.00 C ATOM 1245 CG1 VAL A 75 2.904 -5.872 0.627 1.00 0.00 C ATOM 1246 CG2 VAL A 75 3.137 -4.046 2.316 1.00 0.00 C ATOM 0 H VAL A 75 2.566 -6.090 3.822 1.00 0.00 H new ATOM 0 HA VAL A 75 4.740 -7.101 2.130 1.00 0.00 H new ATOM 0 HB VAL A 75 4.700 -4.827 1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.571 -5.129 -0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.437 -6.670 0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.039 -6.289 1.143 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.810 -3.329 1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.273 -4.407 2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.833 -3.561 3.001 1.00 0.00 H new ATOM 1256 N ALA A 76 5.035 -5.377 4.809 1.00 0.00 N ATOM 1257 CA ALA A 76 5.995 -4.822 5.755 1.00 0.00 C ATOM 1258 C ALA A 76 7.234 -5.721 5.899 1.00 0.00 C ATOM 1259 O ALA A 76 8.360 -5.243 5.744 1.00 0.00 O ATOM 1260 CB ALA A 76 5.342 -4.567 7.106 1.00 0.00 C ATOM 0 H ALA A 76 4.105 -5.540 5.194 1.00 0.00 H new ATOM 0 HA ALA A 76 6.333 -3.865 5.357 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.079 -4.153 7.794 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.521 -3.860 6.986 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.958 -5.505 7.507 1.00 0.00 H new ATOM 1266 N PRO A 77 7.063 -7.039 6.174 1.00 0.00 N ATOM 1267 CA PRO A 77 8.200 -7.965 6.278 1.00 0.00 C ATOM 1268 C PRO A 77 8.944 -8.126 4.952 1.00 0.00 C ATOM 1269 O PRO A 77 10.115 -8.501 4.926 1.00 0.00 O ATOM 1270 CB PRO A 77 7.558 -9.294 6.695 1.00 0.00 C ATOM 1271 CG PRO A 77 6.134 -9.181 6.277 1.00 0.00 C ATOM 1272 CD PRO A 77 5.780 -7.730 6.424 1.00 0.00 C ATOM 0 HA PRO A 77 8.947 -7.603 6.984 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.046 -10.138 6.208 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.642 -9.453 7.770 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.001 -9.514 5.248 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.493 -9.805 6.899 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.015 -7.428 5.709 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.392 -7.510 7.418 1.00 0.00 H new ATOM 1280 N TYR A 78 8.261 -7.831 3.852 1.00 0.00 N ATOM 1281 CA TYR A 78 8.863 -7.936 2.529 1.00 0.00 C ATOM 1282 C TYR A 78 9.849 -6.798 2.302 1.00 0.00 C ATOM 1283 O TYR A 78 10.968 -7.022 1.848 1.00 0.00 O ATOM 1284 CB TYR A 78 7.780 -7.932 1.444 1.00 0.00 C ATOM 1285 CG TYR A 78 8.324 -7.981 0.032 1.00 0.00 C ATOM 1286 CD1 TYR A 78 8.830 -9.161 -0.502 1.00 0.00 C ATOM 1287 CD2 TYR A 78 8.331 -6.844 -0.768 1.00 0.00 C ATOM 1288 CE1 TYR A 78 9.327 -9.204 -1.790 1.00 0.00 C ATOM 1289 CE2 TYR A 78 8.825 -6.881 -2.055 1.00 0.00 C ATOM 1290 CZ TYR A 78 9.322 -8.061 -2.561 1.00 0.00 C ATOM 1291 OH TYR A 78 9.816 -8.100 -3.844 1.00 0.00 O ATOM 0 H TYR A 78 7.290 -7.517 3.850 1.00 0.00 H new ATOM 0 HA TYR A 78 9.405 -8.880 2.470 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.122 -8.787 1.599 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.170 -7.036 1.557 1.00 0.00 H new ATOM 0 HD1 TYR A 78 8.834 -10.058 0.100 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.943 -5.916 -0.375 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.717 -10.128 -2.191 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.822 -5.988 -2.663 1.00 0.00 H new ATOM 0 HH TYR A 78 10.429 -8.859 -3.936 1.00 0.00 H new ATOM 1301 N TYR A 79 9.444 -5.578 2.635 1.00 0.00 N ATOM 1302 CA TYR A 79 10.310 -4.421 2.450 1.00 0.00 C ATOM 1303 C TYR A 79 11.363 -4.339 3.545 1.00 0.00 C ATOM 1304 O TYR A 79 12.330 -3.583 3.435 1.00 0.00 O ATOM 1305 CB TYR A 79 9.491 -3.138 2.362 1.00 0.00 C ATOM 1306 CG TYR A 79 8.815 -2.983 1.019 1.00 0.00 C ATOM 1307 CD1 TYR A 79 9.525 -2.510 -0.077 1.00 0.00 C ATOM 1308 CD2 TYR A 79 7.483 -3.331 0.836 1.00 0.00 C ATOM 1309 CE1 TYR A 79 8.928 -2.381 -1.313 1.00 0.00 C ATOM 1310 CE2 TYR A 79 6.879 -3.208 -0.401 1.00 0.00 C ATOM 1311 CZ TYR A 79 7.608 -2.733 -1.472 1.00 0.00 C ATOM 1312 OH TYR A 79 7.018 -2.610 -2.705 1.00 0.00 O ATOM 0 H TYR A 79 8.529 -5.366 3.031 1.00 0.00 H new ATOM 0 HA TYR A 79 10.837 -4.542 1.504 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.737 -3.136 3.149 1.00 0.00 H new ATOM 0 HB3 TYR A 79 10.141 -2.281 2.541 1.00 0.00 H new ATOM 0 HD1 TYR A 79 10.564 -2.238 0.041 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.911 -3.703 1.673 1.00 0.00 H new ATOM 0 HE1 TYR A 79 9.494 -2.005 -2.152 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.842 -3.482 -0.529 1.00 0.00 H new ATOM 0 HH TYR A 79 7.705 -2.655 -3.402 1.00 0.00 H new ATOM 1322 N GLU A 80 11.178 -5.128 4.593 1.00 0.00 N ATOM 1323 CA GLU A 80 12.227 -5.352 5.577 1.00 0.00 C ATOM 1324 C GLU A 80 13.433 -5.990 4.887 1.00 0.00 C ATOM 1325 O GLU A 80 14.586 -5.718 5.219 1.00 0.00 O ATOM 1326 CB GLU A 80 11.705 -6.271 6.686 1.00 0.00 C ATOM 1327 CG GLU A 80 12.748 -6.673 7.715 1.00 0.00 C ATOM 1328 CD GLU A 80 13.146 -5.539 8.637 1.00 0.00 C ATOM 1329 OE1 GLU A 80 14.093 -4.801 8.306 1.00 0.00 O ATOM 1330 OE2 GLU A 80 12.517 -5.390 9.706 1.00 0.00 O ATOM 0 H GLU A 80 10.308 -5.625 4.784 1.00 0.00 H new ATOM 0 HA GLU A 80 12.527 -4.403 6.021 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.882 -5.771 7.197 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.296 -7.173 6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 80 12.361 -7.499 8.312 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.635 -7.041 7.199 1.00 0.00 H new ATOM 1337 N MET A 81 13.139 -6.820 3.897 1.00 0.00 N ATOM 1338 CA MET A 81 14.157 -7.559 3.164 1.00 0.00 C ATOM 1339 C MET A 81 14.526 -6.858 1.854 1.00 0.00 C ATOM 1340 O MET A 81 15.703 -6.713 1.526 1.00 0.00 O ATOM 1341 CB MET A 81 13.637 -8.974 2.883 1.00 0.00 C ATOM 1342 CG MET A 81 14.492 -9.774 1.916 1.00 0.00 C ATOM 1343 SD MET A 81 13.842 -11.434 1.626 1.00 0.00 S ATOM 1344 CE MET A 81 12.232 -11.049 0.941 1.00 0.00 C ATOM 0 H MET A 81 12.187 -7.000 3.579 1.00 0.00 H new ATOM 0 HA MET A 81 15.061 -7.607 3.771 1.00 0.00 H new ATOM 0 HB2 MET A 81 13.570 -9.518 3.825 1.00 0.00 H new ATOM 0 HB3 MET A 81 12.626 -8.904 2.483 1.00 0.00 H new ATOM 0 HG2 MET A 81 14.556 -9.242 0.967 1.00 0.00 H new ATOM 0 HG3 MET A 81 15.506 -9.848 2.309 1.00 0.00 H new ATOM 0 HE1 MET A 81 11.855 -11.911 0.391 1.00 0.00 H new ATOM 0 HE2 MET A 81 11.542 -10.803 1.749 1.00 0.00 H new ATOM 0 HE3 MET A 81 12.318 -10.198 0.266 1.00 0.00 H new ATOM 1354 N ALA A 82 13.511 -6.418 1.117 1.00 0.00 N ATOM 1355 CA ALA A 82 13.704 -5.870 -0.225 1.00 0.00 C ATOM 1356 C ALA A 82 14.372 -4.496 -0.214 1.00 0.00 C ATOM 1357 O ALA A 82 15.069 -4.138 -1.164 1.00 0.00 O ATOM 1358 CB ALA A 82 12.372 -5.795 -0.952 1.00 0.00 C ATOM 0 H ALA A 82 12.539 -6.430 1.428 1.00 0.00 H new ATOM 0 HA ALA A 82 14.378 -6.546 -0.751 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.525 -5.386 -1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.944 -6.794 -1.031 1.00 0.00 H new ATOM 0 HB3 ALA A 82 11.690 -5.151 -0.397 1.00 0.00 H new ATOM 1364 N LEU A 83 14.157 -3.723 0.844 1.00 0.00 N ATOM 1365 CA LEU A 83 14.716 -2.377 0.906 1.00 0.00 C ATOM 1366 C LEU A 83 16.120 -2.403 1.505 1.00 0.00 C ATOM 1367 O LEU A 83 17.103 -2.575 0.784 1.00 0.00 O ATOM 1368 CB LEU A 83 13.806 -1.442 1.712 1.00 0.00 C ATOM 1369 CG LEU A 83 14.218 0.033 1.715 1.00 0.00 C ATOM 1370 CD1 LEU A 83 14.163 0.607 0.307 1.00 0.00 C ATOM 1371 CD2 LEU A 83 13.323 0.828 2.654 1.00 0.00 C ATOM 0 H LEU A 83 13.609 -3.998 1.659 1.00 0.00 H new ATOM 0 HA LEU A 83 14.782 -1.993 -0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 83 12.793 -1.518 1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.773 -1.795 2.743 1.00 0.00 H new ATOM 0 HG LEU A 83 15.245 0.106 2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 83 14.459 1.656 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 83 14.843 0.052 -0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.147 0.525 -0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 83 13.627 1.875 2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.287 0.748 2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 83 13.413 0.431 3.665 1.00 0.00 H new ATOM 1383 N ALA A 84 16.200 -2.267 2.824 1.00 0.00 N ATOM 1384 CA ALA A 84 17.475 -2.233 3.532 1.00 0.00 C ATOM 1385 C ALA A 84 17.224 -2.130 5.024 1.00 0.00 C ATOM 1386 O ALA A 84 16.084 -1.957 5.448 1.00 0.00 O ATOM 1387 CB ALA A 84 18.330 -1.059 3.066 1.00 0.00 C ATOM 0 H ALA A 84 15.385 -2.177 3.431 1.00 0.00 H new ATOM 0 HA ALA A 84 18.016 -3.154 3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 84 19.274 -1.058 3.610 1.00 0.00 H new ATOM 0 HB2 ALA A 84 18.527 -1.153 1.998 1.00 0.00 H new ATOM 0 HB3 ALA A 84 17.801 -0.125 3.256 1.00 0.00 H new ATOM 1393 N THR A 85 18.281 -2.236 5.812 1.00 0.00 N ATOM 1394 CA THR A 85 18.182 -2.101 7.255 1.00 0.00 C ATOM 1395 C THR A 85 18.434 -0.661 7.687 1.00 0.00 C ATOM 1396 O THR A 85 18.157 -0.277 8.825 1.00 0.00 O ATOM 1397 CB THR A 85 19.209 -3.014 7.940 1.00 0.00 C ATOM 1398 OG1 THR A 85 20.461 -2.947 7.236 1.00 0.00 O ATOM 1399 CG2 THR A 85 18.717 -4.454 7.986 1.00 0.00 C ATOM 0 H THR A 85 19.226 -2.417 5.472 1.00 0.00 H new ATOM 0 HA THR A 85 17.173 -2.389 7.550 1.00 0.00 H new ATOM 0 HB THR A 85 19.346 -2.669 8.965 1.00 0.00 H new ATOM 0 HG1 THR A 85 20.737 -2.011 7.147 1.00 0.00 H new ATOM 0 HG21 THR A 85 19.464 -5.078 8.476 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.782 -4.501 8.544 1.00 0.00 H new ATOM 0 HG23 THR A 85 18.552 -4.815 6.971 1.00 0.00 H new ATOM 1407 N ASP A 86 18.952 0.128 6.761 1.00 0.00 N ATOM 1408 CA ASP A 86 19.407 1.468 7.054 1.00 0.00 C ATOM 1409 C ASP A 86 18.394 2.509 6.601 1.00 0.00 C ATOM 1410 O ASP A 86 17.303 2.162 6.143 1.00 0.00 O ATOM 1411 CB ASP A 86 20.743 1.696 6.357 1.00 0.00 C ATOM 1412 CG ASP A 86 21.846 0.808 6.902 1.00 0.00 C ATOM 1413 OD1 ASP A 86 21.758 -0.432 6.737 1.00 0.00 O ATOM 1414 OD2 ASP A 86 22.810 1.346 7.483 1.00 0.00 O ATOM 0 H ASP A 86 19.067 -0.147 5.785 1.00 0.00 H new ATOM 0 HA ASP A 86 19.524 1.573 8.133 1.00 0.00 H new ATOM 0 HB2 ASP A 86 20.627 1.511 5.289 1.00 0.00 H new ATOM 0 HB3 ASP A 86 21.034 2.740 6.470 1.00 0.00 H new ATOM 1419 N HIS A 87 18.777 3.782 6.724 1.00 0.00 N ATOM 1420 CA HIS A 87 17.922 4.916 6.365 1.00 0.00 C ATOM 1421 C HIS A 87 16.698 4.975 7.280 1.00 0.00 C ATOM 1422 O HIS A 87 15.648 4.416 6.966 1.00 0.00 O ATOM 1423 CB HIS A 87 17.501 4.843 4.890 1.00 0.00 C ATOM 1424 CG HIS A 87 17.036 6.151 4.326 1.00 0.00 C ATOM 1425 ND1 HIS A 87 17.902 7.095 3.826 1.00 0.00 N ATOM 1426 CD2 HIS A 87 15.794 6.670 4.183 1.00 0.00 C ATOM 1427 CE1 HIS A 87 17.216 8.139 3.401 1.00 0.00 C ATOM 1428 NE2 HIS A 87 15.934 7.908 3.604 1.00 0.00 N ATOM 0 H HIS A 87 19.694 4.057 7.077 1.00 0.00 H new ATOM 0 HA HIS A 87 18.496 5.832 6.502 1.00 0.00 H new ATOM 0 HB2 HIS A 87 18.343 4.483 4.299 1.00 0.00 H new ATOM 0 HB3 HIS A 87 16.702 4.109 4.786 1.00 0.00 H new ATOM 0 HD2 HIS A 87 14.866 6.199 4.471 1.00 0.00 H new ATOM 0 HE1 HIS A 87 17.634 9.032 2.961 1.00 0.00 H new ATOM 0 HE2 HIS A 87 15.172 8.544 3.370 1.00 0.00 H new ATOM 1437 N PRO A 88 16.837 5.657 8.434 1.00 0.00 N ATOM 1438 CA PRO A 88 15.801 5.723 9.483 1.00 0.00 C ATOM 1439 C PRO A 88 14.406 6.116 8.982 1.00 0.00 C ATOM 1440 O PRO A 88 13.404 5.756 9.603 1.00 0.00 O ATOM 1441 CB PRO A 88 16.339 6.785 10.441 1.00 0.00 C ATOM 1442 CG PRO A 88 17.814 6.732 10.271 1.00 0.00 C ATOM 1443 CD PRO A 88 18.046 6.416 8.821 1.00 0.00 C ATOM 0 HA PRO A 88 15.645 4.740 9.928 1.00 0.00 H new ATOM 0 HB2 PRO A 88 15.947 7.773 10.198 1.00 0.00 H new ATOM 0 HB3 PRO A 88 16.051 6.572 11.471 1.00 0.00 H new ATOM 0 HG2 PRO A 88 18.274 7.682 10.543 1.00 0.00 H new ATOM 0 HG3 PRO A 88 18.255 5.969 10.913 1.00 0.00 H new ATOM 0 HD2 PRO A 88 18.158 7.322 8.226 1.00 0.00 H new ATOM 0 HD3 PRO A 88 18.952 5.827 8.679 1.00 0.00 H new ATOM 1451 N GLN A 89 14.331 6.838 7.862 1.00 0.00 N ATOM 1452 CA GLN A 89 13.038 7.226 7.288 1.00 0.00 C ATOM 1453 C GLN A 89 12.205 6.003 6.907 1.00 0.00 C ATOM 1454 O GLN A 89 11.002 6.117 6.666 1.00 0.00 O ATOM 1455 CB GLN A 89 13.210 8.110 6.051 1.00 0.00 C ATOM 1456 CG GLN A 89 13.781 9.488 6.334 1.00 0.00 C ATOM 1457 CD GLN A 89 13.853 10.340 5.083 1.00 0.00 C ATOM 1458 OE1 GLN A 89 13.980 9.822 3.975 1.00 0.00 O ATOM 1459 NE2 GLN A 89 13.793 11.650 5.250 1.00 0.00 N ATOM 0 H GLN A 89 15.142 7.164 7.337 1.00 0.00 H new ATOM 0 HA GLN A 89 12.517 7.791 8.061 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.863 7.599 5.343 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.241 8.225 5.565 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.164 9.990 7.080 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.779 9.386 6.761 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.687 12.040 6.186 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.852 12.270 4.442 1.00 0.00 H new ATOM 1468 N ARG A 90 12.846 4.839 6.854 1.00 0.00 N ATOM 1469 CA ARG A 90 12.155 3.594 6.540 1.00 0.00 C ATOM 1470 C ARG A 90 11.080 3.300 7.581 1.00 0.00 C ATOM 1471 O ARG A 90 10.126 2.581 7.304 1.00 0.00 O ATOM 1472 CB ARG A 90 13.141 2.423 6.470 1.00 0.00 C ATOM 1473 CG ARG A 90 13.765 2.062 7.810 1.00 0.00 C ATOM 1474 CD ARG A 90 14.695 0.865 7.694 1.00 0.00 C ATOM 1475 NE ARG A 90 14.014 -0.312 7.160 1.00 0.00 N ATOM 1476 CZ ARG A 90 14.140 -1.540 7.665 1.00 0.00 C ATOM 1477 NH1 ARG A 90 14.833 -1.742 8.779 1.00 0.00 N ATOM 1478 NH2 ARG A 90 13.551 -2.567 7.069 1.00 0.00 N ATOM 0 H ARG A 90 13.846 4.733 7.025 1.00 0.00 H new ATOM 0 HA ARG A 90 11.683 3.712 5.565 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.624 1.549 6.074 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.935 2.671 5.765 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.320 2.918 8.195 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.977 1.842 8.531 1.00 0.00 H new ATOM 0 HD2 ARG A 90 15.535 1.121 7.048 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.107 0.630 8.675 1.00 0.00 H new ATOM 0 HE ARG A 90 13.405 -0.187 6.351 1.00 0.00 H new ATOM 0 HH11 ARG A 90 15.274 -0.955 9.255 1.00 0.00 H new ATOM 0 HH12 ARG A 90 14.925 -2.684 9.159 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.001 -2.419 6.223 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.648 -3.506 7.456 1.00 0.00 H new ATOM 1492 N ALA A 91 11.240 3.869 8.774 1.00 0.00 N ATOM 1493 CA ALA A 91 10.278 3.678 9.852 1.00 0.00 C ATOM 1494 C ALA A 91 8.903 4.189 9.446 1.00 0.00 C ATOM 1495 O ALA A 91 7.888 3.553 9.726 1.00 0.00 O ATOM 1496 CB ALA A 91 10.750 4.380 11.114 1.00 0.00 C ATOM 0 H ALA A 91 12.030 4.467 9.017 1.00 0.00 H new ATOM 0 HA ALA A 91 10.201 2.610 10.054 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.021 4.228 11.910 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.712 3.970 11.420 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.856 5.447 10.919 1.00 0.00 H new ATOM 1502 N LEU A 92 8.881 5.330 8.763 1.00 0.00 N ATOM 1503 CA LEU A 92 7.632 5.919 8.294 1.00 0.00 C ATOM 1504 C LEU A 92 6.999 5.027 7.234 1.00 0.00 C ATOM 1505 O LEU A 92 5.794 4.781 7.246 1.00 0.00 O ATOM 1506 CB LEU A 92 7.884 7.314 7.717 1.00 0.00 C ATOM 1507 CG LEU A 92 8.525 8.316 8.679 1.00 0.00 C ATOM 1508 CD1 LEU A 92 8.778 9.639 7.973 1.00 0.00 C ATOM 1509 CD2 LEU A 92 7.645 8.525 9.903 1.00 0.00 C ATOM 0 H LEU A 92 9.715 5.865 8.522 1.00 0.00 H new ATOM 0 HA LEU A 92 6.950 6.007 9.140 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.525 7.216 6.841 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.934 7.723 7.373 1.00 0.00 H new ATOM 0 HG LEU A 92 9.481 7.911 9.011 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.234 10.342 8.670 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.448 9.478 7.129 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.833 10.046 7.614 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.119 9.241 10.574 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.673 8.908 9.591 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.511 7.576 10.421 1.00 0.00 H new ATOM 1521 N ILE A 93 7.835 4.532 6.329 1.00 0.00 N ATOM 1522 CA ILE A 93 7.387 3.640 5.271 1.00 0.00 C ATOM 1523 C ILE A 93 6.837 2.346 5.867 1.00 0.00 C ATOM 1524 O ILE A 93 5.741 1.910 5.518 1.00 0.00 O ATOM 1525 CB ILE A 93 8.536 3.314 4.292 1.00 0.00 C ATOM 1526 CG1 ILE A 93 9.133 4.610 3.729 1.00 0.00 C ATOM 1527 CG2 ILE A 93 8.037 2.418 3.163 1.00 0.00 C ATOM 1528 CD1 ILE A 93 10.331 4.389 2.830 1.00 0.00 C ATOM 0 H ILE A 93 8.834 4.736 6.309 1.00 0.00 H new ATOM 0 HA ILE A 93 6.597 4.148 4.719 1.00 0.00 H new ATOM 0 HB ILE A 93 9.316 2.778 4.833 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.363 5.141 3.169 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.426 5.254 4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.860 2.198 2.482 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.652 1.487 3.580 1.00 0.00 H new ATOM 0 HG23 ILE A 93 7.242 2.927 2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.698 5.350 2.470 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.119 3.886 3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.040 3.771 1.981 1.00 0.00 H new ATOM 1540 N LEU A 94 7.596 1.752 6.782 1.00 0.00 N ATOM 1541 CA LEU A 94 7.181 0.519 7.446 1.00 0.00 C ATOM 1542 C LEU A 94 5.890 0.732 8.226 1.00 0.00 C ATOM 1543 O LEU A 94 5.011 -0.123 8.217 1.00 0.00 O ATOM 1544 CB LEU A 94 8.276 0.010 8.385 1.00 0.00 C ATOM 1545 CG LEU A 94 9.572 -0.435 7.702 1.00 0.00 C ATOM 1546 CD1 LEU A 94 10.598 -0.866 8.738 1.00 0.00 C ATOM 1547 CD2 LEU A 94 9.298 -1.564 6.720 1.00 0.00 C ATOM 0 H LEU A 94 8.505 2.105 7.082 1.00 0.00 H new ATOM 0 HA LEU A 94 7.006 -0.230 6.674 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.514 0.798 9.099 1.00 0.00 H new ATOM 0 HB3 LEU A 94 7.880 -0.829 8.957 1.00 0.00 H new ATOM 0 HG LEU A 94 9.977 0.411 7.147 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.513 -1.179 8.235 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.817 -0.030 9.403 1.00 0.00 H new ATOM 0 HD13 LEU A 94 10.201 -1.698 9.320 1.00 0.00 H new ATOM 0 HD21 LEU A 94 10.231 -1.867 6.244 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.870 -2.413 7.252 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.597 -1.222 5.959 1.00 0.00 H new ATOM 1559 N ALA A 95 5.778 1.878 8.889 1.00 0.00 N ATOM 1560 CA ALA A 95 4.573 2.216 9.635 1.00 0.00 C ATOM 1561 C ALA A 95 3.362 2.239 8.715 1.00 0.00 C ATOM 1562 O ALA A 95 2.301 1.706 9.050 1.00 0.00 O ATOM 1563 CB ALA A 95 4.733 3.563 10.323 1.00 0.00 C ATOM 0 H ALA A 95 6.509 2.589 8.924 1.00 0.00 H new ATOM 0 HA ALA A 95 4.417 1.451 10.395 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.824 3.800 10.875 1.00 0.00 H new ATOM 0 HB2 ALA A 95 5.576 3.521 11.013 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.914 4.335 9.575 1.00 0.00 H new ATOM 1569 N GLU A 96 3.535 2.845 7.548 1.00 0.00 N ATOM 1570 CA GLU A 96 2.470 2.926 6.561 1.00 0.00 C ATOM 1571 C GLU A 96 2.119 1.531 6.050 1.00 0.00 C ATOM 1572 O GLU A 96 0.945 1.197 5.878 1.00 0.00 O ATOM 1573 CB GLU A 96 2.898 3.822 5.397 1.00 0.00 C ATOM 1574 CG GLU A 96 1.730 4.411 4.622 1.00 0.00 C ATOM 1575 CD GLU A 96 0.938 5.411 5.437 1.00 0.00 C ATOM 1576 OE1 GLU A 96 1.368 5.752 6.555 1.00 0.00 O ATOM 1577 OE2 GLU A 96 -0.133 5.851 4.975 1.00 0.00 O ATOM 0 H GLU A 96 4.408 3.289 7.262 1.00 0.00 H new ATOM 0 HA GLU A 96 1.587 3.359 7.031 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.514 4.634 5.782 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.522 3.244 4.715 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.104 4.897 3.721 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.070 3.606 4.299 1.00 0.00 H new ATOM 1584 N LEU A 97 3.148 0.719 5.828 1.00 0.00 N ATOM 1585 CA LEU A 97 2.966 -0.655 5.368 1.00 0.00 C ATOM 1586 C LEU A 97 2.209 -1.476 6.409 1.00 0.00 C ATOM 1587 O LEU A 97 1.226 -2.139 6.086 1.00 0.00 O ATOM 1588 CB LEU A 97 4.319 -1.309 5.072 1.00 0.00 C ATOM 1589 CG LEU A 97 5.153 -0.630 3.983 1.00 0.00 C ATOM 1590 CD1 LEU A 97 6.482 -1.346 3.813 1.00 0.00 C ATOM 1591 CD2 LEU A 97 4.392 -0.594 2.667 1.00 0.00 C ATOM 0 H LEU A 97 4.122 0.990 5.960 1.00 0.00 H new ATOM 0 HA LEU A 97 2.380 -0.628 4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.902 -1.330 5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.146 -2.345 4.781 1.00 0.00 H new ATOM 0 HG LEU A 97 5.350 0.397 4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.064 -0.852 3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.033 -1.317 4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 97 6.303 -2.383 3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.003 -0.107 1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.163 -1.612 2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.464 -0.037 2.798 1.00 0.00 H new ATOM 1603 N GLU A 98 2.660 -1.408 7.659 1.00 0.00 N ATOM 1604 CA GLU A 98 2.006 -2.121 8.756 1.00 0.00 C ATOM 1605 C GLU A 98 0.552 -1.687 8.887 1.00 0.00 C ATOM 1606 O GLU A 98 -0.319 -2.487 9.229 1.00 0.00 O ATOM 1607 CB GLU A 98 2.734 -1.874 10.080 1.00 0.00 C ATOM 1608 CG GLU A 98 4.134 -2.457 10.136 1.00 0.00 C ATOM 1609 CD GLU A 98 4.781 -2.281 11.495 1.00 0.00 C ATOM 1610 OE1 GLU A 98 4.429 -3.033 12.428 1.00 0.00 O ATOM 1611 OE2 GLU A 98 5.641 -1.390 11.644 1.00 0.00 O ATOM 0 H GLU A 98 3.477 -0.866 7.939 1.00 0.00 H new ATOM 0 HA GLU A 98 2.043 -3.186 8.527 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.792 -0.800 10.255 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.143 -2.298 10.892 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.092 -3.518 9.892 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.754 -1.979 9.377 1.00 0.00 H new ATOM 1618 N LYS A 99 0.300 -0.413 8.615 1.00 0.00 N ATOM 1619 CA LYS A 99 -1.050 0.130 8.664 1.00 0.00 C ATOM 1620 C LYS A 99 -1.918 -0.501 7.577 1.00 0.00 C ATOM 1621 O LYS A 99 -3.088 -0.810 7.806 1.00 0.00 O ATOM 1622 CB LYS A 99 -1.012 1.654 8.506 1.00 0.00 C ATOM 1623 CG LYS A 99 -2.378 2.319 8.582 1.00 0.00 C ATOM 1624 CD LYS A 99 -2.262 3.836 8.589 1.00 0.00 C ATOM 1625 CE LYS A 99 -1.632 4.363 7.314 1.00 0.00 C ATOM 1626 NZ LYS A 99 -1.450 5.840 7.349 1.00 0.00 N ATOM 0 H LYS A 99 1.017 0.266 8.357 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.488 -0.108 9.633 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -0.372 2.073 9.282 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.553 1.898 7.548 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.985 2.004 7.733 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.895 1.989 9.483 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.252 4.275 8.713 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -1.665 4.150 9.445 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -0.665 3.882 7.162 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.258 4.095 6.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.177 6.179 6.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.341 6.293 7.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -0.704 6.082 8.032 1.00 0.00 H new ATOM 1640 N LEU A 100 -1.328 -0.707 6.405 1.00 0.00 N ATOM 1641 CA LEU A 100 -2.032 -1.320 5.285 1.00 0.00 C ATOM 1642 C LEU A 100 -2.247 -2.809 5.534 1.00 0.00 C ATOM 1643 O LEU A 100 -3.360 -3.316 5.374 1.00 0.00 O ATOM 1644 CB LEU A 100 -1.251 -1.112 3.985 1.00 0.00 C ATOM 1645 CG LEU A 100 -1.893 -1.718 2.735 1.00 0.00 C ATOM 1646 CD1 LEU A 100 -3.277 -1.130 2.504 1.00 0.00 C ATOM 1647 CD2 LEU A 100 -1.006 -1.487 1.524 1.00 0.00 C ATOM 0 H LEU A 100 -0.359 -0.457 6.205 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.006 -0.840 5.191 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.122 -0.042 3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.255 -1.539 4.106 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.001 -2.792 2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.716 -1.574 1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.911 -1.343 3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.196 -0.051 2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.474 -1.923 0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.870 -0.416 1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.036 -1.956 1.689 1.00 0.00 H new ATOM 1659 N ASP A 101 -1.182 -3.497 5.935 1.00 0.00 N ATOM 1660 CA ASP A 101 -1.249 -4.927 6.238 1.00 0.00 C ATOM 1661 C ASP A 101 -2.334 -5.202 7.274 1.00 0.00 C ATOM 1662 O ASP A 101 -3.096 -6.162 7.156 1.00 0.00 O ATOM 1663 CB ASP A 101 0.102 -5.443 6.763 1.00 0.00 C ATOM 1664 CG ASP A 101 1.201 -5.479 5.710 1.00 0.00 C ATOM 1665 OD1 ASP A 101 0.900 -5.338 4.509 1.00 0.00 O ATOM 1666 OD2 ASP A 101 2.383 -5.664 6.087 1.00 0.00 O ATOM 0 H ASP A 101 -0.257 -3.086 6.059 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.491 -5.452 5.314 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.425 -4.810 7.589 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.035 -6.447 7.165 1.00 0.00 H new ATOM 1671 N ALA A 102 -2.416 -4.336 8.280 1.00 0.00 N ATOM 1672 CA ALA A 102 -3.401 -4.479 9.347 1.00 0.00 C ATOM 1673 C ALA A 102 -4.823 -4.280 8.832 1.00 0.00 C ATOM 1674 O ALA A 102 -5.765 -4.863 9.366 1.00 0.00 O ATOM 1675 CB ALA A 102 -3.116 -3.496 10.469 1.00 0.00 C ATOM 0 H ALA A 102 -1.808 -3.523 8.378 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.320 -5.496 9.730 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.860 -3.617 11.256 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -2.123 -3.687 10.876 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -3.160 -2.478 10.081 1.00 0.00 H new ATOM 1681 N LEU A 103 -4.975 -3.464 7.795 1.00 0.00 N ATOM 1682 CA LEU A 103 -6.292 -3.198 7.225 1.00 0.00 C ATOM 1683 C LEU A 103 -6.830 -4.425 6.507 1.00 0.00 C ATOM 1684 O LEU A 103 -8.027 -4.696 6.537 1.00 0.00 O ATOM 1685 CB LEU A 103 -6.244 -2.005 6.274 1.00 0.00 C ATOM 1686 CG LEU A 103 -6.058 -0.649 6.951 1.00 0.00 C ATOM 1687 CD1 LEU A 103 -5.977 0.452 5.911 1.00 0.00 C ATOM 1688 CD2 LEU A 103 -7.195 -0.378 7.924 1.00 0.00 C ATOM 0 H LEU A 103 -4.207 -2.977 7.333 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.967 -2.956 8.046 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.429 -2.156 5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.168 -1.982 5.696 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.123 -0.667 7.511 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.844 1.413 6.408 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.131 0.266 5.249 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.897 0.469 5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.046 0.593 8.397 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.143 -0.377 7.385 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.213 -1.155 8.688 1.00 0.00 H new ATOM 1700 N PHE A 104 -5.944 -5.165 5.857 1.00 0.00 N ATOM 1701 CA PHE A 104 -6.327 -6.431 5.250 1.00 0.00 C ATOM 1702 C PHE A 104 -6.511 -7.481 6.331 1.00 0.00 C ATOM 1703 O PHE A 104 -7.383 -8.343 6.239 1.00 0.00 O ATOM 1704 CB PHE A 104 -5.284 -6.887 4.230 1.00 0.00 C ATOM 1705 CG PHE A 104 -5.298 -6.069 2.970 1.00 0.00 C ATOM 1706 CD1 PHE A 104 -6.207 -6.348 1.962 1.00 0.00 C ATOM 1707 CD2 PHE A 104 -4.412 -5.020 2.795 1.00 0.00 C ATOM 1708 CE1 PHE A 104 -6.231 -5.597 0.803 1.00 0.00 C ATOM 1709 CE2 PHE A 104 -4.432 -4.265 1.637 1.00 0.00 C ATOM 1710 CZ PHE A 104 -5.342 -4.555 0.641 1.00 0.00 C ATOM 0 H PHE A 104 -4.963 -4.914 5.737 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.270 -6.294 4.722 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.294 -6.831 4.682 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -5.462 -7.933 3.980 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.905 -7.163 2.084 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.698 -4.789 3.571 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.945 -5.825 0.025 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.736 -3.449 1.512 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.358 -3.967 -0.265 1.00 0.00 H new ATOM 1720 N ALA A 105 -5.707 -7.372 7.378 1.00 0.00 N ATOM 1721 CA ALA A 105 -5.777 -8.288 8.506 1.00 0.00 C ATOM 1722 C ALA A 105 -7.007 -8.020 9.370 1.00 0.00 C ATOM 1723 O ALA A 105 -7.209 -8.681 10.389 1.00 0.00 O ATOM 1724 CB ALA A 105 -4.511 -8.187 9.341 1.00 0.00 C ATOM 0 H ALA A 105 -4.992 -6.651 7.470 1.00 0.00 H new ATOM 0 HA ALA A 105 -5.865 -9.300 8.111 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -4.574 -8.877 10.183 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -3.648 -8.443 8.726 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -4.401 -7.169 9.714 1.00 0.00 H new ATOM 1730 N ASP A 106 -7.813 -7.038 8.976 1.00 0.00 N ATOM 1731 CA ASP A 106 -9.078 -6.767 9.652 1.00 0.00 C ATOM 1732 C ASP A 106 -10.017 -7.949 9.471 1.00 0.00 C ATOM 1733 O ASP A 106 -10.648 -8.415 10.422 1.00 0.00 O ATOM 1734 CB ASP A 106 -9.732 -5.498 9.099 1.00 0.00 C ATOM 1735 CG ASP A 106 -11.100 -5.236 9.704 1.00 0.00 C ATOM 1736 OD1 ASP A 106 -11.172 -4.553 10.748 1.00 0.00 O ATOM 1737 OD2 ASP A 106 -12.109 -5.712 9.145 1.00 0.00 O ATOM 0 H ASP A 106 -7.613 -6.417 8.192 1.00 0.00 H new ATOM 0 HA ASP A 106 -8.878 -6.616 10.713 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -9.083 -4.644 9.294 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.828 -5.585 8.017 1.00 0.00 H new ATOM 1742 N ASP A 107 -10.091 -8.435 8.242 1.00 0.00 N ATOM 1743 CA ASP A 107 -10.888 -9.606 7.935 1.00 0.00 C ATOM 1744 C ASP A 107 -9.984 -10.821 7.799 1.00 0.00 C ATOM 1745 O ASP A 107 -9.315 -10.999 6.780 1.00 0.00 O ATOM 1746 CB ASP A 107 -11.696 -9.404 6.648 1.00 0.00 C ATOM 1747 CG ASP A 107 -12.556 -10.610 6.304 1.00 0.00 C ATOM 1748 OD1 ASP A 107 -13.603 -10.806 6.962 1.00 0.00 O ATOM 1749 OD2 ASP A 107 -12.200 -11.360 5.375 1.00 0.00 O ATOM 0 H ASP A 107 -9.606 -8.033 7.440 1.00 0.00 H new ATOM 0 HA ASP A 107 -11.591 -9.766 8.752 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -12.334 -8.527 6.757 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -11.014 -9.201 5.823 1.00 0.00 H new