USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 869 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 32 TYR OH : rot 180:sc= -1.83! USER MOD Set 1.2: A 64 LYS NZ :NH3+ -179:sc= 0.0383 (180deg=0.0289) USER MOD Single : A 8 HIS : no HD1:sc= -0.0582 X(o=-0.058,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.357 K(o=-0.36,f=-2.8!) USER MOD Single : A 24 HIS : no HD1:sc= -0.507 X(o=-0.51,f=-0.54) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 152:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 126:sc= -4.15! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.0681) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 150:sc= -0.0559 USER MOD Single : A 68 THR OG1 : rot 110:sc= -0.311 USER MOD Single : A 71 SER OG : rot 85:sc= 1.04 USER MOD Single : A 75 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.48) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot -88:sc= 0.778 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.33 USER MOD Single : A 84 THR OG1 : rot -129:sc= -1.05 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.0605 X(o=-0.06,f=-0.027) USER MOD Single : A 93 THR OG1 : rot 39:sc= 0.165 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 24:sc= -6.27! USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -0.0422 K(o=-0.042,f=-0.86!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 -4.004 4.114 13.401 1.00 1.37 N ATOM 40 CA GLU A 4 -3.074 3.119 14.007 1.00 1.14 C ATOM 41 C GLU A 4 -2.756 2.012 12.998 1.00 0.89 C ATOM 42 O GLU A 4 -3.580 1.652 12.180 1.00 1.30 O ATOM 43 CB GLU A 4 -3.832 2.549 15.207 1.00 1.67 C ATOM 44 CG GLU A 4 -2.929 1.578 15.969 1.00 2.39 C ATOM 45 CD GLU A 4 -2.228 0.648 14.978 1.00 2.65 C ATOM 46 OE1 GLU A 4 -2.921 -0.001 14.212 1.00 3.05 O ATOM 47 OE2 GLU A 4 -1.009 0.600 15.001 1.00 3.09 O ATOM 0 HA GLU A 4 -2.124 3.565 14.300 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -4.152 3.357 15.865 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -4.733 2.036 14.871 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -2.191 2.131 16.550 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -3.519 0.995 16.676 1.00 2.39 H new ATOM 54 N GLU A 5 -1.570 1.471 13.047 1.00 1.00 N ATOM 55 CA GLU A 5 -1.204 0.389 12.088 1.00 0.81 C ATOM 56 C GLU A 5 -2.012 -0.876 12.384 1.00 0.87 C ATOM 57 O GLU A 5 -2.710 -0.963 13.375 1.00 1.15 O ATOM 58 CB GLU A 5 0.285 0.140 12.324 1.00 0.95 C ATOM 59 CG GLU A 5 1.060 1.439 12.099 1.00 1.46 C ATOM 60 CD GLU A 5 2.503 1.114 11.707 1.00 1.82 C ATOM 61 OE1 GLU A 5 3.130 0.345 12.416 1.00 2.19 O ATOM 62 OE2 GLU A 5 2.956 1.639 10.702 1.00 2.50 O ATOM 0 H GLU A 5 -0.839 1.731 13.709 1.00 1.00 H new ATOM 0 HA GLU A 5 -1.414 0.665 11.054 1.00 0.81 H new ATOM 0 HB2 GLU A 5 0.448 -0.222 13.339 1.00 0.95 H new ATOM 0 HB3 GLU A 5 0.647 -0.634 11.647 1.00 0.95 H new ATOM 0 HG2 GLU A 5 0.583 2.028 11.315 1.00 1.46 H new ATOM 0 HG3 GLU A 5 1.046 2.044 13.005 1.00 1.46 H new ATOM 69 N GLU A 6 -1.921 -1.859 11.532 1.00 0.79 N ATOM 70 CA GLU A 6 -2.683 -3.121 11.767 1.00 1.04 C ATOM 71 C GLU A 6 -1.727 -4.319 11.765 1.00 1.10 C ATOM 72 O GLU A 6 -1.232 -4.727 12.796 1.00 1.76 O ATOM 73 CB GLU A 6 -3.676 -3.207 10.606 1.00 1.28 C ATOM 74 CG GLU A 6 -5.018 -2.612 11.039 1.00 1.68 C ATOM 75 CD GLU A 6 -5.928 -3.728 11.555 1.00 1.97 C ATOM 76 OE1 GLU A 6 -6.027 -4.742 10.884 1.00 2.63 O ATOM 77 OE2 GLU A 6 -6.510 -3.550 12.612 1.00 2.24 O ATOM 0 H GLU A 6 -1.354 -1.845 10.684 1.00 0.79 H new ATOM 0 HA GLU A 6 -3.193 -3.129 12.731 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -3.289 -2.668 9.741 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -3.807 -4.245 10.302 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -4.863 -1.866 11.818 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -5.490 -2.102 10.199 1.00 1.68 H new ATOM 84 N ASP A 7 -1.448 -4.878 10.617 1.00 1.27 N ATOM 85 CA ASP A 7 -0.510 -6.036 10.563 1.00 1.35 C ATOM 86 C ASP A 7 0.893 -5.528 10.234 1.00 1.28 C ATOM 87 O ASP A 7 1.413 -5.755 9.160 1.00 2.01 O ATOM 88 CB ASP A 7 -1.040 -6.930 9.441 1.00 1.53 C ATOM 89 CG ASP A 7 -2.301 -7.653 9.919 1.00 1.92 C ATOM 90 OD1 ASP A 7 -3.375 -7.097 9.762 1.00 2.57 O ATOM 91 OD2 ASP A 7 -2.170 -8.752 10.432 1.00 2.36 O ATOM 0 H ASP A 7 -1.828 -4.583 9.717 1.00 1.27 H new ATOM 0 HA ASP A 7 -0.451 -6.578 11.507 1.00 1.35 H new ATOM 0 HB2 ASP A 7 -1.264 -6.331 8.559 1.00 1.53 H new ATOM 0 HB3 ASP A 7 -0.280 -7.655 9.149 1.00 1.53 H new ATOM 96 N HIS A 8 1.503 -4.821 11.152 1.00 1.21 N ATOM 97 CA HIS A 8 2.872 -4.263 10.909 1.00 1.11 C ATOM 98 C HIS A 8 2.834 -3.228 9.774 1.00 0.81 C ATOM 99 O HIS A 8 3.859 -2.797 9.285 1.00 0.87 O ATOM 100 CB HIS A 8 3.752 -5.458 10.522 1.00 1.32 C ATOM 101 CG HIS A 8 4.931 -5.534 11.454 1.00 1.61 C ATOM 102 ND1 HIS A 8 5.287 -6.706 12.103 1.00 2.30 N ATOM 103 CD2 HIS A 8 5.846 -4.591 11.853 1.00 2.02 C ATOM 104 CE1 HIS A 8 6.373 -6.440 12.853 1.00 2.53 C ATOM 105 NE2 HIS A 8 6.755 -5.166 12.737 1.00 2.33 N ATOM 0 H HIS A 8 1.109 -4.604 12.067 1.00 1.21 H new ATOM 0 HA HIS A 8 3.260 -3.754 11.791 1.00 1.11 H new ATOM 0 HB2 HIS A 8 3.174 -6.381 10.573 1.00 1.32 H new ATOM 0 HB3 HIS A 8 4.095 -5.353 9.493 1.00 1.32 H new ATOM 0 HD2 HIS A 8 5.859 -3.560 11.530 1.00 2.02 H new ATOM 0 HE1 HIS A 8 6.874 -7.169 13.473 1.00 2.53 H new ATOM 0 HE2 HIS A 8 7.544 -4.711 13.197 1.00 2.33 H new ATOM 113 N VAL A 9 1.663 -2.820 9.355 1.00 0.69 N ATOM 114 CA VAL A 9 1.562 -1.819 8.267 1.00 0.49 C ATOM 115 C VAL A 9 0.542 -0.742 8.643 1.00 0.41 C ATOM 116 O VAL A 9 -0.159 -0.857 9.629 1.00 0.54 O ATOM 117 CB VAL A 9 1.081 -2.611 7.060 1.00 0.68 C ATOM 118 CG1 VAL A 9 2.126 -3.665 6.687 1.00 0.89 C ATOM 119 CG2 VAL A 9 -0.247 -3.296 7.381 1.00 0.88 C ATOM 0 H VAL A 9 0.770 -3.144 9.727 1.00 0.69 H new ATOM 0 HA VAL A 9 2.507 -1.311 8.074 1.00 0.49 H new ATOM 0 HB VAL A 9 0.937 -1.930 6.221 1.00 0.68 H new ATOM 0 HG11 VAL A 9 1.779 -4.231 5.822 1.00 0.89 H new ATOM 0 HG12 VAL A 9 3.068 -3.173 6.445 1.00 0.89 H new ATOM 0 HG13 VAL A 9 2.276 -4.342 7.528 1.00 0.89 H new ATOM 0 HG21 VAL A 9 -0.584 -3.861 6.512 1.00 0.88 H new ATOM 0 HG22 VAL A 9 -0.112 -3.974 8.224 1.00 0.88 H new ATOM 0 HG23 VAL A 9 -0.993 -2.543 7.636 1.00 0.88 H new ATOM 129 N LEU A 10 0.452 0.302 7.871 1.00 0.41 N ATOM 130 CA LEU A 10 -0.523 1.384 8.195 1.00 0.54 C ATOM 131 C LEU A 10 -1.909 1.047 7.636 1.00 0.42 C ATOM 132 O LEU A 10 -2.076 0.117 6.873 1.00 0.59 O ATOM 133 CB LEU A 10 0.036 2.632 7.511 1.00 0.83 C ATOM 134 CG LEU A 10 -0.131 3.840 8.434 1.00 0.96 C ATOM 135 CD1 LEU A 10 1.219 4.196 9.058 1.00 1.49 C ATOM 136 CD2 LEU A 10 -0.647 5.031 7.625 1.00 1.30 C ATOM 0 H LEU A 10 1.009 0.455 7.030 1.00 0.41 H new ATOM 0 HA LEU A 10 -0.642 1.519 9.270 1.00 0.54 H new ATOM 0 HB2 LEU A 10 1.089 2.487 7.272 1.00 0.83 H new ATOM 0 HB3 LEU A 10 -0.484 2.807 6.569 1.00 0.83 H new ATOM 0 HG LEU A 10 -0.844 3.599 9.223 1.00 0.96 H new ATOM 0 HD11 LEU A 10 1.100 5.057 9.716 1.00 1.49 H new ATOM 0 HD12 LEU A 10 1.589 3.348 9.634 1.00 1.49 H new ATOM 0 HD13 LEU A 10 1.932 4.438 8.270 1.00 1.49 H new ATOM 0 HD21 LEU A 10 -0.766 5.893 8.282 1.00 1.30 H new ATOM 0 HD22 LEU A 10 0.066 5.272 6.837 1.00 1.30 H new ATOM 0 HD23 LEU A 10 -1.609 4.779 7.179 1.00 1.30 H new ATOM 148 N VAL A 11 -2.901 1.806 8.007 1.00 0.54 N ATOM 149 CA VAL A 11 -4.279 1.550 7.495 1.00 0.46 C ATOM 150 C VAL A 11 -4.823 2.826 6.846 1.00 0.43 C ATOM 151 O VAL A 11 -4.350 3.913 7.116 1.00 0.54 O ATOM 152 CB VAL A 11 -5.101 1.175 8.728 1.00 0.61 C ATOM 153 CG1 VAL A 11 -5.117 2.348 9.711 1.00 1.39 C ATOM 154 CG2 VAL A 11 -6.534 0.846 8.303 1.00 1.04 C ATOM 0 H VAL A 11 -2.818 2.597 8.646 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.311 0.762 6.742 1.00 0.46 H new ATOM 0 HB VAL A 11 -4.655 0.305 9.210 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -5.704 2.079 10.589 1.00 1.39 H new ATOM 0 HG12 VAL A 11 -4.097 2.583 10.014 1.00 1.39 H new ATOM 0 HG13 VAL A 11 -5.562 3.219 9.231 1.00 1.39 H new ATOM 0 HG21 VAL A 11 -7.122 0.578 9.181 1.00 1.04 H new ATOM 0 HG22 VAL A 11 -6.979 1.716 7.820 1.00 1.04 H new ATOM 0 HG23 VAL A 11 -6.523 0.009 7.605 1.00 1.04 H new ATOM 164 N LEU A 12 -5.801 2.713 5.990 1.00 0.40 N ATOM 165 CA LEU A 12 -6.344 3.939 5.336 1.00 0.45 C ATOM 166 C LEU A 12 -7.874 3.939 5.352 1.00 0.44 C ATOM 167 O LEU A 12 -8.510 2.908 5.462 1.00 0.58 O ATOM 168 CB LEU A 12 -5.820 3.890 3.901 1.00 0.63 C ATOM 169 CG LEU A 12 -5.050 5.177 3.593 1.00 0.76 C ATOM 170 CD1 LEU A 12 -3.892 5.329 4.582 1.00 0.82 C ATOM 171 CD2 LEU A 12 -4.497 5.111 2.167 1.00 1.16 C ATOM 0 H LEU A 12 -6.244 1.836 5.717 1.00 0.40 H new ATOM 0 HA LEU A 12 -6.033 4.845 5.856 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -5.170 3.025 3.769 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -6.650 3.775 3.204 1.00 0.63 H new ATOM 0 HG LEU A 12 -5.720 6.032 3.685 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -3.344 6.245 4.363 1.00 0.82 H new ATOM 0 HD12 LEU A 12 -4.285 5.376 5.598 1.00 0.82 H new ATOM 0 HD13 LEU A 12 -3.221 4.475 4.491 1.00 0.82 H new ATOM 0 HD21 LEU A 12 -3.949 6.027 1.947 1.00 1.16 H new ATOM 0 HD22 LEU A 12 -3.827 4.256 2.076 1.00 1.16 H new ATOM 0 HD23 LEU A 12 -5.321 5.003 1.462 1.00 1.16 H new ATOM 183 N ARG A 13 -8.464 5.096 5.240 1.00 0.47 N ATOM 184 CA ARG A 13 -9.950 5.193 5.243 1.00 0.55 C ATOM 185 C ARG A 13 -10.391 6.412 4.423 1.00 0.54 C ATOM 186 O ARG A 13 -9.626 6.960 3.654 1.00 0.73 O ATOM 187 CB ARG A 13 -10.330 5.363 6.715 1.00 0.69 C ATOM 188 CG ARG A 13 -10.216 4.015 7.428 1.00 1.19 C ATOM 189 CD ARG A 13 -10.900 4.101 8.794 1.00 1.28 C ATOM 190 NE ARG A 13 -10.964 2.693 9.278 1.00 1.86 N ATOM 191 CZ ARG A 13 -11.926 2.321 10.076 1.00 2.30 C ATOM 192 NH1 ARG A 13 -12.108 2.938 11.211 1.00 2.68 N ATOM 193 NH2 ARG A 13 -12.708 1.332 9.737 1.00 2.84 N ATOM 0 H ARG A 13 -7.976 5.987 5.146 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.430 4.320 4.801 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -9.675 6.094 7.189 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -11.347 5.746 6.798 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -10.679 3.233 6.826 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -9.167 3.744 7.551 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -10.334 4.730 9.481 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -11.896 4.536 8.711 1.00 1.28 H new ATOM 0 HE ARG A 13 -10.255 2.020 8.985 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -11.498 3.712 11.474 1.00 2.68 H new ATOM 0 HH12 ARG A 13 -12.861 2.647 11.835 1.00 2.68 H new ATOM 0 HH21 ARG A 13 -12.566 0.851 8.849 1.00 2.84 H new ATOM 0 HH22 ARG A 13 -13.461 1.040 10.360 1.00 2.84 H new ATOM 207 N LYS A 14 -11.615 6.840 4.577 1.00 0.58 N ATOM 208 CA LYS A 14 -12.094 8.020 3.801 1.00 0.63 C ATOM 209 C LYS A 14 -11.371 9.293 4.257 1.00 0.65 C ATOM 210 O LYS A 14 -11.187 10.219 3.493 1.00 0.83 O ATOM 211 CB LYS A 14 -13.590 8.116 4.105 1.00 0.74 C ATOM 212 CG LYS A 14 -14.387 7.540 2.931 1.00 1.26 C ATOM 213 CD LYS A 14 -15.571 8.457 2.617 1.00 1.92 C ATOM 214 CE LYS A 14 -16.826 7.930 3.319 1.00 2.26 C ATOM 215 NZ LYS A 14 -17.481 9.137 3.895 1.00 2.80 N ATOM 0 H LYS A 14 -12.303 6.425 5.205 1.00 0.58 H new ATOM 0 HA LYS A 14 -11.899 7.913 2.734 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -13.822 7.569 5.019 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -13.872 9.155 4.275 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -13.746 7.444 2.055 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -14.744 6.540 3.176 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -15.356 9.473 2.948 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -15.735 8.501 1.540 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -17.486 7.420 2.617 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -16.570 7.211 4.097 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -18.350 8.856 4.393 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -16.832 9.598 4.564 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -17.719 9.801 3.131 1.00 2.80 H new ATOM 229 N SER A 15 -10.964 9.349 5.497 1.00 0.68 N ATOM 230 CA SER A 15 -10.258 10.567 5.993 1.00 0.88 C ATOM 231 C SER A 15 -8.761 10.293 6.193 1.00 0.81 C ATOM 232 O SER A 15 -8.015 11.161 6.601 1.00 1.05 O ATOM 233 CB SER A 15 -10.925 10.889 7.331 1.00 1.10 C ATOM 234 OG SER A 15 -12.042 11.737 7.111 1.00 1.68 O ATOM 0 H SER A 15 -11.089 8.607 6.186 1.00 0.68 H new ATOM 0 HA SER A 15 -10.328 11.392 5.285 1.00 0.88 H new ATOM 0 HB2 SER A 15 -11.244 9.969 7.821 1.00 1.10 H new ATOM 0 HB3 SER A 15 -10.212 11.374 7.997 1.00 1.10 H new ATOM 0 HG SER A 15 -12.471 11.942 7.968 1.00 1.68 H new ATOM 240 N ASN A 16 -8.310 9.099 5.910 1.00 0.65 N ATOM 241 CA ASN A 16 -6.862 8.790 6.088 1.00 0.68 C ATOM 242 C ASN A 16 -6.155 8.781 4.731 1.00 0.55 C ATOM 243 O ASN A 16 -5.003 9.148 4.614 1.00 0.56 O ATOM 244 CB ASN A 16 -6.835 7.395 6.711 1.00 0.87 C ATOM 245 CG ASN A 16 -6.279 7.470 8.132 1.00 0.91 C ATOM 246 OD1 ASN A 16 -5.630 8.430 8.496 1.00 1.74 O ATOM 247 ND2 ASN A 16 -6.509 6.486 8.955 1.00 0.98 N ATOM 0 H ASN A 16 -8.880 8.327 5.564 1.00 0.65 H new ATOM 0 HA ASN A 16 -6.353 9.528 6.708 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -7.841 6.975 6.727 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -6.220 6.729 6.106 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -6.144 6.521 9.907 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -7.054 5.681 8.647 1.00 0.98 H new ATOM 254 N PHE A 17 -6.839 8.364 3.704 1.00 0.55 N ATOM 255 CA PHE A 17 -6.212 8.328 2.350 1.00 0.51 C ATOM 256 C PHE A 17 -5.664 9.708 1.981 1.00 0.46 C ATOM 257 O PHE A 17 -4.479 9.884 1.780 1.00 0.52 O ATOM 258 CB PHE A 17 -7.344 7.939 1.402 1.00 0.56 C ATOM 259 CG PHE A 17 -6.790 7.750 0.011 1.00 0.62 C ATOM 260 CD1 PHE A 17 -6.616 8.856 -0.830 1.00 0.79 C ATOM 261 CD2 PHE A 17 -6.452 6.468 -0.438 1.00 0.78 C ATOM 262 CE1 PHE A 17 -6.102 8.679 -2.120 1.00 0.90 C ATOM 263 CE2 PHE A 17 -5.939 6.292 -1.728 1.00 0.89 C ATOM 264 CZ PHE A 17 -5.761 7.400 -2.569 1.00 0.87 C ATOM 0 H PHE A 17 -7.807 8.045 3.741 1.00 0.55 H new ATOM 0 HA PHE A 17 -5.376 7.630 2.303 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -7.820 7.020 1.744 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -8.112 8.713 1.398 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -6.878 9.845 -0.484 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -6.587 5.615 0.211 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -5.969 9.532 -2.769 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -5.680 5.303 -2.076 1.00 0.89 H new ATOM 0 HZ PHE A 17 -5.361 7.265 -3.563 1.00 0.87 H new ATOM 274 N ALA A 18 -6.522 10.687 1.888 1.00 0.52 N ATOM 275 CA ALA A 18 -6.055 12.058 1.529 1.00 0.66 C ATOM 276 C ALA A 18 -4.918 12.492 2.460 1.00 0.59 C ATOM 277 O ALA A 18 -4.120 13.345 2.125 1.00 0.75 O ATOM 278 CB ALA A 18 -7.278 12.955 1.720 1.00 0.84 C ATOM 0 H ALA A 18 -7.526 10.598 2.045 1.00 0.52 H new ATOM 0 HA ALA A 18 -5.667 12.109 0.512 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -7.016 13.984 1.475 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -8.081 12.619 1.064 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -7.610 12.902 2.757 1.00 0.84 H new ATOM 284 N GLU A 19 -4.839 11.909 3.623 1.00 0.46 N ATOM 285 CA GLU A 19 -3.754 12.283 4.575 1.00 0.49 C ATOM 286 C GLU A 19 -2.458 11.564 4.200 1.00 0.48 C ATOM 287 O GLU A 19 -1.467 12.182 3.874 1.00 0.56 O ATOM 288 CB GLU A 19 -4.254 11.812 5.941 1.00 0.55 C ATOM 289 CG GLU A 19 -3.286 12.277 7.031 1.00 0.69 C ATOM 290 CD GLU A 19 -3.970 12.175 8.396 1.00 1.04 C ATOM 291 OE1 GLU A 19 -4.614 11.168 8.640 1.00 1.78 O ATOM 292 OE2 GLU A 19 -3.839 13.106 9.174 1.00 1.66 O ATOM 0 H GLU A 19 -5.479 11.189 3.957 1.00 0.46 H new ATOM 0 HA GLU A 19 -3.539 13.352 4.565 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -5.251 12.210 6.132 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -4.337 10.725 5.954 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -2.384 11.665 7.017 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -2.976 13.305 6.843 1.00 0.69 H new ATOM 299 N ALA A 20 -2.462 10.260 4.242 1.00 0.45 N ATOM 300 CA ALA A 20 -1.230 9.496 3.886 1.00 0.53 C ATOM 301 C ALA A 20 -0.708 9.941 2.518 1.00 0.57 C ATOM 302 O ALA A 20 0.482 9.950 2.268 1.00 0.71 O ATOM 303 CB ALA A 20 -1.672 8.033 3.842 1.00 0.57 C ATOM 0 H ALA A 20 -3.265 9.689 4.507 1.00 0.45 H new ATOM 0 HA ALA A 20 -0.423 9.657 4.600 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -0.820 7.403 3.586 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.059 7.740 4.818 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.452 7.911 3.091 1.00 0.57 H new ATOM 309 N LEU A 21 -1.590 10.312 1.633 1.00 0.55 N ATOM 310 CA LEU A 21 -1.150 10.760 0.279 1.00 0.69 C ATOM 311 C LEU A 21 -0.238 11.980 0.401 1.00 0.75 C ATOM 312 O LEU A 21 0.827 12.037 -0.181 1.00 0.92 O ATOM 313 CB LEU A 21 -2.448 11.122 -0.449 1.00 0.74 C ATOM 314 CG LEU A 21 -2.850 9.993 -1.407 1.00 0.84 C ATOM 315 CD1 LEU A 21 -1.828 9.900 -2.540 1.00 1.44 C ATOM 316 CD2 LEU A 21 -2.902 8.657 -0.656 1.00 0.90 C ATOM 0 H LEU A 21 -2.598 10.325 1.787 1.00 0.55 H new ATOM 0 HA LEU A 21 -0.583 9.996 -0.253 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -3.244 11.295 0.275 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -2.315 12.050 -1.005 1.00 0.74 H new ATOM 0 HG LEU A 21 -3.836 10.209 -1.817 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -2.112 9.098 -3.222 1.00 1.44 H new ATOM 0 HD12 LEU A 21 -1.800 10.845 -3.083 1.00 1.44 H new ATOM 0 HD13 LEU A 21 -0.842 9.691 -2.125 1.00 1.44 H new ATOM 0 HD21 LEU A 21 -3.188 7.863 -1.346 1.00 0.90 H new ATOM 0 HD22 LEU A 21 -1.920 8.437 -0.237 1.00 0.90 H new ATOM 0 HD23 LEU A 21 -3.634 8.720 0.149 1.00 0.90 H new ATOM 328 N ALA A 22 -0.651 12.955 1.158 1.00 0.71 N ATOM 329 CA ALA A 22 0.186 14.178 1.330 1.00 0.85 C ATOM 330 C ALA A 22 1.136 14.004 2.519 1.00 0.89 C ATOM 331 O ALA A 22 2.133 14.689 2.635 1.00 1.08 O ATOM 332 CB ALA A 22 -0.813 15.302 1.603 1.00 1.00 C ATOM 0 H ALA A 22 -1.535 12.960 1.668 1.00 0.71 H new ATOM 0 HA ALA A 22 0.805 14.384 0.456 1.00 0.85 H new ATOM 0 HB1 ALA A 22 -0.276 16.240 1.742 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -1.495 15.396 0.758 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -1.381 15.073 2.504 1.00 1.00 H new ATOM 338 N ALA A 23 0.834 13.093 3.403 1.00 0.86 N ATOM 339 CA ALA A 23 1.714 12.872 4.585 1.00 0.93 C ATOM 340 C ALA A 23 3.164 12.664 4.139 1.00 0.85 C ATOM 341 O ALA A 23 4.021 13.491 4.381 1.00 0.95 O ATOM 342 CB ALA A 23 1.167 11.606 5.247 1.00 1.05 C ATOM 0 H ALA A 23 0.013 12.490 3.357 1.00 0.86 H new ATOM 0 HA ALA A 23 1.715 13.723 5.266 1.00 0.93 H new ATOM 0 HB1 ALA A 23 1.761 11.371 6.130 1.00 1.05 H new ATOM 0 HB2 ALA A 23 0.130 11.768 5.540 1.00 1.05 H new ATOM 0 HB3 ALA A 23 1.220 10.775 4.543 1.00 1.05 H new ATOM 348 N HIS A 24 3.445 11.567 3.491 1.00 0.83 N ATOM 349 CA HIS A 24 4.841 11.310 3.030 1.00 0.84 C ATOM 350 C HIS A 24 4.880 11.191 1.504 1.00 0.82 C ATOM 351 O HIS A 24 3.872 11.309 0.837 1.00 1.30 O ATOM 352 CB HIS A 24 5.236 9.982 3.681 1.00 0.95 C ATOM 353 CG HIS A 24 6.297 10.216 4.724 1.00 1.22 C ATOM 354 ND1 HIS A 24 6.626 9.257 5.669 1.00 1.80 N ATOM 355 CD2 HIS A 24 7.113 11.290 4.983 1.00 1.84 C ATOM 356 CE1 HIS A 24 7.600 9.768 6.445 1.00 2.04 C ATOM 357 NE2 HIS A 24 7.934 11.006 6.069 1.00 2.00 N ATOM 0 H HIS A 24 2.770 10.838 3.260 1.00 0.83 H new ATOM 0 HA HIS A 24 5.521 12.117 3.304 1.00 0.84 H new ATOM 0 HB2 HIS A 24 4.362 9.517 4.137 1.00 0.95 H new ATOM 0 HB3 HIS A 24 5.605 9.291 2.923 1.00 0.95 H new ATOM 0 HD2 HIS A 24 7.117 12.216 4.427 1.00 1.84 H new ATOM 0 HE1 HIS A 24 8.056 9.242 7.271 1.00 2.04 H new ATOM 0 HE2 HIS A 24 8.639 11.612 6.488 1.00 2.00 H new ATOM 365 N LYS A 25 6.038 10.956 0.949 1.00 0.72 N ATOM 366 CA LYS A 25 6.141 10.828 -0.534 1.00 0.69 C ATOM 367 C LYS A 25 5.856 9.385 -0.958 1.00 0.59 C ATOM 368 O LYS A 25 4.910 9.111 -1.669 1.00 0.68 O ATOM 369 CB LYS A 25 7.585 11.208 -0.864 1.00 0.81 C ATOM 370 CG LYS A 25 7.728 12.730 -0.852 1.00 1.20 C ATOM 371 CD LYS A 25 8.359 13.194 -2.166 1.00 1.51 C ATOM 372 CE LYS A 25 9.847 12.831 -2.175 1.00 2.06 C ATOM 373 NZ LYS A 25 10.550 14.106 -2.490 1.00 2.47 N ATOM 0 H LYS A 25 6.916 10.847 1.457 1.00 0.72 H new ATOM 0 HA LYS A 25 5.424 11.461 -1.056 1.00 0.69 H new ATOM 0 HB2 LYS A 25 8.264 10.763 -0.137 1.00 0.81 H new ATOM 0 HB3 LYS A 25 7.861 10.814 -1.842 1.00 0.81 H new ATOM 0 HG2 LYS A 25 6.752 13.197 -0.721 1.00 1.20 H new ATOM 0 HG3 LYS A 25 8.346 13.041 -0.010 1.00 1.20 H new ATOM 0 HD2 LYS A 25 7.854 12.724 -3.010 1.00 1.51 H new ATOM 0 HD3 LYS A 25 8.236 14.271 -2.280 1.00 1.51 H new ATOM 0 HE2 LYS A 25 10.163 12.434 -1.210 1.00 2.06 H new ATOM 0 HE3 LYS A 25 10.063 12.066 -2.921 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 11.576 13.940 -2.514 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 10.234 14.457 -3.417 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 10.331 14.813 -1.759 1.00 2.47 H new ATOM 387 N TYR A 26 6.668 8.460 -0.525 1.00 0.52 N ATOM 388 CA TYR A 26 6.447 7.034 -0.898 1.00 0.48 C ATOM 389 C TYR A 26 5.360 6.421 -0.011 1.00 0.46 C ATOM 390 O TYR A 26 5.591 6.105 1.140 1.00 0.53 O ATOM 391 CB TYR A 26 7.795 6.351 -0.648 1.00 0.56 C ATOM 392 CG TYR A 26 8.632 6.388 -1.908 1.00 0.65 C ATOM 393 CD1 TYR A 26 8.659 7.548 -2.692 1.00 0.75 C ATOM 394 CD2 TYR A 26 9.375 5.266 -2.296 1.00 1.08 C ATOM 395 CE1 TYR A 26 9.430 7.587 -3.860 1.00 0.87 C ATOM 396 CE2 TYR A 26 10.146 5.304 -3.464 1.00 1.31 C ATOM 397 CZ TYR A 26 10.188 6.449 -4.236 1.00 1.08 C ATOM 398 OH TYR A 26 10.933 6.504 -5.398 1.00 1.33 O ATOM 0 H TYR A 26 7.477 8.631 0.072 1.00 0.52 H new ATOM 0 HA TYR A 26 6.116 6.919 -1.930 1.00 0.48 H new ATOM 0 HB2 TYR A 26 8.322 6.853 0.164 1.00 0.56 H new ATOM 0 HB3 TYR A 26 7.637 5.319 -0.336 1.00 0.56 H new ATOM 0 HD1 TYR A 26 8.085 8.413 -2.395 1.00 0.75 H new ATOM 0 HD2 TYR A 26 9.353 4.370 -1.693 1.00 1.08 H new ATOM 0 HE1 TYR A 26 9.447 8.478 -4.470 1.00 0.87 H new ATOM 0 HE2 TYR A 26 10.711 4.434 -3.763 1.00 1.31 H new ATOM 0 HH TYR A 26 11.709 5.910 -5.318 1.00 1.33 H new ATOM 408 N LEU A 27 4.176 6.256 -0.532 1.00 0.46 N ATOM 409 CA LEU A 27 3.078 5.668 0.289 1.00 0.45 C ATOM 410 C LEU A 27 2.375 4.550 -0.484 1.00 0.40 C ATOM 411 O LEU A 27 1.758 4.779 -1.504 1.00 0.50 O ATOM 412 CB LEU A 27 2.116 6.829 0.550 1.00 0.51 C ATOM 413 CG LEU A 27 1.831 6.938 2.052 1.00 0.77 C ATOM 414 CD1 LEU A 27 1.127 5.668 2.532 1.00 1.93 C ATOM 415 CD2 LEU A 27 3.148 7.108 2.814 1.00 0.66 C ATOM 0 H LEU A 27 3.920 6.502 -1.488 1.00 0.46 H new ATOM 0 HA LEU A 27 3.446 5.226 1.215 1.00 0.45 H new ATOM 0 HB2 LEU A 27 2.548 7.761 0.184 1.00 0.51 H new ATOM 0 HB3 LEU A 27 1.186 6.672 0.004 1.00 0.51 H new ATOM 0 HG LEU A 27 1.191 7.801 2.236 1.00 0.77 H new ATOM 0 HD11 LEU A 27 0.924 5.746 3.600 1.00 1.93 H new ATOM 0 HD12 LEU A 27 0.188 5.547 1.992 1.00 1.93 H new ATOM 0 HD13 LEU A 27 1.766 4.805 2.346 1.00 1.93 H new ATOM 0 HD21 LEU A 27 2.943 7.185 3.882 1.00 0.66 H new ATOM 0 HD22 LEU A 27 3.789 6.246 2.629 1.00 0.66 H new ATOM 0 HD23 LEU A 27 3.651 8.014 2.474 1.00 0.66 H new ATOM 427 N LEU A 28 2.462 3.341 -0.001 1.00 0.33 N ATOM 428 CA LEU A 28 1.795 2.209 -0.705 1.00 0.32 C ATOM 429 C LEU A 28 0.445 1.908 -0.050 1.00 0.29 C ATOM 430 O LEU A 28 0.306 1.952 1.156 1.00 0.35 O ATOM 431 CB LEU A 28 2.758 1.023 -0.553 1.00 0.40 C ATOM 432 CG LEU A 28 2.373 -0.116 -1.513 1.00 0.53 C ATOM 433 CD1 LEU A 28 1.053 -0.746 -1.063 1.00 1.12 C ATOM 434 CD2 LEU A 28 2.221 0.422 -2.939 1.00 0.73 C ATOM 0 H LEU A 28 2.965 3.088 0.849 1.00 0.33 H new ATOM 0 HA LEU A 28 1.593 2.429 -1.753 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.778 1.348 -0.757 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.738 0.661 0.475 1.00 0.40 H new ATOM 0 HG LEU A 28 3.161 -0.869 -1.499 1.00 0.53 H new ATOM 0 HD11 LEU A 28 0.783 -1.552 -1.745 1.00 1.12 H new ATOM 0 HD12 LEU A 28 1.166 -1.146 -0.055 1.00 1.12 H new ATOM 0 HD13 LEU A 28 0.268 0.011 -1.068 1.00 1.12 H new ATOM 0 HD21 LEU A 28 1.948 -0.394 -3.609 1.00 0.73 H new ATOM 0 HD22 LEU A 28 1.442 1.184 -2.959 1.00 0.73 H new ATOM 0 HD23 LEU A 28 3.165 0.859 -3.265 1.00 0.73 H new ATOM 446 N VAL A 29 -0.551 1.603 -0.837 1.00 0.32 N ATOM 447 CA VAL A 29 -1.892 1.301 -0.260 1.00 0.32 C ATOM 448 C VAL A 29 -2.435 -0.008 -0.839 1.00 0.34 C ATOM 449 O VAL A 29 -2.271 -0.298 -2.007 1.00 0.47 O ATOM 450 CB VAL A 29 -2.772 2.481 -0.676 1.00 0.40 C ATOM 451 CG1 VAL A 29 -4.213 2.228 -0.231 1.00 0.37 C ATOM 452 CG2 VAL A 29 -2.251 3.761 -0.018 1.00 0.77 C ATOM 0 H VAL A 29 -0.494 1.550 -1.854 1.00 0.32 H new ATOM 0 HA VAL A 29 -1.860 1.177 0.822 1.00 0.32 H new ATOM 0 HB VAL A 29 -2.743 2.591 -1.760 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -4.839 3.070 -0.528 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -4.584 1.317 -0.700 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -4.245 2.117 0.853 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -2.877 4.603 -0.314 1.00 0.77 H new ATOM 0 HG22 VAL A 29 -2.280 3.650 1.066 1.00 0.77 H new ATOM 0 HG23 VAL A 29 -1.225 3.942 -0.337 1.00 0.77 H new ATOM 462 N GLU A 30 -3.084 -0.800 -0.028 1.00 0.32 N ATOM 463 CA GLU A 30 -3.641 -2.090 -0.528 1.00 0.39 C ATOM 464 C GLU A 30 -5.162 -2.104 -0.351 1.00 0.36 C ATOM 465 O GLU A 30 -5.671 -1.943 0.739 1.00 0.42 O ATOM 466 CB GLU A 30 -2.978 -3.162 0.341 1.00 0.52 C ATOM 467 CG GLU A 30 -3.609 -4.528 0.056 1.00 0.64 C ATOM 468 CD GLU A 30 -3.005 -5.572 0.997 1.00 0.89 C ATOM 469 OE1 GLU A 30 -1.931 -6.065 0.693 1.00 1.48 O ATOM 470 OE2 GLU A 30 -3.627 -5.862 2.006 1.00 1.60 O ATOM 0 H GLU A 30 -3.253 -0.609 0.960 1.00 0.32 H new ATOM 0 HA GLU A 30 -3.447 -2.252 -1.588 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -1.908 -3.197 0.138 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -3.094 -2.911 1.395 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -4.689 -4.478 0.195 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -3.434 -4.813 -0.982 1.00 0.64 H new ATOM 477 N PHE A 31 -5.892 -2.289 -1.416 1.00 0.35 N ATOM 478 CA PHE A 31 -7.377 -2.306 -1.308 1.00 0.36 C ATOM 479 C PHE A 31 -7.900 -3.744 -1.300 1.00 0.39 C ATOM 480 O PHE A 31 -7.779 -4.462 -2.274 1.00 0.49 O ATOM 481 CB PHE A 31 -7.864 -1.570 -2.554 1.00 0.41 C ATOM 482 CG PHE A 31 -7.552 -0.099 -2.426 1.00 0.38 C ATOM 483 CD1 PHE A 31 -8.396 0.730 -1.680 1.00 0.53 C ATOM 484 CD2 PHE A 31 -6.420 0.434 -3.053 1.00 0.45 C ATOM 485 CE1 PHE A 31 -8.108 2.096 -1.560 1.00 0.59 C ATOM 486 CE2 PHE A 31 -6.132 1.798 -2.933 1.00 0.52 C ATOM 487 CZ PHE A 31 -6.970 2.628 -2.190 1.00 0.53 C ATOM 0 H PHE A 31 -5.524 -2.429 -2.357 1.00 0.35 H new ATOM 0 HA PHE A 31 -7.728 -1.841 -0.387 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -7.382 -1.979 -3.442 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -8.937 -1.715 -2.679 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -9.269 0.317 -1.197 1.00 0.53 H new ATOM 0 HD2 PHE A 31 -5.769 -0.207 -3.629 1.00 0.45 H new ATOM 0 HE1 PHE A 31 -8.759 2.738 -0.985 1.00 0.59 H new ATOM 0 HE2 PHE A 31 -5.258 2.209 -3.417 1.00 0.52 H new ATOM 0 HZ PHE A 31 -6.745 3.680 -2.098 1.00 0.53 H new ATOM 497 N TYR A 32 -8.493 -4.166 -0.218 1.00 0.37 N ATOM 498 CA TYR A 32 -9.037 -5.554 -0.161 1.00 0.44 C ATOM 499 C TYR A 32 -10.160 -5.643 0.871 1.00 0.40 C ATOM 500 O TYR A 32 -10.674 -4.649 1.337 1.00 0.45 O ATOM 501 CB TYR A 32 -7.851 -6.453 0.233 1.00 0.54 C ATOM 502 CG TYR A 32 -7.520 -6.300 1.706 1.00 0.54 C ATOM 503 CD1 TYR A 32 -7.121 -5.053 2.203 1.00 0.58 C ATOM 504 CD2 TYR A 32 -7.602 -7.402 2.566 1.00 0.66 C ATOM 505 CE1 TYR A 32 -6.807 -4.907 3.559 1.00 0.67 C ATOM 506 CE2 TYR A 32 -7.285 -7.256 3.922 1.00 0.79 C ATOM 507 CZ TYR A 32 -6.931 -6.026 4.430 1.00 0.77 C ATOM 508 OH TYR A 32 -6.576 -5.864 5.755 1.00 0.94 O ATOM 0 H TYR A 32 -8.625 -3.612 0.628 1.00 0.37 H new ATOM 0 HA TYR A 32 -9.464 -5.862 -1.115 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -8.091 -7.494 0.017 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -6.979 -6.195 -0.368 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -7.056 -4.203 1.539 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -7.910 -8.364 2.184 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -6.473 -3.954 3.941 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -7.318 -8.115 4.575 1.00 0.79 H new ATOM 0 HH TYR A 32 -6.712 -6.707 6.235 1.00 0.94 H new ATOM 518 N ALA A 33 -10.531 -6.832 1.236 1.00 0.40 N ATOM 519 CA ALA A 33 -11.615 -6.988 2.248 1.00 0.44 C ATOM 520 C ALA A 33 -11.216 -8.038 3.291 1.00 0.53 C ATOM 521 O ALA A 33 -10.334 -8.838 3.052 1.00 0.56 O ATOM 522 CB ALA A 33 -12.837 -7.459 1.462 1.00 0.49 C ATOM 0 H ALA A 33 -10.135 -7.703 0.882 1.00 0.40 H new ATOM 0 HA ALA A 33 -11.811 -6.059 2.784 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -13.677 -7.596 2.143 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -13.096 -6.713 0.711 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.611 -8.405 0.970 1.00 0.49 H new ATOM 528 N PRO A 34 -11.886 -8.012 4.416 1.00 0.63 N ATOM 529 CA PRO A 34 -11.592 -8.992 5.490 1.00 0.78 C ATOM 530 C PRO A 34 -12.029 -10.400 5.061 1.00 0.82 C ATOM 531 O PRO A 34 -11.661 -11.385 5.670 1.00 0.96 O ATOM 532 CB PRO A 34 -12.419 -8.493 6.671 1.00 0.90 C ATOM 533 CG PRO A 34 -13.527 -7.700 6.053 1.00 0.81 C ATOM 534 CD PRO A 34 -12.974 -7.097 4.791 1.00 0.66 C ATOM 0 HA PRO A 34 -10.531 -9.065 5.728 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -12.808 -9.323 7.261 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -11.819 -7.878 7.342 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -14.384 -8.337 5.834 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -13.873 -6.923 6.734 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -13.733 -7.036 4.011 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -12.606 -6.085 4.958 1.00 0.66 H new ATOM 542 N TRP A 35 -12.807 -10.502 4.015 1.00 0.74 N ATOM 543 CA TRP A 35 -13.262 -11.846 3.545 1.00 0.83 C ATOM 544 C TRP A 35 -12.938 -12.028 2.058 1.00 0.78 C ATOM 545 O TRP A 35 -13.477 -12.895 1.400 1.00 0.92 O ATOM 546 CB TRP A 35 -14.780 -11.873 3.771 1.00 0.91 C ATOM 547 CG TRP A 35 -15.413 -10.647 3.187 1.00 0.87 C ATOM 548 CD1 TRP A 35 -15.404 -10.313 1.874 1.00 0.84 C ATOM 549 CD2 TRP A 35 -16.143 -9.590 3.873 1.00 1.25 C ATOM 550 NE1 TRP A 35 -16.084 -9.117 1.715 1.00 0.85 N ATOM 551 CE2 TRP A 35 -16.558 -8.633 2.918 1.00 1.19 C ATOM 552 CE3 TRP A 35 -16.483 -9.372 5.220 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -17.282 -7.501 3.284 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -17.211 -8.232 5.593 1.00 2.36 C ATOM 555 CH2 TRP A 35 -17.610 -7.298 4.626 1.00 2.26 C ATOM 0 H TRP A 35 -13.147 -9.713 3.465 1.00 0.74 H new ATOM 0 HA TRP A 35 -12.762 -12.652 4.082 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -15.207 -12.765 3.313 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -14.995 -11.929 4.838 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -14.943 -10.885 1.082 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -16.218 -8.650 0.818 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -16.182 -10.086 5.972 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -17.588 -6.785 2.535 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -17.465 -8.073 6.630 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -18.170 -6.423 4.919 1.00 2.26 H new ATOM 566 N CYS A 36 -12.059 -11.221 1.522 1.00 0.65 N ATOM 567 CA CYS A 36 -11.706 -11.359 0.079 1.00 0.67 C ATOM 568 C CYS A 36 -11.062 -12.723 -0.179 1.00 0.84 C ATOM 569 O CYS A 36 -11.143 -13.622 0.634 1.00 1.63 O ATOM 570 CB CYS A 36 -10.706 -10.234 -0.195 1.00 0.58 C ATOM 571 SG CYS A 36 -9.287 -10.402 0.916 1.00 1.07 S ATOM 0 H CYS A 36 -11.572 -10.475 2.020 1.00 0.65 H new ATOM 0 HA CYS A 36 -12.581 -11.293 -0.568 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -10.375 -10.272 -1.233 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -11.183 -9.265 -0.048 1.00 0.58 H new ATOM 576 N GLY A 37 -10.422 -12.883 -1.305 1.00 0.96 N ATOM 577 CA GLY A 37 -9.774 -14.189 -1.614 1.00 1.08 C ATOM 578 C GLY A 37 -8.356 -13.946 -2.133 1.00 1.00 C ATOM 579 O GLY A 37 -8.034 -12.877 -2.612 1.00 1.83 O ATOM 0 H GLY A 37 -10.320 -12.166 -2.024 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -9.744 -14.812 -0.720 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -10.358 -14.729 -2.359 1.00 1.08 H new ATOM 583 N HIS A 38 -7.504 -14.935 -2.043 1.00 0.89 N ATOM 584 CA HIS A 38 -6.099 -14.771 -2.532 1.00 0.97 C ATOM 585 C HIS A 38 -5.409 -13.607 -1.814 1.00 0.88 C ATOM 586 O HIS A 38 -4.403 -13.098 -2.264 1.00 1.13 O ATOM 587 CB HIS A 38 -6.227 -14.467 -4.024 1.00 1.32 C ATOM 588 CG HIS A 38 -5.253 -15.313 -4.797 1.00 1.72 C ATOM 589 ND1 HIS A 38 -3.898 -15.028 -4.838 1.00 2.39 N ATOM 590 CD2 HIS A 38 -5.424 -16.439 -5.562 1.00 2.35 C ATOM 591 CE1 HIS A 38 -3.310 -15.964 -5.604 1.00 2.85 C ATOM 592 NE2 HIS A 38 -4.195 -16.850 -6.071 1.00 2.87 N ATOM 0 H HIS A 38 -7.720 -15.852 -1.651 1.00 0.89 H new ATOM 0 HA HIS A 38 -5.499 -15.661 -2.342 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -7.244 -14.667 -4.360 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -6.032 -13.410 -4.208 1.00 1.32 H new ATOM 0 HD2 HIS A 38 -6.368 -16.932 -5.742 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -2.251 -15.996 -5.816 1.00 2.85 H new ATOM 0 HE2 HIS A 38 -4.010 -17.654 -6.671 1.00 2.87 H new ATOM 600 N CYS A 39 -5.938 -13.185 -0.701 1.00 0.79 N ATOM 601 CA CYS A 39 -5.307 -12.056 0.040 1.00 0.88 C ATOM 602 C CYS A 39 -4.230 -12.592 0.986 1.00 0.82 C ATOM 603 O CYS A 39 -3.292 -11.900 1.331 1.00 1.00 O ATOM 604 CB CYS A 39 -6.446 -11.411 0.833 1.00 1.08 C ATOM 605 SG CYS A 39 -7.762 -10.901 -0.301 1.00 1.00 S ATOM 0 H CYS A 39 -6.779 -13.571 -0.272 1.00 0.79 H new ATOM 0 HA CYS A 39 -4.824 -11.341 -0.626 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -6.837 -12.116 1.566 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -6.075 -10.549 1.387 1.00 1.08 H new ATOM 610 N LYS A 40 -4.355 -13.822 1.402 1.00 0.78 N ATOM 611 CA LYS A 40 -3.336 -14.405 2.321 1.00 0.94 C ATOM 612 C LYS A 40 -2.054 -14.737 1.550 1.00 0.84 C ATOM 613 O LYS A 40 -1.002 -14.924 2.128 1.00 0.94 O ATOM 614 CB LYS A 40 -3.981 -15.680 2.868 1.00 1.21 C ATOM 615 CG LYS A 40 -5.226 -15.315 3.679 1.00 1.56 C ATOM 616 CD LYS A 40 -6.477 -15.805 2.944 1.00 2.11 C ATOM 617 CE LYS A 40 -7.047 -17.029 3.665 1.00 2.72 C ATOM 618 NZ LYS A 40 -8.505 -17.013 3.358 1.00 3.29 N ATOM 0 H LYS A 40 -5.118 -14.449 1.146 1.00 0.78 H new ATOM 0 HA LYS A 40 -3.055 -13.716 3.118 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -4.251 -16.345 2.047 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -3.271 -16.219 3.495 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -5.173 -15.767 4.670 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -5.275 -14.236 3.823 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -7.224 -15.012 2.906 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -6.230 -16.059 1.913 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -6.579 -17.948 3.312 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -6.869 -16.973 4.739 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -8.966 -17.824 3.819 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -8.925 -16.130 3.712 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -8.644 -17.075 2.329 1.00 3.29 H new ATOM 632 N ALA A 41 -2.133 -14.815 0.247 1.00 0.77 N ATOM 633 CA ALA A 41 -0.919 -15.137 -0.558 1.00 0.86 C ATOM 634 C ALA A 41 0.191 -14.119 -0.279 1.00 0.75 C ATOM 635 O ALA A 41 1.362 -14.436 -0.333 1.00 0.90 O ATOM 636 CB ALA A 41 -1.375 -15.048 -2.013 1.00 0.93 C ATOM 0 H ALA A 41 -2.986 -14.670 -0.294 1.00 0.77 H new ATOM 0 HA ALA A 41 -0.513 -16.119 -0.316 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -0.536 -15.272 -2.672 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -2.176 -15.766 -2.188 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -1.739 -14.042 -2.219 1.00 0.93 H new ATOM 642 N LEU A 42 -0.167 -12.899 0.016 1.00 0.65 N ATOM 643 CA LEU A 42 0.873 -11.866 0.295 1.00 0.67 C ATOM 644 C LEU A 42 0.555 -11.126 1.597 1.00 0.63 C ATOM 645 O LEU A 42 0.894 -9.972 1.766 1.00 0.70 O ATOM 646 CB LEU A 42 0.812 -10.908 -0.894 1.00 0.82 C ATOM 647 CG LEU A 42 2.234 -10.528 -1.311 1.00 0.86 C ATOM 648 CD1 LEU A 42 2.931 -11.745 -1.922 1.00 1.24 C ATOM 649 CD2 LEU A 42 2.178 -9.400 -2.343 1.00 1.37 C ATOM 0 H LEU A 42 -1.132 -12.573 0.076 1.00 0.65 H new ATOM 0 HA LEU A 42 1.864 -12.304 0.415 1.00 0.67 H new ATOM 0 HB2 LEU A 42 0.290 -11.378 -1.728 1.00 0.82 H new ATOM 0 HB3 LEU A 42 0.248 -10.014 -0.627 1.00 0.82 H new ATOM 0 HG LEU A 42 2.791 -10.193 -0.436 1.00 0.86 H new ATOM 0 HD11 LEU A 42 3.944 -11.473 -2.219 1.00 1.24 H new ATOM 0 HD12 LEU A 42 2.972 -12.548 -1.186 1.00 1.24 H new ATOM 0 HD13 LEU A 42 2.375 -12.082 -2.797 1.00 1.24 H new ATOM 0 HD21 LEU A 42 3.191 -9.129 -2.641 1.00 1.37 H new ATOM 0 HD22 LEU A 42 1.620 -9.734 -3.218 1.00 1.37 H new ATOM 0 HD23 LEU A 42 1.683 -8.532 -1.907 1.00 1.37 H new ATOM 661 N ALA A 43 -0.093 -11.783 2.519 1.00 0.71 N ATOM 662 CA ALA A 43 -0.430 -11.119 3.810 1.00 0.73 C ATOM 663 C ALA A 43 0.832 -10.973 4.673 1.00 0.67 C ATOM 664 O ALA A 43 1.191 -9.875 5.052 1.00 0.65 O ATOM 665 CB ALA A 43 -1.441 -12.048 4.485 1.00 0.88 C ATOM 0 H ALA A 43 -0.404 -12.751 2.434 1.00 0.71 H new ATOM 0 HA ALA A 43 -0.835 -10.117 3.667 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -1.738 -11.626 5.445 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -2.319 -12.155 3.848 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -0.987 -13.026 4.644 1.00 0.88 H new ATOM 671 N PRO A 44 1.470 -12.084 4.957 1.00 0.69 N ATOM 672 CA PRO A 44 2.702 -12.055 5.784 1.00 0.70 C ATOM 673 C PRO A 44 3.882 -11.484 4.986 1.00 0.59 C ATOM 674 O PRO A 44 4.957 -11.283 5.515 1.00 0.65 O ATOM 675 CB PRO A 44 2.940 -13.521 6.130 1.00 0.83 C ATOM 676 CG PRO A 44 2.266 -14.292 5.039 1.00 0.84 C ATOM 677 CD PRO A 44 1.116 -13.453 4.546 1.00 0.76 C ATOM 0 HA PRO A 44 2.604 -11.423 6.667 1.00 0.70 H new ATOM 0 HB2 PRO A 44 4.005 -13.748 6.173 1.00 0.83 H new ATOM 0 HB3 PRO A 44 2.521 -13.769 7.105 1.00 0.83 H new ATOM 0 HG2 PRO A 44 2.964 -14.502 4.229 1.00 0.84 H new ATOM 0 HG3 PRO A 44 1.910 -15.253 5.410 1.00 0.84 H new ATOM 0 HD2 PRO A 44 1.002 -13.528 3.465 1.00 0.76 H new ATOM 0 HD3 PRO A 44 0.172 -13.771 4.988 1.00 0.76 H new ATOM 685 N GLU A 45 3.692 -11.208 3.723 1.00 0.53 N ATOM 686 CA GLU A 45 4.800 -10.639 2.909 1.00 0.46 C ATOM 687 C GLU A 45 4.668 -9.120 2.900 1.00 0.41 C ATOM 688 O GLU A 45 5.631 -8.393 3.030 1.00 0.47 O ATOM 689 CB GLU A 45 4.588 -11.214 1.510 1.00 0.48 C ATOM 690 CG GLU A 45 4.845 -12.720 1.537 1.00 0.61 C ATOM 691 CD GLU A 45 3.513 -13.464 1.656 1.00 1.12 C ATOM 692 OE1 GLU A 45 2.511 -12.917 1.227 1.00 1.83 O ATOM 693 OE2 GLU A 45 3.519 -14.569 2.172 1.00 1.90 O ATOM 0 H GLU A 45 2.816 -11.353 3.222 1.00 0.53 H new ATOM 0 HA GLU A 45 5.791 -10.882 3.292 1.00 0.46 H new ATOM 0 HB2 GLU A 45 3.571 -11.013 1.172 1.00 0.48 H new ATOM 0 HB3 GLU A 45 5.260 -10.732 0.801 1.00 0.48 H new ATOM 0 HG2 GLU A 45 5.365 -13.027 0.630 1.00 0.61 H new ATOM 0 HG3 GLU A 45 5.492 -12.974 2.377 1.00 0.61 H new ATOM 700 N TYR A 46 3.464 -8.645 2.768 1.00 0.43 N ATOM 701 CA TYR A 46 3.228 -7.179 2.769 1.00 0.48 C ATOM 702 C TYR A 46 3.414 -6.641 4.201 1.00 0.52 C ATOM 703 O TYR A 46 3.666 -5.470 4.404 1.00 0.69 O ATOM 704 CB TYR A 46 1.777 -7.044 2.258 1.00 0.64 C ATOM 705 CG TYR A 46 1.076 -5.848 2.865 1.00 0.72 C ATOM 706 CD1 TYR A 46 0.368 -5.978 4.066 1.00 1.03 C ATOM 707 CD2 TYR A 46 1.139 -4.608 2.219 1.00 1.02 C ATOM 708 CE1 TYR A 46 -0.278 -4.868 4.620 1.00 1.39 C ATOM 709 CE2 TYR A 46 0.494 -3.497 2.773 1.00 1.38 C ATOM 710 CZ TYR A 46 -0.222 -3.646 4.002 1.00 1.50 C ATOM 711 OH TYR A 46 -0.851 -2.534 4.521 1.00 1.95 O ATOM 0 H TYR A 46 2.626 -9.216 2.658 1.00 0.43 H new ATOM 0 HA TYR A 46 3.915 -6.606 2.147 1.00 0.48 H new ATOM 0 HB2 TYR A 46 1.781 -6.950 1.172 1.00 0.64 H new ATOM 0 HB3 TYR A 46 1.222 -7.951 2.497 1.00 0.64 H new ATOM 0 HD1 TYR A 46 0.321 -6.935 4.564 1.00 1.03 H new ATOM 0 HD2 TYR A 46 1.686 -4.509 1.293 1.00 1.02 H new ATOM 0 HE1 TYR A 46 -0.827 -4.975 5.544 1.00 1.39 H new ATOM 0 HE2 TYR A 46 0.536 -2.538 2.278 1.00 1.38 H new ATOM 0 HH TYR A 46 -0.202 -1.806 4.616 1.00 1.95 H new ATOM 721 N ALA A 47 3.295 -7.490 5.188 1.00 0.53 N ATOM 722 CA ALA A 47 3.467 -7.024 6.594 1.00 0.62 C ATOM 723 C ALA A 47 4.949 -7.059 6.985 1.00 0.58 C ATOM 724 O ALA A 47 5.372 -6.393 7.908 1.00 0.68 O ATOM 725 CB ALA A 47 2.668 -8.015 7.440 1.00 0.73 C ATOM 0 H ALA A 47 3.087 -8.483 5.081 1.00 0.53 H new ATOM 0 HA ALA A 47 3.125 -5.999 6.734 1.00 0.62 H new ATOM 0 HB1 ALA A 47 2.745 -7.740 8.492 1.00 0.73 H new ATOM 0 HB2 ALA A 47 1.622 -7.994 7.134 1.00 0.73 H new ATOM 0 HB3 ALA A 47 3.067 -9.019 7.298 1.00 0.73 H new ATOM 731 N LYS A 48 5.739 -7.828 6.287 1.00 0.51 N ATOM 732 CA LYS A 48 7.191 -7.902 6.618 1.00 0.55 C ATOM 733 C LYS A 48 7.940 -6.742 5.959 1.00 0.53 C ATOM 734 O LYS A 48 8.924 -6.251 6.475 1.00 0.65 O ATOM 735 CB LYS A 48 7.659 -9.241 6.044 1.00 0.60 C ATOM 736 CG LYS A 48 8.261 -10.093 7.162 1.00 1.03 C ATOM 737 CD LYS A 48 7.197 -11.051 7.702 1.00 1.41 C ATOM 738 CE LYS A 48 7.583 -11.497 9.113 1.00 1.92 C ATOM 739 NZ LYS A 48 8.172 -12.854 8.939 1.00 2.47 N ATOM 0 H LYS A 48 5.442 -8.408 5.502 1.00 0.51 H new ATOM 0 HA LYS A 48 7.377 -7.832 7.690 1.00 0.55 H new ATOM 0 HB2 LYS A 48 6.821 -9.765 5.585 1.00 0.60 H new ATOM 0 HB3 LYS A 48 8.399 -9.074 5.261 1.00 0.60 H new ATOM 0 HG2 LYS A 48 9.115 -10.656 6.785 1.00 1.03 H new ATOM 0 HG3 LYS A 48 8.630 -9.453 7.963 1.00 1.03 H new ATOM 0 HD2 LYS A 48 6.224 -10.560 7.718 1.00 1.41 H new ATOM 0 HD3 LYS A 48 7.106 -11.918 7.047 1.00 1.41 H new ATOM 0 HE2 LYS A 48 8.300 -10.810 9.562 1.00 1.92 H new ATOM 0 HE3 LYS A 48 6.714 -11.525 9.770 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 8.462 -13.228 9.865 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 7.464 -13.488 8.516 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 9.001 -12.795 8.314 1.00 2.47 H new ATOM 753 N ALA A 49 7.481 -6.302 4.819 1.00 0.47 N ATOM 754 CA ALA A 49 8.164 -5.173 4.124 1.00 0.50 C ATOM 755 C ALA A 49 8.184 -3.934 5.023 1.00 0.53 C ATOM 756 O ALA A 49 9.078 -3.115 4.951 1.00 0.65 O ATOM 757 CB ALA A 49 7.328 -4.914 2.872 1.00 0.55 C ATOM 0 H ALA A 49 6.662 -6.675 4.339 1.00 0.47 H new ATOM 0 HA ALA A 49 9.201 -5.405 3.880 1.00 0.50 H new ATOM 0 HB1 ALA A 49 7.767 -4.094 2.304 1.00 0.55 H new ATOM 0 HB2 ALA A 49 7.309 -5.812 2.255 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.311 -4.651 3.162 1.00 0.55 H new ATOM 763 N ALA A 50 7.203 -3.793 5.871 1.00 0.54 N ATOM 764 CA ALA A 50 7.165 -2.608 6.775 1.00 0.65 C ATOM 765 C ALA A 50 8.238 -2.738 7.858 1.00 0.65 C ATOM 766 O ALA A 50 8.697 -1.760 8.413 1.00 0.77 O ATOM 767 CB ALA A 50 5.768 -2.625 7.395 1.00 0.76 C ATOM 0 H ALA A 50 6.427 -4.446 5.977 1.00 0.54 H new ATOM 0 HA ALA A 50 7.361 -1.676 6.245 1.00 0.65 H new ATOM 0 HB1 ALA A 50 5.662 -1.780 8.075 1.00 0.76 H new ATOM 0 HB2 ALA A 50 5.019 -2.552 6.606 1.00 0.76 H new ATOM 0 HB3 ALA A 50 5.626 -3.555 7.946 1.00 0.76 H new ATOM 773 N GLY A 51 8.644 -3.942 8.160 1.00 0.59 N ATOM 774 CA GLY A 51 9.690 -4.134 9.203 1.00 0.69 C ATOM 775 C GLY A 51 11.044 -3.689 8.648 1.00 0.78 C ATOM 776 O GLY A 51 11.923 -3.283 9.381 1.00 0.90 O ATOM 0 H GLY A 51 8.297 -4.799 7.730 1.00 0.59 H new ATOM 0 HA2 GLY A 51 9.442 -3.557 10.094 1.00 0.69 H new ATOM 0 HA3 GLY A 51 9.733 -5.181 9.503 1.00 0.69 H new ATOM 780 N LYS A 52 11.216 -3.758 7.356 1.00 0.80 N ATOM 781 CA LYS A 52 12.511 -3.333 6.755 1.00 1.01 C ATOM 782 C LYS A 52 12.778 -1.866 7.092 1.00 1.12 C ATOM 783 O LYS A 52 13.844 -1.507 7.550 1.00 1.31 O ATOM 784 CB LYS A 52 12.330 -3.516 5.247 1.00 1.15 C ATOM 785 CG LYS A 52 12.396 -5.005 4.901 1.00 1.49 C ATOM 786 CD LYS A 52 13.742 -5.316 4.243 1.00 1.97 C ATOM 787 CE LYS A 52 13.990 -6.826 4.272 1.00 2.64 C ATOM 788 NZ LYS A 52 13.102 -7.381 3.213 1.00 3.08 N ATOM 0 H LYS A 52 10.517 -4.090 6.692 1.00 0.80 H new ATOM 0 HA LYS A 52 13.356 -3.910 7.131 1.00 1.01 H new ATOM 0 HB2 LYS A 52 11.373 -3.101 4.932 1.00 1.15 H new ATOM 0 HB3 LYS A 52 13.106 -2.972 4.708 1.00 1.15 H new ATOM 0 HG2 LYS A 52 12.273 -5.605 5.803 1.00 1.49 H new ATOM 0 HG3 LYS A 52 11.580 -5.270 4.228 1.00 1.49 H new ATOM 0 HD2 LYS A 52 13.747 -4.956 3.214 1.00 1.97 H new ATOM 0 HD3 LYS A 52 14.544 -4.795 4.767 1.00 1.97 H new ATOM 0 HE2 LYS A 52 15.036 -7.058 4.072 1.00 2.64 H new ATOM 0 HE3 LYS A 52 13.751 -7.247 5.249 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 12.466 -8.091 3.630 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 12.538 -6.613 2.796 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 13.681 -7.827 2.473 1.00 3.08 H new ATOM 802 N LEU A 53 11.811 -1.018 6.877 1.00 1.12 N ATOM 803 CA LEU A 53 12.000 0.423 7.196 1.00 1.33 C ATOM 804 C LEU A 53 12.398 0.572 8.670 1.00 1.30 C ATOM 805 O LEU A 53 13.414 1.149 8.996 1.00 1.50 O ATOM 806 CB LEU A 53 10.630 1.063 6.913 1.00 1.55 C ATOM 807 CG LEU A 53 10.535 2.445 7.572 1.00 1.47 C ATOM 808 CD1 LEU A 53 9.963 3.452 6.573 1.00 1.82 C ATOM 809 CD2 LEU A 53 9.617 2.360 8.792 1.00 2.07 C ATOM 0 H LEU A 53 10.898 -1.262 6.494 1.00 1.12 H new ATOM 0 HA LEU A 53 12.788 0.897 6.611 1.00 1.33 H new ATOM 0 HB2 LEU A 53 10.481 1.156 5.837 1.00 1.55 H new ATOM 0 HB3 LEU A 53 9.836 0.418 7.290 1.00 1.55 H new ATOM 0 HG LEU A 53 11.528 2.770 7.882 1.00 1.47 H new ATOM 0 HD11 LEU A 53 9.896 4.433 7.043 1.00 1.82 H new ATOM 0 HD12 LEU A 53 10.615 3.511 5.702 1.00 1.82 H new ATOM 0 HD13 LEU A 53 8.969 3.131 6.261 1.00 1.82 H new ATOM 0 HD21 LEU A 53 9.547 3.340 9.263 1.00 2.07 H new ATOM 0 HD22 LEU A 53 8.625 2.036 8.479 1.00 2.07 H new ATOM 0 HD23 LEU A 53 10.025 1.643 9.505 1.00 2.07 H new ATOM 821 N LYS A 54 11.596 0.052 9.554 1.00 1.20 N ATOM 822 CA LYS A 54 11.907 0.153 11.013 1.00 1.35 C ATOM 823 C LYS A 54 13.366 -0.231 11.291 1.00 1.40 C ATOM 824 O LYS A 54 13.951 0.190 12.270 1.00 1.67 O ATOM 825 CB LYS A 54 10.957 -0.839 11.684 1.00 1.46 C ATOM 826 CG LYS A 54 10.323 -0.187 12.916 1.00 1.91 C ATOM 827 CD LYS A 54 8.859 -0.616 13.027 1.00 2.50 C ATOM 828 CE LYS A 54 8.777 -1.986 13.703 1.00 2.87 C ATOM 829 NZ LYS A 54 7.597 -1.898 14.608 1.00 3.88 N ATOM 0 H LYS A 54 10.732 -0.442 9.331 1.00 1.20 H new ATOM 0 HA LYS A 54 11.779 1.169 11.387 1.00 1.35 H new ATOM 0 HB2 LYS A 54 10.181 -1.147 10.983 1.00 1.46 H new ATOM 0 HB3 LYS A 54 11.500 -1.739 11.974 1.00 1.46 H new ATOM 0 HG2 LYS A 54 10.867 -0.478 13.815 1.00 1.91 H new ATOM 0 HG3 LYS A 54 10.390 0.898 12.841 1.00 1.91 H new ATOM 0 HD2 LYS A 54 8.296 0.119 13.602 1.00 2.50 H new ATOM 0 HD3 LYS A 54 8.406 -0.660 12.037 1.00 2.50 H new ATOM 0 HE2 LYS A 54 8.653 -2.782 12.969 1.00 2.87 H new ATOM 0 HE3 LYS A 54 9.687 -2.206 14.261 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 7.475 -2.802 15.108 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 7.746 -1.136 15.300 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 6.745 -1.694 14.048 1.00 3.88 H new ATOM 843 N ALA A 55 13.957 -1.031 10.445 1.00 1.63 N ATOM 844 CA ALA A 55 15.373 -1.442 10.673 1.00 2.20 C ATOM 845 C ALA A 55 16.340 -0.352 10.194 1.00 2.03 C ATOM 846 O ALA A 55 17.509 -0.363 10.526 1.00 2.38 O ATOM 847 CB ALA A 55 15.553 -2.717 9.848 1.00 2.78 C ATOM 0 H ALA A 55 13.522 -1.417 9.607 1.00 1.63 H new ATOM 0 HA ALA A 55 15.584 -1.602 11.730 1.00 2.20 H new ATOM 0 HB1 ALA A 55 16.573 -3.084 9.963 1.00 2.78 H new ATOM 0 HB2 ALA A 55 14.853 -3.477 10.195 1.00 2.78 H new ATOM 0 HB3 ALA A 55 15.362 -2.500 8.797 1.00 2.78 H new ATOM 853 N GLU A 56 15.871 0.586 9.414 1.00 1.67 N ATOM 854 CA GLU A 56 16.783 1.663 8.924 1.00 1.70 C ATOM 855 C GLU A 56 16.080 3.026 8.928 1.00 1.53 C ATOM 856 O GLU A 56 16.599 3.997 8.416 1.00 1.98 O ATOM 857 CB GLU A 56 17.146 1.253 7.496 1.00 1.99 C ATOM 858 CG GLU A 56 15.868 1.087 6.671 1.00 2.69 C ATOM 859 CD GLU A 56 16.218 0.520 5.293 1.00 3.21 C ATOM 860 OE1 GLU A 56 16.809 1.244 4.507 1.00 3.63 O ATOM 861 OE2 GLU A 56 15.890 -0.630 5.046 1.00 3.64 O ATOM 0 H GLU A 56 14.904 0.654 9.097 1.00 1.67 H new ATOM 0 HA GLU A 56 17.661 1.769 9.561 1.00 1.70 H new ATOM 0 HB2 GLU A 56 17.789 2.007 7.042 1.00 1.99 H new ATOM 0 HB3 GLU A 56 17.708 0.319 7.506 1.00 1.99 H new ATOM 0 HG2 GLU A 56 15.175 0.420 7.185 1.00 2.69 H new ATOM 0 HG3 GLU A 56 15.365 2.048 6.563 1.00 2.69 H new ATOM 868 N GLY A 57 14.909 3.114 9.501 1.00 1.58 N ATOM 869 CA GLY A 57 14.188 4.420 9.533 1.00 2.25 C ATOM 870 C GLY A 57 14.094 4.993 8.115 1.00 1.97 C ATOM 871 O GLY A 57 14.409 6.141 7.876 1.00 2.50 O ATOM 0 H GLY A 57 14.421 2.338 9.948 1.00 1.58 H new ATOM 0 HA2 GLY A 57 13.189 4.285 9.948 1.00 2.25 H new ATOM 0 HA3 GLY A 57 14.712 5.120 10.184 1.00 2.25 H new ATOM 875 N SER A 58 13.662 4.200 7.173 1.00 1.30 N ATOM 876 CA SER A 58 13.547 4.696 5.775 1.00 1.23 C ATOM 877 C SER A 58 12.377 5.666 5.650 1.00 1.03 C ATOM 878 O SER A 58 11.755 6.048 6.622 1.00 1.27 O ATOM 879 CB SER A 58 13.292 3.445 4.934 1.00 1.53 C ATOM 880 OG SER A 58 13.213 3.805 3.563 1.00 2.13 O ATOM 0 H SER A 58 13.384 3.229 7.313 1.00 1.30 H new ATOM 0 HA SER A 58 14.440 5.233 5.455 1.00 1.23 H new ATOM 0 HB2 SER A 58 14.094 2.722 5.086 1.00 1.53 H new ATOM 0 HB3 SER A 58 12.366 2.965 5.249 1.00 1.53 H new ATOM 0 HG SER A 58 13.526 3.059 3.010 1.00 2.13 H new ATOM 886 N GLU A 59 12.071 6.049 4.451 1.00 0.85 N ATOM 887 CA GLU A 59 10.937 6.979 4.217 1.00 0.87 C ATOM 888 C GLU A 59 9.806 6.227 3.512 1.00 0.76 C ATOM 889 O GLU A 59 8.700 6.715 3.388 1.00 1.06 O ATOM 890 CB GLU A 59 11.504 8.070 3.310 1.00 1.10 C ATOM 891 CG GLU A 59 12.110 7.435 2.054 1.00 1.05 C ATOM 892 CD GLU A 59 12.305 8.507 0.981 1.00 1.58 C ATOM 893 OE1 GLU A 59 11.477 9.399 0.904 1.00 2.22 O ATOM 894 OE2 GLU A 59 13.279 8.416 0.252 1.00 2.13 O ATOM 0 H GLU A 59 12.564 5.754 3.608 1.00 0.85 H new ATOM 0 HA GLU A 59 10.530 7.394 5.139 1.00 0.87 H new ATOM 0 HB2 GLU A 59 10.716 8.770 3.031 1.00 1.10 H new ATOM 0 HB3 GLU A 59 12.264 8.641 3.843 1.00 1.10 H new ATOM 0 HG2 GLU A 59 13.065 6.969 2.295 1.00 1.05 H new ATOM 0 HG3 GLU A 59 11.456 6.647 1.681 1.00 1.05 H new ATOM 901 N ILE A 60 10.085 5.039 3.045 1.00 0.59 N ATOM 902 CA ILE A 60 9.049 4.239 2.345 1.00 0.57 C ATOM 903 C ILE A 60 8.010 3.722 3.342 1.00 0.52 C ATOM 904 O ILE A 60 8.345 3.171 4.372 1.00 0.63 O ATOM 905 CB ILE A 60 9.827 3.082 1.726 1.00 0.68 C ATOM 906 CG1 ILE A 60 10.546 2.298 2.830 1.00 1.46 C ATOM 907 CG2 ILE A 60 10.859 3.630 0.740 1.00 1.34 C ATOM 908 CD1 ILE A 60 9.776 1.014 3.128 1.00 1.60 C ATOM 0 H ILE A 60 10.997 4.588 3.122 1.00 0.59 H new ATOM 0 HA ILE A 60 8.501 4.817 1.601 1.00 0.57 H new ATOM 0 HB ILE A 60 9.136 2.422 1.202 1.00 0.68 H new ATOM 0 HG12 ILE A 60 11.563 2.060 2.518 1.00 1.46 H new ATOM 0 HG13 ILE A 60 10.623 2.906 3.731 1.00 1.46 H new ATOM 0 HG21 ILE A 60 11.415 2.803 0.298 1.00 1.34 H new ATOM 0 HG22 ILE A 60 10.350 4.187 -0.047 1.00 1.34 H new ATOM 0 HG23 ILE A 60 11.549 4.291 1.265 1.00 1.34 H new ATOM 0 HD11 ILE A 60 10.287 0.457 3.913 1.00 1.60 H new ATOM 0 HD12 ILE A 60 8.767 1.263 3.458 1.00 1.60 H new ATOM 0 HD13 ILE A 60 9.723 0.404 2.226 1.00 1.60 H new ATOM 920 N ARG A 61 6.751 3.895 3.045 1.00 0.45 N ATOM 921 CA ARG A 61 5.693 3.411 3.977 1.00 0.45 C ATOM 922 C ARG A 61 4.573 2.721 3.194 1.00 0.41 C ATOM 923 O ARG A 61 4.339 3.012 2.038 1.00 0.55 O ATOM 924 CB ARG A 61 5.166 4.670 4.666 1.00 0.51 C ATOM 925 CG ARG A 61 5.707 4.734 6.095 1.00 0.75 C ATOM 926 CD ARG A 61 5.028 5.880 6.848 1.00 0.97 C ATOM 927 NE ARG A 61 4.685 5.315 8.182 1.00 1.30 N ATOM 928 CZ ARG A 61 4.953 5.990 9.265 1.00 1.66 C ATOM 929 NH1 ARG A 61 4.069 6.819 9.751 1.00 2.21 N ATOM 930 NH2 ARG A 61 6.103 5.839 9.863 1.00 2.19 N ATOM 0 H ARG A 61 6.409 4.350 2.198 1.00 0.45 H new ATOM 0 HA ARG A 61 6.075 2.683 4.693 1.00 0.45 H new ATOM 0 HB2 ARG A 61 5.471 5.556 4.110 1.00 0.51 H new ATOM 0 HB3 ARG A 61 4.076 4.661 4.678 1.00 0.51 H new ATOM 0 HG2 ARG A 61 5.524 3.789 6.607 1.00 0.75 H new ATOM 0 HG3 ARG A 61 6.787 4.884 6.080 1.00 0.75 H new ATOM 0 HD2 ARG A 61 5.693 6.739 6.942 1.00 0.97 H new ATOM 0 HD3 ARG A 61 4.136 6.223 6.324 1.00 0.97 H new ATOM 0 HE ARG A 61 4.240 4.400 8.249 1.00 1.30 H new ATOM 0 HH11 ARG A 61 3.170 6.938 9.284 1.00 2.21 H new ATOM 0 HH12 ARG A 61 4.277 7.348 10.598 1.00 2.21 H new ATOM 0 HH21 ARG A 61 6.794 5.192 9.483 1.00 2.19 H new ATOM 0 HH22 ARG A 61 6.311 6.368 10.710 1.00 2.19 H new ATOM 944 N LEU A 62 3.878 1.810 3.817 1.00 0.35 N ATOM 945 CA LEU A 62 2.771 1.102 3.112 1.00 0.36 C ATOM 946 C LEU A 62 1.511 1.097 3.978 1.00 0.32 C ATOM 947 O LEU A 62 1.529 1.516 5.119 1.00 0.38 O ATOM 948 CB LEU A 62 3.282 -0.323 2.890 1.00 0.48 C ATOM 949 CG LEU A 62 3.731 -0.925 4.223 1.00 0.73 C ATOM 950 CD1 LEU A 62 3.584 -2.446 4.171 1.00 1.22 C ATOM 951 CD2 LEU A 62 5.195 -0.563 4.478 1.00 1.59 C ATOM 0 H LEU A 62 4.028 1.525 4.785 1.00 0.35 H new ATOM 0 HA LEU A 62 2.506 1.586 2.172 1.00 0.36 H new ATOM 0 HB2 LEU A 62 2.496 -0.937 2.449 1.00 0.48 H new ATOM 0 HB3 LEU A 62 4.113 -0.316 2.185 1.00 0.48 H new ATOM 0 HG LEU A 62 3.113 -0.528 5.028 1.00 0.73 H new ATOM 0 HD11 LEU A 62 3.904 -2.875 5.121 1.00 1.22 H new ATOM 0 HD12 LEU A 62 2.541 -2.705 3.989 1.00 1.22 H new ATOM 0 HD13 LEU A 62 4.202 -2.844 3.366 1.00 1.22 H new ATOM 0 HD21 LEU A 62 5.516 -0.992 5.428 1.00 1.59 H new ATOM 0 HD22 LEU A 62 5.814 -0.960 3.673 1.00 1.59 H new ATOM 0 HD23 LEU A 62 5.301 0.521 4.515 1.00 1.59 H new ATOM 963 N ALA A 63 0.418 0.628 3.446 1.00 0.30 N ATOM 964 CA ALA A 63 -0.841 0.603 4.243 1.00 0.32 C ATOM 965 C ALA A 63 -1.879 -0.301 3.574 1.00 0.31 C ATOM 966 O ALA A 63 -1.625 -0.904 2.550 1.00 0.37 O ATOM 967 CB ALA A 63 -1.326 2.052 4.264 1.00 0.37 C ATOM 0 H ALA A 63 0.341 0.262 2.497 1.00 0.30 H new ATOM 0 HA ALA A 63 -0.683 0.211 5.248 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.253 2.117 4.834 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.568 2.683 4.729 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.503 2.391 3.243 1.00 0.37 H new ATOM 973 N LYS A 64 -3.046 -0.402 4.148 1.00 0.30 N ATOM 974 CA LYS A 64 -4.099 -1.270 3.548 1.00 0.32 C ATOM 975 C LYS A 64 -5.483 -0.649 3.763 1.00 0.32 C ATOM 976 O LYS A 64 -5.679 0.160 4.648 1.00 0.40 O ATOM 977 CB LYS A 64 -3.981 -2.598 4.295 1.00 0.38 C ATOM 978 CG LYS A 64 -4.176 -2.360 5.795 1.00 1.39 C ATOM 979 CD LYS A 64 -4.827 -3.590 6.429 1.00 1.60 C ATOM 980 CE LYS A 64 -3.776 -4.377 7.216 1.00 2.04 C ATOM 981 NZ LYS A 64 -3.223 -5.354 6.238 1.00 2.26 N ATOM 0 H LYS A 64 -3.316 0.079 5.006 1.00 0.30 H new ATOM 0 HA LYS A 64 -3.974 -1.394 2.472 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -4.728 -3.302 3.928 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -3.004 -3.045 4.111 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -3.215 -2.159 6.270 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -4.801 -1.482 5.956 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -5.638 -3.285 7.090 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -5.266 -4.221 5.656 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -2.997 -3.720 7.603 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -4.220 -4.883 8.073 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -2.506 -5.945 6.705 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -3.990 -5.958 5.880 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -2.786 -4.842 5.445 1.00 2.26 H new ATOM 995 N VAL A 65 -6.441 -1.016 2.956 1.00 0.30 N ATOM 996 CA VAL A 65 -7.809 -0.440 3.114 1.00 0.32 C ATOM 997 C VAL A 65 -8.870 -1.539 3.025 1.00 0.31 C ATOM 998 O VAL A 65 -8.607 -2.641 2.586 1.00 0.36 O ATOM 999 CB VAL A 65 -7.965 0.536 1.948 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -9.380 1.127 1.960 1.00 0.45 C ATOM 1001 CG2 VAL A 65 -6.938 1.659 2.084 1.00 0.70 C ATOM 0 H VAL A 65 -6.337 -1.688 2.196 1.00 0.30 H new ATOM 0 HA VAL A 65 -7.935 0.046 4.081 1.00 0.32 H new ATOM 0 HB VAL A 65 -7.803 0.009 1.008 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -9.491 1.823 1.128 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -10.111 0.324 1.861 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -9.546 1.655 2.899 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -7.048 2.356 1.253 1.00 0.70 H new ATOM 0 HG22 VAL A 65 -7.099 2.187 3.024 1.00 0.70 H new ATOM 0 HG23 VAL A 65 -5.933 1.237 2.072 1.00 0.70 H new ATOM 1011 N ASP A 66 -10.073 -1.235 3.427 1.00 0.35 N ATOM 1012 CA ASP A 66 -11.165 -2.246 3.358 1.00 0.39 C ATOM 1013 C ASP A 66 -12.108 -1.911 2.199 1.00 0.40 C ATOM 1014 O ASP A 66 -13.051 -1.159 2.351 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.895 -2.138 4.697 1.00 0.47 C ATOM 1016 CG ASP A 66 -10.914 -2.420 5.835 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -10.091 -3.308 5.675 1.00 1.30 O ATOM 1018 OD2 ASP A 66 -10.999 -1.743 6.846 1.00 1.38 O ATOM 0 H ASP A 66 -10.348 -0.327 3.802 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.790 -3.255 3.186 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -12.324 -1.142 4.810 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.722 -2.847 4.731 1.00 0.47 H new ATOM 1023 N ALA A 67 -11.858 -2.459 1.042 1.00 0.40 N ATOM 1024 CA ALA A 67 -12.735 -2.172 -0.131 1.00 0.46 C ATOM 1025 C ALA A 67 -14.197 -2.442 0.225 1.00 0.51 C ATOM 1026 O ALA A 67 -15.104 -1.896 -0.373 1.00 0.57 O ATOM 1027 CB ALA A 67 -12.262 -3.132 -1.222 1.00 0.51 C ATOM 0 H ALA A 67 -11.082 -3.095 0.857 1.00 0.40 H new ATOM 0 HA ALA A 67 -12.673 -1.131 -0.449 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -12.859 -2.983 -2.121 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -11.213 -2.939 -1.447 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -12.376 -4.160 -0.877 1.00 0.51 H new ATOM 1033 N THR A 68 -14.432 -3.273 1.201 1.00 0.53 N ATOM 1034 CA THR A 68 -15.836 -3.572 1.603 1.00 0.62 C ATOM 1035 C THR A 68 -16.319 -2.529 2.615 1.00 0.64 C ATOM 1036 O THR A 68 -17.504 -2.340 2.809 1.00 0.86 O ATOM 1037 CB THR A 68 -15.783 -4.961 2.238 1.00 0.66 C ATOM 1038 OG1 THR A 68 -14.615 -5.073 3.048 1.00 1.29 O ATOM 1039 CG2 THR A 68 -15.766 -6.021 1.132 1.00 1.35 C ATOM 0 H THR A 68 -13.714 -3.758 1.738 1.00 0.53 H new ATOM 0 HA THR A 68 -16.527 -3.543 0.760 1.00 0.62 H new ATOM 0 HB THR A 68 -16.661 -5.114 2.866 1.00 0.66 H new ATOM 0 HG1 THR A 68 -14.873 -5.097 3.993 1.00 1.29 H new ATOM 0 HG21 THR A 68 -15.728 -7.014 1.580 1.00 1.35 H new ATOM 0 HG22 THR A 68 -16.668 -5.930 0.527 1.00 1.35 H new ATOM 0 HG23 THR A 68 -14.890 -5.874 0.501 1.00 1.35 H new ATOM 1047 N GLU A 69 -15.408 -1.849 3.259 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.809 -0.816 4.256 1.00 0.61 C ATOM 1049 C GLU A 69 -15.543 0.586 3.696 1.00 0.57 C ATOM 1050 O GLU A 69 -16.418 1.427 3.664 1.00 0.66 O ATOM 1051 CB GLU A 69 -14.926 -1.085 5.473 1.00 0.63 C ATOM 1052 CG GLU A 69 -15.736 -0.848 6.751 1.00 0.83 C ATOM 1053 CD GLU A 69 -15.561 0.602 7.204 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -14.425 1.018 7.366 1.00 2.10 O ATOM 1055 OE2 GLU A 69 -16.564 1.271 7.381 1.00 2.22 O ATOM 0 H GLU A 69 -14.402 -1.965 3.137 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.870 -0.863 4.503 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -14.556 -2.110 5.448 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -14.054 -0.431 5.455 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -16.790 -1.059 6.571 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -15.404 -1.528 7.536 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.340 0.841 3.253 1.00 0.52 N ATOM 1063 CA GLU A 70 -14.022 2.188 2.693 1.00 0.57 C ATOM 1064 C GLU A 70 -14.028 2.133 1.162 1.00 0.72 C ATOM 1065 O GLU A 70 -13.168 2.686 0.508 1.00 1.34 O ATOM 1066 CB GLU A 70 -12.622 2.513 3.214 1.00 0.71 C ATOM 1067 CG GLU A 70 -12.662 2.634 4.739 1.00 1.05 C ATOM 1068 CD GLU A 70 -11.857 1.492 5.362 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -10.640 1.574 5.349 1.00 1.97 O ATOM 1070 OE2 GLU A 70 -12.472 0.554 5.843 1.00 1.89 O ATOM 0 H GLU A 70 -13.566 0.177 3.255 1.00 0.52 H new ATOM 0 HA GLU A 70 -14.750 2.944 2.988 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -11.922 1.732 2.919 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -12.265 3.444 2.774 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -12.251 3.595 5.049 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -13.693 2.600 5.090 1.00 1.05 H new ATOM 1077 N SER A 71 -14.993 1.466 0.592 1.00 0.55 N ATOM 1078 CA SER A 71 -15.061 1.367 -0.896 1.00 0.66 C ATOM 1079 C SER A 71 -15.177 2.759 -1.526 1.00 0.70 C ATOM 1080 O SER A 71 -14.951 2.933 -2.708 1.00 0.94 O ATOM 1081 CB SER A 71 -16.320 0.547 -1.177 1.00 0.79 C ATOM 1082 OG SER A 71 -16.076 -0.324 -2.272 1.00 1.48 O ATOM 0 H SER A 71 -15.740 0.984 1.092 1.00 0.55 H new ATOM 0 HA SER A 71 -14.167 0.908 -1.317 1.00 0.66 H new ATOM 0 HB2 SER A 71 -16.598 -0.029 -0.294 1.00 0.79 H new ATOM 0 HB3 SER A 71 -17.156 1.209 -1.403 1.00 0.79 H new ATOM 0 HG SER A 71 -15.657 -1.148 -1.947 1.00 1.48 H new ATOM 1088 N ASP A 72 -15.532 3.753 -0.753 1.00 0.67 N ATOM 1089 CA ASP A 72 -15.663 5.131 -1.319 1.00 0.71 C ATOM 1090 C ASP A 72 -14.415 5.504 -2.124 1.00 0.68 C ATOM 1091 O ASP A 72 -14.501 6.067 -3.198 1.00 0.77 O ATOM 1092 CB ASP A 72 -15.810 6.047 -0.105 1.00 0.78 C ATOM 1093 CG ASP A 72 -16.811 7.159 -0.424 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -16.432 8.090 -1.115 1.00 1.83 O ATOM 1095 OD2 ASP A 72 -17.940 7.060 0.027 1.00 1.57 O ATOM 0 H ASP A 72 -15.737 3.671 0.243 1.00 0.67 H new ATOM 0 HA ASP A 72 -16.511 5.213 -1.999 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -16.150 5.474 0.758 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -14.844 6.477 0.159 1.00 0.78 H new ATOM 1100 N LEU A 73 -13.259 5.190 -1.616 1.00 0.63 N ATOM 1101 CA LEU A 73 -12.006 5.524 -2.354 1.00 0.68 C ATOM 1102 C LEU A 73 -11.771 4.505 -3.470 1.00 0.60 C ATOM 1103 O LEU A 73 -11.235 4.825 -4.513 1.00 0.64 O ATOM 1104 CB LEU A 73 -10.895 5.448 -1.307 1.00 0.83 C ATOM 1105 CG LEU A 73 -11.197 6.430 -0.173 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -11.564 5.653 1.092 1.00 1.22 C ATOM 1107 CD2 LEU A 73 -9.962 7.292 0.097 1.00 0.97 C ATOM 0 H LEU A 73 -13.124 4.717 -0.722 1.00 0.63 H new ATOM 0 HA LEU A 73 -12.049 6.506 -2.824 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -10.819 4.434 -0.914 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -9.934 5.686 -1.763 1.00 0.83 H new ATOM 0 HG LEU A 73 -12.031 7.070 -0.460 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -11.779 6.353 1.899 1.00 1.22 H new ATOM 0 HD12 LEU A 73 -12.444 5.039 0.900 1.00 1.22 H new ATOM 0 HD13 LEU A 73 -10.731 5.012 1.380 1.00 1.22 H new ATOM 0 HD21 LEU A 73 -10.176 7.992 0.905 1.00 0.97 H new ATOM 0 HD22 LEU A 73 -9.127 6.652 0.383 1.00 0.97 H new ATOM 0 HD23 LEU A 73 -9.701 7.847 -0.804 1.00 0.97 H new ATOM 1119 N ALA A 74 -12.177 3.284 -3.263 1.00 0.57 N ATOM 1120 CA ALA A 74 -11.986 2.250 -4.319 1.00 0.56 C ATOM 1121 C ALA A 74 -12.891 2.559 -5.511 1.00 0.59 C ATOM 1122 O ALA A 74 -12.526 2.355 -6.651 1.00 0.65 O ATOM 1123 CB ALA A 74 -12.392 0.929 -3.662 1.00 0.60 C ATOM 0 H ALA A 74 -12.632 2.957 -2.411 1.00 0.57 H new ATOM 0 HA ALA A 74 -10.962 2.216 -4.691 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -12.279 0.116 -4.379 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -11.755 0.742 -2.797 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -13.432 0.987 -3.341 1.00 0.60 H new ATOM 1129 N GLN A 75 -14.070 3.058 -5.254 1.00 0.64 N ATOM 1130 CA GLN A 75 -14.995 3.389 -6.374 1.00 0.76 C ATOM 1131 C GLN A 75 -14.342 4.419 -7.296 1.00 0.78 C ATOM 1132 O GLN A 75 -14.559 4.423 -8.491 1.00 0.86 O ATOM 1133 CB GLN A 75 -16.239 3.976 -5.704 1.00 0.87 C ATOM 1134 CG GLN A 75 -17.196 2.844 -5.320 1.00 1.42 C ATOM 1135 CD GLN A 75 -18.434 2.895 -6.218 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -18.995 3.949 -6.440 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -18.885 1.792 -6.749 1.00 2.40 N ATOM 0 H GLN A 75 -14.431 3.250 -4.320 1.00 0.64 H new ATOM 0 HA GLN A 75 -15.240 2.520 -6.985 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -15.954 4.542 -4.817 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -16.735 4.672 -6.381 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -16.697 1.881 -5.425 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -17.488 2.940 -4.274 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -18.414 0.907 -6.563 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -19.709 1.815 -7.350 1.00 2.40 H new ATOM 1146 N GLN A 76 -13.536 5.289 -6.750 1.00 0.76 N ATOM 1147 CA GLN A 76 -12.863 6.310 -7.601 1.00 0.84 C ATOM 1148 C GLN A 76 -12.083 5.617 -8.718 1.00 0.83 C ATOM 1149 O GLN A 76 -11.996 6.106 -9.828 1.00 0.94 O ATOM 1150 CB GLN A 76 -11.911 7.048 -6.659 1.00 0.89 C ATOM 1151 CG GLN A 76 -11.847 8.525 -7.054 1.00 1.14 C ATOM 1152 CD GLN A 76 -11.903 9.392 -5.794 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -11.041 9.302 -4.942 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -12.888 10.234 -5.639 1.00 1.97 N ATOM 0 H GLN A 76 -13.315 5.337 -5.755 1.00 0.76 H new ATOM 0 HA GLN A 76 -13.570 6.991 -8.075 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -12.253 6.950 -5.629 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -10.917 6.604 -6.708 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -10.929 8.726 -7.606 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -12.677 8.772 -7.716 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -13.612 10.310 -6.354 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -12.934 10.816 -4.803 1.00 1.97 H new ATOM 1163 N TYR A 77 -11.519 4.476 -8.432 1.00 0.74 N ATOM 1164 CA TYR A 77 -10.746 3.742 -9.470 1.00 0.81 C ATOM 1165 C TYR A 77 -11.628 2.682 -10.133 1.00 0.83 C ATOM 1166 O TYR A 77 -11.755 2.629 -11.340 1.00 1.00 O ATOM 1167 CB TYR A 77 -9.600 3.084 -8.705 1.00 0.80 C ATOM 1168 CG TYR A 77 -8.754 4.147 -8.046 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -7.922 4.960 -8.824 1.00 1.42 C ATOM 1170 CD2 TYR A 77 -8.804 4.321 -6.658 1.00 1.18 C ATOM 1171 CE1 TYR A 77 -7.138 5.948 -8.214 1.00 1.56 C ATOM 1172 CE2 TYR A 77 -8.021 5.309 -6.048 1.00 1.19 C ATOM 1173 CZ TYR A 77 -7.184 6.117 -6.824 1.00 1.05 C ATOM 1174 OH TYR A 77 -6.415 7.095 -6.224 1.00 1.22 O ATOM 0 H TYR A 77 -11.561 4.020 -7.521 1.00 0.74 H new ATOM 0 HA TYR A 77 -10.387 4.396 -10.265 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -9.996 2.402 -7.953 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -8.990 2.489 -9.385 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -7.884 4.826 -9.895 1.00 1.42 H new ATOM 0 HD2 TYR A 77 -9.446 3.694 -6.058 1.00 1.18 H new ATOM 0 HE1 TYR A 77 -6.499 6.578 -8.815 1.00 1.56 H new ATOM 0 HE2 TYR A 77 -8.064 5.447 -4.978 1.00 1.19 H new ATOM 0 HH TYR A 77 -5.529 6.732 -6.016 1.00 1.22 H new ATOM 1184 N GLY A 78 -12.233 1.836 -9.348 1.00 0.78 N ATOM 1185 CA GLY A 78 -13.103 0.772 -9.923 1.00 0.87 C ATOM 1186 C GLY A 78 -12.617 -0.588 -9.423 1.00 0.88 C ATOM 1187 O GLY A 78 -12.403 -1.505 -10.190 1.00 1.52 O ATOM 0 H GLY A 78 -12.163 1.835 -8.330 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -14.140 0.933 -9.629 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -13.071 0.807 -11.012 1.00 0.87 H new ATOM 1191 N VAL A 79 -12.430 -0.717 -8.139 1.00 0.80 N ATOM 1192 CA VAL A 79 -11.944 -2.010 -7.583 1.00 0.79 C ATOM 1193 C VAL A 79 -13.104 -2.803 -6.972 1.00 1.13 C ATOM 1194 O VAL A 79 -14.037 -2.243 -6.431 1.00 1.54 O ATOM 1195 CB VAL A 79 -10.935 -1.614 -6.504 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -10.281 -2.870 -5.930 1.00 1.30 C ATOM 1197 CG2 VAL A 79 -9.857 -0.715 -7.115 1.00 0.72 C ATOM 0 H VAL A 79 -12.593 0.018 -7.450 1.00 0.80 H new ATOM 0 HA VAL A 79 -11.501 -2.648 -8.348 1.00 0.79 H new ATOM 0 HB VAL A 79 -11.450 -1.075 -5.709 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -9.562 -2.587 -5.161 1.00 1.30 H new ATOM 0 HG12 VAL A 79 -11.046 -3.511 -5.493 1.00 1.30 H new ATOM 0 HG13 VAL A 79 -9.767 -3.409 -6.726 1.00 1.30 H new ATOM 0 HG21 VAL A 79 -9.139 -0.434 -6.345 1.00 0.72 H new ATOM 0 HG22 VAL A 79 -9.343 -1.253 -7.912 1.00 0.72 H new ATOM 0 HG23 VAL A 79 -10.321 0.183 -7.524 1.00 0.72 H new ATOM 1207 N ARG A 80 -13.047 -4.104 -7.054 1.00 1.27 N ATOM 1208 CA ARG A 80 -14.139 -4.944 -6.479 1.00 1.72 C ATOM 1209 C ARG A 80 -13.739 -6.421 -6.533 1.00 1.38 C ATOM 1210 O ARG A 80 -14.564 -7.296 -6.705 1.00 1.87 O ATOM 1211 CB ARG A 80 -15.355 -4.681 -7.368 1.00 2.38 C ATOM 1212 CG ARG A 80 -15.049 -5.122 -8.801 1.00 2.85 C ATOM 1213 CD ARG A 80 -15.875 -4.286 -9.781 1.00 3.49 C ATOM 1214 NE ARG A 80 -14.934 -3.944 -10.884 1.00 4.06 N ATOM 1215 CZ ARG A 80 -15.150 -2.890 -11.623 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -15.456 -1.752 -11.061 1.00 5.09 N ATOM 1217 NH2 ARG A 80 -15.062 -2.975 -12.922 1.00 5.25 N ATOM 0 H ARG A 80 -12.289 -4.624 -7.496 1.00 1.27 H new ATOM 0 HA ARG A 80 -14.345 -4.705 -5.436 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -16.221 -5.223 -6.987 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -15.609 -3.621 -7.349 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -13.986 -5.002 -9.010 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -15.281 -6.180 -8.924 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -16.732 -4.847 -10.153 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -16.265 -3.388 -9.302 1.00 3.49 H new ATOM 0 HE ARG A 80 -14.121 -4.534 -11.062 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -15.526 -1.687 -10.045 1.00 5.09 H new ATOM 0 HH12 ARG A 80 -15.625 -0.928 -11.637 1.00 5.09 H new ATOM 0 HH21 ARG A 80 -14.824 -3.865 -13.360 1.00 5.25 H new ATOM 0 HH22 ARG A 80 -15.231 -2.151 -13.500 1.00 5.25 H new ATOM 1231 N GLY A 81 -12.472 -6.699 -6.388 1.00 0.87 N ATOM 1232 CA GLY A 81 -12.000 -8.111 -6.432 1.00 0.81 C ATOM 1233 C GLY A 81 -10.858 -8.286 -5.439 1.00 0.74 C ATOM 1234 O GLY A 81 -10.862 -9.175 -4.610 1.00 1.17 O ATOM 0 H GLY A 81 -11.740 -6.004 -6.240 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -12.818 -8.789 -6.188 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -11.666 -8.365 -7.438 1.00 0.81 H new ATOM 1238 N TYR A 82 -9.889 -7.422 -5.521 1.00 0.61 N ATOM 1239 CA TYR A 82 -8.714 -7.474 -4.601 1.00 0.52 C ATOM 1240 C TYR A 82 -8.051 -8.863 -4.657 1.00 0.54 C ATOM 1241 O TYR A 82 -8.621 -9.789 -5.200 1.00 0.61 O ATOM 1242 CB TYR A 82 -9.213 -7.161 -3.168 1.00 0.59 C ATOM 1243 CG TYR A 82 -10.607 -6.556 -3.144 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -10.823 -5.280 -3.679 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -11.672 -7.270 -2.583 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -12.105 -4.719 -3.655 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -12.954 -6.708 -2.559 1.00 1.04 C ATOM 1248 CZ TYR A 82 -13.177 -5.447 -3.105 1.00 0.75 C ATOM 1249 OH TYR A 82 -14.435 -4.879 -3.070 1.00 0.85 O ATOM 0 H TYR A 82 -9.858 -6.663 -6.202 1.00 0.61 H new ATOM 0 HA TYR A 82 -7.966 -6.741 -4.901 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -9.211 -8.079 -2.580 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -8.516 -6.474 -2.689 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -10.000 -4.729 -4.110 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -11.505 -8.253 -2.169 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -12.271 -3.731 -4.057 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -13.773 -7.255 -2.115 1.00 1.04 H new ATOM 0 HH TYR A 82 -15.066 -5.507 -2.662 1.00 0.85 H new ATOM 1259 N PRO A 83 -6.856 -8.980 -4.103 1.00 0.54 N ATOM 1260 CA PRO A 83 -6.158 -7.839 -3.438 1.00 0.51 C ATOM 1261 C PRO A 83 -5.618 -6.851 -4.478 1.00 0.51 C ATOM 1262 O PRO A 83 -4.861 -7.213 -5.357 1.00 0.63 O ATOM 1263 CB PRO A 83 -5.010 -8.506 -2.687 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.752 -9.780 -3.426 1.00 0.66 C ATOM 1265 CD PRO A 83 -6.055 -10.211 -4.047 1.00 0.64 C ATOM 0 HA PRO A 83 -6.816 -7.265 -2.786 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -4.124 -7.871 -2.675 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.278 -8.700 -1.648 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -3.992 -9.632 -4.193 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.377 -10.547 -2.749 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -5.902 -10.631 -5.041 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -6.546 -10.978 -3.449 1.00 0.64 H new ATOM 1273 N THR A 84 -5.997 -5.604 -4.380 1.00 0.45 N ATOM 1274 CA THR A 84 -5.501 -4.592 -5.357 1.00 0.45 C ATOM 1275 C THR A 84 -4.602 -3.576 -4.643 1.00 0.43 C ATOM 1276 O THR A 84 -5.044 -2.845 -3.780 1.00 0.52 O ATOM 1277 CB THR A 84 -6.761 -3.911 -5.896 1.00 0.48 C ATOM 1278 OG1 THR A 84 -7.767 -4.890 -6.118 1.00 0.67 O ATOM 1279 CG2 THR A 84 -6.440 -3.201 -7.212 1.00 0.56 C ATOM 0 H THR A 84 -6.629 -5.243 -3.665 1.00 0.45 H new ATOM 0 HA THR A 84 -4.909 -5.038 -6.156 1.00 0.45 H new ATOM 0 HB THR A 84 -7.116 -3.180 -5.170 1.00 0.48 H new ATOM 0 HG1 THR A 84 -8.125 -4.791 -7.025 1.00 0.67 H new ATOM 0 HG21 THR A 84 -7.339 -2.717 -7.593 1.00 0.56 H new ATOM 0 HG22 THR A 84 -5.668 -2.450 -7.042 1.00 0.56 H new ATOM 0 HG23 THR A 84 -6.083 -3.929 -7.941 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.345 -3.531 -4.990 1.00 0.41 N ATOM 1288 CA ILE A 85 -2.424 -2.567 -4.318 1.00 0.41 C ATOM 1289 C ILE A 85 -1.956 -1.495 -5.307 1.00 0.41 C ATOM 1290 O ILE A 85 -1.825 -1.740 -6.490 1.00 0.54 O ATOM 1291 CB ILE A 85 -1.242 -3.411 -3.844 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -1.753 -4.572 -2.987 1.00 0.89 C ATOM 1293 CG2 ILE A 85 -0.295 -2.544 -3.013 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -1.590 -5.884 -3.756 1.00 1.27 C ATOM 0 H ILE A 85 -2.916 -4.117 -5.706 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.909 -2.044 -3.494 1.00 0.41 H new ATOM 0 HB ILE A 85 -0.709 -3.805 -4.709 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -1.200 -4.617 -2.049 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -2.801 -4.416 -2.732 1.00 0.89 H new ATOM 0 HG21 ILE A 85 0.548 -3.147 -2.675 1.00 0.80 H new ATOM 0 HG22 ILE A 85 0.071 -1.718 -3.622 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.828 -2.149 -2.148 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -1.954 -6.711 -3.146 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -2.163 -5.837 -4.682 1.00 1.27 H new ATOM 0 HD13 ILE A 85 -0.537 -6.041 -3.989 1.00 1.27 H new ATOM 1306 N LYS A 86 -1.697 -0.309 -4.827 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.232 0.780 -5.734 1.00 0.40 C ATOM 1308 C LYS A 86 -0.232 1.681 -5.004 1.00 0.38 C ATOM 1309 O LYS A 86 -0.366 1.948 -3.826 1.00 0.49 O ATOM 1310 CB LYS A 86 -2.495 1.561 -6.098 1.00 0.48 C ATOM 1311 CG LYS A 86 -2.632 1.626 -7.620 1.00 0.94 C ATOM 1312 CD LYS A 86 -3.501 0.463 -8.105 1.00 1.03 C ATOM 1313 CE LYS A 86 -4.940 0.666 -7.629 1.00 1.37 C ATOM 1314 NZ LYS A 86 -5.758 0.662 -8.875 1.00 1.73 N ATOM 0 H LYS A 86 -1.787 -0.047 -3.845 1.00 0.37 H new ATOM 0 HA LYS A 86 -0.725 0.394 -6.619 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -3.371 1.080 -5.663 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -2.445 2.568 -5.683 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -3.079 2.575 -7.915 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -1.648 1.578 -8.087 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -3.472 0.403 -9.193 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -3.110 -0.480 -7.723 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -5.248 -0.130 -6.951 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -5.049 1.606 -7.088 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -6.760 0.796 -8.633 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -5.446 1.434 -9.498 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -5.639 -0.247 -9.365 1.00 1.73 H new ATOM 1328 N PHE A 87 0.775 2.146 -5.692 1.00 0.37 N ATOM 1329 CA PHE A 87 1.787 3.023 -5.035 1.00 0.36 C ATOM 1330 C PHE A 87 1.479 4.499 -5.310 1.00 0.33 C ATOM 1331 O PHE A 87 1.330 4.913 -6.443 1.00 0.37 O ATOM 1332 CB PHE A 87 3.123 2.621 -5.670 1.00 0.42 C ATOM 1333 CG PHE A 87 4.217 3.552 -5.197 1.00 0.46 C ATOM 1334 CD1 PHE A 87 4.551 3.609 -3.839 1.00 0.44 C ATOM 1335 CD2 PHE A 87 4.895 4.358 -6.120 1.00 0.81 C ATOM 1336 CE1 PHE A 87 5.564 4.473 -3.404 1.00 0.46 C ATOM 1337 CE2 PHE A 87 5.907 5.221 -5.684 1.00 0.97 C ATOM 1338 CZ PHE A 87 6.241 5.279 -4.326 1.00 0.72 C ATOM 0 H PHE A 87 0.941 1.957 -6.680 1.00 0.37 H new ATOM 0 HA PHE A 87 1.795 2.905 -3.951 1.00 0.36 H new ATOM 0 HB2 PHE A 87 3.368 1.593 -5.404 1.00 0.42 H new ATOM 0 HB3 PHE A 87 3.045 2.659 -6.757 1.00 0.42 H new ATOM 0 HD1 PHE A 87 4.028 2.987 -3.127 1.00 0.44 H new ATOM 0 HD2 PHE A 87 4.637 4.314 -7.168 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.823 4.517 -2.356 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.430 5.842 -6.396 1.00 0.97 H new ATOM 0 HZ PHE A 87 7.021 5.946 -3.990 1.00 0.72 H new ATOM 1348 N PHE A 88 1.394 5.297 -4.280 1.00 0.33 N ATOM 1349 CA PHE A 88 1.109 6.747 -4.477 1.00 0.35 C ATOM 1350 C PHE A 88 2.383 7.562 -4.237 1.00 0.42 C ATOM 1351 O PHE A 88 3.188 7.234 -3.387 1.00 0.61 O ATOM 1352 CB PHE A 88 0.048 7.081 -3.431 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.303 6.611 -3.916 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -2.061 7.424 -4.768 1.00 0.54 C ATOM 1355 CD2 PHE A 88 -1.799 5.366 -3.513 1.00 0.63 C ATOM 1356 CE1 PHE A 88 -3.314 6.990 -5.217 1.00 0.62 C ATOM 1357 CE2 PHE A 88 -3.052 4.932 -3.961 1.00 0.73 C ATOM 1358 CZ PHE A 88 -3.805 5.735 -4.818 1.00 0.62 C ATOM 0 H PHE A 88 1.510 5.007 -3.309 1.00 0.33 H new ATOM 0 HA PHE A 88 0.769 6.977 -5.487 1.00 0.35 H new ATOM 0 HB2 PHE A 88 0.293 6.602 -2.483 1.00 0.39 H new ATOM 0 HB3 PHE A 88 0.027 8.155 -3.249 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -1.679 8.385 -5.079 1.00 0.54 H new ATOM 0 HD2 PHE A 88 -1.214 4.739 -2.856 1.00 0.63 H new ATOM 0 HE1 PHE A 88 -3.902 7.619 -5.869 1.00 0.62 H new ATOM 0 HE2 PHE A 88 -3.436 3.974 -3.643 1.00 0.73 H new ATOM 0 HZ PHE A 88 -4.765 5.392 -5.175 1.00 0.62 H new ATOM 1368 N ARG A 89 2.582 8.617 -4.980 1.00 0.47 N ATOM 1369 CA ARG A 89 3.814 9.436 -4.787 1.00 0.55 C ATOM 1370 C ARG A 89 3.458 10.859 -4.348 1.00 0.64 C ATOM 1371 O ARG A 89 3.104 11.699 -5.151 1.00 1.05 O ATOM 1372 CB ARG A 89 4.496 9.453 -6.155 1.00 0.73 C ATOM 1373 CG ARG A 89 6.011 9.559 -5.967 1.00 1.15 C ATOM 1374 CD ARG A 89 6.718 9.075 -7.236 1.00 1.42 C ATOM 1375 NE ARG A 89 8.008 9.821 -7.266 1.00 1.73 N ATOM 1376 CZ ARG A 89 8.765 9.774 -8.330 1.00 2.07 C ATOM 1377 NH1 ARG A 89 8.237 9.909 -9.515 1.00 2.56 N ATOM 1378 NH2 ARG A 89 10.052 9.591 -8.206 1.00 2.43 N ATOM 0 H ARG A 89 1.949 8.946 -5.709 1.00 0.47 H new ATOM 0 HA ARG A 89 4.458 9.024 -4.011 1.00 0.55 H new ATOM 0 HB2 ARG A 89 4.250 8.546 -6.708 1.00 0.73 H new ATOM 0 HB3 ARG A 89 4.132 10.294 -6.745 1.00 0.73 H new ATOM 0 HG2 ARG A 89 6.290 10.591 -5.753 1.00 1.15 H new ATOM 0 HG3 ARG A 89 6.325 8.960 -5.112 1.00 1.15 H new ATOM 0 HD2 ARG A 89 6.885 7.998 -7.209 1.00 1.42 H new ATOM 0 HD3 ARG A 89 6.121 9.282 -8.124 1.00 1.42 H new ATOM 0 HE ARG A 89 8.300 10.368 -6.456 1.00 1.73 H new ATOM 0 HH11 ARG A 89 7.232 10.052 -9.612 1.00 2.56 H new ATOM 0 HH12 ARG A 89 8.829 9.872 -10.345 1.00 2.56 H new ATOM 0 HH21 ARG A 89 10.465 9.485 -7.279 1.00 2.43 H new ATOM 0 HH22 ARG A 89 10.644 9.554 -9.036 1.00 2.43 H new ATOM 1392 N ASN A 90 3.562 11.137 -3.075 1.00 0.57 N ATOM 1393 CA ASN A 90 3.245 12.508 -2.572 1.00 0.68 C ATOM 1394 C ASN A 90 1.910 13.003 -3.135 1.00 0.69 C ATOM 1395 O ASN A 90 1.868 13.886 -3.969 1.00 0.98 O ATOM 1396 CB ASN A 90 4.393 13.383 -3.074 1.00 0.87 C ATOM 1397 CG ASN A 90 4.280 14.775 -2.451 1.00 1.10 C ATOM 1398 OD1 ASN A 90 4.229 15.765 -3.153 1.00 1.65 O ATOM 1399 ND2 ASN A 90 4.239 14.893 -1.153 1.00 1.74 N ATOM 0 H ASN A 90 3.854 10.472 -2.359 1.00 0.57 H new ATOM 0 HA ASN A 90 3.149 12.531 -1.486 1.00 0.68 H new ATOM 0 HB2 ASN A 90 5.350 12.932 -2.812 1.00 0.87 H new ATOM 0 HB3 ASN A 90 4.361 13.455 -4.161 1.00 0.87 H new ATOM 0 HD21 ASN A 90 4.164 15.817 -0.727 1.00 1.74 H new ATOM 0 HD22 ASN A 90 4.282 14.062 -0.564 1.00 1.74 H new ATOM 1406 N GLY A 91 0.820 12.443 -2.687 1.00 0.65 N ATOM 1407 CA GLY A 91 -0.508 12.887 -3.200 1.00 0.75 C ATOM 1408 C GLY A 91 -0.526 12.791 -4.725 1.00 0.79 C ATOM 1409 O GLY A 91 -0.443 13.784 -5.421 1.00 1.19 O ATOM 0 H GLY A 91 0.791 11.699 -1.990 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -1.298 12.267 -2.777 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -0.706 13.912 -2.888 1.00 0.75 H new ATOM 1413 N ASP A 92 -0.631 11.604 -5.247 1.00 0.90 N ATOM 1414 CA ASP A 92 -0.653 11.442 -6.729 1.00 1.27 C ATOM 1415 C ASP A 92 -2.021 11.847 -7.280 1.00 1.14 C ATOM 1416 O ASP A 92 -2.117 12.663 -8.175 1.00 1.70 O ATOM 1417 CB ASP A 92 -0.398 9.953 -6.969 1.00 1.93 C ATOM 1418 CG ASP A 92 0.684 9.788 -8.038 1.00 2.15 C ATOM 1419 OD1 ASP A 92 0.652 10.533 -9.004 1.00 2.68 O ATOM 1420 OD2 ASP A 92 1.526 8.921 -7.874 1.00 2.41 O ATOM 0 H ASP A 92 -0.703 10.737 -4.714 1.00 0.90 H new ATOM 0 HA ASP A 92 0.089 12.067 -7.225 1.00 1.27 H new ATOM 0 HB2 ASP A 92 -0.085 9.472 -6.042 1.00 1.93 H new ATOM 0 HB3 ASP A 92 -1.318 9.462 -7.288 1.00 1.93 H new ATOM 1425 N THR A 93 -3.075 11.277 -6.747 1.00 0.96 N ATOM 1426 CA THR A 93 -4.457 11.612 -7.221 1.00 1.33 C ATOM 1427 C THR A 93 -4.511 11.689 -8.752 1.00 1.26 C ATOM 1428 O THR A 93 -5.208 12.508 -9.318 1.00 1.90 O ATOM 1429 CB THR A 93 -4.781 12.972 -6.595 1.00 1.74 C ATOM 1430 OG1 THR A 93 -3.709 13.874 -6.833 1.00 2.10 O ATOM 1431 CG2 THR A 93 -4.983 12.803 -5.089 1.00 1.92 C ATOM 0 H THR A 93 -3.037 10.587 -5.997 1.00 0.96 H new ATOM 0 HA THR A 93 -5.178 10.849 -6.929 1.00 1.33 H new ATOM 0 HB THR A 93 -5.692 13.369 -7.042 1.00 1.74 H new ATOM 0 HG1 THR A 93 -3.355 13.730 -7.735 1.00 2.10 H new ATOM 0 HG21 THR A 93 -5.214 13.770 -4.642 1.00 1.92 H new ATOM 0 HG22 THR A 93 -5.807 12.113 -4.908 1.00 1.92 H new ATOM 0 HG23 THR A 93 -4.072 12.405 -4.642 1.00 1.92 H new ATOM 1439 N ALA A 94 -3.780 10.842 -9.422 1.00 1.18 N ATOM 1440 CA ALA A 94 -3.786 10.863 -10.912 1.00 1.18 C ATOM 1441 C ALA A 94 -2.947 9.707 -11.458 1.00 1.14 C ATOM 1442 O ALA A 94 -1.735 9.774 -11.514 1.00 1.48 O ATOM 1443 CB ALA A 94 -3.167 12.204 -11.297 1.00 1.24 C ATOM 0 H ALA A 94 -3.177 10.135 -9.001 1.00 1.18 H new ATOM 0 HA ALA A 94 -4.790 10.749 -11.321 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -3.137 12.293 -12.383 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -3.767 13.014 -10.883 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -2.154 12.264 -10.900 1.00 1.24 H new ATOM 1449 N SER A 95 -3.588 8.649 -11.863 1.00 1.20 N ATOM 1450 CA SER A 95 -2.840 7.481 -12.410 1.00 1.22 C ATOM 1451 C SER A 95 -1.756 7.031 -11.422 1.00 0.98 C ATOM 1452 O SER A 95 -0.598 7.362 -11.584 1.00 0.98 O ATOM 1453 CB SER A 95 -2.206 7.989 -13.706 1.00 1.48 C ATOM 1454 OG SER A 95 -1.700 6.888 -14.448 1.00 2.01 O ATOM 0 H SER A 95 -4.602 8.540 -11.839 1.00 1.20 H new ATOM 0 HA SER A 95 -3.488 6.621 -12.581 1.00 1.22 H new ATOM 0 HB2 SER A 95 -2.944 8.531 -14.297 1.00 1.48 H new ATOM 0 HB3 SER A 95 -1.402 8.690 -13.480 1.00 1.48 H new ATOM 0 HG SER A 95 -1.295 7.212 -15.279 1.00 2.01 H new ATOM 1460 N PRO A 96 -2.167 6.285 -10.424 1.00 0.87 N ATOM 1461 CA PRO A 96 -1.206 5.789 -9.407 1.00 0.72 C ATOM 1462 C PRO A 96 -0.329 4.684 -10.000 1.00 0.65 C ATOM 1463 O PRO A 96 -0.550 4.228 -11.104 1.00 0.79 O ATOM 1464 CB PRO A 96 -2.103 5.237 -8.303 1.00 0.79 C ATOM 1465 CG PRO A 96 -3.388 4.891 -8.986 1.00 0.97 C ATOM 1466 CD PRO A 96 -3.541 5.835 -10.149 1.00 1.02 C ATOM 0 HA PRO A 96 -0.525 6.560 -9.048 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -1.657 4.360 -7.833 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -2.260 5.975 -7.516 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -3.375 3.856 -9.329 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -4.228 4.988 -8.298 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -3.978 5.336 -11.014 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -4.193 6.672 -9.901 1.00 1.02 H new ATOM 1474 N LYS A 97 0.664 4.251 -9.276 1.00 0.55 N ATOM 1475 CA LYS A 97 1.555 3.177 -9.801 1.00 0.57 C ATOM 1476 C LYS A 97 1.071 1.806 -9.319 1.00 0.53 C ATOM 1477 O LYS A 97 1.167 1.477 -8.154 1.00 0.89 O ATOM 1478 CB LYS A 97 2.936 3.494 -9.225 1.00 0.68 C ATOM 1479 CG LYS A 97 3.696 4.399 -10.198 1.00 0.85 C ATOM 1480 CD LYS A 97 4.540 5.402 -9.408 1.00 1.63 C ATOM 1481 CE LYS A 97 5.059 6.489 -10.352 1.00 2.05 C ATOM 1482 NZ LYS A 97 4.037 7.570 -10.293 1.00 2.61 N ATOM 0 H LYS A 97 0.898 4.593 -8.344 1.00 0.55 H new ATOM 0 HA LYS A 97 1.566 3.143 -10.890 1.00 0.57 H new ATOM 0 HB2 LYS A 97 2.835 3.985 -8.257 1.00 0.68 H new ATOM 0 HB3 LYS A 97 3.493 2.572 -9.058 1.00 0.68 H new ATOM 0 HG2 LYS A 97 4.336 3.799 -10.845 1.00 0.85 H new ATOM 0 HG3 LYS A 97 2.994 4.927 -10.844 1.00 0.85 H new ATOM 0 HD2 LYS A 97 3.943 5.850 -8.614 1.00 1.63 H new ATOM 0 HD3 LYS A 97 5.376 4.892 -8.929 1.00 1.63 H new ATOM 0 HE2 LYS A 97 6.037 6.852 -10.036 1.00 2.05 H new ATOM 0 HE3 LYS A 97 5.173 6.109 -11.367 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 4.323 8.352 -10.916 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 3.118 7.197 -10.606 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 3.955 7.917 -9.316 1.00 2.61 H new ATOM 1496 N GLU A 98 0.551 1.005 -10.210 1.00 0.51 N ATOM 1497 CA GLU A 98 0.060 -0.345 -9.804 1.00 0.48 C ATOM 1498 C GLU A 98 1.243 -1.269 -9.501 1.00 0.45 C ATOM 1499 O GLU A 98 2.374 -0.975 -9.837 1.00 0.61 O ATOM 1500 CB GLU A 98 -0.728 -0.857 -11.010 1.00 0.61 C ATOM 1501 CG GLU A 98 0.204 -0.978 -12.217 1.00 1.33 C ATOM 1502 CD GLU A 98 -0.436 -0.295 -13.428 1.00 2.10 C ATOM 1503 OE1 GLU A 98 -1.578 -0.606 -13.723 1.00 2.79 O ATOM 1504 OE2 GLU A 98 0.227 0.527 -14.039 1.00 2.61 O ATOM 0 H GLU A 98 0.445 1.226 -11.200 1.00 0.51 H new ATOM 0 HA GLU A 98 -0.552 -0.310 -8.903 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -1.172 -1.826 -10.782 1.00 0.61 H new ATOM 0 HB3 GLU A 98 -1.548 -0.176 -11.238 1.00 0.61 H new ATOM 0 HG2 GLU A 98 1.167 -0.518 -11.994 1.00 1.33 H new ATOM 0 HG3 GLU A 98 0.396 -2.028 -12.438 1.00 1.33 H new ATOM 1511 N TYR A 99 0.992 -2.383 -8.869 1.00 0.45 N ATOM 1512 CA TYR A 99 2.105 -3.323 -8.546 1.00 0.46 C ATOM 1513 C TYR A 99 2.161 -4.456 -9.574 1.00 0.53 C ATOM 1514 O TYR A 99 1.255 -5.260 -9.676 1.00 0.67 O ATOM 1515 CB TYR A 99 1.773 -3.871 -7.157 1.00 0.52 C ATOM 1516 CG TYR A 99 2.859 -3.467 -6.188 1.00 0.64 C ATOM 1517 CD1 TYR A 99 4.205 -3.643 -6.533 1.00 1.20 C ATOM 1518 CD2 TYR A 99 2.520 -2.923 -4.942 1.00 1.58 C ATOM 1519 CE1 TYR A 99 5.211 -3.276 -5.632 1.00 1.49 C ATOM 1520 CE2 TYR A 99 3.528 -2.562 -4.040 1.00 2.05 C ATOM 1521 CZ TYR A 99 4.870 -2.700 -4.400 1.00 1.70 C ATOM 1522 OH TYR A 99 5.860 -2.391 -3.490 1.00 2.27 O ATOM 0 H TYR A 99 0.067 -2.683 -8.563 1.00 0.45 H new ATOM 0 HA TYR A 99 3.078 -2.831 -8.567 1.00 0.46 H new ATOM 0 HB2 TYR A 99 0.810 -3.486 -6.822 1.00 0.52 H new ATOM 0 HB3 TYR A 99 1.687 -4.957 -7.193 1.00 0.52 H new ATOM 0 HD1 TYR A 99 4.466 -4.062 -7.494 1.00 1.20 H new ATOM 0 HD2 TYR A 99 1.482 -2.782 -4.678 1.00 1.58 H new ATOM 0 HE1 TYR A 99 6.249 -3.436 -5.885 1.00 1.49 H new ATOM 0 HE2 TYR A 99 3.267 -2.177 -3.065 1.00 2.05 H new ATOM 0 HH TYR A 99 6.710 -2.267 -3.961 1.00 2.27 H new ATOM 1532 N THR A 100 3.218 -4.524 -10.335 1.00 0.60 N ATOM 1533 CA THR A 100 3.334 -5.605 -11.357 1.00 0.72 C ATOM 1534 C THR A 100 4.118 -6.790 -10.786 1.00 0.83 C ATOM 1535 O THR A 100 4.742 -7.540 -11.510 1.00 1.71 O ATOM 1536 CB THR A 100 4.098 -4.969 -12.520 1.00 0.93 C ATOM 1537 OG1 THR A 100 5.404 -4.613 -12.089 1.00 1.36 O ATOM 1538 CG2 THR A 100 3.356 -3.719 -12.997 1.00 1.13 C ATOM 0 H THR A 100 4.007 -3.879 -10.294 1.00 0.60 H new ATOM 0 HA THR A 100 2.361 -5.987 -11.667 1.00 0.72 H new ATOM 0 HB THR A 100 4.169 -5.682 -13.342 1.00 0.93 H new ATOM 0 HG1 THR A 100 5.895 -4.207 -12.834 1.00 1.36 H new ATOM 0 HG21 THR A 100 3.901 -3.266 -13.826 1.00 1.13 H new ATOM 0 HG22 THR A 100 2.355 -3.994 -13.328 1.00 1.13 H new ATOM 0 HG23 THR A 100 3.283 -3.004 -12.177 1.00 1.13 H new ATOM 1546 N ALA A 101 4.091 -6.964 -9.493 1.00 0.83 N ATOM 1547 CA ALA A 101 4.834 -8.100 -8.878 1.00 1.01 C ATOM 1548 C ALA A 101 3.854 -9.098 -8.255 1.00 1.36 C ATOM 1549 O ALA A 101 2.683 -9.118 -8.577 1.00 1.98 O ATOM 1550 CB ALA A 101 5.708 -7.462 -7.798 1.00 0.87 C ATOM 0 H ALA A 101 3.587 -6.369 -8.836 1.00 0.83 H new ATOM 0 HA ALA A 101 5.426 -8.651 -9.609 1.00 1.01 H new ATOM 0 HB1 ALA A 101 6.289 -8.236 -7.296 1.00 0.87 H new ATOM 0 HB2 ALA A 101 6.384 -6.740 -8.256 1.00 0.87 H new ATOM 0 HB3 ALA A 101 5.075 -6.955 -7.070 1.00 0.87 H new ATOM 1556 N GLY A 102 4.325 -9.928 -7.364 1.00 1.17 N ATOM 1557 CA GLY A 102 3.420 -10.923 -6.722 1.00 1.71 C ATOM 1558 C GLY A 102 4.229 -12.145 -6.284 1.00 1.08 C ATOM 1559 O GLY A 102 4.208 -13.178 -6.924 1.00 1.27 O ATOM 0 H GLY A 102 5.296 -9.960 -7.053 1.00 1.17 H new ATOM 0 HA2 GLY A 102 2.923 -10.475 -5.861 1.00 1.71 H new ATOM 0 HA3 GLY A 102 2.639 -11.223 -7.420 1.00 1.71 H new ATOM 1563 N ARG A 103 4.944 -12.037 -5.197 1.00 0.90 N ATOM 1564 CA ARG A 103 5.754 -13.194 -4.719 1.00 1.11 C ATOM 1565 C ARG A 103 6.050 -13.057 -3.225 1.00 0.94 C ATOM 1566 O ARG A 103 5.928 -13.998 -2.467 1.00 1.04 O ATOM 1567 CB ARG A 103 7.047 -13.136 -5.531 1.00 1.71 C ATOM 1568 CG ARG A 103 7.749 -14.494 -5.468 1.00 2.44 C ATOM 1569 CD ARG A 103 8.874 -14.539 -6.504 1.00 3.16 C ATOM 1570 NE ARG A 103 8.825 -15.917 -7.064 1.00 3.73 N ATOM 1571 CZ ARG A 103 8.295 -16.127 -8.238 1.00 4.34 C ATOM 1572 NH1 ARG A 103 7.192 -15.516 -8.574 1.00 4.84 N ATOM 1573 NH2 ARG A 103 8.869 -16.947 -9.075 1.00 4.81 N ATOM 0 H ARG A 103 5.002 -11.198 -4.620 1.00 0.90 H new ATOM 0 HA ARG A 103 5.233 -14.142 -4.850 1.00 1.11 H new ATOM 0 HB2 ARG A 103 6.828 -12.876 -6.566 1.00 1.71 H new ATOM 0 HB3 ARG A 103 7.701 -12.358 -5.138 1.00 1.71 H new ATOM 0 HG2 ARG A 103 8.154 -14.659 -4.470 1.00 2.44 H new ATOM 0 HG3 ARG A 103 7.033 -15.294 -5.658 1.00 2.44 H new ATOM 0 HD2 ARG A 103 8.724 -13.791 -7.282 1.00 3.16 H new ATOM 0 HD3 ARG A 103 9.841 -14.333 -6.046 1.00 3.16 H new ATOM 0 HE ARG A 103 9.206 -16.698 -6.530 1.00 3.73 H new ATOM 0 HH11 ARG A 103 6.744 -14.875 -7.919 1.00 4.84 H new ATOM 0 HH12 ARG A 103 6.777 -15.680 -9.491 1.00 4.84 H new ATOM 0 HH21 ARG A 103 9.732 -17.424 -8.812 1.00 4.81 H new ATOM 0 HH22 ARG A 103 8.455 -17.111 -9.993 1.00 4.81 H new ATOM 1587 N GLU A 104 6.438 -11.889 -2.797 1.00 0.75 N ATOM 1588 CA GLU A 104 6.743 -11.686 -1.351 1.00 0.66 C ATOM 1589 C GLU A 104 7.077 -10.218 -1.077 1.00 0.56 C ATOM 1590 O GLU A 104 7.158 -9.409 -1.979 1.00 0.57 O ATOM 1591 CB GLU A 104 7.958 -12.572 -1.071 1.00 0.79 C ATOM 1592 CG GLU A 104 9.089 -12.204 -2.033 1.00 1.59 C ATOM 1593 CD GLU A 104 10.434 -12.578 -1.407 1.00 1.87 C ATOM 1594 OE1 GLU A 104 10.752 -12.028 -0.364 1.00 2.51 O ATOM 1595 OE2 GLU A 104 11.122 -13.407 -1.978 1.00 2.04 O ATOM 0 H GLU A 104 6.558 -11.064 -3.385 1.00 0.75 H new ATOM 0 HA GLU A 104 5.896 -11.942 -0.714 1.00 0.66 H new ATOM 0 HB2 GLU A 104 8.286 -12.442 -0.040 1.00 0.79 H new ATOM 0 HB3 GLU A 104 7.691 -13.622 -1.191 1.00 0.79 H new ATOM 0 HG2 GLU A 104 8.959 -12.727 -2.981 1.00 1.59 H new ATOM 0 HG3 GLU A 104 9.062 -11.136 -2.251 1.00 1.59 H new ATOM 1602 N ALA A 105 7.268 -9.870 0.168 1.00 0.50 N ATOM 1603 CA ALA A 105 7.595 -8.453 0.518 1.00 0.44 C ATOM 1604 C ALA A 105 8.701 -7.906 -0.393 1.00 0.45 C ATOM 1605 O ALA A 105 8.779 -6.720 -0.646 1.00 0.47 O ATOM 1606 CB ALA A 105 8.079 -8.506 1.967 1.00 0.47 C ATOM 0 H ALA A 105 7.212 -10.508 0.962 1.00 0.50 H new ATOM 0 HA ALA A 105 6.734 -7.796 0.392 1.00 0.44 H new ATOM 0 HB1 ALA A 105 8.340 -7.502 2.300 1.00 0.47 H new ATOM 0 HB2 ALA A 105 7.287 -8.905 2.601 1.00 0.47 H new ATOM 0 HB3 ALA A 105 8.956 -9.150 2.034 1.00 0.47 H new ATOM 1612 N ASP A 106 9.555 -8.760 -0.887 1.00 0.51 N ATOM 1613 CA ASP A 106 10.652 -8.281 -1.777 1.00 0.56 C ATOM 1614 C ASP A 106 10.070 -7.721 -3.074 1.00 0.54 C ATOM 1615 O ASP A 106 10.489 -6.694 -3.561 1.00 0.64 O ATOM 1616 CB ASP A 106 11.509 -9.515 -2.064 1.00 0.67 C ATOM 1617 CG ASP A 106 12.346 -9.854 -0.828 1.00 1.18 C ATOM 1618 OD1 ASP A 106 11.817 -9.754 0.266 1.00 1.82 O ATOM 1619 OD2 ASP A 106 13.501 -10.209 -0.999 1.00 2.02 O ATOM 0 H ASP A 106 9.542 -9.765 -0.714 1.00 0.51 H new ATOM 0 HA ASP A 106 11.235 -7.483 -1.316 1.00 0.56 H new ATOM 0 HB2 ASP A 106 10.872 -10.360 -2.328 1.00 0.67 H new ATOM 0 HB3 ASP A 106 12.161 -9.328 -2.917 1.00 0.67 H new ATOM 1624 N ASP A 107 9.096 -8.380 -3.630 1.00 0.50 N ATOM 1625 CA ASP A 107 8.485 -7.873 -4.891 1.00 0.52 C ATOM 1626 C ASP A 107 7.877 -6.485 -4.661 1.00 0.51 C ATOM 1627 O ASP A 107 7.585 -5.762 -5.592 1.00 0.63 O ATOM 1628 CB ASP A 107 7.395 -8.886 -5.237 1.00 0.55 C ATOM 1629 CG ASP A 107 7.815 -9.688 -6.470 1.00 0.76 C ATOM 1630 OD1 ASP A 107 8.999 -9.948 -6.608 1.00 1.39 O ATOM 1631 OD2 ASP A 107 6.946 -10.028 -7.255 1.00 1.41 O ATOM 0 H ASP A 107 8.696 -9.246 -3.269 1.00 0.50 H new ATOM 0 HA ASP A 107 9.215 -7.771 -5.694 1.00 0.52 H new ATOM 0 HB2 ASP A 107 7.226 -9.556 -4.394 1.00 0.55 H new ATOM 0 HB3 ASP A 107 6.453 -8.371 -5.428 1.00 0.55 H new ATOM 1636 N ILE A 108 7.675 -6.116 -3.425 1.00 0.46 N ATOM 1637 CA ILE A 108 7.075 -4.788 -3.125 1.00 0.52 C ATOM 1638 C ILE A 108 8.169 -3.757 -2.813 1.00 0.50 C ATOM 1639 O ILE A 108 8.249 -2.712 -3.432 1.00 0.52 O ATOM 1640 CB ILE A 108 6.198 -5.061 -1.900 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.035 -5.961 -2.327 1.00 0.73 C ATOM 1642 CG2 ILE A 108 5.653 -3.749 -1.323 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.100 -6.193 -1.144 1.00 0.68 C ATOM 0 H ILE A 108 7.902 -6.682 -2.607 1.00 0.46 H new ATOM 0 HA ILE A 108 6.510 -4.372 -3.959 1.00 0.52 H new ATOM 0 HB ILE A 108 6.793 -5.551 -1.129 1.00 0.60 H new ATOM 0 HG12 ILE A 108 4.488 -5.499 -3.149 1.00 0.73 H new ATOM 0 HG13 ILE A 108 5.416 -6.914 -2.693 1.00 0.73 H new ATOM 0 HG21 ILE A 108 5.032 -3.964 -0.453 1.00 0.67 H new ATOM 0 HG22 ILE A 108 6.484 -3.109 -1.026 1.00 0.67 H new ATOM 0 HG23 ILE A 108 5.055 -3.240 -2.079 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.274 -6.834 -1.453 1.00 0.68 H new ATOM 0 HD12 ILE A 108 4.649 -6.674 -0.335 1.00 0.68 H new ATOM 0 HD13 ILE A 108 3.707 -5.237 -0.798 1.00 0.68 H new ATOM 1655 N VAL A 109 9.009 -4.041 -1.859 1.00 0.51 N ATOM 1656 CA VAL A 109 10.087 -3.073 -1.511 1.00 0.56 C ATOM 1657 C VAL A 109 11.073 -2.942 -2.669 1.00 0.51 C ATOM 1658 O VAL A 109 11.619 -1.890 -2.912 1.00 0.55 O ATOM 1659 CB VAL A 109 10.778 -3.667 -0.284 1.00 0.67 C ATOM 1660 CG1 VAL A 109 11.951 -2.771 0.123 1.00 0.81 C ATOM 1661 CG2 VAL A 109 9.779 -3.758 0.872 1.00 0.86 C ATOM 0 H VAL A 109 8.997 -4.898 -1.306 1.00 0.51 H new ATOM 0 HA VAL A 109 9.695 -2.076 -1.313 1.00 0.56 H new ATOM 0 HB VAL A 109 11.147 -4.664 -0.522 1.00 0.67 H new ATOM 0 HG11 VAL A 109 12.445 -3.193 0.998 1.00 0.81 H new ATOM 0 HG12 VAL A 109 12.663 -2.707 -0.700 1.00 0.81 H new ATOM 0 HG13 VAL A 109 11.581 -1.774 0.361 1.00 0.81 H new ATOM 0 HG21 VAL A 109 10.272 -4.182 1.747 1.00 0.86 H new ATOM 0 HG22 VAL A 109 9.408 -2.761 1.112 1.00 0.86 H new ATOM 0 HG23 VAL A 109 8.944 -4.396 0.582 1.00 0.86 H new ATOM 1671 N ASN A 110 11.310 -3.997 -3.382 1.00 0.50 N ATOM 1672 CA ASN A 110 12.263 -3.915 -4.520 1.00 0.52 C ATOM 1673 C ASN A 110 11.687 -3.020 -5.611 1.00 0.50 C ATOM 1674 O ASN A 110 12.391 -2.259 -6.243 1.00 0.59 O ATOM 1675 CB ASN A 110 12.404 -5.350 -5.012 1.00 0.59 C ATOM 1676 CG ASN A 110 13.699 -5.506 -5.808 1.00 0.98 C ATOM 1677 OD1 ASN A 110 14.103 -4.609 -6.521 1.00 1.65 O ATOM 1678 ND2 ASN A 110 14.373 -6.621 -5.713 1.00 1.29 N ATOM 0 H ASN A 110 10.888 -4.913 -3.230 1.00 0.50 H new ATOM 0 HA ASN A 110 13.225 -3.489 -4.236 1.00 0.52 H new ATOM 0 HB2 ASN A 110 12.404 -6.035 -4.164 1.00 0.59 H new ATOM 0 HB3 ASN A 110 11.550 -5.615 -5.636 1.00 0.59 H new ATOM 0 HD21 ASN A 110 15.240 -6.739 -6.238 1.00 1.29 H new ATOM 0 HD22 ASN A 110 14.033 -7.373 -5.114 1.00 1.29 H new ATOM 1685 N TRP A 111 10.409 -3.103 -5.834 1.00 0.46 N ATOM 1686 CA TRP A 111 9.788 -2.253 -6.882 1.00 0.51 C ATOM 1687 C TRP A 111 9.972 -0.773 -6.542 1.00 0.55 C ATOM 1688 O TRP A 111 10.352 0.021 -7.378 1.00 0.66 O ATOM 1689 CB TRP A 111 8.312 -2.622 -6.864 1.00 0.55 C ATOM 1690 CG TRP A 111 7.589 -1.860 -7.927 1.00 0.58 C ATOM 1691 CD1 TRP A 111 7.279 -2.340 -9.154 1.00 0.73 C ATOM 1692 CD2 TRP A 111 7.076 -0.497 -7.879 1.00 0.69 C ATOM 1693 NE1 TRP A 111 6.611 -1.358 -9.862 1.00 0.84 N ATOM 1694 CE2 TRP A 111 6.461 -0.204 -9.120 1.00 0.83 C ATOM 1695 CE3 TRP A 111 7.087 0.504 -6.891 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 5.875 1.038 -9.369 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 6.499 1.756 -7.140 1.00 1.07 C ATOM 1698 CH2 TRP A 111 5.894 2.022 -8.377 1.00 1.14 C ATOM 0 H TRP A 111 9.768 -3.721 -5.337 1.00 0.46 H new ATOM 0 HA TRP A 111 10.238 -2.412 -7.862 1.00 0.51 H new ATOM 0 HB2 TRP A 111 8.193 -3.693 -7.026 1.00 0.55 H new ATOM 0 HB3 TRP A 111 7.883 -2.398 -5.887 1.00 0.55 H new ATOM 0 HD1 TRP A 111 7.515 -3.328 -9.520 1.00 0.73 H new ATOM 0 HE1 TRP A 111 6.270 -1.473 -10.817 1.00 0.84 H new ATOM 0 HE3 TRP A 111 7.550 0.309 -5.935 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 5.410 1.237 -10.323 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 6.513 2.518 -6.374 1.00 1.07 H new ATOM 0 HH2 TRP A 111 5.443 2.986 -8.563 1.00 1.14 H new ATOM 1709 N LEU A 112 9.694 -0.392 -5.325 1.00 0.55 N ATOM 1710 CA LEU A 112 9.847 1.051 -4.960 1.00 0.65 C ATOM 1711 C LEU A 112 11.325 1.437 -4.800 1.00 0.65 C ATOM 1712 O LEU A 112 11.740 2.486 -5.251 1.00 0.75 O ATOM 1713 CB LEU A 112 9.080 1.259 -3.647 1.00 0.74 C ATOM 1714 CG LEU A 112 9.607 0.342 -2.543 1.00 0.86 C ATOM 1715 CD1 LEU A 112 10.746 1.041 -1.799 1.00 1.49 C ATOM 1716 CD2 LEU A 112 8.473 0.035 -1.562 1.00 1.10 C ATOM 0 H LEU A 112 9.372 -1.004 -4.576 1.00 0.55 H new ATOM 0 HA LEU A 112 9.449 1.688 -5.750 1.00 0.65 H new ATOM 0 HB2 LEU A 112 9.169 2.299 -3.332 1.00 0.74 H new ATOM 0 HB3 LEU A 112 8.020 1.065 -3.808 1.00 0.74 H new ATOM 0 HG LEU A 112 9.976 -0.585 -2.982 1.00 0.86 H new ATOM 0 HD11 LEU A 112 11.122 0.387 -1.012 1.00 1.49 H new ATOM 0 HD12 LEU A 112 11.551 1.268 -2.497 1.00 1.49 H new ATOM 0 HD13 LEU A 112 10.378 1.967 -1.357 1.00 1.49 H new ATOM 0 HD21 LEU A 112 8.842 -0.619 -0.772 1.00 1.10 H new ATOM 0 HD22 LEU A 112 8.110 0.964 -1.124 1.00 1.10 H new ATOM 0 HD23 LEU A 112 7.658 -0.460 -2.091 1.00 1.10 H new ATOM 1728 N LYS A 113 12.125 0.619 -4.166 1.00 0.62 N ATOM 1729 CA LYS A 113 13.566 0.991 -4.002 1.00 0.70 C ATOM 1730 C LYS A 113 14.282 0.963 -5.356 1.00 0.75 C ATOM 1731 O LYS A 113 15.299 1.602 -5.542 1.00 1.01 O ATOM 1732 CB LYS A 113 14.164 -0.056 -3.062 1.00 0.79 C ATOM 1733 CG LYS A 113 14.763 0.639 -1.838 1.00 1.42 C ATOM 1734 CD LYS A 113 14.865 -0.361 -0.685 1.00 1.84 C ATOM 1735 CE LYS A 113 15.037 0.396 0.633 1.00 2.39 C ATOM 1736 NZ LYS A 113 16.498 0.665 0.735 1.00 2.86 N ATOM 0 H LYS A 113 11.851 -0.276 -3.760 1.00 0.62 H new ATOM 0 HA LYS A 113 13.676 1.999 -3.601 1.00 0.70 H new ATOM 0 HB2 LYS A 113 13.395 -0.763 -2.752 1.00 0.79 H new ATOM 0 HB3 LYS A 113 14.933 -0.629 -3.581 1.00 0.79 H new ATOM 0 HG2 LYS A 113 15.749 1.036 -2.078 1.00 1.42 H new ATOM 0 HG3 LYS A 113 14.141 1.485 -1.546 1.00 1.42 H new ATOM 0 HD2 LYS A 113 13.969 -0.981 -0.647 1.00 1.84 H new ATOM 0 HD3 LYS A 113 15.710 -1.031 -0.845 1.00 1.84 H new ATOM 0 HE2 LYS A 113 14.464 1.323 0.633 1.00 2.39 H new ATOM 0 HE3 LYS A 113 14.685 -0.197 1.477 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 16.695 1.183 1.615 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 17.017 -0.236 0.739 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 16.803 1.237 -0.078 1.00 2.86 H new ATOM 1750 N LYS A 114 13.764 0.229 -6.302 1.00 0.71 N ATOM 1751 CA LYS A 114 14.422 0.167 -7.639 1.00 0.89 C ATOM 1752 C LYS A 114 14.510 1.565 -8.258 1.00 1.07 C ATOM 1753 O LYS A 114 15.282 1.804 -9.165 1.00 1.31 O ATOM 1754 CB LYS A 114 13.524 -0.737 -8.484 1.00 0.92 C ATOM 1755 CG LYS A 114 14.072 -0.811 -9.911 1.00 1.45 C ATOM 1756 CD LYS A 114 13.178 -1.721 -10.754 1.00 1.77 C ATOM 1757 CE LYS A 114 12.164 -0.871 -11.525 1.00 2.49 C ATOM 1758 NZ LYS A 114 12.327 -1.275 -12.950 1.00 3.00 N ATOM 0 H LYS A 114 12.916 -0.329 -6.208 1.00 0.71 H new ATOM 0 HA LYS A 114 15.441 -0.214 -7.576 1.00 0.89 H new ATOM 0 HB2 LYS A 114 13.481 -1.735 -8.048 1.00 0.92 H new ATOM 0 HB3 LYS A 114 12.505 -0.349 -8.494 1.00 0.92 H new ATOM 0 HG2 LYS A 114 14.110 0.186 -10.349 1.00 1.45 H new ATOM 0 HG3 LYS A 114 15.092 -1.194 -9.901 1.00 1.45 H new ATOM 0 HD2 LYS A 114 13.785 -2.302 -11.449 1.00 1.77 H new ATOM 0 HD3 LYS A 114 12.658 -2.433 -10.113 1.00 1.77 H new ATOM 0 HE2 LYS A 114 11.148 -1.056 -11.176 1.00 2.49 H new ATOM 0 HE3 LYS A 114 12.359 0.193 -11.392 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 11.664 -0.735 -13.542 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 13.302 -1.081 -13.256 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 12.129 -2.291 -13.048 1.00 3.00 H new ATOM 1772 N ARG A 115 13.723 2.492 -7.779 1.00 1.09 N ATOM 1773 CA ARG A 115 13.763 3.871 -8.346 1.00 1.40 C ATOM 1774 C ARG A 115 14.901 4.674 -7.713 1.00 1.25 C ATOM 1775 O ARG A 115 15.722 5.252 -8.398 1.00 1.55 O ATOM 1776 CB ARG A 115 12.409 4.486 -7.989 1.00 1.86 C ATOM 1777 CG ARG A 115 11.287 3.633 -8.581 1.00 2.43 C ATOM 1778 CD ARG A 115 10.794 4.269 -9.882 1.00 2.92 C ATOM 1779 NE ARG A 115 9.781 3.317 -10.416 1.00 3.45 N ATOM 1780 CZ ARG A 115 9.508 3.302 -11.692 1.00 3.99 C ATOM 1781 NH1 ARG A 115 10.447 3.032 -12.557 1.00 4.52 N ATOM 1782 NH2 ARG A 115 8.295 3.555 -12.103 1.00 4.34 N ATOM 0 H ARG A 115 13.055 2.354 -7.021 1.00 1.09 H new ATOM 0 HA ARG A 115 13.939 3.868 -9.422 1.00 1.40 H new ATOM 0 HB2 ARG A 115 12.300 4.548 -6.906 1.00 1.86 H new ATOM 0 HB3 ARG A 115 12.348 5.504 -8.374 1.00 1.86 H new ATOM 0 HG2 ARG A 115 11.647 2.622 -8.772 1.00 2.43 H new ATOM 0 HG3 ARG A 115 10.465 3.550 -7.870 1.00 2.43 H new ATOM 0 HD2 ARG A 115 10.356 5.251 -9.700 1.00 2.92 H new ATOM 0 HD3 ARG A 115 11.613 4.411 -10.587 1.00 2.92 H new ATOM 0 HE ARG A 115 9.300 2.676 -9.784 1.00 3.45 H new ATOM 0 HH11 ARG A 115 11.394 2.833 -12.236 1.00 4.52 H new ATOM 0 HH12 ARG A 115 10.234 3.020 -13.554 1.00 4.52 H new ATOM 0 HH21 ARG A 115 7.561 3.764 -11.427 1.00 4.34 H new ATOM 0 HH22 ARG A 115 8.082 3.543 -13.100 1.00 4.34 H new