USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 694 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 Single : A 63 GLN : amide:sc= -2.7! C(o=-2.7!,f=-3.4!) USER MOD Single : A 66 HIS : no HD1:sc= -3.26! C(o=-3.3!,f=-4.7!) USER MOD Single : A 67 HIS : no HD1:sc= -0.315 X(o=-0.32,f=-0.085) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -147:sc= -1.72 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 78:sc= 0.573 USER MOD Single : A 92 SER OG : rot -170:sc= -0.935 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 GLN : amide:sc=-0.00532 X(o=-0.0053,f=0) USER MOD Single : B 66 HIS : no HD1:sc= -0.968 K(o=-0.97,f=-1.5) USER MOD Single : B 67 HIS : no HD1:sc= 0.0254 K(o=0.025,f=-1.6!) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 74 THR OG1 : rot -28:sc= -4.39! USER MOD Single : B 81 MET CE :methyl 154:sc= -0.477 (180deg=-2.01!) USER MOD Single : B 87 THR OG1 : rot 79:sc= -0.789 USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 62 -12.386 8.313 9.893 1.00 18.74 N ATOM 2 CA VAL A 62 -12.206 6.853 10.131 1.00 18.11 C ATOM 3 C VAL A 62 -13.170 6.394 11.227 1.00 17.30 C ATOM 4 O VAL A 62 -12.797 6.247 12.374 1.00 17.26 O ATOM 5 CB VAL A 62 -10.767 6.582 10.575 1.00 18.42 C ATOM 6 CG1 VAL A 62 -10.474 7.362 11.859 1.00 18.58 C ATOM 7 CG2 VAL A 62 -10.589 5.085 10.838 1.00 18.59 C ATOM 0 HA VAL A 62 -12.412 6.307 9.211 1.00 18.11 H new ATOM 0 HB VAL A 62 -10.079 6.899 9.791 1.00 18.42 H new ATOM 0 HG11 VAL A 62 -9.449 7.169 12.176 1.00 18.58 H new ATOM 0 HG12 VAL A 62 -10.602 8.429 11.674 1.00 18.58 H new ATOM 0 HG13 VAL A 62 -11.162 7.044 12.643 1.00 18.58 H new ATOM 0 HG21 VAL A 62 -9.564 4.890 11.154 1.00 18.59 H new ATOM 0 HG22 VAL A 62 -11.277 4.769 11.622 1.00 18.59 H new ATOM 0 HG23 VAL A 62 -10.799 4.528 9.925 1.00 18.59 H new ATOM 19 N GLN A 63 -14.410 6.167 10.884 1.00 16.78 N ATOM 20 CA GLN A 63 -15.394 5.718 11.909 1.00 16.11 C ATOM 21 C GLN A 63 -16.728 5.395 11.234 1.00 15.69 C ATOM 22 O GLN A 63 -16.951 5.723 10.085 1.00 15.68 O ATOM 23 CB GLN A 63 -15.598 6.832 12.938 1.00 16.10 C ATOM 24 CG GLN A 63 -16.355 7.994 12.292 1.00 15.49 C ATOM 25 CD GLN A 63 -15.448 8.691 11.276 1.00 15.09 C ATOM 26 OE1 GLN A 63 -14.345 9.085 11.598 1.00 15.39 O ATOM 27 NE2 GLN A 63 -15.870 8.863 10.054 1.00 14.56 N ATOM 0 H GLN A 63 -14.783 6.273 9.940 1.00 16.78 H new ATOM 0 HA GLN A 63 -15.017 4.825 12.408 1.00 16.11 H new ATOM 0 HB2 GLN A 63 -16.156 6.453 13.794 1.00 16.10 H new ATOM 0 HB3 GLN A 63 -14.634 7.176 13.313 1.00 16.10 H new ATOM 0 HG2 GLN A 63 -17.256 7.627 11.800 1.00 15.49 H new ATOM 0 HG3 GLN A 63 -16.676 8.703 13.056 1.00 15.49 H new ATOM 0 HE21 GLN A 63 -16.796 8.532 9.783 1.00 14.56 H new ATOM 0 HE22 GLN A 63 -15.274 9.328 9.369 1.00 14.56 H new ATOM 36 N LEU A 64 -17.619 4.752 11.940 1.00 15.49 N ATOM 37 CA LEU A 64 -18.939 4.406 11.342 1.00 15.26 C ATOM 38 C LEU A 64 -19.915 5.561 11.557 1.00 14.77 C ATOM 39 O LEU A 64 -20.871 5.448 12.297 1.00 14.94 O ATOM 40 CB LEU A 64 -19.493 3.154 12.022 1.00 15.58 C ATOM 41 CG LEU A 64 -19.968 2.156 10.964 1.00 15.97 C ATOM 42 CD1 LEU A 64 -21.121 2.766 10.166 1.00 16.71 C ATOM 43 CD2 LEU A 64 -18.811 1.825 10.018 1.00 16.05 C ATOM 0 H LEU A 64 -17.489 4.451 12.906 1.00 15.49 H new ATOM 0 HA LEU A 64 -18.814 4.223 10.275 1.00 15.26 H new ATOM 0 HB2 LEU A 64 -18.725 2.698 12.646 1.00 15.58 H new ATOM 0 HB3 LEU A 64 -20.320 3.422 12.679 1.00 15.58 H new ATOM 0 HG LEU A 64 -20.309 1.244 11.454 1.00 15.97 H new ATOM 0 HD11 LEU A 64 -21.459 2.054 9.413 1.00 16.71 H new ATOM 0 HD12 LEU A 64 -21.946 3.000 10.839 1.00 16.71 H new ATOM 0 HD13 LEU A 64 -20.782 3.679 9.677 1.00 16.71 H new ATOM 0 HD21 LEU A 64 -19.149 1.114 9.264 1.00 16.05 H new ATOM 0 HD22 LEU A 64 -18.469 2.737 9.529 1.00 16.05 H new ATOM 0 HD23 LEU A 64 -17.990 1.388 10.586 1.00 16.05 H new ATOM 55 N ALA A 65 -19.687 6.673 10.918 1.00 14.32 N ATOM 56 CA ALA A 65 -20.611 7.826 11.095 1.00 14.03 C ATOM 57 C ALA A 65 -21.392 8.059 9.801 1.00 13.34 C ATOM 58 O ALA A 65 -22.394 8.747 9.783 1.00 13.29 O ATOM 59 CB ALA A 65 -19.803 9.080 11.438 1.00 14.31 C ATOM 0 H ALA A 65 -18.905 6.833 10.284 1.00 14.32 H new ATOM 0 HA ALA A 65 -21.308 7.611 11.905 1.00 14.03 H new ATOM 0 HB1 ALA A 65 -20.480 9.925 11.568 1.00 14.31 H new ATOM 0 HB2 ALA A 65 -19.248 8.914 12.362 1.00 14.31 H new ATOM 0 HB3 ALA A 65 -19.105 9.295 10.629 1.00 14.31 H new ATOM 65 N HIS A 66 -20.944 7.487 8.717 1.00 12.98 N ATOM 66 CA HIS A 66 -21.659 7.671 7.423 1.00 12.48 C ATOM 67 C HIS A 66 -21.205 6.596 6.434 1.00 11.62 C ATOM 68 O HIS A 66 -20.759 6.890 5.342 1.00 11.76 O ATOM 69 CB HIS A 66 -21.342 9.058 6.857 1.00 12.81 C ATOM 70 CG HIS A 66 -22.322 10.060 7.404 1.00 13.36 C ATOM 71 ND1 HIS A 66 -22.050 10.823 8.529 1.00 13.57 N ATOM 72 CD2 HIS A 66 -23.578 10.434 6.993 1.00 13.93 C ATOM 73 CE1 HIS A 66 -23.118 11.610 8.754 1.00 14.23 C ATOM 74 NE2 HIS A 66 -24.079 11.413 7.846 1.00 14.47 N ATOM 0 H HIS A 66 -20.112 6.899 8.672 1.00 12.98 H new ATOM 0 HA HIS A 66 -22.734 7.584 7.584 1.00 12.48 H new ATOM 0 HB2 HIS A 66 -20.325 9.347 7.122 1.00 12.81 H new ATOM 0 HB3 HIS A 66 -21.395 9.039 5.768 1.00 12.81 H new ATOM 0 HD2 HIS A 66 -24.098 10.030 6.137 1.00 13.93 H new ATOM 0 HE1 HIS A 66 -23.190 12.315 9.569 1.00 14.23 H new ATOM 0 HE2 HIS A 66 -24.984 11.880 7.790 1.00 14.47 H new ATOM 82 N HIS A 67 -21.313 5.350 6.809 1.00 10.90 N ATOM 83 CA HIS A 67 -20.887 4.255 5.892 1.00 10.21 C ATOM 84 C HIS A 67 -21.964 3.169 5.857 1.00 9.43 C ATOM 85 O HIS A 67 -22.772 3.054 6.756 1.00 9.32 O ATOM 86 CB HIS A 67 -19.574 3.650 6.393 1.00 10.37 C ATOM 87 CG HIS A 67 -18.450 4.621 6.156 1.00 10.53 C ATOM 88 ND1 HIS A 67 -18.187 5.156 4.905 1.00 10.58 N ATOM 89 CD2 HIS A 67 -17.509 5.160 6.999 1.00 10.88 C ATOM 90 CE1 HIS A 67 -17.129 5.977 5.028 1.00 10.97 C ATOM 91 NE2 HIS A 67 -16.676 6.016 6.284 1.00 11.15 N ATOM 0 H HIS A 67 -21.678 5.043 7.711 1.00 10.90 H new ATOM 0 HA HIS A 67 -20.744 4.659 4.890 1.00 10.21 H new ATOM 0 HB2 HIS A 67 -19.650 3.418 7.455 1.00 10.37 H new ATOM 0 HB3 HIS A 67 -19.373 2.712 5.876 1.00 10.37 H new ATOM 0 HD2 HIS A 67 -17.428 4.951 8.056 1.00 10.88 H new ATOM 0 HE1 HIS A 67 -16.698 6.537 4.211 1.00 10.97 H new ATOM 0 HE2 HIS A 67 -15.889 6.557 6.642 1.00 11.15 H new ATOM 99 N PHE A 68 -21.981 2.373 4.823 1.00 9.11 N ATOM 100 CA PHE A 68 -23.006 1.295 4.729 1.00 8.55 C ATOM 101 C PHE A 68 -22.715 0.220 5.778 1.00 7.46 C ATOM 102 O PHE A 68 -21.978 0.440 6.719 1.00 7.39 O ATOM 103 CB PHE A 68 -22.961 0.672 3.333 1.00 8.98 C ATOM 104 CG PHE A 68 -24.263 0.941 2.618 1.00 9.76 C ATOM 105 CD1 PHE A 68 -24.924 2.162 2.802 1.00 10.19 C ATOM 106 CD2 PHE A 68 -24.812 -0.030 1.771 1.00 10.29 C ATOM 107 CE1 PHE A 68 -26.131 2.411 2.139 1.00 11.10 C ATOM 108 CE2 PHE A 68 -26.019 0.219 1.109 1.00 11.19 C ATOM 109 CZ PHE A 68 -26.679 1.440 1.293 1.00 11.57 C ATOM 0 H PHE A 68 -21.330 2.422 4.040 1.00 9.11 H new ATOM 0 HA PHE A 68 -23.995 1.717 4.908 1.00 8.55 H new ATOM 0 HB2 PHE A 68 -22.129 1.088 2.764 1.00 8.98 H new ATOM 0 HB3 PHE A 68 -22.790 -0.402 3.408 1.00 8.98 H new ATOM 0 HD1 PHE A 68 -24.502 2.911 3.455 1.00 10.19 H new ATOM 0 HD2 PHE A 68 -24.303 -0.972 1.629 1.00 10.29 H new ATOM 0 HE1 PHE A 68 -26.640 3.353 2.280 1.00 11.10 H new ATOM 0 HE2 PHE A 68 -26.442 -0.530 0.456 1.00 11.19 H new ATOM 0 HZ PHE A 68 -27.611 1.633 0.782 1.00 11.57 H new ATOM 119 N SER A 69 -23.288 -0.944 5.623 1.00 6.86 N ATOM 120 CA SER A 69 -23.045 -2.032 6.613 1.00 6.01 C ATOM 121 C SER A 69 -21.996 -3.000 6.062 1.00 5.07 C ATOM 122 O SER A 69 -22.005 -3.346 4.897 1.00 5.28 O ATOM 123 CB SER A 69 -24.349 -2.787 6.870 1.00 6.54 C ATOM 124 OG SER A 69 -24.625 -2.782 8.264 1.00 7.08 O ATOM 0 H SER A 69 -23.913 -1.188 4.855 1.00 6.86 H new ATOM 0 HA SER A 69 -22.685 -1.599 7.546 1.00 6.01 H new ATOM 0 HB2 SER A 69 -25.168 -2.319 6.323 1.00 6.54 H new ATOM 0 HB3 SER A 69 -24.268 -3.812 6.507 1.00 6.54 H new ATOM 0 HG SER A 69 -25.461 -3.264 8.434 1.00 7.08 H new ATOM 130 N GLU A 70 -21.090 -3.440 6.892 1.00 4.41 N ATOM 131 CA GLU A 70 -20.041 -4.386 6.418 1.00 3.84 C ATOM 132 C GLU A 70 -19.450 -3.874 5.100 1.00 2.84 C ATOM 133 O GLU A 70 -19.681 -4.451 4.055 1.00 3.00 O ATOM 134 CB GLU A 70 -20.662 -5.767 6.197 1.00 4.55 C ATOM 135 CG GLU A 70 -20.187 -6.722 7.293 1.00 5.41 C ATOM 136 CD GLU A 70 -21.374 -7.125 8.171 1.00 6.00 C ATOM 137 OE1 GLU A 70 -22.402 -7.480 7.618 1.00 6.28 O ATOM 138 OE2 GLU A 70 -21.233 -7.074 9.383 1.00 6.49 O ATOM 0 H GLU A 70 -21.031 -3.185 7.878 1.00 4.41 H new ATOM 0 HA GLU A 70 -19.252 -4.459 7.166 1.00 3.84 H new ATOM 0 HB2 GLU A 70 -21.750 -5.695 6.209 1.00 4.55 H new ATOM 0 HB3 GLU A 70 -20.379 -6.152 5.217 1.00 4.55 H new ATOM 0 HG2 GLU A 70 -19.734 -7.607 6.847 1.00 5.41 H new ATOM 0 HG3 GLU A 70 -19.419 -6.242 7.900 1.00 5.41 H new ATOM 145 N PRO A 71 -18.703 -2.803 5.191 1.00 2.18 N ATOM 146 CA PRO A 71 -18.062 -2.189 4.014 1.00 1.51 C ATOM 147 C PRO A 71 -17.110 -3.188 3.350 1.00 1.23 C ATOM 148 O PRO A 71 -15.946 -3.268 3.689 1.00 1.13 O ATOM 149 CB PRO A 71 -17.283 -0.991 4.572 1.00 1.87 C ATOM 150 CG PRO A 71 -17.525 -0.941 6.102 1.00 2.49 C ATOM 151 CD PRO A 71 -18.436 -2.121 6.471 1.00 2.65 C ATOM 0 HA PRO A 71 -18.785 -1.889 3.256 1.00 1.51 H new ATOM 0 HB2 PRO A 71 -16.219 -1.093 4.356 1.00 1.87 H new ATOM 0 HB3 PRO A 71 -17.616 -0.066 4.102 1.00 1.87 H new ATOM 0 HG2 PRO A 71 -16.580 -1.005 6.641 1.00 2.49 H new ATOM 0 HG3 PRO A 71 -17.990 0.004 6.385 1.00 2.49 H new ATOM 0 HD2 PRO A 71 -17.950 -2.789 7.182 1.00 2.65 H new ATOM 0 HD3 PRO A 71 -19.360 -1.778 6.937 1.00 2.65 H new ATOM 159 N GLU A 72 -17.594 -3.950 2.408 1.00 1.29 N ATOM 160 CA GLU A 72 -16.709 -4.941 1.728 1.00 1.13 C ATOM 161 C GLU A 72 -15.611 -4.202 0.955 1.00 1.00 C ATOM 162 O GLU A 72 -14.564 -3.898 1.491 1.00 0.97 O ATOM 163 CB GLU A 72 -17.528 -5.808 0.762 1.00 1.32 C ATOM 164 CG GLU A 72 -18.662 -4.985 0.144 1.00 1.94 C ATOM 165 CD GLU A 72 -18.944 -5.491 -1.272 1.00 2.47 C ATOM 166 OE1 GLU A 72 -19.284 -6.655 -1.408 1.00 3.01 O ATOM 167 OE2 GLU A 72 -18.814 -4.707 -2.198 1.00 2.89 O ATOM 0 H GLU A 72 -18.560 -3.931 2.080 1.00 1.29 H new ATOM 0 HA GLU A 72 -16.254 -5.586 2.480 1.00 1.13 H new ATOM 0 HB2 GLU A 72 -16.882 -6.199 -0.024 1.00 1.32 H new ATOM 0 HB3 GLU A 72 -17.939 -6.667 1.292 1.00 1.32 H new ATOM 0 HG2 GLU A 72 -19.560 -5.066 0.756 1.00 1.94 H new ATOM 0 HG3 GLU A 72 -18.388 -3.930 0.117 1.00 1.94 H new ATOM 174 N ILE A 73 -15.837 -3.912 -0.298 1.00 0.99 N ATOM 175 CA ILE A 73 -14.808 -3.198 -1.095 1.00 0.91 C ATOM 176 C ILE A 73 -14.228 -2.048 -0.268 1.00 0.80 C ATOM 177 O ILE A 73 -13.068 -1.706 -0.389 1.00 0.74 O ATOM 178 CB ILE A 73 -15.454 -2.652 -2.372 1.00 1.03 C ATOM 179 CG1 ILE A 73 -14.361 -2.304 -3.375 1.00 1.05 C ATOM 180 CG2 ILE A 73 -16.272 -1.398 -2.053 1.00 1.28 C ATOM 181 CD1 ILE A 73 -14.252 -3.422 -4.414 1.00 1.48 C ATOM 0 H ILE A 73 -16.694 -4.141 -0.802 1.00 0.99 H new ATOM 0 HA ILE A 73 -14.003 -3.883 -1.361 1.00 0.91 H new ATOM 0 HB ILE A 73 -16.116 -3.409 -2.792 1.00 1.03 H new ATOM 0 HG12 ILE A 73 -14.589 -1.358 -3.865 1.00 1.05 H new ATOM 0 HG13 ILE A 73 -13.408 -2.175 -2.862 1.00 1.05 H new ATOM 0 HG21 ILE A 73 -16.727 -1.018 -2.968 1.00 1.28 H new ATOM 0 HG22 ILE A 73 -17.054 -1.646 -1.335 1.00 1.28 H new ATOM 0 HG23 ILE A 73 -15.619 -0.636 -1.629 1.00 1.28 H new ATOM 0 HD11 ILE A 73 -13.471 -3.176 -5.133 1.00 1.48 H new ATOM 0 HD12 ILE A 73 -14.004 -4.359 -3.915 1.00 1.48 H new ATOM 0 HD13 ILE A 73 -15.204 -3.529 -4.935 1.00 1.48 H new ATOM 193 N THR A 74 -15.025 -1.447 0.571 1.00 0.81 N ATOM 194 CA THR A 74 -14.518 -0.321 1.405 1.00 0.76 C ATOM 195 C THR A 74 -13.420 -0.835 2.340 1.00 0.68 C ATOM 196 O THR A 74 -12.370 -0.236 2.465 1.00 0.62 O ATOM 197 CB THR A 74 -15.665 0.264 2.232 1.00 0.86 C ATOM 198 OG1 THR A 74 -16.863 -0.447 1.948 1.00 1.35 O ATOM 199 CG2 THR A 74 -15.848 1.740 1.878 1.00 1.19 C ATOM 0 H THR A 74 -16.006 -1.687 0.715 1.00 0.81 H new ATOM 0 HA THR A 74 -14.110 0.455 0.758 1.00 0.76 H new ATOM 0 HB THR A 74 -15.433 0.173 3.293 1.00 0.86 H new ATOM 0 HG1 THR A 74 -17.628 0.162 2.011 1.00 1.35 H new ATOM 0 HG21 THR A 74 -16.665 2.157 2.467 1.00 1.19 H new ATOM 0 HG22 THR A 74 -14.929 2.283 2.097 1.00 1.19 H new ATOM 0 HG23 THR A 74 -16.081 1.834 0.817 1.00 1.19 H new ATOM 207 N LEU A 75 -13.655 -1.938 2.999 1.00 0.72 N ATOM 208 CA LEU A 75 -12.620 -2.483 3.926 1.00 0.69 C ATOM 209 C LEU A 75 -11.444 -3.026 3.118 1.00 0.58 C ATOM 210 O LEU A 75 -10.301 -2.748 3.419 1.00 0.50 O ATOM 211 CB LEU A 75 -13.216 -3.610 4.776 1.00 0.82 C ATOM 212 CG LEU A 75 -12.488 -3.679 6.123 1.00 0.88 C ATOM 213 CD1 LEU A 75 -12.809 -5.007 6.810 1.00 0.87 C ATOM 214 CD2 LEU A 75 -10.977 -3.576 5.898 1.00 1.02 C ATOM 0 H LEU A 75 -14.515 -2.483 2.936 1.00 0.72 H new ATOM 0 HA LEU A 75 -12.276 -1.683 4.582 1.00 0.69 H new ATOM 0 HB2 LEU A 75 -14.280 -3.435 4.935 1.00 0.82 H new ATOM 0 HB3 LEU A 75 -13.124 -4.562 4.252 1.00 0.82 H new ATOM 0 HG LEU A 75 -12.818 -2.853 6.753 1.00 0.88 H new ATOM 0 HD11 LEU A 75 -12.291 -5.056 7.768 1.00 0.87 H new ATOM 0 HD12 LEU A 75 -13.884 -5.081 6.975 1.00 0.87 H new ATOM 0 HD13 LEU A 75 -12.481 -5.832 6.178 1.00 0.87 H new ATOM 0 HD21 LEU A 75 -10.462 -3.625 6.857 1.00 1.02 H new ATOM 0 HD22 LEU A 75 -10.646 -4.400 5.266 1.00 1.02 H new ATOM 0 HD23 LEU A 75 -10.745 -2.629 5.410 1.00 1.02 H new ATOM 226 N ILE A 76 -11.701 -3.795 2.096 1.00 0.62 N ATOM 227 CA ILE A 76 -10.567 -4.329 1.297 1.00 0.57 C ATOM 228 C ILE A 76 -9.741 -3.150 0.792 1.00 0.45 C ATOM 229 O ILE A 76 -8.533 -3.125 0.920 1.00 0.38 O ATOM 230 CB ILE A 76 -11.104 -5.129 0.109 1.00 0.69 C ATOM 231 CG1 ILE A 76 -12.038 -6.228 0.622 1.00 0.91 C ATOM 232 CG2 ILE A 76 -9.935 -5.761 -0.645 1.00 0.76 C ATOM 233 CD1 ILE A 76 -12.803 -6.839 -0.553 1.00 1.10 C ATOM 0 H ILE A 76 -12.632 -4.072 1.785 1.00 0.62 H new ATOM 0 HA ILE A 76 -9.950 -4.985 1.911 1.00 0.57 H new ATOM 0 HB ILE A 76 -11.653 -4.469 -0.562 1.00 0.69 H new ATOM 0 HG12 ILE A 76 -11.462 -6.999 1.135 1.00 0.91 H new ATOM 0 HG13 ILE A 76 -12.737 -5.815 1.349 1.00 0.91 H new ATOM 0 HG21 ILE A 76 -10.315 -6.332 -1.492 1.00 0.76 H new ATOM 0 HG22 ILE A 76 -9.268 -4.978 -1.005 1.00 0.76 H new ATOM 0 HG23 ILE A 76 -9.387 -6.425 0.024 1.00 0.76 H new ATOM 0 HD11 ILE A 76 -13.468 -7.621 -0.187 1.00 1.10 H new ATOM 0 HD12 ILE A 76 -13.391 -6.065 -1.046 1.00 1.10 H new ATOM 0 HD13 ILE A 76 -12.096 -7.267 -1.264 1.00 1.10 H new ATOM 245 N ILE A 77 -10.386 -2.157 0.246 1.00 0.44 N ATOM 246 CA ILE A 77 -9.640 -0.964 -0.232 1.00 0.36 C ATOM 247 C ILE A 77 -8.857 -0.377 0.944 1.00 0.28 C ATOM 248 O ILE A 77 -7.687 -0.070 0.839 1.00 0.25 O ATOM 249 CB ILE A 77 -10.626 0.077 -0.768 1.00 0.39 C ATOM 250 CG1 ILE A 77 -11.129 -0.361 -2.144 1.00 1.21 C ATOM 251 CG2 ILE A 77 -9.929 1.434 -0.892 1.00 1.18 C ATOM 252 CD1 ILE A 77 -12.106 0.683 -2.686 1.00 1.58 C ATOM 0 H ILE A 77 -11.396 -2.122 0.111 1.00 0.44 H new ATOM 0 HA ILE A 77 -8.955 -1.246 -1.031 1.00 0.36 H new ATOM 0 HB ILE A 77 -11.467 0.164 -0.080 1.00 0.39 H new ATOM 0 HG12 ILE A 77 -10.290 -0.479 -2.829 1.00 1.21 H new ATOM 0 HG13 ILE A 77 -11.620 -1.331 -2.071 1.00 1.21 H new ATOM 0 HG21 ILE A 77 -10.635 2.172 -1.274 1.00 1.18 H new ATOM 0 HG22 ILE A 77 -9.569 1.749 0.087 1.00 1.18 H new ATOM 0 HG23 ILE A 77 -9.086 1.349 -1.578 1.00 1.18 H new ATOM 0 HD11 ILE A 77 -12.465 0.371 -3.667 1.00 1.58 H new ATOM 0 HD12 ILE A 77 -12.951 0.779 -2.004 1.00 1.58 H new ATOM 0 HD13 ILE A 77 -11.600 1.644 -2.774 1.00 1.58 H new ATOM 264 N PHE A 78 -9.508 -0.220 2.068 1.00 0.31 N ATOM 265 CA PHE A 78 -8.814 0.347 3.261 1.00 0.32 C ATOM 266 C PHE A 78 -7.597 -0.512 3.600 1.00 0.30 C ATOM 267 O PHE A 78 -6.518 -0.005 3.829 1.00 0.30 O ATOM 268 CB PHE A 78 -9.765 0.381 4.464 1.00 0.41 C ATOM 269 CG PHE A 78 -10.168 1.810 4.740 1.00 0.80 C ATOM 270 CD1 PHE A 78 -10.756 2.581 3.730 1.00 1.52 C ATOM 271 CD2 PHE A 78 -9.951 2.365 6.007 1.00 1.66 C ATOM 272 CE1 PHE A 78 -11.127 3.907 3.987 1.00 1.97 C ATOM 273 CE2 PHE A 78 -10.322 3.690 6.264 1.00 2.09 C ATOM 274 CZ PHE A 78 -10.911 4.461 5.254 1.00 1.95 C ATOM 0 H PHE A 78 -10.489 -0.460 2.210 1.00 0.31 H new ATOM 0 HA PHE A 78 -8.495 1.364 3.033 1.00 0.32 H new ATOM 0 HB2 PHE A 78 -10.648 -0.226 4.262 1.00 0.41 H new ATOM 0 HB3 PHE A 78 -9.278 -0.047 5.340 1.00 0.41 H new ATOM 0 HD1 PHE A 78 -10.924 2.153 2.753 1.00 1.52 H new ATOM 0 HD2 PHE A 78 -9.497 1.771 6.786 1.00 1.66 H new ATOM 0 HE1 PHE A 78 -11.580 4.502 3.208 1.00 1.97 H new ATOM 0 HE2 PHE A 78 -10.154 4.118 7.241 1.00 2.09 H new ATOM 0 HZ PHE A 78 -11.198 5.483 5.453 1.00 1.95 H new ATOM 284 N GLY A 79 -7.753 -1.808 3.635 1.00 0.31 N ATOM 285 CA GLY A 79 -6.587 -2.678 3.963 1.00 0.32 C ATOM 286 C GLY A 79 -5.463 -2.395 2.967 1.00 0.26 C ATOM 287 O GLY A 79 -4.324 -2.197 3.343 1.00 0.26 O ATOM 0 H GLY A 79 -8.629 -2.298 3.453 1.00 0.31 H new ATOM 0 HA2 GLY A 79 -6.247 -2.485 4.980 1.00 0.32 H new ATOM 0 HA3 GLY A 79 -6.876 -3.728 3.918 1.00 0.32 H new ATOM 291 N VAL A 80 -5.773 -2.355 1.699 1.00 0.23 N ATOM 292 CA VAL A 80 -4.716 -2.063 0.692 1.00 0.22 C ATOM 293 C VAL A 80 -4.082 -0.713 1.030 1.00 0.21 C ATOM 294 O VAL A 80 -2.874 -0.572 1.077 1.00 0.22 O ATOM 295 CB VAL A 80 -5.344 -2.012 -0.702 1.00 0.24 C ATOM 296 CG1 VAL A 80 -4.270 -1.658 -1.733 1.00 0.28 C ATOM 297 CG2 VAL A 80 -5.942 -3.382 -1.036 1.00 0.28 C ATOM 0 H VAL A 80 -6.707 -2.511 1.320 1.00 0.23 H new ATOM 0 HA VAL A 80 -3.953 -2.841 0.707 1.00 0.22 H new ATOM 0 HB VAL A 80 -6.128 -1.255 -0.723 1.00 0.24 H new ATOM 0 HG11 VAL A 80 -4.717 -1.622 -2.726 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -3.841 -0.685 -1.492 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -3.486 -2.415 -1.716 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -6.391 -3.351 -2.029 1.00 0.28 H new ATOM 0 HG22 VAL A 80 -5.156 -4.137 -1.017 1.00 0.28 H new ATOM 0 HG23 VAL A 80 -6.706 -3.635 -0.300 1.00 0.28 H new ATOM 307 N MET A 81 -4.895 0.275 1.284 1.00 0.22 N ATOM 308 CA MET A 81 -4.360 1.616 1.643 1.00 0.25 C ATOM 309 C MET A 81 -3.466 1.496 2.879 1.00 0.27 C ATOM 310 O MET A 81 -2.376 2.030 2.925 1.00 0.28 O ATOM 311 CB MET A 81 -5.523 2.564 1.942 1.00 0.29 C ATOM 312 CG MET A 81 -6.429 2.666 0.713 1.00 0.36 C ATOM 313 SD MET A 81 -6.343 4.343 0.039 1.00 1.07 S ATOM 314 CE MET A 81 -7.061 3.974 -1.581 1.00 1.70 C ATOM 0 H MET A 81 -5.913 0.209 1.258 1.00 0.22 H new ATOM 0 HA MET A 81 -3.775 2.009 0.811 1.00 0.25 H new ATOM 0 HB2 MET A 81 -6.092 2.199 2.797 1.00 0.29 H new ATOM 0 HB3 MET A 81 -5.143 3.550 2.209 1.00 0.29 H new ATOM 0 HG2 MET A 81 -6.119 1.943 -0.042 1.00 0.36 H new ATOM 0 HG3 MET A 81 -7.457 2.424 0.984 1.00 0.36 H new ATOM 0 HE1 MET A 81 -7.105 4.886 -2.176 1.00 1.70 H new ATOM 0 HE2 MET A 81 -6.444 3.236 -2.093 1.00 1.70 H new ATOM 0 HE3 MET A 81 -8.068 3.577 -1.451 1.00 1.70 H new ATOM 324 N ALA A 82 -3.930 0.806 3.888 1.00 0.28 N ATOM 325 CA ALA A 82 -3.122 0.658 5.129 1.00 0.32 C ATOM 326 C ALA A 82 -1.762 0.037 4.797 1.00 0.30 C ATOM 327 O ALA A 82 -0.737 0.516 5.240 1.00 0.30 O ATOM 328 CB ALA A 82 -3.874 -0.212 6.147 1.00 0.37 C ATOM 0 H ALA A 82 -4.836 0.338 3.904 1.00 0.28 H new ATOM 0 HA ALA A 82 -2.959 1.643 5.567 1.00 0.32 H new ATOM 0 HB1 ALA A 82 -3.274 -0.314 7.051 1.00 0.37 H new ATOM 0 HB2 ALA A 82 -4.826 0.258 6.394 1.00 0.37 H new ATOM 0 HB3 ALA A 82 -4.056 -1.198 5.719 1.00 0.37 H new ATOM 334 N GLY A 83 -1.720 -1.014 4.019 1.00 0.28 N ATOM 335 CA GLY A 83 -0.401 -1.612 3.687 1.00 0.27 C ATOM 336 C GLY A 83 0.469 -0.537 3.040 1.00 0.23 C ATOM 337 O GLY A 83 1.615 -0.347 3.398 1.00 0.23 O ATOM 0 H GLY A 83 -2.531 -1.475 3.607 1.00 0.28 H new ATOM 0 HA2 GLY A 83 0.078 -1.996 4.588 1.00 0.27 H new ATOM 0 HA3 GLY A 83 -0.528 -2.456 3.009 1.00 0.27 H new ATOM 341 N VAL A 84 -0.075 0.175 2.092 1.00 0.21 N ATOM 342 CA VAL A 84 0.711 1.248 1.422 1.00 0.19 C ATOM 343 C VAL A 84 1.210 2.265 2.456 1.00 0.20 C ATOM 344 O VAL A 84 2.363 2.648 2.450 1.00 0.19 O ATOM 345 CB VAL A 84 -0.174 1.959 0.398 1.00 0.22 C ATOM 346 CG1 VAL A 84 0.634 3.052 -0.306 1.00 0.28 C ATOM 347 CG2 VAL A 84 -0.670 0.947 -0.637 1.00 0.27 C ATOM 0 H VAL A 84 -1.030 0.060 1.753 1.00 0.21 H new ATOM 0 HA VAL A 84 1.570 0.800 0.923 1.00 0.19 H new ATOM 0 HB VAL A 84 -1.027 2.408 0.906 1.00 0.22 H new ATOM 0 HG11 VAL A 84 0.002 3.558 -1.036 1.00 0.28 H new ATOM 0 HG12 VAL A 84 0.988 3.774 0.430 1.00 0.28 H new ATOM 0 HG13 VAL A 84 1.488 2.603 -0.814 1.00 0.28 H new ATOM 0 HG21 VAL A 84 -1.301 1.453 -1.367 1.00 0.27 H new ATOM 0 HG22 VAL A 84 0.184 0.498 -1.144 1.00 0.27 H new ATOM 0 HG23 VAL A 84 -1.246 0.168 -0.137 1.00 0.27 H new ATOM 357 N ILE A 85 0.352 2.720 3.334 1.00 0.23 N ATOM 358 CA ILE A 85 0.791 3.725 4.347 1.00 0.27 C ATOM 359 C ILE A 85 1.966 3.172 5.166 1.00 0.27 C ATOM 360 O ILE A 85 2.961 3.841 5.360 1.00 0.28 O ATOM 361 CB ILE A 85 -0.397 4.088 5.263 1.00 0.33 C ATOM 362 CG1 ILE A 85 -0.339 5.582 5.591 1.00 0.67 C ATOM 363 CG2 ILE A 85 -0.356 3.286 6.572 1.00 0.75 C ATOM 364 CD1 ILE A 85 -1.386 6.328 4.761 1.00 1.20 C ATOM 0 H ILE A 85 -0.627 2.441 3.393 1.00 0.23 H new ATOM 0 HA ILE A 85 1.129 4.629 3.839 1.00 0.27 H new ATOM 0 HB ILE A 85 -1.321 3.846 4.739 1.00 0.33 H new ATOM 0 HG12 ILE A 85 -0.523 5.739 6.654 1.00 0.67 H new ATOM 0 HG13 ILE A 85 0.656 5.974 5.378 1.00 0.67 H new ATOM 0 HG21 ILE A 85 -1.206 3.564 7.196 1.00 0.75 H new ATOM 0 HG22 ILE A 85 -0.404 2.220 6.348 1.00 0.75 H new ATOM 0 HG23 ILE A 85 0.571 3.504 7.103 1.00 0.75 H new ATOM 0 HD11 ILE A 85 -1.345 7.392 4.994 1.00 1.20 H new ATOM 0 HD12 ILE A 85 -1.182 6.181 3.700 1.00 1.20 H new ATOM 0 HD13 ILE A 85 -2.378 5.943 4.996 1.00 1.20 H new ATOM 376 N GLY A 86 1.863 1.960 5.646 1.00 0.29 N ATOM 377 CA GLY A 86 2.986 1.390 6.443 1.00 0.33 C ATOM 378 C GLY A 86 4.260 1.414 5.600 1.00 0.30 C ATOM 379 O GLY A 86 5.306 1.848 6.041 1.00 0.33 O ATOM 0 H GLY A 86 1.058 1.346 5.522 1.00 0.29 H new ATOM 0 HA2 GLY A 86 3.129 1.966 7.357 1.00 0.33 H new ATOM 0 HA3 GLY A 86 2.753 0.368 6.744 1.00 0.33 H new ATOM 383 N THR A 87 4.171 0.962 4.379 1.00 0.25 N ATOM 384 CA THR A 87 5.366 0.970 3.491 1.00 0.25 C ATOM 385 C THR A 87 5.892 2.400 3.370 1.00 0.26 C ATOM 386 O THR A 87 7.074 2.652 3.485 1.00 0.32 O ATOM 387 CB THR A 87 4.984 0.441 2.105 1.00 0.24 C ATOM 388 OG1 THR A 87 4.223 -0.752 2.247 1.00 0.34 O ATOM 389 CG2 THR A 87 6.255 0.142 1.308 1.00 0.31 C ATOM 0 H THR A 87 3.321 0.587 3.958 1.00 0.25 H new ATOM 0 HA THR A 87 6.140 0.330 3.915 1.00 0.25 H new ATOM 0 HB THR A 87 4.392 1.190 1.579 1.00 0.24 H new ATOM 0 HG1 THR A 87 3.302 -0.525 2.492 1.00 0.34 H new ATOM 0 HG21 THR A 87 5.986 -0.235 0.321 1.00 0.31 H new ATOM 0 HG22 THR A 87 6.840 1.055 1.200 1.00 0.31 H new ATOM 0 HG23 THR A 87 6.846 -0.608 1.834 1.00 0.31 H new ATOM 397 N ILE A 88 5.014 3.338 3.129 1.00 0.24 N ATOM 398 CA ILE A 88 5.450 4.755 2.991 1.00 0.33 C ATOM 399 C ILE A 88 6.194 5.188 4.253 1.00 0.39 C ATOM 400 O ILE A 88 7.254 5.778 4.186 1.00 0.47 O ATOM 401 CB ILE A 88 4.222 5.646 2.794 1.00 0.37 C ATOM 402 CG1 ILE A 88 3.581 5.336 1.439 1.00 0.39 C ATOM 403 CG2 ILE A 88 4.644 7.115 2.833 1.00 0.47 C ATOM 404 CD1 ILE A 88 2.487 6.364 1.146 1.00 0.49 C ATOM 0 H ILE A 88 4.012 3.181 3.022 1.00 0.24 H new ATOM 0 HA ILE A 88 6.113 4.848 2.131 1.00 0.33 H new ATOM 0 HB ILE A 88 3.503 5.454 3.590 1.00 0.37 H new ATOM 0 HG12 ILE A 88 4.336 5.359 0.653 1.00 0.39 H new ATOM 0 HG13 ILE A 88 3.159 4.331 1.446 1.00 0.39 H new ATOM 0 HG21 ILE A 88 3.768 7.749 2.693 1.00 0.47 H new ATOM 0 HG22 ILE A 88 5.102 7.337 3.797 1.00 0.47 H new ATOM 0 HG23 ILE A 88 5.363 7.308 2.037 1.00 0.47 H new ATOM 0 HD11 ILE A 88 2.030 6.144 0.181 1.00 0.49 H new ATOM 0 HD12 ILE A 88 1.727 6.319 1.926 1.00 0.49 H new ATOM 0 HD13 ILE A 88 2.923 7.363 1.122 1.00 0.49 H new ATOM 416 N LEU A 89 5.653 4.903 5.407 1.00 0.39 N ATOM 417 CA LEU A 89 6.346 5.307 6.660 1.00 0.49 C ATOM 418 C LEU A 89 7.752 4.697 6.672 1.00 0.53 C ATOM 419 O LEU A 89 8.725 5.371 6.951 1.00 0.62 O ATOM 420 CB LEU A 89 5.517 4.864 7.888 1.00 0.53 C ATOM 421 CG LEU A 89 6.012 3.529 8.461 1.00 0.59 C ATOM 422 CD1 LEU A 89 7.296 3.754 9.263 1.00 0.68 C ATOM 423 CD2 LEU A 89 4.938 2.948 9.384 1.00 0.65 C ATOM 0 H LEU A 89 4.768 4.412 5.534 1.00 0.39 H new ATOM 0 HA LEU A 89 6.442 6.392 6.706 1.00 0.49 H new ATOM 0 HB2 LEU A 89 5.571 5.632 8.659 1.00 0.53 H new ATOM 0 HB3 LEU A 89 4.469 4.771 7.604 1.00 0.53 H new ATOM 0 HG LEU A 89 6.213 2.837 7.643 1.00 0.59 H new ATOM 0 HD11 LEU A 89 7.643 2.803 9.668 1.00 0.68 H new ATOM 0 HD12 LEU A 89 8.063 4.173 8.612 1.00 0.68 H new ATOM 0 HD13 LEU A 89 7.097 4.446 10.081 1.00 0.68 H new ATOM 0 HD21 LEU A 89 5.285 1.999 9.794 1.00 0.65 H new ATOM 0 HD22 LEU A 89 4.742 3.645 10.199 1.00 0.65 H new ATOM 0 HD23 LEU A 89 4.021 2.785 8.818 1.00 0.65 H new ATOM 435 N LEU A 90 7.875 3.432 6.361 1.00 0.49 N ATOM 436 CA LEU A 90 9.229 2.804 6.346 1.00 0.57 C ATOM 437 C LEU A 90 10.130 3.570 5.376 1.00 0.60 C ATOM 438 O LEU A 90 11.253 3.912 5.691 1.00 0.71 O ATOM 439 CB LEU A 90 9.115 1.347 5.890 1.00 0.56 C ATOM 440 CG LEU A 90 8.559 0.494 7.032 1.00 1.24 C ATOM 441 CD1 LEU A 90 8.509 -0.971 6.596 1.00 1.76 C ATOM 442 CD2 LEU A 90 9.465 0.629 8.257 1.00 1.92 C ATOM 0 H LEU A 90 7.103 2.811 6.119 1.00 0.49 H new ATOM 0 HA LEU A 90 9.656 2.837 7.348 1.00 0.57 H new ATOM 0 HB2 LEU A 90 8.462 1.278 5.020 1.00 0.56 H new ATOM 0 HB3 LEU A 90 10.093 0.973 5.586 1.00 0.56 H new ATOM 0 HG LEU A 90 7.554 0.834 7.283 1.00 1.24 H new ATOM 0 HD11 LEU A 90 8.113 -1.579 7.409 1.00 1.76 H new ATOM 0 HD12 LEU A 90 7.864 -1.069 5.722 1.00 1.76 H new ATOM 0 HD13 LEU A 90 9.514 -1.310 6.345 1.00 1.76 H new ATOM 0 HD21 LEU A 90 9.069 0.021 9.071 1.00 1.92 H new ATOM 0 HD22 LEU A 90 10.470 0.289 8.006 1.00 1.92 H new ATOM 0 HD23 LEU A 90 9.503 1.673 8.569 1.00 1.92 H new ATOM 454 N ILE A 91 9.641 3.843 4.196 1.00 0.55 N ATOM 455 CA ILE A 91 10.459 4.587 3.197 1.00 0.65 C ATOM 456 C ILE A 91 10.891 5.929 3.783 1.00 0.75 C ATOM 457 O ILE A 91 12.042 6.309 3.696 1.00 0.87 O ATOM 458 CB ILE A 91 9.632 4.818 1.932 1.00 0.63 C ATOM 459 CG1 ILE A 91 9.147 3.473 1.387 1.00 0.58 C ATOM 460 CG2 ILE A 91 10.494 5.510 0.875 1.00 0.75 C ATOM 461 CD1 ILE A 91 8.101 3.712 0.297 1.00 0.66 C ATOM 0 H ILE A 91 8.707 3.581 3.881 1.00 0.55 H new ATOM 0 HA ILE A 91 11.346 4.004 2.948 1.00 0.65 H new ATOM 0 HB ILE A 91 8.775 5.447 2.171 1.00 0.63 H new ATOM 0 HG12 ILE A 91 9.987 2.908 0.982 1.00 0.58 H new ATOM 0 HG13 ILE A 91 8.719 2.875 2.192 1.00 0.58 H new ATOM 0 HG21 ILE A 91 9.903 5.674 -0.026 1.00 0.75 H new ATOM 0 HG22 ILE A 91 10.842 6.468 1.260 1.00 0.75 H new ATOM 0 HG23 ILE A 91 11.352 4.881 0.637 1.00 0.75 H new ATOM 0 HD11 ILE A 91 7.755 2.754 -0.092 1.00 0.66 H new ATOM 0 HD12 ILE A 91 7.257 4.260 0.716 1.00 0.66 H new ATOM 0 HD13 ILE A 91 8.544 4.293 -0.512 1.00 0.66 H new ATOM 473 N SER A 92 9.986 6.654 4.378 1.00 0.73 N ATOM 474 CA SER A 92 10.374 7.965 4.957 1.00 0.87 C ATOM 475 C SER A 92 11.502 7.745 5.962 1.00 0.94 C ATOM 476 O SER A 92 12.507 8.427 5.940 1.00 1.07 O ATOM 477 CB SER A 92 9.172 8.590 5.666 1.00 0.86 C ATOM 478 OG SER A 92 8.026 7.777 5.451 1.00 1.29 O ATOM 0 H SER A 92 9.005 6.397 4.487 1.00 0.73 H new ATOM 0 HA SER A 92 10.708 8.635 4.164 1.00 0.87 H new ATOM 0 HB2 SER A 92 9.372 8.682 6.734 1.00 0.86 H new ATOM 0 HB3 SER A 92 8.995 9.597 5.287 1.00 0.86 H new ATOM 0 HG SER A 92 7.227 8.249 5.765 1.00 1.29 H new ATOM 484 N TYR A 93 11.355 6.787 6.838 1.00 0.89 N ATOM 485 CA TYR A 93 12.438 6.526 7.825 1.00 1.00 C ATOM 486 C TYR A 93 13.742 6.224 7.081 1.00 1.05 C ATOM 487 O TYR A 93 14.782 6.771 7.388 1.00 1.18 O ATOM 488 CB TYR A 93 12.059 5.327 8.699 1.00 0.96 C ATOM 489 CG TYR A 93 12.995 5.250 9.880 1.00 1.27 C ATOM 490 CD1 TYR A 93 14.329 4.867 9.692 1.00 2.13 C ATOM 491 CD2 TYR A 93 12.530 5.562 11.164 1.00 1.62 C ATOM 492 CE1 TYR A 93 15.198 4.797 10.787 1.00 2.53 C ATOM 493 CE2 TYR A 93 13.400 5.491 12.259 1.00 1.95 C ATOM 494 CZ TYR A 93 14.734 5.109 12.071 1.00 2.15 C ATOM 495 OH TYR A 93 15.591 5.039 13.150 1.00 2.64 O ATOM 0 H TYR A 93 10.539 6.180 6.912 1.00 0.89 H new ATOM 0 HA TYR A 93 12.573 7.404 8.456 1.00 1.00 H new ATOM 0 HB2 TYR A 93 11.029 5.425 9.043 1.00 0.96 H new ATOM 0 HB3 TYR A 93 12.114 4.407 8.117 1.00 0.96 H new ATOM 0 HD1 TYR A 93 14.687 4.626 8.702 1.00 2.13 H new ATOM 0 HD2 TYR A 93 11.501 5.857 11.309 1.00 1.62 H new ATOM 0 HE1 TYR A 93 16.227 4.502 10.642 1.00 2.53 H new ATOM 0 HE2 TYR A 93 13.042 5.731 13.249 1.00 1.95 H new ATOM 0 HH TYR A 93 15.110 5.288 13.967 1.00 2.64 H new ATOM 505 N GLY A 94 13.694 5.360 6.097 1.00 0.97 N ATOM 506 CA GLY A 94 14.930 5.035 5.332 1.00 1.05 C ATOM 507 C GLY A 94 15.509 6.314 4.731 1.00 1.16 C ATOM 508 O GLY A 94 16.689 6.583 4.835 1.00 1.29 O ATOM 0 H GLY A 94 12.853 4.869 5.794 1.00 0.97 H new ATOM 0 HA2 GLY A 94 15.663 4.565 5.988 1.00 1.05 H new ATOM 0 HA3 GLY A 94 14.704 4.319 4.542 1.00 1.05 H new ATOM 512 N ILE A 95 14.684 7.110 4.106 1.00 1.14 N ATOM 513 CA ILE A 95 15.191 8.377 3.503 1.00 1.29 C ATOM 514 C ILE A 95 15.857 9.218 4.598 1.00 1.41 C ATOM 515 O ILE A 95 16.948 9.728 4.427 1.00 1.55 O ATOM 516 CB ILE A 95 14.026 9.156 2.875 1.00 1.28 C ATOM 517 CG1 ILE A 95 13.691 8.557 1.506 1.00 1.74 C ATOM 518 CG2 ILE A 95 14.415 10.627 2.691 1.00 1.77 C ATOM 519 CD1 ILE A 95 12.275 7.977 1.534 1.00 2.19 C ATOM 0 H ILE A 95 13.685 6.939 3.987 1.00 1.14 H new ATOM 0 HA ILE A 95 15.919 8.150 2.725 1.00 1.29 H new ATOM 0 HB ILE A 95 13.161 9.089 3.535 1.00 1.28 H new ATOM 0 HG12 ILE A 95 13.766 9.323 0.734 1.00 1.74 H new ATOM 0 HG13 ILE A 95 14.410 7.777 1.253 1.00 1.74 H new ATOM 0 HG21 ILE A 95 13.582 11.171 2.245 1.00 1.77 H new ATOM 0 HG22 ILE A 95 14.656 11.064 3.660 1.00 1.77 H new ATOM 0 HG23 ILE A 95 15.284 10.694 2.037 1.00 1.77 H new ATOM 0 HD11 ILE A 95 12.037 7.551 0.559 1.00 2.19 H new ATOM 0 HD12 ILE A 95 12.216 7.199 2.295 1.00 2.19 H new ATOM 0 HD13 ILE A 95 11.562 8.768 1.768 1.00 2.19 H new ATOM 531 N ARG A 96 15.207 9.365 5.720 1.00 1.37 N ATOM 532 CA ARG A 96 15.799 10.172 6.826 1.00 1.51 C ATOM 533 C ARG A 96 17.167 9.598 7.204 1.00 1.58 C ATOM 534 O ARG A 96 18.135 10.317 7.348 1.00 1.73 O ATOM 535 CB ARG A 96 14.876 10.128 8.048 1.00 1.46 C ATOM 536 CG ARG A 96 15.223 11.282 8.990 1.00 1.73 C ATOM 537 CD ARG A 96 14.204 12.409 8.812 1.00 2.03 C ATOM 538 NE ARG A 96 12.831 11.876 9.040 1.00 2.00 N ATOM 539 CZ ARG A 96 11.834 12.697 9.227 1.00 2.45 C ATOM 540 NH1 ARG A 96 11.765 13.401 10.324 1.00 2.76 N ATOM 541 NH2 ARG A 96 10.906 12.815 8.317 1.00 3.14 N ATOM 0 H ARG A 96 14.292 8.961 5.919 1.00 1.37 H new ATOM 0 HA ARG A 96 15.915 11.204 6.495 1.00 1.51 H new ATOM 0 HB2 ARG A 96 13.835 10.201 7.734 1.00 1.46 H new ATOM 0 HB3 ARG A 96 14.986 9.175 8.566 1.00 1.46 H new ATOM 0 HG2 ARG A 96 15.221 10.935 10.023 1.00 1.73 H new ATOM 0 HG3 ARG A 96 16.227 11.649 8.779 1.00 1.73 H new ATOM 0 HD2 ARG A 96 14.413 13.217 9.513 1.00 2.03 H new ATOM 0 HD3 ARG A 96 14.281 12.829 7.809 1.00 2.03 H new ATOM 0 HE ARG A 96 12.670 10.869 9.050 1.00 2.00 H new ATOM 0 HH11 ARG A 96 12.490 13.309 11.035 1.00 2.76 H new ATOM 0 HH12 ARG A 96 10.986 14.043 10.470 1.00 2.76 H new ATOM 0 HH21 ARG A 96 10.960 12.265 7.459 1.00 3.14 H new ATOM 0 HH22 ARG A 96 10.127 13.457 8.463 1.00 3.14 H new ATOM 555 N ARG A 97 17.251 8.308 7.372 1.00 1.50 N ATOM 556 CA ARG A 97 18.553 7.685 7.746 1.00 1.59 C ATOM 557 C ARG A 97 19.617 8.034 6.702 1.00 1.69 C ATOM 558 O ARG A 97 20.718 8.425 7.034 1.00 1.84 O ATOM 559 CB ARG A 97 18.394 6.164 7.823 1.00 1.50 C ATOM 560 CG ARG A 97 19.566 5.568 8.605 1.00 1.77 C ATOM 561 CD ARG A 97 19.644 4.063 8.340 1.00 2.23 C ATOM 562 NE ARG A 97 19.192 3.318 9.548 1.00 2.70 N ATOM 563 CZ ARG A 97 18.881 2.054 9.458 1.00 3.07 C ATOM 564 NH1 ARG A 97 18.014 1.660 8.566 1.00 3.56 N ATOM 565 NH2 ARG A 97 19.436 1.185 10.257 1.00 3.58 N ATOM 0 H ARG A 97 16.473 7.656 7.266 1.00 1.50 H new ATOM 0 HA ARG A 97 18.864 8.068 8.718 1.00 1.59 H new ATOM 0 HB2 ARG A 97 17.452 5.910 8.309 1.00 1.50 H new ATOM 0 HB3 ARG A 97 18.359 5.740 6.819 1.00 1.50 H new ATOM 0 HG2 ARG A 97 20.498 6.049 8.307 1.00 1.77 H new ATOM 0 HG3 ARG A 97 19.438 5.754 9.671 1.00 1.77 H new ATOM 0 HD2 ARG A 97 19.021 3.801 7.485 1.00 2.23 H new ATOM 0 HD3 ARG A 97 20.666 3.781 8.088 1.00 2.23 H new ATOM 0 HE ARG A 97 19.126 3.796 10.446 1.00 2.70 H new ATOM 0 HH11 ARG A 97 17.581 2.340 7.941 1.00 3.56 H new ATOM 0 HH12 ARG A 97 17.769 0.672 8.494 1.00 3.56 H new ATOM 0 HH21 ARG A 97 20.114 1.493 10.954 1.00 3.58 H new ATOM 0 HH22 ARG A 97 19.192 0.197 10.185 1.00 3.58 H new ATOM 579 N LEU A 98 19.300 7.895 5.443 1.00 1.64 N ATOM 580 CA LEU A 98 20.295 8.217 4.386 1.00 1.75 C ATOM 581 C LEU A 98 20.751 9.671 4.563 1.00 1.91 C ATOM 582 O LEU A 98 21.929 9.971 4.534 1.00 2.05 O ATOM 583 CB LEU A 98 19.641 7.995 3.006 1.00 1.69 C ATOM 584 CG LEU A 98 19.987 9.135 2.043 1.00 2.11 C ATOM 585 CD1 LEU A 98 21.506 9.225 1.881 1.00 2.66 C ATOM 586 CD2 LEU A 98 19.345 8.867 0.679 1.00 2.38 C ATOM 0 H LEU A 98 18.394 7.572 5.103 1.00 1.64 H new ATOM 0 HA LEU A 98 21.170 7.571 4.461 1.00 1.75 H new ATOM 0 HB2 LEU A 98 19.979 7.047 2.588 1.00 1.69 H new ATOM 0 HB3 LEU A 98 18.559 7.926 3.119 1.00 1.69 H new ATOM 0 HG LEU A 98 19.608 10.074 2.445 1.00 2.11 H new ATOM 0 HD11 LEU A 98 21.751 10.036 1.196 1.00 2.66 H new ATOM 0 HD12 LEU A 98 21.965 9.418 2.851 1.00 2.66 H new ATOM 0 HD13 LEU A 98 21.886 8.285 1.481 1.00 2.66 H new ATOM 0 HD21 LEU A 98 19.592 9.679 -0.005 1.00 2.38 H new ATOM 0 HD22 LEU A 98 19.723 7.927 0.278 1.00 2.38 H new ATOM 0 HD23 LEU A 98 18.263 8.805 0.792 1.00 2.38 H new ATOM 598 N ILE A 99 19.828 10.570 4.748 1.00 1.90 N ATOM 599 CA ILE A 99 20.205 12.000 4.928 1.00 2.06 C ATOM 600 C ILE A 99 20.836 12.192 6.309 1.00 2.14 C ATOM 601 O ILE A 99 21.658 13.064 6.510 1.00 2.20 O ATOM 602 CB ILE A 99 18.953 12.866 4.818 1.00 2.05 C ATOM 603 CG1 ILE A 99 17.919 12.382 5.835 1.00 1.98 C ATOM 604 CG2 ILE A 99 18.374 12.746 3.407 1.00 2.03 C ATOM 605 CD1 ILE A 99 16.737 13.352 5.867 1.00 2.00 C ATOM 0 H ILE A 99 18.827 10.378 4.783 1.00 1.90 H new ATOM 0 HA ILE A 99 20.921 12.289 4.159 1.00 2.06 H new ATOM 0 HB ILE A 99 19.207 13.907 5.018 1.00 2.05 H new ATOM 0 HG12 ILE A 99 17.575 11.382 5.571 1.00 1.98 H new ATOM 0 HG13 ILE A 99 18.372 12.312 6.824 1.00 1.98 H new ATOM 0 HG21 ILE A 99 17.480 13.364 3.327 1.00 2.03 H new ATOM 0 HG22 ILE A 99 19.114 13.082 2.680 1.00 2.03 H new ATOM 0 HG23 ILE A 99 18.116 11.706 3.207 1.00 2.03 H new ATOM 0 HD11 ILE A 99 16.001 13.005 6.593 1.00 2.00 H new ATOM 0 HD12 ILE A 99 17.088 14.344 6.152 1.00 2.00 H new ATOM 0 HD13 ILE A 99 16.278 13.399 4.879 1.00 2.00 H new ATOM 617 N LYS A 100 20.456 11.386 7.262 1.00 2.35 N ATOM 618 CA LYS A 100 21.033 11.524 8.630 1.00 2.45 C ATOM 619 C LYS A 100 22.286 10.653 8.739 1.00 2.85 C ATOM 620 O LYS A 100 22.506 9.764 7.941 1.00 3.21 O ATOM 621 CB LYS A 100 20.003 11.076 9.670 1.00 2.30 C ATOM 622 CG LYS A 100 20.277 11.785 10.999 1.00 2.60 C ATOM 623 CD LYS A 100 19.093 11.571 11.945 1.00 2.94 C ATOM 624 CE LYS A 100 19.470 10.538 13.009 1.00 3.56 C ATOM 625 NZ LYS A 100 18.819 10.895 14.301 1.00 3.91 N ATOM 0 H LYS A 100 19.771 10.638 7.153 1.00 2.35 H new ATOM 0 HA LYS A 100 21.296 12.566 8.812 1.00 2.45 H new ATOM 0 HB2 LYS A 100 18.996 11.308 9.323 1.00 2.30 H new ATOM 0 HB3 LYS A 100 20.053 9.996 9.805 1.00 2.30 H new ATOM 0 HG2 LYS A 100 21.191 11.397 11.449 1.00 2.60 H new ATOM 0 HG3 LYS A 100 20.433 12.850 10.830 1.00 2.60 H new ATOM 0 HD2 LYS A 100 18.818 12.513 12.419 1.00 2.94 H new ATOM 0 HD3 LYS A 100 18.223 11.230 11.384 1.00 2.94 H new ATOM 0 HE2 LYS A 100 19.155 9.543 12.693 1.00 3.56 H new ATOM 0 HE3 LYS A 100 20.553 10.505 13.132 1.00 3.56 H new ATOM 0 HZ1 LYS A 100 19.075 10.193 15.024 1.00 3.91 H new ATOM 0 HZ2 LYS A 100 19.141 11.837 14.603 1.00 3.91 H new ATOM 0 HZ3 LYS A 100 17.786 10.905 14.178 1.00 3.91 H new ATOM 639 N LYS A 101 23.110 10.899 9.720 1.00 3.09 N ATOM 640 CA LYS A 101 24.347 10.083 9.874 1.00 3.63 C ATOM 641 C LYS A 101 25.087 10.509 11.144 1.00 4.10 C ATOM 642 O LYS A 101 25.022 11.679 11.480 1.00 4.56 O ATOM 643 CB LYS A 101 25.253 10.297 8.659 1.00 3.99 C ATOM 644 CG LYS A 101 26.540 9.487 8.830 1.00 4.58 C ATOM 645 CD LYS A 101 26.270 8.021 8.488 1.00 5.25 C ATOM 646 CE LYS A 101 27.347 7.512 7.529 1.00 6.09 C ATOM 647 NZ LYS A 101 27.965 6.276 8.087 1.00 6.53 N ATOM 648 OXT LYS A 101 25.707 9.656 11.759 1.00 4.44 O ATOM 0 H LYS A 101 22.980 11.629 10.421 1.00 3.09 H new ATOM 0 HA LYS A 101 24.079 9.029 9.947 1.00 3.63 H new ATOM 0 HB2 LYS A 101 24.737 9.991 7.749 1.00 3.99 H new ATOM 0 HB3 LYS A 101 25.489 11.356 8.551 1.00 3.99 H new ATOM 0 HG2 LYS A 101 27.321 9.885 8.182 1.00 4.58 H new ATOM 0 HG3 LYS A 101 26.902 9.572 9.855 1.00 4.58 H new ATOM 0 HD2 LYS A 101 26.265 7.420 9.397 1.00 5.25 H new ATOM 0 HD3 LYS A 101 25.285 7.919 8.032 1.00 5.25 H new ATOM 0 HE2 LYS A 101 26.910 7.304 6.552 1.00 6.09 H new ATOM 0 HE3 LYS A 101 28.109 8.278 7.381 1.00 6.09 H new ATOM 0 HZ1 LYS A 101 28.698 5.929 7.435 1.00 6.53 H new ATOM 0 HZ2 LYS A 101 28.395 6.489 9.010 1.00 6.53 H new ATOM 0 HZ3 LYS A 101 27.234 5.546 8.206 1.00 6.53 H new TER 662 LYS A 101 ATOM 663 N VAL B 62 -10.695 -18.676 -12.940 1.00 19.64 N ATOM 664 CA VAL B 62 -11.399 -19.980 -13.090 1.00 19.45 C ATOM 665 C VAL B 62 -11.946 -20.424 -11.730 1.00 18.79 C ATOM 666 O VAL B 62 -11.274 -21.095 -10.971 1.00 19.02 O ATOM 667 CB VAL B 62 -10.415 -21.030 -13.611 1.00 19.77 C ATOM 668 CG1 VAL B 62 -11.042 -22.420 -13.492 1.00 20.22 C ATOM 669 CG2 VAL B 62 -10.094 -20.740 -15.078 1.00 19.99 C ATOM 0 HA VAL B 62 -12.223 -19.871 -13.795 1.00 19.45 H new ATOM 0 HB VAL B 62 -9.498 -20.994 -13.023 1.00 19.77 H new ATOM 0 HG11 VAL B 62 -10.341 -23.168 -13.863 1.00 20.22 H new ATOM 0 HG12 VAL B 62 -11.274 -22.626 -12.447 1.00 20.22 H new ATOM 0 HG13 VAL B 62 -11.958 -22.457 -14.081 1.00 20.22 H new ATOM 0 HG21 VAL B 62 -9.393 -21.487 -15.452 1.00 19.99 H new ATOM 0 HG22 VAL B 62 -11.011 -20.777 -15.665 1.00 19.99 H new ATOM 0 HG23 VAL B 62 -9.648 -19.749 -15.164 1.00 19.99 H new ATOM 681 N GLN B 63 -13.158 -20.056 -11.413 1.00 18.10 N ATOM 682 CA GLN B 63 -13.737 -20.460 -10.099 1.00 17.56 C ATOM 683 C GLN B 63 -15.228 -20.113 -10.069 1.00 16.86 C ATOM 684 O GLN B 63 -15.619 -18.984 -10.286 1.00 16.59 O ATOM 685 CB GLN B 63 -13.016 -19.716 -8.970 1.00 17.30 C ATOM 686 CG GLN B 63 -12.522 -18.359 -9.478 1.00 17.01 C ATOM 687 CD GLN B 63 -12.599 -17.333 -8.346 1.00 16.75 C ATOM 688 OE1 GLN B 63 -11.840 -17.397 -7.399 1.00 17.03 O ATOM 689 NE2 GLN B 63 -13.488 -16.381 -8.405 1.00 16.36 N ATOM 0 H GLN B 63 -13.771 -19.495 -12.005 1.00 18.10 H new ATOM 0 HA GLN B 63 -13.611 -21.534 -9.963 1.00 17.56 H new ATOM 0 HB2 GLN B 63 -13.691 -19.575 -8.126 1.00 17.30 H new ATOM 0 HB3 GLN B 63 -12.175 -20.309 -8.610 1.00 17.30 H new ATOM 0 HG2 GLN B 63 -11.496 -18.444 -9.837 1.00 17.01 H new ATOM 0 HG3 GLN B 63 -13.129 -18.032 -10.322 1.00 17.01 H new ATOM 0 HE21 GLN B 63 -14.125 -16.327 -9.200 1.00 16.36 H new ATOM 0 HE22 GLN B 63 -13.546 -15.690 -7.657 1.00 16.36 H new ATOM 698 N LEU B 64 -16.065 -21.080 -9.802 1.00 16.69 N ATOM 699 CA LEU B 64 -17.530 -20.811 -9.759 1.00 16.15 C ATOM 700 C LEU B 64 -17.996 -20.701 -8.308 1.00 15.61 C ATOM 701 O LEU B 64 -19.054 -21.179 -7.951 1.00 15.57 O ATOM 702 CB LEU B 64 -18.280 -21.960 -10.435 1.00 16.73 C ATOM 703 CG LEU B 64 -18.828 -21.492 -11.783 1.00 16.88 C ATOM 704 CD1 LEU B 64 -17.669 -21.057 -12.682 1.00 17.47 C ATOM 705 CD2 LEU B 64 -19.586 -22.641 -12.450 1.00 17.27 C ATOM 0 H LEU B 64 -15.796 -22.045 -9.612 1.00 16.69 H new ATOM 0 HA LEU B 64 -17.734 -19.876 -10.280 1.00 16.15 H new ATOM 0 HB2 LEU B 64 -17.612 -22.809 -10.578 1.00 16.73 H new ATOM 0 HB3 LEU B 64 -19.096 -22.300 -9.797 1.00 16.73 H new ATOM 0 HG LEU B 64 -19.503 -20.651 -11.629 1.00 16.88 H new ATOM 0 HD11 LEU B 64 -18.060 -20.723 -13.643 1.00 17.47 H new ATOM 0 HD12 LEU B 64 -17.127 -20.239 -12.207 1.00 17.47 H new ATOM 0 HD13 LEU B 64 -16.993 -21.898 -12.837 1.00 17.47 H new ATOM 0 HD21 LEU B 64 -19.978 -22.309 -13.412 1.00 17.27 H new ATOM 0 HD22 LEU B 64 -18.910 -23.482 -12.604 1.00 17.27 H new ATOM 0 HD23 LEU B 64 -20.412 -22.952 -11.810 1.00 17.27 H new ATOM 717 N ALA B 65 -17.221 -20.078 -7.466 1.00 15.34 N ATOM 718 CA ALA B 65 -17.638 -19.949 -6.043 1.00 14.99 C ATOM 719 C ALA B 65 -17.585 -18.479 -5.623 1.00 14.10 C ATOM 720 O ALA B 65 -17.353 -18.161 -4.473 1.00 13.96 O ATOM 721 CB ALA B 65 -16.694 -20.764 -5.157 1.00 15.58 C ATOM 0 H ALA B 65 -16.323 -19.655 -7.699 1.00 15.34 H new ATOM 0 HA ALA B 65 -18.656 -20.322 -5.931 1.00 14.99 H new ATOM 0 HB1 ALA B 65 -17.000 -20.669 -4.115 1.00 15.58 H new ATOM 0 HB2 ALA B 65 -16.732 -21.813 -5.452 1.00 15.58 H new ATOM 0 HB3 ALA B 65 -15.676 -20.392 -5.271 1.00 15.58 H new ATOM 727 N HIS B 66 -17.797 -17.577 -6.542 1.00 13.65 N ATOM 728 CA HIS B 66 -17.755 -16.130 -6.186 1.00 12.91 C ATOM 729 C HIS B 66 -19.102 -15.479 -6.511 1.00 12.30 C ATOM 730 O HIS B 66 -19.532 -15.454 -7.647 1.00 12.38 O ATOM 731 CB HIS B 66 -16.640 -15.441 -6.982 1.00 12.96 C ATOM 732 CG HIS B 66 -17.074 -15.253 -8.411 1.00 13.34 C ATOM 733 ND1 HIS B 66 -17.186 -16.314 -9.296 1.00 13.54 N ATOM 734 CD2 HIS B 66 -17.427 -14.134 -9.123 1.00 13.74 C ATOM 735 CE1 HIS B 66 -17.591 -15.816 -10.478 1.00 14.03 C ATOM 736 NE2 HIS B 66 -17.753 -14.491 -10.428 1.00 14.18 N ATOM 0 H HIS B 66 -17.997 -17.779 -7.522 1.00 13.65 H new ATOM 0 HA HIS B 66 -17.556 -16.024 -5.120 1.00 12.91 H new ATOM 0 HB2 HIS B 66 -16.404 -14.476 -6.534 1.00 12.96 H new ATOM 0 HB3 HIS B 66 -15.730 -16.040 -6.945 1.00 12.96 H new ATOM 0 HD2 HIS B 66 -17.449 -13.128 -8.730 1.00 13.74 H new ATOM 0 HE1 HIS B 66 -17.764 -16.415 -11.360 1.00 14.03 H new ATOM 0 HE2 HIS B 66 -18.051 -13.874 -11.183 1.00 14.18 H new ATOM 744 N HIS B 67 -19.770 -14.948 -5.523 1.00 11.87 N ATOM 745 CA HIS B 67 -21.087 -14.296 -5.779 1.00 11.46 C ATOM 746 C HIS B 67 -21.149 -12.962 -5.032 1.00 10.55 C ATOM 747 O HIS B 67 -21.351 -11.919 -5.622 1.00 10.53 O ATOM 748 CB HIS B 67 -22.225 -15.206 -5.297 1.00 11.84 C ATOM 749 CG HIS B 67 -21.740 -16.086 -4.176 1.00 12.35 C ATOM 750 ND1 HIS B 67 -21.924 -15.755 -2.842 1.00 12.68 N ATOM 751 CD2 HIS B 67 -21.081 -17.290 -4.175 1.00 12.80 C ATOM 752 CE1 HIS B 67 -21.385 -16.741 -2.102 1.00 13.29 C ATOM 753 NE2 HIS B 67 -20.857 -17.702 -2.866 1.00 13.39 N ATOM 0 H HIS B 67 -19.462 -14.937 -4.551 1.00 11.87 H new ATOM 0 HA HIS B 67 -21.198 -14.122 -6.849 1.00 11.46 H new ATOM 0 HB2 HIS B 67 -23.066 -14.602 -4.958 1.00 11.84 H new ATOM 0 HB3 HIS B 67 -22.585 -15.820 -6.122 1.00 11.84 H new ATOM 0 HD2 HIS B 67 -20.782 -17.835 -5.058 1.00 12.80 H new ATOM 0 HE1 HIS B 67 -21.380 -16.754 -1.022 1.00 13.29 H new ATOM 0 HE2 HIS B 67 -20.390 -18.554 -2.556 1.00 13.39 H new ATOM 761 N PHE B 68 -20.976 -12.985 -3.739 1.00 10.00 N ATOM 762 CA PHE B 68 -21.025 -11.715 -2.959 1.00 9.29 C ATOM 763 C PHE B 68 -19.699 -11.516 -2.222 1.00 8.27 C ATOM 764 O PHE B 68 -19.668 -11.116 -1.076 1.00 8.29 O ATOM 765 CB PHE B 68 -22.170 -11.781 -1.947 1.00 9.52 C ATOM 766 CG PHE B 68 -23.214 -10.752 -2.308 1.00 10.43 C ATOM 767 CD1 PHE B 68 -23.737 -10.714 -3.606 1.00 11.07 C ATOM 768 CD2 PHE B 68 -23.654 -9.833 -1.349 1.00 10.86 C ATOM 769 CE1 PHE B 68 -24.701 -9.758 -3.945 1.00 12.06 C ATOM 770 CE2 PHE B 68 -24.618 -8.875 -1.688 1.00 11.86 C ATOM 771 CZ PHE B 68 -25.142 -8.839 -2.985 1.00 12.43 C ATOM 0 H PHE B 68 -20.803 -13.827 -3.189 1.00 10.00 H new ATOM 0 HA PHE B 68 -21.190 -10.878 -3.638 1.00 9.29 H new ATOM 0 HB2 PHE B 68 -22.611 -12.778 -1.944 1.00 9.52 H new ATOM 0 HB3 PHE B 68 -21.793 -11.596 -0.941 1.00 9.52 H new ATOM 0 HD1 PHE B 68 -23.396 -11.423 -4.346 1.00 11.07 H new ATOM 0 HD2 PHE B 68 -23.250 -9.862 -0.348 1.00 10.86 H new ATOM 0 HE1 PHE B 68 -25.105 -9.729 -4.946 1.00 12.06 H new ATOM 0 HE2 PHE B 68 -24.957 -8.164 -0.949 1.00 11.86 H new ATOM 0 HZ PHE B 68 -25.887 -8.102 -3.246 1.00 12.43 H new ATOM 781 N SER B 69 -18.603 -11.789 -2.875 1.00 7.61 N ATOM 782 CA SER B 69 -17.278 -11.613 -2.218 1.00 6.80 C ATOM 783 C SER B 69 -17.308 -12.243 -0.824 1.00 5.60 C ATOM 784 O SER B 69 -16.825 -11.674 0.135 1.00 5.39 O ATOM 785 CB SER B 69 -16.965 -10.122 -2.095 1.00 7.36 C ATOM 786 OG SER B 69 -15.588 -9.905 -2.373 1.00 8.12 O ATOM 0 H SER B 69 -18.568 -12.127 -3.837 1.00 7.61 H new ATOM 0 HA SER B 69 -16.509 -12.099 -2.819 1.00 6.80 H new ATOM 0 HB2 SER B 69 -17.582 -9.551 -2.789 1.00 7.36 H new ATOM 0 HB3 SER B 69 -17.205 -9.770 -1.092 1.00 7.36 H new ATOM 0 HG SER B 69 -15.385 -8.949 -2.296 1.00 8.12 H new ATOM 792 N GLU B 70 -17.870 -13.414 -0.704 1.00 5.12 N ATOM 793 CA GLU B 70 -17.927 -14.078 0.629 1.00 4.22 C ATOM 794 C GLU B 70 -16.571 -13.940 1.330 1.00 3.04 C ATOM 795 O GLU B 70 -16.503 -13.449 2.439 1.00 3.18 O ATOM 796 CB GLU B 70 -18.270 -15.559 0.451 1.00 4.88 C ATOM 797 CG GLU B 70 -19.634 -15.846 1.082 1.00 5.77 C ATOM 798 CD GLU B 70 -19.484 -15.933 2.603 1.00 6.71 C ATOM 799 OE1 GLU B 70 -18.819 -16.846 3.061 1.00 7.29 O ATOM 800 OE2 GLU B 70 -20.037 -15.083 3.281 1.00 7.09 O ATOM 0 H GLU B 70 -18.292 -13.939 -1.470 1.00 5.12 H new ATOM 0 HA GLU B 70 -18.696 -13.603 1.238 1.00 4.22 H new ATOM 0 HB2 GLU B 70 -18.286 -15.815 -0.608 1.00 4.88 H new ATOM 0 HB3 GLU B 70 -17.504 -16.179 0.917 1.00 4.88 H new ATOM 0 HG2 GLU B 70 -20.341 -15.059 0.820 1.00 5.77 H new ATOM 0 HG3 GLU B 70 -20.038 -16.780 0.692 1.00 5.77 H new ATOM 807 N PRO B 71 -15.527 -14.372 0.661 1.00 2.28 N ATOM 808 CA PRO B 71 -14.160 -14.295 1.209 1.00 1.48 C ATOM 809 C PRO B 71 -13.771 -12.833 1.456 1.00 1.33 C ATOM 810 O PRO B 71 -12.873 -12.304 0.832 1.00 1.29 O ATOM 811 CB PRO B 71 -13.266 -14.915 0.125 1.00 2.00 C ATOM 812 CG PRO B 71 -14.181 -15.362 -1.043 1.00 2.71 C ATOM 813 CD PRO B 71 -15.623 -14.972 -0.684 1.00 2.87 C ATOM 0 HA PRO B 71 -14.065 -14.813 2.163 1.00 1.48 H new ATOM 0 HB2 PRO B 71 -12.529 -14.191 -0.222 1.00 2.00 H new ATOM 0 HB3 PRO B 71 -12.714 -15.765 0.525 1.00 2.00 H new ATOM 0 HG2 PRO B 71 -13.876 -14.882 -1.973 1.00 2.71 H new ATOM 0 HG3 PRO B 71 -14.104 -16.438 -1.199 1.00 2.71 H new ATOM 0 HD2 PRO B 71 -16.033 -14.264 -1.405 1.00 2.87 H new ATOM 0 HD3 PRO B 71 -16.280 -15.842 -0.683 1.00 2.87 H new ATOM 821 N GLU B 72 -14.448 -12.175 2.359 1.00 1.30 N ATOM 822 CA GLU B 72 -14.126 -10.747 2.642 1.00 1.19 C ATOM 823 C GLU B 72 -12.744 -10.643 3.295 1.00 1.06 C ATOM 824 O GLU B 72 -11.789 -10.225 2.672 1.00 1.01 O ATOM 825 CB GLU B 72 -15.185 -10.163 3.580 1.00 1.29 C ATOM 826 CG GLU B 72 -15.272 -8.650 3.371 1.00 1.90 C ATOM 827 CD GLU B 72 -16.176 -8.352 2.174 1.00 2.25 C ATOM 828 OE1 GLU B 72 -17.375 -8.542 2.302 1.00 2.89 O ATOM 829 OE2 GLU B 72 -15.656 -7.941 1.151 1.00 2.52 O ATOM 0 H GLU B 72 -15.210 -12.565 2.913 1.00 1.30 H new ATOM 0 HA GLU B 72 -14.120 -10.187 1.707 1.00 1.19 H new ATOM 0 HB2 GLU B 72 -16.153 -10.624 3.385 1.00 1.29 H new ATOM 0 HB3 GLU B 72 -14.930 -10.384 4.616 1.00 1.29 H new ATOM 0 HG2 GLU B 72 -15.667 -8.170 4.267 1.00 1.90 H new ATOM 0 HG3 GLU B 72 -14.277 -8.238 3.201 1.00 1.90 H new ATOM 836 N ILE B 73 -12.628 -11.014 4.542 1.00 1.07 N ATOM 837 CA ILE B 73 -11.309 -10.929 5.224 1.00 0.98 C ATOM 838 C ILE B 73 -10.214 -11.447 4.289 1.00 0.89 C ATOM 839 O ILE B 73 -9.182 -10.830 4.125 1.00 0.82 O ATOM 840 CB ILE B 73 -11.349 -11.771 6.502 1.00 1.09 C ATOM 841 CG1 ILE B 73 -10.190 -11.360 7.403 1.00 1.29 C ATOM 842 CG2 ILE B 73 -11.225 -13.257 6.154 1.00 1.27 C ATOM 843 CD1 ILE B 73 -10.724 -10.523 8.565 1.00 2.11 C ATOM 0 H ILE B 73 -13.391 -11.372 5.116 1.00 1.07 H new ATOM 0 HA ILE B 73 -11.093 -9.892 5.481 1.00 0.98 H new ATOM 0 HB ILE B 73 -12.296 -11.606 7.016 1.00 1.09 H new ATOM 0 HG12 ILE B 73 -9.678 -12.244 7.782 1.00 1.29 H new ATOM 0 HG13 ILE B 73 -9.458 -10.787 6.834 1.00 1.29 H new ATOM 0 HG21 ILE B 73 -11.254 -13.849 7.069 1.00 1.27 H new ATOM 0 HG22 ILE B 73 -12.052 -13.549 5.506 1.00 1.27 H new ATOM 0 HG23 ILE B 73 -10.281 -13.432 5.639 1.00 1.27 H new ATOM 0 HD11 ILE B 73 -9.897 -10.228 9.211 1.00 2.11 H new ATOM 0 HD12 ILE B 73 -11.216 -9.632 8.175 1.00 2.11 H new ATOM 0 HD13 ILE B 73 -11.440 -11.112 9.138 1.00 2.11 H new ATOM 855 N THR B 74 -10.435 -12.573 3.669 1.00 0.92 N ATOM 856 CA THR B 74 -9.412 -13.124 2.739 1.00 0.87 C ATOM 857 C THR B 74 -9.066 -12.066 1.688 1.00 0.77 C ATOM 858 O THR B 74 -7.914 -11.812 1.402 1.00 0.69 O ATOM 859 CB THR B 74 -9.965 -14.372 2.050 1.00 0.99 C ATOM 860 OG1 THR B 74 -11.035 -14.000 1.194 1.00 1.57 O ATOM 861 CG2 THR B 74 -10.471 -15.360 3.103 1.00 1.43 C ATOM 0 H THR B 74 -11.281 -13.135 3.767 1.00 0.92 H new ATOM 0 HA THR B 74 -8.515 -13.391 3.297 1.00 0.87 H new ATOM 0 HB THR B 74 -9.176 -14.844 1.465 1.00 0.99 H new ATOM 0 HG1 THR B 74 -11.466 -13.192 1.542 1.00 1.57 H new ATOM 0 HG21 THR B 74 -10.865 -16.248 2.609 1.00 1.43 H new ATOM 0 HG22 THR B 74 -9.649 -15.644 3.760 1.00 1.43 H new ATOM 0 HG23 THR B 74 -11.260 -14.892 3.691 1.00 1.43 H new ATOM 869 N LEU B 75 -10.057 -11.445 1.110 1.00 0.81 N ATOM 870 CA LEU B 75 -9.778 -10.403 0.080 1.00 0.74 C ATOM 871 C LEU B 75 -9.123 -9.194 0.744 1.00 0.62 C ATOM 872 O LEU B 75 -8.146 -8.666 0.256 1.00 0.52 O ATOM 873 CB LEU B 75 -11.082 -9.967 -0.598 1.00 0.87 C ATOM 874 CG LEU B 75 -10.813 -9.646 -2.073 1.00 1.11 C ATOM 875 CD1 LEU B 75 -11.997 -8.869 -2.650 1.00 1.02 C ATOM 876 CD2 LEU B 75 -9.543 -8.798 -2.196 1.00 1.63 C ATOM 0 H LEU B 75 -11.044 -11.612 1.305 1.00 0.81 H new ATOM 0 HA LEU B 75 -9.108 -10.819 -0.672 1.00 0.74 H new ATOM 0 HB2 LEU B 75 -11.827 -10.758 -0.518 1.00 0.87 H new ATOM 0 HB3 LEU B 75 -11.491 -9.091 -0.094 1.00 0.87 H new ATOM 0 HG LEU B 75 -10.681 -10.577 -2.624 1.00 1.11 H new ATOM 0 HD11 LEU B 75 -11.806 -8.641 -3.699 1.00 1.02 H new ATOM 0 HD12 LEU B 75 -12.902 -9.471 -2.569 1.00 1.02 H new ATOM 0 HD13 LEU B 75 -12.128 -7.940 -2.095 1.00 1.02 H new ATOM 0 HD21 LEU B 75 -9.356 -8.573 -3.246 1.00 1.63 H new ATOM 0 HD22 LEU B 75 -9.672 -7.868 -1.643 1.00 1.63 H new ATOM 0 HD23 LEU B 75 -8.696 -9.349 -1.787 1.00 1.63 H new ATOM 888 N ILE B 76 -9.654 -8.736 1.845 1.00 0.66 N ATOM 889 CA ILE B 76 -9.047 -7.551 2.509 1.00 0.59 C ATOM 890 C ILE B 76 -7.576 -7.835 2.820 1.00 0.48 C ATOM 891 O ILE B 76 -6.710 -7.040 2.518 1.00 0.39 O ATOM 892 CB ILE B 76 -9.797 -7.262 3.809 1.00 0.70 C ATOM 893 CG1 ILE B 76 -11.283 -7.056 3.503 1.00 0.89 C ATOM 894 CG2 ILE B 76 -9.229 -5.998 4.455 1.00 0.73 C ATOM 895 CD1 ILE B 76 -12.090 -7.149 4.799 1.00 1.02 C ATOM 0 H ILE B 76 -10.474 -9.128 2.309 1.00 0.66 H new ATOM 0 HA ILE B 76 -9.115 -6.687 1.847 1.00 0.59 H new ATOM 0 HB ILE B 76 -9.679 -8.103 4.493 1.00 0.70 H new ATOM 0 HG12 ILE B 76 -11.437 -6.084 3.035 1.00 0.89 H new ATOM 0 HG13 ILE B 76 -11.627 -7.809 2.794 1.00 0.89 H new ATOM 0 HG21 ILE B 76 -9.764 -5.792 5.382 1.00 0.73 H new ATOM 0 HG22 ILE B 76 -8.171 -6.144 4.671 1.00 0.73 H new ATOM 0 HG23 ILE B 76 -9.347 -5.156 3.773 1.00 0.73 H new ATOM 0 HD11 ILE B 76 -13.148 -7.002 4.580 1.00 1.02 H new ATOM 0 HD12 ILE B 76 -11.945 -8.132 5.248 1.00 1.02 H new ATOM 0 HD13 ILE B 76 -11.753 -6.379 5.494 1.00 1.02 H new ATOM 907 N ILE B 77 -7.275 -8.969 3.400 1.00 0.51 N ATOM 908 CA ILE B 77 -5.847 -9.279 3.690 1.00 0.45 C ATOM 909 C ILE B 77 -5.064 -9.236 2.374 1.00 0.35 C ATOM 910 O ILE B 77 -4.015 -8.632 2.275 1.00 0.30 O ATOM 911 CB ILE B 77 -5.730 -10.663 4.360 1.00 0.52 C ATOM 912 CG1 ILE B 77 -4.589 -10.628 5.380 1.00 1.19 C ATOM 913 CG2 ILE B 77 -5.443 -11.757 3.324 1.00 1.41 C ATOM 914 CD1 ILE B 77 -3.263 -10.393 4.655 1.00 1.86 C ATOM 0 H ILE B 77 -7.947 -9.683 3.681 1.00 0.51 H new ATOM 0 HA ILE B 77 -5.433 -8.543 4.379 1.00 0.45 H new ATOM 0 HB ILE B 77 -6.676 -10.892 4.850 1.00 0.52 H new ATOM 0 HG12 ILE B 77 -4.763 -9.836 6.109 1.00 1.19 H new ATOM 0 HG13 ILE B 77 -4.552 -11.567 5.933 1.00 1.19 H new ATOM 0 HG21 ILE B 77 -5.366 -12.722 3.825 1.00 1.41 H new ATOM 0 HG22 ILE B 77 -6.254 -11.790 2.596 1.00 1.41 H new ATOM 0 HG23 ILE B 77 -4.505 -11.537 2.813 1.00 1.41 H new ATOM 0 HD11 ILE B 77 -2.451 -10.368 5.381 1.00 1.86 H new ATOM 0 HD12 ILE B 77 -3.089 -11.200 3.944 1.00 1.86 H new ATOM 0 HD13 ILE B 77 -3.303 -9.443 4.123 1.00 1.86 H new ATOM 926 N PHE B 78 -5.585 -9.874 1.358 1.00 0.37 N ATOM 927 CA PHE B 78 -4.896 -9.879 0.038 1.00 0.34 C ATOM 928 C PHE B 78 -4.696 -8.441 -0.436 1.00 0.29 C ATOM 929 O PHE B 78 -3.627 -8.065 -0.874 1.00 0.27 O ATOM 930 CB PHE B 78 -5.748 -10.642 -0.981 1.00 0.44 C ATOM 931 CG PHE B 78 -5.996 -12.048 -0.483 1.00 1.05 C ATOM 932 CD1 PHE B 78 -5.087 -12.653 0.396 1.00 1.80 C ATOM 933 CD2 PHE B 78 -7.134 -12.748 -0.901 1.00 1.97 C ATOM 934 CE1 PHE B 78 -5.317 -13.955 0.855 1.00 2.57 C ATOM 935 CE2 PHE B 78 -7.364 -14.050 -0.441 1.00 2.71 C ATOM 936 CZ PHE B 78 -6.456 -14.653 0.437 1.00 2.81 C ATOM 0 H PHE B 78 -6.462 -10.393 1.388 1.00 0.37 H new ATOM 0 HA PHE B 78 -3.926 -10.367 0.135 1.00 0.34 H new ATOM 0 HB2 PHE B 78 -6.696 -10.127 -1.135 1.00 0.44 H new ATOM 0 HB3 PHE B 78 -5.241 -10.671 -1.945 1.00 0.44 H new ATOM 0 HD1 PHE B 78 -4.209 -12.114 0.719 1.00 1.80 H new ATOM 0 HD2 PHE B 78 -7.835 -12.283 -1.579 1.00 1.97 H new ATOM 0 HE1 PHE B 78 -4.616 -14.421 1.532 1.00 2.57 H new ATOM 0 HE2 PHE B 78 -8.242 -14.589 -0.764 1.00 2.71 H new ATOM 0 HZ PHE B 78 -6.634 -15.657 0.792 1.00 2.81 H new ATOM 946 N GLY B 79 -5.718 -7.632 -0.358 1.00 0.30 N ATOM 947 CA GLY B 79 -5.581 -6.220 -0.812 1.00 0.28 C ATOM 948 C GLY B 79 -4.442 -5.545 -0.049 1.00 0.22 C ATOM 949 O GLY B 79 -3.599 -4.891 -0.631 1.00 0.23 O ATOM 0 H GLY B 79 -6.639 -7.887 -0.001 1.00 0.30 H new ATOM 0 HA2 GLY B 79 -5.383 -6.189 -1.883 1.00 0.28 H new ATOM 0 HA3 GLY B 79 -6.514 -5.681 -0.645 1.00 0.28 H new ATOM 953 N VAL B 80 -4.398 -5.694 1.249 1.00 0.22 N ATOM 954 CA VAL B 80 -3.299 -5.052 2.018 1.00 0.23 C ATOM 955 C VAL B 80 -1.958 -5.544 1.472 1.00 0.22 C ATOM 956 O VAL B 80 -1.067 -4.765 1.184 1.00 0.23 O ATOM 957 CB VAL B 80 -3.430 -5.422 3.497 1.00 0.27 C ATOM 958 CG1 VAL B 80 -2.359 -4.687 4.303 1.00 0.33 C ATOM 959 CG2 VAL B 80 -4.819 -5.012 4.000 1.00 0.30 C ATOM 0 H VAL B 80 -5.069 -6.227 1.802 1.00 0.22 H new ATOM 0 HA VAL B 80 -3.356 -3.968 1.917 1.00 0.23 H new ATOM 0 HB VAL B 80 -3.300 -6.497 3.618 1.00 0.27 H new ATOM 0 HG11 VAL B 80 -2.452 -4.950 5.357 1.00 0.33 H new ATOM 0 HG12 VAL B 80 -1.371 -4.975 3.943 1.00 0.33 H new ATOM 0 HG13 VAL B 80 -2.489 -3.611 4.185 1.00 0.33 H new ATOM 0 HG21 VAL B 80 -4.916 -5.274 5.054 1.00 0.30 H new ATOM 0 HG22 VAL B 80 -4.946 -3.936 3.880 1.00 0.30 H new ATOM 0 HG23 VAL B 80 -5.583 -5.534 3.424 1.00 0.30 H new ATOM 969 N MET B 81 -1.816 -6.830 1.294 1.00 0.22 N ATOM 970 CA MET B 81 -0.544 -7.363 0.734 1.00 0.23 C ATOM 971 C MET B 81 -0.295 -6.720 -0.631 1.00 0.24 C ATOM 972 O MET B 81 0.788 -6.256 -0.931 1.00 0.25 O ATOM 973 CB MET B 81 -0.651 -8.882 0.569 1.00 0.26 C ATOM 974 CG MET B 81 -1.094 -9.510 1.891 1.00 0.32 C ATOM 975 SD MET B 81 0.126 -10.743 2.411 1.00 1.15 S ATOM 976 CE MET B 81 1.567 -9.649 2.415 1.00 1.83 C ATOM 0 H MET B 81 -2.524 -7.531 1.512 1.00 0.22 H new ATOM 0 HA MET B 81 0.280 -7.132 1.409 1.00 0.23 H new ATOM 0 HB2 MET B 81 -1.366 -9.123 -0.218 1.00 0.26 H new ATOM 0 HB3 MET B 81 0.311 -9.294 0.263 1.00 0.26 H new ATOM 0 HG2 MET B 81 -1.197 -8.740 2.655 1.00 0.32 H new ATOM 0 HG3 MET B 81 -2.072 -9.977 1.775 1.00 0.32 H new ATOM 0 HE1 MET B 81 2.311 -10.030 3.114 1.00 1.83 H new ATOM 0 HE2 MET B 81 1.996 -9.609 1.414 1.00 1.83 H new ATOM 0 HE3 MET B 81 1.263 -8.648 2.720 1.00 1.83 H new ATOM 986 N ALA B 82 -1.304 -6.696 -1.461 1.00 0.25 N ATOM 987 CA ALA B 82 -1.157 -6.094 -2.816 1.00 0.27 C ATOM 988 C ALA B 82 -0.701 -4.634 -2.699 1.00 0.26 C ATOM 989 O ALA B 82 0.200 -4.208 -3.392 1.00 0.27 O ATOM 990 CB ALA B 82 -2.488 -6.180 -3.577 1.00 0.31 C ATOM 0 H ALA B 82 -2.230 -7.071 -1.255 1.00 0.25 H new ATOM 0 HA ALA B 82 -0.401 -6.650 -3.370 1.00 0.27 H new ATOM 0 HB1 ALA B 82 -2.371 -5.738 -4.566 1.00 0.31 H new ATOM 0 HB2 ALA B 82 -2.782 -7.225 -3.679 1.00 0.31 H new ATOM 0 HB3 ALA B 82 -3.258 -5.639 -3.026 1.00 0.31 H new ATOM 996 N GLY B 83 -1.313 -3.855 -1.840 1.00 0.25 N ATOM 997 CA GLY B 83 -0.894 -2.431 -1.715 1.00 0.26 C ATOM 998 C GLY B 83 0.593 -2.369 -1.376 1.00 0.24 C ATOM 999 O GLY B 83 1.348 -1.629 -1.979 1.00 0.24 O ATOM 0 H GLY B 83 -2.076 -4.143 -1.228 1.00 0.25 H new ATOM 0 HA2 GLY B 83 -1.088 -1.900 -2.647 1.00 0.26 H new ATOM 0 HA3 GLY B 83 -1.477 -1.936 -0.938 1.00 0.26 H new ATOM 1003 N VAL B 84 1.024 -3.146 -0.421 1.00 0.22 N ATOM 1004 CA VAL B 84 2.467 -3.130 -0.055 1.00 0.21 C ATOM 1005 C VAL B 84 3.313 -3.462 -1.289 1.00 0.21 C ATOM 1006 O VAL B 84 4.286 -2.796 -1.583 1.00 0.21 O ATOM 1007 CB VAL B 84 2.725 -4.172 1.035 1.00 0.23 C ATOM 1008 CG1 VAL B 84 4.232 -4.360 1.217 1.00 0.28 C ATOM 1009 CG2 VAL B 84 2.107 -3.695 2.351 1.00 0.31 C ATOM 0 H VAL B 84 0.443 -3.788 0.119 1.00 0.22 H new ATOM 0 HA VAL B 84 2.738 -2.141 0.314 1.00 0.21 H new ATOM 0 HB VAL B 84 2.275 -5.121 0.744 1.00 0.23 H new ATOM 0 HG11 VAL B 84 4.415 -5.103 1.994 1.00 0.28 H new ATOM 0 HG12 VAL B 84 4.672 -4.700 0.279 1.00 0.28 H new ATOM 0 HG13 VAL B 84 4.684 -3.412 1.508 1.00 0.28 H new ATOM 0 HG21 VAL B 84 2.290 -4.436 3.129 1.00 0.31 H new ATOM 0 HG22 VAL B 84 2.557 -2.746 2.641 1.00 0.31 H new ATOM 0 HG23 VAL B 84 1.033 -3.562 2.222 1.00 0.31 H new ATOM 1019 N ILE B 85 2.953 -4.491 -2.012 1.00 0.23 N ATOM 1020 CA ILE B 85 3.739 -4.866 -3.222 1.00 0.25 C ATOM 1021 C ILE B 85 3.807 -3.688 -4.200 1.00 0.26 C ATOM 1022 O ILE B 85 4.860 -3.358 -4.708 1.00 0.26 O ATOM 1023 CB ILE B 85 3.075 -6.060 -3.911 1.00 0.30 C ATOM 1024 CG1 ILE B 85 3.021 -7.242 -2.940 1.00 0.32 C ATOM 1025 CG2 ILE B 85 3.890 -6.454 -5.144 1.00 0.40 C ATOM 1026 CD1 ILE B 85 4.437 -7.764 -2.692 1.00 1.06 C ATOM 0 H ILE B 85 2.149 -5.087 -1.816 1.00 0.23 H new ATOM 0 HA ILE B 85 4.751 -5.131 -2.916 1.00 0.25 H new ATOM 0 HB ILE B 85 2.063 -5.789 -4.214 1.00 0.30 H new ATOM 0 HG12 ILE B 85 2.566 -6.933 -1.999 1.00 0.32 H new ATOM 0 HG13 ILE B 85 2.396 -8.035 -3.351 1.00 0.32 H new ATOM 0 HG21 ILE B 85 3.418 -7.305 -5.636 1.00 0.40 H new ATOM 0 HG22 ILE B 85 3.933 -5.613 -5.836 1.00 0.40 H new ATOM 0 HG23 ILE B 85 4.901 -6.726 -4.840 1.00 0.40 H new ATOM 0 HD11 ILE B 85 4.399 -8.606 -2.001 1.00 1.06 H new ATOM 0 HD12 ILE B 85 4.875 -8.089 -3.636 1.00 1.06 H new ATOM 0 HD13 ILE B 85 5.048 -6.970 -2.263 1.00 1.06 H new ATOM 1038 N GLY B 86 2.697 -3.052 -4.476 1.00 0.27 N ATOM 1039 CA GLY B 86 2.724 -1.906 -5.430 1.00 0.30 C ATOM 1040 C GLY B 86 3.710 -0.852 -4.927 1.00 0.27 C ATOM 1041 O GLY B 86 4.545 -0.365 -5.666 1.00 0.29 O ATOM 0 H GLY B 86 1.782 -3.275 -4.085 1.00 0.27 H new ATOM 0 HA2 GLY B 86 3.017 -2.251 -6.422 1.00 0.30 H new ATOM 0 HA3 GLY B 86 1.728 -1.473 -5.524 1.00 0.30 H new ATOM 1045 N THR B 87 3.634 -0.507 -3.672 1.00 0.24 N ATOM 1046 CA THR B 87 4.580 0.501 -3.122 1.00 0.24 C ATOM 1047 C THR B 87 6.012 0.012 -3.348 1.00 0.24 C ATOM 1048 O THR B 87 6.870 0.746 -3.799 1.00 0.28 O ATOM 1049 CB THR B 87 4.328 0.685 -1.626 1.00 0.25 C ATOM 1050 OG1 THR B 87 2.964 1.022 -1.415 1.00 0.32 O ATOM 1051 CG2 THR B 87 5.223 1.805 -1.090 1.00 0.28 C ATOM 0 H THR B 87 2.958 -0.879 -3.005 1.00 0.24 H new ATOM 0 HA THR B 87 4.433 1.457 -3.625 1.00 0.24 H new ATOM 0 HB THR B 87 4.558 -0.242 -1.101 1.00 0.25 H new ATOM 0 HG1 THR B 87 2.415 0.212 -1.467 1.00 0.32 H new ATOM 0 HG21 THR B 87 5.043 1.936 -0.023 1.00 0.28 H new ATOM 0 HG22 THR B 87 6.269 1.544 -1.252 1.00 0.28 H new ATOM 0 HG23 THR B 87 4.996 2.734 -1.613 1.00 0.28 H new ATOM 1059 N ILE B 88 6.270 -1.228 -3.033 1.00 0.23 N ATOM 1060 CA ILE B 88 7.639 -1.784 -3.220 1.00 0.29 C ATOM 1061 C ILE B 88 8.066 -1.629 -4.681 1.00 0.33 C ATOM 1062 O ILE B 88 9.166 -1.202 -4.971 1.00 0.40 O ATOM 1063 CB ILE B 88 7.641 -3.266 -2.842 1.00 0.33 C ATOM 1064 CG1 ILE B 88 7.470 -3.403 -1.327 1.00 0.34 C ATOM 1065 CG2 ILE B 88 8.968 -3.900 -3.263 1.00 0.40 C ATOM 1066 CD1 ILE B 88 7.755 -4.847 -0.909 1.00 0.41 C ATOM 0 H ILE B 88 5.587 -1.883 -2.652 1.00 0.23 H new ATOM 0 HA ILE B 88 8.338 -1.243 -2.583 1.00 0.29 H new ATOM 0 HB ILE B 88 6.820 -3.772 -3.350 1.00 0.33 H new ATOM 0 HG12 ILE B 88 8.148 -2.723 -0.811 1.00 0.34 H new ATOM 0 HG13 ILE B 88 6.457 -3.123 -1.038 1.00 0.34 H new ATOM 0 HG21 ILE B 88 8.968 -4.956 -2.993 1.00 0.40 H new ATOM 0 HG22 ILE B 88 9.093 -3.801 -4.341 1.00 0.40 H new ATOM 0 HG23 ILE B 88 9.790 -3.395 -2.755 1.00 0.40 H new ATOM 0 HD11 ILE B 88 7.633 -4.944 0.170 1.00 0.41 H new ATOM 0 HD12 ILE B 88 7.059 -5.516 -1.415 1.00 0.41 H new ATOM 0 HD13 ILE B 88 8.776 -5.111 -1.184 1.00 0.41 H new ATOM 1078 N LEU B 89 7.213 -1.978 -5.606 1.00 0.33 N ATOM 1079 CA LEU B 89 7.590 -1.850 -7.041 1.00 0.41 C ATOM 1080 C LEU B 89 7.985 -0.395 -7.326 1.00 0.44 C ATOM 1081 O LEU B 89 9.000 -0.130 -7.938 1.00 0.51 O ATOM 1082 CB LEU B 89 6.411 -2.314 -7.931 1.00 0.44 C ATOM 1083 CG LEU B 89 5.679 -1.129 -8.581 1.00 0.76 C ATOM 1084 CD1 LEU B 89 6.539 -0.544 -9.705 1.00 1.14 C ATOM 1085 CD2 LEU B 89 4.352 -1.617 -9.165 1.00 1.06 C ATOM 0 H LEU B 89 6.277 -2.344 -5.431 1.00 0.33 H new ATOM 0 HA LEU B 89 8.445 -2.486 -7.270 1.00 0.41 H new ATOM 0 HB2 LEU B 89 6.784 -2.980 -8.709 1.00 0.44 H new ATOM 0 HB3 LEU B 89 5.707 -2.889 -7.329 1.00 0.44 H new ATOM 0 HG LEU B 89 5.494 -0.361 -7.830 1.00 0.76 H new ATOM 0 HD11 LEU B 89 6.017 0.296 -10.163 1.00 1.14 H new ATOM 0 HD12 LEU B 89 7.489 -0.201 -9.295 1.00 1.14 H new ATOM 0 HD13 LEU B 89 6.724 -1.310 -10.458 1.00 1.14 H new ATOM 0 HD21 LEU B 89 3.828 -0.780 -9.627 1.00 1.06 H new ATOM 0 HD22 LEU B 89 4.545 -2.384 -9.915 1.00 1.06 H new ATOM 0 HD23 LEU B 89 3.736 -2.035 -8.369 1.00 1.06 H new ATOM 1097 N LEU B 90 7.201 0.548 -6.878 1.00 0.40 N ATOM 1098 CA LEU B 90 7.559 1.978 -7.124 1.00 0.47 C ATOM 1099 C LEU B 90 8.950 2.244 -6.544 1.00 0.51 C ATOM 1100 O LEU B 90 9.803 2.823 -7.187 1.00 0.60 O ATOM 1101 CB LEU B 90 6.539 2.903 -6.447 1.00 0.47 C ATOM 1102 CG LEU B 90 5.702 3.608 -7.516 1.00 1.14 C ATOM 1103 CD1 LEU B 90 6.628 4.320 -8.502 1.00 2.02 C ATOM 1104 CD2 LEU B 90 4.855 2.576 -8.265 1.00 1.67 C ATOM 0 H LEU B 90 6.337 0.395 -6.358 1.00 0.40 H new ATOM 0 HA LEU B 90 7.554 2.174 -8.196 1.00 0.47 H new ATOM 0 HB2 LEU B 90 5.893 2.327 -5.785 1.00 0.47 H new ATOM 0 HB3 LEU B 90 7.053 3.639 -5.829 1.00 0.47 H new ATOM 0 HG LEU B 90 5.047 4.339 -7.041 1.00 1.14 H new ATOM 0 HD11 LEU B 90 6.031 4.822 -9.264 1.00 2.02 H new ATOM 0 HD12 LEU B 90 7.230 5.056 -7.969 1.00 2.02 H new ATOM 0 HD13 LEU B 90 7.284 3.590 -8.977 1.00 2.02 H new ATOM 0 HD21 LEU B 90 4.259 3.078 -9.027 1.00 1.67 H new ATOM 0 HD22 LEU B 90 5.509 1.845 -8.740 1.00 1.67 H new ATOM 0 HD23 LEU B 90 4.194 2.069 -7.562 1.00 1.67 H new ATOM 1116 N ILE B 91 9.186 1.813 -5.335 1.00 0.47 N ATOM 1117 CA ILE B 91 10.522 2.025 -4.707 1.00 0.57 C ATOM 1118 C ILE B 91 11.605 1.404 -5.586 1.00 0.65 C ATOM 1119 O ILE B 91 12.624 2.008 -5.849 1.00 0.77 O ATOM 1120 CB ILE B 91 10.550 1.367 -3.326 1.00 0.55 C ATOM 1121 CG1 ILE B 91 9.565 2.082 -2.398 1.00 0.51 C ATOM 1122 CG2 ILE B 91 11.960 1.465 -2.742 1.00 0.66 C ATOM 1123 CD1 ILE B 91 9.312 1.218 -1.161 1.00 0.54 C ATOM 0 H ILE B 91 8.508 1.321 -4.752 1.00 0.47 H new ATOM 0 HA ILE B 91 10.706 3.094 -4.604 1.00 0.57 H new ATOM 0 HB ILE B 91 10.266 0.319 -3.419 1.00 0.55 H new ATOM 0 HG12 ILE B 91 9.966 3.051 -2.102 1.00 0.51 H new ATOM 0 HG13 ILE B 91 8.627 2.271 -2.921 1.00 0.51 H new ATOM 0 HG21 ILE B 91 11.980 0.996 -1.758 1.00 0.66 H new ATOM 0 HG22 ILE B 91 12.663 0.955 -3.401 1.00 0.66 H new ATOM 0 HG23 ILE B 91 12.244 2.513 -2.650 1.00 0.66 H new ATOM 0 HD11 ILE B 91 8.611 1.726 -0.499 1.00 0.54 H new ATOM 0 HD12 ILE B 91 8.893 0.259 -1.466 1.00 0.54 H new ATOM 0 HD13 ILE B 91 10.252 1.052 -0.635 1.00 0.54 H new ATOM 1135 N SER B 92 11.402 0.194 -6.034 1.00 0.63 N ATOM 1136 CA SER B 92 12.435 -0.455 -6.883 1.00 0.76 C ATOM 1137 C SER B 92 12.714 0.423 -8.102 1.00 0.83 C ATOM 1138 O SER B 92 13.852 0.692 -8.432 1.00 0.95 O ATOM 1139 CB SER B 92 11.929 -1.822 -7.344 1.00 0.74 C ATOM 1140 OG SER B 92 12.531 -2.837 -6.551 1.00 1.53 O ATOM 0 H SER B 92 10.571 -0.368 -5.849 1.00 0.63 H new ATOM 0 HA SER B 92 13.352 -0.582 -6.308 1.00 0.76 H new ATOM 0 HB2 SER B 92 10.844 -1.870 -7.254 1.00 0.74 H new ATOM 0 HB3 SER B 92 12.169 -1.976 -8.396 1.00 0.74 H new ATOM 0 HG SER B 92 12.208 -3.715 -6.843 1.00 1.53 H new ATOM 1146 N TYR B 93 11.692 0.887 -8.771 1.00 0.77 N ATOM 1147 CA TYR B 93 11.931 1.756 -9.957 1.00 0.87 C ATOM 1148 C TYR B 93 12.760 2.970 -9.527 1.00 0.94 C ATOM 1149 O TYR B 93 13.748 3.312 -10.147 1.00 1.07 O ATOM 1150 CB TYR B 93 10.591 2.226 -10.526 1.00 0.83 C ATOM 1151 CG TYR B 93 10.364 1.581 -11.872 1.00 1.09 C ATOM 1152 CD1 TYR B 93 11.234 1.854 -12.935 1.00 1.74 C ATOM 1153 CD2 TYR B 93 9.285 0.709 -12.058 1.00 1.68 C ATOM 1154 CE1 TYR B 93 11.024 1.255 -14.183 1.00 1.99 C ATOM 1155 CE2 TYR B 93 9.074 0.111 -13.306 1.00 2.03 C ATOM 1156 CZ TYR B 93 9.945 0.384 -14.368 1.00 1.84 C ATOM 1157 OH TYR B 93 9.738 -0.207 -15.599 1.00 2.25 O ATOM 0 H TYR B 93 10.713 0.704 -8.550 1.00 0.77 H new ATOM 0 HA TYR B 93 12.468 1.196 -10.722 1.00 0.87 H new ATOM 0 HB2 TYR B 93 9.782 1.964 -9.844 1.00 0.83 H new ATOM 0 HB3 TYR B 93 10.586 3.311 -10.625 1.00 0.83 H new ATOM 0 HD1 TYR B 93 12.067 2.527 -12.792 1.00 1.74 H new ATOM 0 HD2 TYR B 93 8.615 0.497 -11.238 1.00 1.68 H new ATOM 0 HE1 TYR B 93 11.695 1.465 -15.003 1.00 1.99 H new ATOM 0 HE2 TYR B 93 8.240 -0.560 -13.450 1.00 2.03 H new ATOM 0 HH TYR B 93 8.947 -0.784 -15.556 1.00 2.25 H new ATOM 1167 N GLY B 94 12.378 3.610 -8.452 1.00 0.88 N ATOM 1168 CA GLY B 94 13.156 4.782 -7.965 1.00 0.98 C ATOM 1169 C GLY B 94 14.596 4.344 -7.713 1.00 1.10 C ATOM 1170 O GLY B 94 15.541 4.993 -8.116 1.00 1.24 O ATOM 0 H GLY B 94 11.560 3.370 -7.892 1.00 0.88 H new ATOM 0 HA2 GLY B 94 13.129 5.586 -8.701 1.00 0.98 H new ATOM 0 HA3 GLY B 94 12.715 5.174 -7.049 1.00 0.98 H new ATOM 1174 N ILE B 95 14.764 3.238 -7.043 1.00 1.07 N ATOM 1175 CA ILE B 95 16.139 2.736 -6.750 1.00 1.22 C ATOM 1176 C ILE B 95 16.903 2.560 -8.071 1.00 1.34 C ATOM 1177 O ILE B 95 18.039 2.971 -8.195 1.00 1.50 O ATOM 1178 CB ILE B 95 16.052 1.394 -5.988 1.00 1.20 C ATOM 1179 CG1 ILE B 95 16.053 1.663 -4.478 1.00 1.37 C ATOM 1180 CG2 ILE B 95 17.251 0.500 -6.329 1.00 1.50 C ATOM 1181 CD1 ILE B 95 17.351 2.373 -4.088 1.00 1.81 C ATOM 0 H ILE B 95 14.007 2.657 -6.684 1.00 1.07 H new ATOM 0 HA ILE B 95 16.671 3.453 -6.125 1.00 1.22 H new ATOM 0 HB ILE B 95 15.132 0.889 -6.283 1.00 1.20 H new ATOM 0 HG12 ILE B 95 15.194 2.277 -4.206 1.00 1.37 H new ATOM 0 HG13 ILE B 95 15.960 0.725 -3.931 1.00 1.37 H new ATOM 0 HG21 ILE B 95 17.171 -0.440 -5.783 1.00 1.50 H new ATOM 0 HG22 ILE B 95 17.261 0.297 -7.400 1.00 1.50 H new ATOM 0 HG23 ILE B 95 18.174 1.006 -6.047 1.00 1.50 H new ATOM 0 HD11 ILE B 95 17.353 2.565 -3.015 1.00 1.81 H new ATOM 0 HD12 ILE B 95 18.202 1.742 -4.345 1.00 1.81 H new ATOM 0 HD13 ILE B 95 17.424 3.318 -4.626 1.00 1.81 H new ATOM 1193 N ARG B 96 16.298 1.946 -9.053 1.00 1.29 N ATOM 1194 CA ARG B 96 17.012 1.748 -10.348 1.00 1.42 C ATOM 1195 C ARG B 96 17.462 3.104 -10.894 1.00 1.52 C ATOM 1196 O ARG B 96 18.590 3.277 -11.306 1.00 1.68 O ATOM 1197 CB ARG B 96 16.070 1.086 -11.357 1.00 1.36 C ATOM 1198 CG ARG B 96 15.252 -0.002 -10.662 1.00 1.61 C ATOM 1199 CD ARG B 96 15.162 -1.229 -11.569 1.00 1.77 C ATOM 1200 NE ARG B 96 13.734 -1.500 -11.897 1.00 1.70 N ATOM 1201 CZ ARG B 96 13.432 -2.294 -12.888 1.00 2.10 C ATOM 1202 NH1 ARG B 96 13.376 -3.584 -12.696 1.00 2.54 N ATOM 1203 NH2 ARG B 96 13.185 -1.800 -14.071 1.00 2.69 N ATOM 0 H ARG B 96 15.348 1.576 -9.016 1.00 1.29 H new ATOM 0 HA ARG B 96 17.881 1.110 -10.187 1.00 1.42 H new ATOM 0 HB2 ARG B 96 15.405 1.832 -11.792 1.00 1.36 H new ATOM 0 HB3 ARG B 96 16.645 0.655 -12.177 1.00 1.36 H new ATOM 0 HG2 ARG B 96 15.716 -0.271 -9.713 1.00 1.61 H new ATOM 0 HG3 ARG B 96 14.253 0.369 -10.434 1.00 1.61 H new ATOM 0 HD2 ARG B 96 15.731 -1.061 -12.484 1.00 1.77 H new ATOM 0 HD3 ARG B 96 15.603 -2.094 -11.074 1.00 1.77 H new ATOM 0 HE ARG B 96 12.993 -1.065 -11.347 1.00 1.70 H new ATOM 0 HH11 ARG B 96 13.568 -3.971 -11.772 1.00 2.54 H new ATOM 0 HH12 ARG B 96 13.140 -4.205 -13.470 1.00 2.54 H new ATOM 0 HH21 ARG B 96 13.228 -0.792 -14.222 1.00 2.69 H new ATOM 0 HH22 ARG B 96 12.949 -2.422 -14.844 1.00 2.69 H new ATOM 1217 N ARG B 97 16.593 4.072 -10.907 1.00 1.43 N ATOM 1218 CA ARG B 97 17.000 5.405 -11.424 1.00 1.55 C ATOM 1219 C ARG B 97 18.196 5.925 -10.619 1.00 1.67 C ATOM 1220 O ARG B 97 19.172 6.396 -11.168 1.00 1.83 O ATOM 1221 CB ARG B 97 15.830 6.385 -11.305 1.00 1.45 C ATOM 1222 CG ARG B 97 16.328 7.811 -11.547 1.00 1.62 C ATOM 1223 CD ARG B 97 15.220 8.636 -12.207 1.00 1.72 C ATOM 1224 NE ARG B 97 14.598 9.537 -11.196 1.00 2.17 N ATOM 1225 CZ ARG B 97 13.857 10.539 -11.583 1.00 2.50 C ATOM 1226 NH1 ARG B 97 14.419 11.638 -12.009 1.00 2.89 N ATOM 1227 NH2 ARG B 97 12.557 10.444 -11.545 1.00 3.17 N ATOM 0 H ARG B 97 15.628 4.000 -10.586 1.00 1.43 H new ATOM 0 HA ARG B 97 17.284 5.314 -12.472 1.00 1.55 H new ATOM 0 HB2 ARG B 97 15.055 6.132 -12.029 1.00 1.45 H new ATOM 0 HB3 ARG B 97 15.379 6.310 -10.316 1.00 1.45 H new ATOM 0 HG2 ARG B 97 16.623 8.269 -10.603 1.00 1.62 H new ATOM 0 HG3 ARG B 97 17.212 7.795 -12.184 1.00 1.62 H new ATOM 0 HD2 ARG B 97 15.630 9.223 -13.029 1.00 1.72 H new ATOM 0 HD3 ARG B 97 14.465 7.975 -12.633 1.00 1.72 H new ATOM 0 HE ARG B 97 14.751 9.370 -10.201 1.00 2.17 H new ATOM 0 HH11 ARG B 97 15.436 11.712 -12.039 1.00 2.89 H new ATOM 0 HH12 ARG B 97 13.841 12.422 -12.312 1.00 2.89 H new ATOM 0 HH21 ARG B 97 12.118 9.586 -11.212 1.00 3.17 H new ATOM 0 HH22 ARG B 97 11.979 11.228 -11.848 1.00 3.17 H new ATOM 1241 N LEU B 98 18.120 5.848 -9.318 1.00 1.62 N ATOM 1242 CA LEU B 98 19.240 6.341 -8.468 1.00 1.76 C ATOM 1243 C LEU B 98 20.541 5.624 -8.839 1.00 1.92 C ATOM 1244 O LEU B 98 21.575 6.240 -9.004 1.00 2.09 O ATOM 1245 CB LEU B 98 18.914 6.075 -6.998 1.00 1.69 C ATOM 1246 CG LEU B 98 18.875 7.401 -6.236 1.00 1.72 C ATOM 1247 CD1 LEU B 98 18.237 7.184 -4.863 1.00 1.72 C ATOM 1248 CD2 LEU B 98 20.302 7.925 -6.059 1.00 2.01 C ATOM 0 H LEU B 98 17.326 5.463 -8.806 1.00 1.62 H new ATOM 0 HA LEU B 98 19.367 7.411 -8.631 1.00 1.76 H new ATOM 0 HB2 LEU B 98 17.954 5.567 -6.914 1.00 1.69 H new ATOM 0 HB3 LEU B 98 19.664 5.415 -6.562 1.00 1.69 H new ATOM 0 HG LEU B 98 18.286 8.127 -6.797 1.00 1.72 H new ATOM 0 HD11 LEU B 98 18.210 8.129 -4.321 1.00 1.72 H new ATOM 0 HD12 LEU B 98 17.222 6.808 -4.989 1.00 1.72 H new ATOM 0 HD13 LEU B 98 18.824 6.459 -4.299 1.00 1.72 H new ATOM 0 HD21 LEU B 98 20.278 8.870 -5.516 1.00 2.01 H new ATOM 0 HD22 LEU B 98 20.889 7.199 -5.497 1.00 2.01 H new ATOM 0 HD23 LEU B 98 20.757 8.080 -7.037 1.00 2.01 H new ATOM 1260 N ILE B 99 20.500 4.326 -8.963 1.00 1.89 N ATOM 1261 CA ILE B 99 21.738 3.569 -9.312 1.00 2.07 C ATOM 1262 C ILE B 99 21.983 3.643 -10.820 1.00 2.17 C ATOM 1263 O ILE B 99 23.052 3.319 -11.299 1.00 2.50 O ATOM 1264 CB ILE B 99 21.575 2.107 -8.895 1.00 2.14 C ATOM 1265 CG1 ILE B 99 20.192 1.609 -9.318 1.00 2.13 C ATOM 1266 CG2 ILE B 99 21.716 1.991 -7.376 1.00 2.25 C ATOM 1267 CD1 ILE B 99 20.338 0.318 -10.126 1.00 2.38 C ATOM 0 H ILE B 99 19.664 3.756 -8.838 1.00 1.89 H new ATOM 0 HA ILE B 99 22.587 4.007 -8.787 1.00 2.07 H new ATOM 0 HB ILE B 99 22.343 1.503 -9.378 1.00 2.14 H new ATOM 0 HG12 ILE B 99 19.573 1.432 -8.438 1.00 2.13 H new ATOM 0 HG13 ILE B 99 19.687 2.369 -9.915 1.00 2.13 H new ATOM 0 HG21 ILE B 99 21.600 0.949 -7.078 1.00 2.25 H new ATOM 0 HG22 ILE B 99 22.701 2.347 -7.074 1.00 2.25 H new ATOM 0 HG23 ILE B 99 20.948 2.594 -6.892 1.00 2.25 H new ATOM 0 HD11 ILE B 99 19.352 -0.036 -10.427 1.00 2.38 H new ATOM 0 HD12 ILE B 99 20.941 0.510 -11.013 1.00 2.38 H new ATOM 0 HD13 ILE B 99 20.825 -0.441 -9.514 1.00 2.38 H new ATOM 1279 N LYS B 100 21.007 4.065 -11.574 1.00 2.25 N ATOM 1280 CA LYS B 100 21.195 4.153 -13.049 1.00 2.60 C ATOM 1281 C LYS B 100 20.378 5.323 -13.599 1.00 2.97 C ATOM 1282 O LYS B 100 19.208 5.467 -13.307 1.00 3.27 O ATOM 1283 CB LYS B 100 20.725 2.852 -13.701 1.00 2.80 C ATOM 1284 CG LYS B 100 21.518 2.610 -14.988 1.00 3.38 C ATOM 1285 CD LYS B 100 22.048 1.175 -15.000 1.00 3.94 C ATOM 1286 CE LYS B 100 21.266 0.350 -16.024 1.00 4.56 C ATOM 1287 NZ LYS B 100 21.714 -1.069 -15.967 1.00 5.22 N ATOM 0 H LYS B 100 20.089 4.352 -11.234 1.00 2.25 H new ATOM 0 HA LYS B 100 22.250 4.311 -13.272 1.00 2.60 H new ATOM 0 HB2 LYS B 100 20.864 2.018 -13.014 1.00 2.80 H new ATOM 0 HB3 LYS B 100 19.659 2.908 -13.923 1.00 2.80 H new ATOM 0 HG2 LYS B 100 20.882 2.781 -15.857 1.00 3.38 H new ATOM 0 HG3 LYS B 100 22.346 3.315 -15.055 1.00 3.38 H new ATOM 0 HD2 LYS B 100 23.109 1.170 -15.248 1.00 3.94 H new ATOM 0 HD3 LYS B 100 21.950 0.732 -14.009 1.00 3.94 H new ATOM 0 HE2 LYS B 100 20.198 0.413 -15.818 1.00 4.56 H new ATOM 0 HE3 LYS B 100 21.422 0.751 -17.025 1.00 4.56 H new ATOM 0 HZ1 LYS B 100 21.182 -1.629 -16.663 1.00 5.22 H new ATOM 0 HZ2 LYS B 100 22.730 -1.121 -16.184 1.00 5.22 H new ATOM 0 HZ3 LYS B 100 21.543 -1.449 -15.014 1.00 5.22 H new ATOM 1301 N LYS B 101 20.988 6.161 -14.393 1.00 3.27 N ATOM 1302 CA LYS B 101 20.248 7.322 -14.962 1.00 3.83 C ATOM 1303 C LYS B 101 20.089 8.400 -13.887 1.00 4.00 C ATOM 1304 O LYS B 101 21.090 8.777 -13.301 1.00 4.36 O ATOM 1305 CB LYS B 101 18.866 6.866 -15.435 1.00 4.43 C ATOM 1306 CG LYS B 101 18.469 7.652 -16.687 1.00 5.03 C ATOM 1307 CD LYS B 101 19.254 7.128 -17.891 1.00 5.77 C ATOM 1308 CE LYS B 101 18.299 6.908 -19.066 1.00 6.68 C ATOM 1309 NZ LYS B 101 18.397 8.059 -20.008 1.00 7.38 N ATOM 1310 OXT LYS B 101 18.968 8.829 -13.669 1.00 4.28 O ATOM 0 H LYS B 101 21.967 6.091 -14.672 1.00 3.27 H new ATOM 0 HA LYS B 101 20.804 7.729 -15.807 1.00 3.83 H new ATOM 0 HB2 LYS B 101 18.879 5.798 -15.652 1.00 4.43 H new ATOM 0 HB3 LYS B 101 18.130 7.022 -14.646 1.00 4.43 H new ATOM 0 HG2 LYS B 101 17.398 7.553 -16.867 1.00 5.03 H new ATOM 0 HG3 LYS B 101 18.671 8.713 -16.542 1.00 5.03 H new ATOM 0 HD2 LYS B 101 20.032 7.839 -18.169 1.00 5.77 H new ATOM 0 HD3 LYS B 101 19.753 6.194 -17.634 1.00 5.77 H new ATOM 0 HE2 LYS B 101 18.547 5.980 -19.581 1.00 6.68 H new ATOM 0 HE3 LYS B 101 17.276 6.807 -18.703 1.00 6.68 H new ATOM 0 HZ1 LYS B 101 17.748 7.910 -20.807 1.00 7.38 H new ATOM 0 HZ2 LYS B 101 18.140 8.936 -19.512 1.00 7.38 H new ATOM 0 HZ3 LYS B 101 19.372 8.135 -20.363 1.00 7.38 H new TER 1324 LYS B 101