USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=13 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= -0.654 X(o=-0.65,f=-0.89) USER MOD Single : A 66 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-3.2!) USER MOD Single : A 67 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.0051) USER MOD Single : A 69 SER OG : rot -64:sc= 1.06 USER MOD Single : A 74 THR OG1 : rot -25:sc= -3.41! USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 74:sc= -1.64! USER MOD Single : A 92 SER OG : rot 75:sc= 0.169 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -150:sc= -0.0525 (180deg=-0.869) USER MOD Single : A 101 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.253) USER MOD Single : B 63 GLN : amide:sc= -0.611 X(o=-0.61,f=-0.61) USER MOD Single : B 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 67 HIS : no HD1:sc= -2.26! C(o=-2.3!,f=-2.9!) USER MOD Single : B 69 SER OG : rot -165:sc= 0.353 USER MOD Single : B 74 THR OG1 : rot 62:sc= -5.29! USER MOD Single : B 81 MET CE :methyl 175:sc= -3.52! (180deg=-3.64!) USER MOD Single : B 87 THR OG1 : rot -30:sc= -1.65 USER MOD Single : B 92 SER OG : rot 180:sc= -0.181 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 -10.573 14.858 7.194 1.00 18.74 N ATOM 2 CA VAL A 62 -10.956 13.432 6.995 1.00 18.11 C ATOM 3 C VAL A 62 -12.431 13.243 7.366 1.00 17.30 C ATOM 4 O VAL A 62 -12.761 12.932 8.493 1.00 17.26 O ATOM 5 CB VAL A 62 -10.085 12.544 7.887 1.00 18.42 C ATOM 6 CG1 VAL A 62 -10.043 13.123 9.302 1.00 18.58 C ATOM 7 CG2 VAL A 62 -10.672 11.132 7.933 1.00 18.59 C ATOM 0 HA VAL A 62 -10.808 13.156 5.951 1.00 18.11 H new ATOM 0 HB VAL A 62 -9.075 12.505 7.480 1.00 18.42 H new ATOM 0 HG11 VAL A 62 -9.422 12.490 9.936 1.00 18.58 H new ATOM 0 HG12 VAL A 62 -9.623 14.128 9.271 1.00 18.58 H new ATOM 0 HG13 VAL A 62 -11.054 13.164 9.708 1.00 18.58 H new ATOM 0 HG21 VAL A 62 -10.051 10.500 8.568 1.00 18.59 H new ATOM 0 HG22 VAL A 62 -11.683 11.171 8.338 1.00 18.59 H new ATOM 0 HG23 VAL A 62 -10.700 10.717 6.926 1.00 18.59 H new ATOM 19 N GLN A 63 -13.320 13.429 6.427 1.00 16.78 N ATOM 20 CA GLN A 63 -14.770 13.261 6.730 1.00 16.11 C ATOM 21 C GLN A 63 -15.268 11.942 6.135 1.00 15.69 C ATOM 22 O GLN A 63 -16.454 11.702 6.033 1.00 15.68 O ATOM 23 CB GLN A 63 -15.557 14.429 6.127 1.00 16.10 C ATOM 24 CG GLN A 63 -17.052 14.264 6.423 1.00 15.49 C ATOM 25 CD GLN A 63 -17.250 13.839 7.880 1.00 15.09 C ATOM 26 OE1 GLN A 63 -17.011 14.610 8.788 1.00 15.39 O ATOM 27 NE2 GLN A 63 -17.679 12.635 8.142 1.00 14.56 N ATOM 0 H GLN A 63 -13.105 13.690 5.465 1.00 16.78 H new ATOM 0 HA GLN A 63 -14.916 13.247 7.810 1.00 16.11 H new ATOM 0 HB2 GLN A 63 -15.198 15.372 6.540 1.00 16.10 H new ATOM 0 HB3 GLN A 63 -15.394 14.470 5.050 1.00 16.10 H new ATOM 0 HG2 GLN A 63 -17.575 15.202 6.234 1.00 15.49 H new ATOM 0 HG3 GLN A 63 -17.484 13.518 5.756 1.00 15.49 H new ATOM 0 HE21 GLN A 63 -17.880 11.988 7.379 1.00 14.56 H new ATOM 0 HE22 GLN A 63 -17.814 12.341 9.109 1.00 14.56 H new ATOM 36 N LEU A 64 -14.368 11.084 5.746 1.00 15.49 N ATOM 37 CA LEU A 64 -14.786 9.778 5.161 1.00 15.26 C ATOM 38 C LEU A 64 -15.893 10.010 4.130 1.00 14.77 C ATOM 39 O LEU A 64 -16.133 11.121 3.702 1.00 14.94 O ATOM 40 CB LEU A 64 -15.308 8.866 6.274 1.00 15.58 C ATOM 41 CG LEU A 64 -14.480 7.581 6.315 1.00 15.97 C ATOM 42 CD1 LEU A 64 -13.134 7.859 6.986 1.00 16.71 C ATOM 43 CD2 LEU A 64 -15.236 6.516 7.113 1.00 16.05 C ATOM 0 H LEU A 64 -13.360 11.229 5.807 1.00 15.49 H new ATOM 0 HA LEU A 64 -13.931 9.307 4.675 1.00 15.26 H new ATOM 0 HB2 LEU A 64 -15.251 9.378 7.234 1.00 15.58 H new ATOM 0 HB3 LEU A 64 -16.358 8.629 6.101 1.00 15.58 H new ATOM 0 HG LEU A 64 -14.311 7.226 5.299 1.00 15.97 H new ATOM 0 HD11 LEU A 64 -12.545 6.942 7.014 1.00 16.71 H new ATOM 0 HD12 LEU A 64 -12.595 8.619 6.420 1.00 16.71 H new ATOM 0 HD13 LEU A 64 -13.301 8.215 8.003 1.00 16.71 H new ATOM 0 HD21 LEU A 64 -14.648 5.599 7.144 1.00 16.05 H new ATOM 0 HD22 LEU A 64 -15.404 6.874 8.129 1.00 16.05 H new ATOM 0 HD23 LEU A 64 -16.195 6.316 6.635 1.00 16.05 H new ATOM 55 N ALA A 65 -16.570 8.968 3.729 1.00 14.32 N ATOM 56 CA ALA A 65 -17.662 9.128 2.727 1.00 14.03 C ATOM 57 C ALA A 65 -18.554 7.885 2.744 1.00 13.34 C ATOM 58 O ALA A 65 -19.118 7.499 1.738 1.00 13.29 O ATOM 59 CB ALA A 65 -17.056 9.303 1.333 1.00 14.31 C ATOM 0 H ALA A 65 -16.414 8.013 4.052 1.00 14.32 H new ATOM 0 HA ALA A 65 -18.257 10.007 2.976 1.00 14.03 H new ATOM 0 HB1 ALA A 65 -17.855 9.420 0.601 1.00 14.31 H new ATOM 0 HB2 ALA A 65 -16.421 10.189 1.321 1.00 14.31 H new ATOM 0 HB3 ALA A 65 -16.460 8.425 1.083 1.00 14.31 H new ATOM 65 N HIS A 66 -18.687 7.256 3.880 1.00 12.98 N ATOM 66 CA HIS A 66 -19.543 6.039 3.966 1.00 12.48 C ATOM 67 C HIS A 66 -19.991 5.837 5.415 1.00 11.62 C ATOM 68 O HIS A 66 -19.655 6.610 6.291 1.00 11.76 O ATOM 69 CB HIS A 66 -18.743 4.818 3.505 1.00 12.81 C ATOM 70 CG HIS A 66 -18.750 4.750 2.002 1.00 13.36 C ATOM 71 ND1 HIS A 66 -17.729 5.287 1.233 1.00 13.57 N ATOM 72 CD2 HIS A 66 -19.643 4.207 1.113 1.00 13.93 C ATOM 73 CE1 HIS A 66 -18.031 5.058 -0.058 1.00 14.23 C ATOM 74 NE2 HIS A 66 -19.187 4.402 -0.188 1.00 14.47 N ATOM 0 H HIS A 66 -18.239 7.533 4.753 1.00 12.98 H new ATOM 0 HA HIS A 66 -20.417 6.162 3.327 1.00 12.48 H new ATOM 0 HB2 HIS A 66 -17.719 4.882 3.872 1.00 12.81 H new ATOM 0 HB3 HIS A 66 -19.175 3.908 3.923 1.00 12.81 H new ATOM 0 HD2 HIS A 66 -20.560 3.705 1.382 1.00 13.93 H new ATOM 0 HE1 HIS A 66 -17.414 5.367 -0.888 1.00 14.23 H new ATOM 0 HE2 HIS A 66 -19.639 4.107 -1.054 1.00 14.47 H new ATOM 82 N HIS A 67 -20.747 4.806 5.678 1.00 10.90 N ATOM 83 CA HIS A 67 -21.211 4.565 7.074 1.00 10.21 C ATOM 84 C HIS A 67 -22.268 3.458 7.088 1.00 9.43 C ATOM 85 O HIS A 67 -22.159 2.493 7.817 1.00 9.32 O ATOM 86 CB HIS A 67 -21.820 5.853 7.634 1.00 10.37 C ATOM 87 CG HIS A 67 -21.155 6.199 8.937 1.00 10.53 C ATOM 88 ND1 HIS A 67 -21.631 5.738 10.155 1.00 10.58 N ATOM 89 CD2 HIS A 67 -20.050 6.959 9.230 1.00 10.88 C ATOM 90 CE1 HIS A 67 -20.822 6.221 11.115 1.00 10.97 C ATOM 91 NE2 HIS A 67 -19.842 6.972 10.606 1.00 11.15 N ATOM 0 H HIS A 67 -21.062 4.123 4.990 1.00 10.90 H new ATOM 0 HA HIS A 67 -20.363 4.260 7.687 1.00 10.21 H new ATOM 0 HB2 HIS A 67 -21.692 6.668 6.921 1.00 10.37 H new ATOM 0 HB3 HIS A 67 -22.892 5.725 7.784 1.00 10.37 H new ATOM 0 HD2 HIS A 67 -19.435 7.469 8.503 1.00 10.88 H new ATOM 0 HE1 HIS A 67 -20.950 6.025 12.169 1.00 10.97 H new ATOM 0 HE2 HIS A 67 -19.100 7.452 11.116 1.00 11.15 H new ATOM 99 N PHE A 68 -23.295 3.594 6.295 1.00 9.11 N ATOM 100 CA PHE A 68 -24.362 2.554 6.272 1.00 8.55 C ATOM 101 C PHE A 68 -23.809 1.251 5.688 1.00 7.46 C ATOM 102 O PHE A 68 -22.957 1.260 4.821 1.00 7.39 O ATOM 103 CB PHE A 68 -25.529 3.042 5.411 1.00 8.98 C ATOM 104 CG PHE A 68 -26.584 3.660 6.297 1.00 9.76 C ATOM 105 CD1 PHE A 68 -26.401 4.952 6.805 1.00 10.29 C ATOM 106 CD2 PHE A 68 -27.744 2.942 6.611 1.00 10.19 C ATOM 107 CE1 PHE A 68 -27.379 5.526 7.626 1.00 11.19 C ATOM 108 CE2 PHE A 68 -28.722 3.516 7.433 1.00 11.10 C ATOM 109 CZ PHE A 68 -28.539 4.808 7.941 1.00 11.57 C ATOM 0 H PHE A 68 -23.441 4.380 5.662 1.00 9.11 H new ATOM 0 HA PHE A 68 -24.707 2.372 7.290 1.00 8.55 H new ATOM 0 HB2 PHE A 68 -25.177 3.773 4.683 1.00 8.98 H new ATOM 0 HB3 PHE A 68 -25.953 2.210 4.849 1.00 8.98 H new ATOM 0 HD1 PHE A 68 -25.506 5.506 6.564 1.00 10.29 H new ATOM 0 HD2 PHE A 68 -27.885 1.945 6.219 1.00 10.19 H new ATOM 0 HE1 PHE A 68 -27.239 6.523 8.017 1.00 11.19 H new ATOM 0 HE2 PHE A 68 -29.617 2.962 7.675 1.00 11.10 H new ATOM 0 HZ PHE A 68 -29.292 5.251 8.576 1.00 11.57 H new ATOM 119 N SER A 69 -24.291 0.129 6.153 1.00 6.86 N ATOM 120 CA SER A 69 -23.802 -1.176 5.624 1.00 6.01 C ATOM 121 C SER A 69 -22.273 -1.218 5.667 1.00 5.07 C ATOM 122 O SER A 69 -21.622 -0.247 5.999 1.00 5.28 O ATOM 123 CB SER A 69 -24.272 -1.347 4.179 1.00 6.54 C ATOM 124 OG SER A 69 -23.368 -0.678 3.310 1.00 7.08 O ATOM 0 H SER A 69 -25.005 0.061 6.879 1.00 6.86 H new ATOM 0 HA SER A 69 -24.201 -1.982 6.240 1.00 6.01 H new ATOM 0 HB2 SER A 69 -24.324 -2.405 3.924 1.00 6.54 H new ATOM 0 HB3 SER A 69 -25.277 -0.941 4.060 1.00 6.54 H new ATOM 0 HG SER A 69 -23.386 0.284 3.497 1.00 7.08 H new ATOM 130 N GLU A 70 -21.697 -2.340 5.330 1.00 4.41 N ATOM 131 CA GLU A 70 -20.212 -2.456 5.344 1.00 3.84 C ATOM 132 C GLU A 70 -19.724 -2.855 3.947 1.00 2.84 C ATOM 133 O GLU A 70 -19.687 -4.024 3.618 1.00 3.00 O ATOM 134 CB GLU A 70 -19.794 -3.529 6.352 1.00 4.55 C ATOM 135 CG GLU A 70 -20.431 -3.232 7.710 1.00 5.41 C ATOM 136 CD GLU A 70 -19.524 -3.757 8.824 1.00 6.00 C ATOM 137 OE1 GLU A 70 -18.634 -3.027 9.229 1.00 6.49 O ATOM 138 OE2 GLU A 70 -19.734 -4.879 9.253 1.00 6.28 O ATOM 0 H GLU A 70 -22.194 -3.184 5.045 1.00 4.41 H new ATOM 0 HA GLU A 70 -19.773 -1.499 5.628 1.00 3.84 H new ATOM 0 HB2 GLU A 70 -20.104 -4.513 6.001 1.00 4.55 H new ATOM 0 HB3 GLU A 70 -18.708 -3.552 6.445 1.00 4.55 H new ATOM 0 HG2 GLU A 70 -20.583 -2.159 7.826 1.00 5.41 H new ATOM 0 HG3 GLU A 70 -21.413 -3.702 7.774 1.00 5.41 H new ATOM 145 N PRO A 71 -19.367 -1.868 3.164 1.00 2.18 N ATOM 146 CA PRO A 71 -18.881 -2.094 1.792 1.00 1.51 C ATOM 147 C PRO A 71 -17.616 -2.958 1.807 1.00 1.23 C ATOM 148 O PRO A 71 -16.539 -2.500 2.139 1.00 1.13 O ATOM 149 CB PRO A 71 -18.571 -0.692 1.249 1.00 1.87 C ATOM 150 CG PRO A 71 -18.889 0.329 2.371 1.00 2.49 C ATOM 151 CD PRO A 71 -19.417 -0.456 3.582 1.00 2.65 C ATOM 0 HA PRO A 71 -19.611 -2.620 1.177 1.00 1.51 H new ATOM 0 HB2 PRO A 71 -17.525 -0.620 0.952 1.00 1.87 H new ATOM 0 HB3 PRO A 71 -19.170 -0.484 0.362 1.00 1.87 H new ATOM 0 HG2 PRO A 71 -17.995 0.892 2.640 1.00 2.49 H new ATOM 0 HG3 PRO A 71 -19.631 1.052 2.031 1.00 2.49 H new ATOM 0 HD2 PRO A 71 -18.802 -0.283 4.465 1.00 2.65 H new ATOM 0 HD3 PRO A 71 -20.433 -0.154 3.837 1.00 2.65 H new ATOM 159 N GLU A 72 -17.738 -4.206 1.444 1.00 1.29 N ATOM 160 CA GLU A 72 -16.544 -5.095 1.433 1.00 1.13 C ATOM 161 C GLU A 72 -15.436 -4.439 0.609 1.00 1.00 C ATOM 162 O GLU A 72 -14.272 -4.499 0.953 1.00 0.97 O ATOM 163 CB GLU A 72 -16.917 -6.442 0.809 1.00 1.32 C ATOM 164 CG GLU A 72 -17.785 -7.235 1.787 1.00 1.94 C ATOM 165 CD GLU A 72 -19.259 -7.067 1.414 1.00 2.47 C ATOM 166 OE1 GLU A 72 -19.734 -7.835 0.594 1.00 2.89 O ATOM 167 OE2 GLU A 72 -19.888 -6.172 1.955 1.00 3.01 O ATOM 0 H GLU A 72 -18.611 -4.647 1.155 1.00 1.29 H new ATOM 0 HA GLU A 72 -16.195 -5.254 2.453 1.00 1.13 H new ATOM 0 HB2 GLU A 72 -17.455 -6.285 -0.126 1.00 1.32 H new ATOM 0 HB3 GLU A 72 -16.015 -7.005 0.568 1.00 1.32 H new ATOM 0 HG2 GLU A 72 -17.510 -8.289 1.761 1.00 1.94 H new ATOM 0 HG3 GLU A 72 -17.615 -6.887 2.806 1.00 1.94 H new ATOM 174 N ILE A 73 -15.788 -3.810 -0.479 1.00 0.99 N ATOM 175 CA ILE A 73 -14.766 -3.149 -1.325 1.00 0.91 C ATOM 176 C ILE A 73 -14.102 -2.013 -0.544 1.00 0.80 C ATOM 177 O ILE A 73 -12.899 -1.863 -0.556 1.00 0.74 O ATOM 178 CB ILE A 73 -15.443 -2.583 -2.571 1.00 1.03 C ATOM 179 CG1 ILE A 73 -14.372 -2.192 -3.580 1.00 1.05 C ATOM 180 CG2 ILE A 73 -16.268 -1.349 -2.196 1.00 1.28 C ATOM 181 CD1 ILE A 73 -13.899 -3.443 -4.321 1.00 1.48 C ATOM 0 H ILE A 73 -16.747 -3.728 -0.817 1.00 0.99 H new ATOM 0 HA ILE A 73 -14.006 -3.875 -1.613 1.00 0.91 H new ATOM 0 HB ILE A 73 -16.103 -3.335 -3.004 1.00 1.03 H new ATOM 0 HG12 ILE A 73 -14.770 -1.464 -4.287 1.00 1.05 H new ATOM 0 HG13 ILE A 73 -13.533 -1.717 -3.072 1.00 1.05 H new ATOM 0 HG21 ILE A 73 -16.749 -0.948 -3.088 1.00 1.28 H new ATOM 0 HG22 ILE A 73 -17.029 -1.628 -1.467 1.00 1.28 H new ATOM 0 HG23 ILE A 73 -15.614 -0.591 -1.765 1.00 1.28 H new ATOM 0 HD11 ILE A 73 -13.132 -3.169 -5.045 1.00 1.48 H new ATOM 0 HD12 ILE A 73 -13.486 -4.155 -3.606 1.00 1.48 H new ATOM 0 HD13 ILE A 73 -14.742 -3.899 -4.841 1.00 1.48 H new ATOM 193 N THR A 74 -14.876 -1.208 0.132 1.00 0.81 N ATOM 194 CA THR A 74 -14.278 -0.084 0.904 1.00 0.76 C ATOM 195 C THR A 74 -13.257 -0.634 1.902 1.00 0.68 C ATOM 196 O THR A 74 -12.158 -0.130 2.016 1.00 0.62 O ATOM 197 CB THR A 74 -15.376 0.672 1.656 1.00 0.86 C ATOM 198 OG1 THR A 74 -16.107 -0.236 2.466 1.00 1.35 O ATOM 199 CG2 THR A 74 -16.317 1.339 0.650 1.00 1.19 C ATOM 0 H THR A 74 -15.892 -1.280 0.183 1.00 0.81 H new ATOM 0 HA THR A 74 -13.781 0.599 0.216 1.00 0.76 H new ATOM 0 HB THR A 74 -14.924 1.436 2.289 1.00 0.86 H new ATOM 0 HG1 THR A 74 -16.038 -1.138 2.090 1.00 1.35 H new ATOM 0 HG21 THR A 74 -17.099 1.878 1.185 1.00 1.19 H new ATOM 0 HG22 THR A 74 -15.753 2.038 0.032 1.00 1.19 H new ATOM 0 HG23 THR A 74 -16.770 0.577 0.015 1.00 1.19 H new ATOM 207 N LEU A 75 -13.606 -1.662 2.630 1.00 0.72 N ATOM 208 CA LEU A 75 -12.636 -2.224 3.616 1.00 0.69 C ATOM 209 C LEU A 75 -11.456 -2.849 2.873 1.00 0.58 C ATOM 210 O LEU A 75 -10.313 -2.604 3.202 1.00 0.50 O ATOM 211 CB LEU A 75 -13.319 -3.295 4.474 1.00 0.82 C ATOM 212 CG LEU A 75 -12.598 -3.415 5.821 1.00 0.88 C ATOM 213 CD1 LEU A 75 -13.023 -4.712 6.513 1.00 0.87 C ATOM 214 CD2 LEU A 75 -11.083 -3.435 5.597 1.00 1.02 C ATOM 0 H LEU A 75 -14.510 -2.132 2.586 1.00 0.72 H new ATOM 0 HA LEU A 75 -12.281 -1.420 4.261 1.00 0.69 H new ATOM 0 HB2 LEU A 75 -14.366 -3.035 4.633 1.00 0.82 H new ATOM 0 HB3 LEU A 75 -13.304 -4.254 3.956 1.00 0.82 H new ATOM 0 HG LEU A 75 -12.861 -2.562 6.446 1.00 0.88 H new ATOM 0 HD11 LEU A 75 -12.511 -4.798 7.471 1.00 0.87 H new ATOM 0 HD12 LEU A 75 -14.100 -4.700 6.678 1.00 0.87 H new ATOM 0 HD13 LEU A 75 -12.761 -5.563 5.884 1.00 0.87 H new ATOM 0 HD21 LEU A 75 -10.574 -3.520 6.557 1.00 1.02 H new ATOM 0 HD22 LEU A 75 -10.819 -4.286 4.970 1.00 1.02 H new ATOM 0 HD23 LEU A 75 -10.776 -2.512 5.104 1.00 1.02 H new ATOM 226 N ILE A 76 -11.709 -3.646 1.869 1.00 0.62 N ATOM 227 CA ILE A 76 -10.571 -4.253 1.128 1.00 0.57 C ATOM 228 C ILE A 76 -9.687 -3.123 0.601 1.00 0.45 C ATOM 229 O ILE A 76 -8.483 -3.129 0.769 1.00 0.38 O ATOM 230 CB ILE A 76 -11.098 -5.090 -0.041 1.00 0.69 C ATOM 231 CG1 ILE A 76 -11.897 -6.276 0.505 1.00 0.91 C ATOM 232 CG2 ILE A 76 -9.920 -5.608 -0.868 1.00 0.76 C ATOM 233 CD1 ILE A 76 -12.723 -6.898 -0.623 1.00 1.10 C ATOM 0 H ILE A 76 -12.639 -3.899 1.536 1.00 0.62 H new ATOM 0 HA ILE A 76 -9.997 -4.903 1.788 1.00 0.57 H new ATOM 0 HB ILE A 76 -11.741 -4.475 -0.670 1.00 0.69 H new ATOM 0 HG12 ILE A 76 -11.221 -7.020 0.928 1.00 0.91 H new ATOM 0 HG13 ILE A 76 -12.553 -5.946 1.311 1.00 0.91 H new ATOM 0 HG21 ILE A 76 -10.294 -6.204 -1.700 1.00 0.76 H new ATOM 0 HG22 ILE A 76 -9.348 -4.765 -1.254 1.00 0.76 H new ATOM 0 HG23 ILE A 76 -9.278 -6.225 -0.240 1.00 0.76 H new ATOM 0 HD11 ILE A 76 -13.292 -7.743 -0.234 1.00 1.10 H new ATOM 0 HD12 ILE A 76 -13.409 -6.153 -1.025 1.00 1.10 H new ATOM 0 HD13 ILE A 76 -12.057 -7.243 -1.414 1.00 1.10 H new ATOM 245 N ILE A 77 -10.285 -2.134 -0.007 1.00 0.44 N ATOM 246 CA ILE A 77 -9.493 -0.981 -0.513 1.00 0.36 C ATOM 247 C ILE A 77 -8.731 -0.361 0.657 1.00 0.28 C ATOM 248 O ILE A 77 -7.551 -0.082 0.572 1.00 0.25 O ATOM 249 CB ILE A 77 -10.433 0.062 -1.120 1.00 0.39 C ATOM 250 CG1 ILE A 77 -11.021 -0.481 -2.424 1.00 1.21 C ATOM 251 CG2 ILE A 77 -9.652 1.345 -1.408 1.00 1.18 C ATOM 252 CD1 ILE A 77 -12.063 0.502 -2.961 1.00 1.58 C ATOM 0 H ILE A 77 -11.290 -2.077 -0.174 1.00 0.44 H new ATOM 0 HA ILE A 77 -8.794 -1.318 -1.278 1.00 0.36 H new ATOM 0 HB ILE A 77 -11.240 0.277 -0.419 1.00 0.39 H new ATOM 0 HG12 ILE A 77 -10.230 -0.627 -3.159 1.00 1.21 H new ATOM 0 HG13 ILE A 77 -11.479 -1.455 -2.251 1.00 1.21 H new ATOM 0 HG21 ILE A 77 -10.321 2.089 -1.841 1.00 1.18 H new ATOM 0 HG22 ILE A 77 -9.232 1.731 -0.479 1.00 1.18 H new ATOM 0 HG23 ILE A 77 -8.846 1.130 -2.110 1.00 1.18 H new ATOM 0 HD11 ILE A 77 -12.482 0.116 -3.890 1.00 1.58 H new ATOM 0 HD12 ILE A 77 -12.859 0.625 -2.227 1.00 1.58 H new ATOM 0 HD13 ILE A 77 -11.591 1.466 -3.149 1.00 1.58 H new ATOM 264 N PHE A 78 -9.410 -0.140 1.752 1.00 0.31 N ATOM 265 CA PHE A 78 -8.745 0.465 2.939 1.00 0.32 C ATOM 266 C PHE A 78 -7.553 -0.397 3.349 1.00 0.30 C ATOM 267 O PHE A 78 -6.472 0.100 3.587 1.00 0.30 O ATOM 268 CB PHE A 78 -9.735 0.548 4.105 1.00 0.41 C ATOM 269 CG PHE A 78 -10.515 1.838 4.015 1.00 0.80 C ATOM 270 CD1 PHE A 78 -10.971 2.298 2.773 1.00 1.52 C ATOM 271 CD2 PHE A 78 -10.780 2.577 5.174 1.00 1.66 C ATOM 272 CE1 PHE A 78 -11.693 3.495 2.691 1.00 1.97 C ATOM 273 CE2 PHE A 78 -11.502 3.774 5.093 1.00 2.09 C ATOM 274 CZ PHE A 78 -11.958 4.233 3.851 1.00 1.95 C ATOM 0 H PHE A 78 -10.400 -0.354 1.874 1.00 0.31 H new ATOM 0 HA PHE A 78 -8.403 1.468 2.685 1.00 0.32 H new ATOM 0 HB2 PHE A 78 -10.416 -0.303 4.079 1.00 0.41 H new ATOM 0 HB3 PHE A 78 -9.200 0.500 5.054 1.00 0.41 H new ATOM 0 HD1 PHE A 78 -10.766 1.729 1.878 1.00 1.52 H new ATOM 0 HD2 PHE A 78 -10.427 2.224 6.132 1.00 1.66 H new ATOM 0 HE1 PHE A 78 -12.045 3.849 1.733 1.00 1.97 H new ATOM 0 HE2 PHE A 78 -11.707 4.343 5.988 1.00 2.09 H new ATOM 0 HZ PHE A 78 -12.514 5.157 3.788 1.00 1.95 H new ATOM 284 N GLY A 79 -7.735 -1.687 3.434 1.00 0.31 N ATOM 285 CA GLY A 79 -6.595 -2.561 3.830 1.00 0.32 C ATOM 286 C GLY A 79 -5.437 -2.341 2.855 1.00 0.26 C ATOM 287 O GLY A 79 -4.306 -2.146 3.255 1.00 0.26 O ATOM 0 H GLY A 79 -8.614 -2.169 3.248 1.00 0.31 H new ATOM 0 HA2 GLY A 79 -6.279 -2.330 4.848 1.00 0.32 H new ATOM 0 HA3 GLY A 79 -6.902 -3.607 3.821 1.00 0.32 H new ATOM 291 N VAL A 80 -5.709 -2.350 1.576 1.00 0.23 N ATOM 292 CA VAL A 80 -4.619 -2.119 0.588 1.00 0.22 C ATOM 293 C VAL A 80 -3.968 -0.767 0.883 1.00 0.21 C ATOM 294 O VAL A 80 -2.761 -0.643 0.955 1.00 0.22 O ATOM 295 CB VAL A 80 -5.206 -2.117 -0.824 1.00 0.24 C ATOM 296 CG1 VAL A 80 -4.090 -1.884 -1.844 1.00 0.28 C ATOM 297 CG2 VAL A 80 -5.868 -3.471 -1.094 1.00 0.28 C ATOM 0 H VAL A 80 -6.634 -2.507 1.176 1.00 0.23 H new ATOM 0 HA VAL A 80 -3.872 -2.909 0.661 1.00 0.22 H new ATOM 0 HB VAL A 80 -5.945 -1.321 -0.911 1.00 0.24 H new ATOM 0 HG11 VAL A 80 -4.511 -1.883 -2.850 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -3.614 -0.923 -1.649 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -3.350 -2.680 -1.761 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -6.289 -3.476 -2.100 1.00 0.28 H new ATOM 0 HG22 VAL A 80 -5.124 -4.263 -1.008 1.00 0.28 H new ATOM 0 HG23 VAL A 80 -6.663 -3.639 -0.367 1.00 0.28 H new ATOM 307 N MET A 81 -4.771 0.245 1.072 1.00 0.22 N ATOM 308 CA MET A 81 -4.221 1.592 1.384 1.00 0.25 C ATOM 309 C MET A 81 -3.359 1.509 2.644 1.00 0.27 C ATOM 310 O MET A 81 -2.259 2.024 2.694 1.00 0.28 O ATOM 311 CB MET A 81 -5.374 2.571 1.612 1.00 0.29 C ATOM 312 CG MET A 81 -6.041 2.891 0.273 1.00 0.36 C ATOM 313 SD MET A 81 -6.758 4.551 0.334 1.00 1.07 S ATOM 314 CE MET A 81 -6.624 4.920 -1.433 1.00 1.70 C ATOM 0 H MET A 81 -5.789 0.195 1.023 1.00 0.22 H new ATOM 0 HA MET A 81 -3.610 1.941 0.551 1.00 0.25 H new ATOM 0 HB2 MET A 81 -6.102 2.139 2.299 1.00 0.29 H new ATOM 0 HB3 MET A 81 -5.003 3.486 2.074 1.00 0.29 H new ATOM 0 HG2 MET A 81 -5.310 2.829 -0.533 1.00 0.36 H new ATOM 0 HG3 MET A 81 -6.817 2.156 0.057 1.00 0.36 H new ATOM 0 HE1 MET A 81 -7.017 5.918 -1.627 1.00 1.70 H new ATOM 0 HE2 MET A 81 -5.578 4.877 -1.735 1.00 1.70 H new ATOM 0 HE3 MET A 81 -7.197 4.188 -2.002 1.00 1.70 H new ATOM 324 N ALA A 82 -3.858 0.869 3.667 1.00 0.28 N ATOM 325 CA ALA A 82 -3.081 0.755 4.931 1.00 0.32 C ATOM 326 C ALA A 82 -1.724 0.099 4.647 1.00 0.30 C ATOM 327 O ALA A 82 -0.700 0.573 5.098 1.00 0.30 O ATOM 328 CB ALA A 82 -3.870 -0.065 5.963 1.00 0.37 C ATOM 0 H ALA A 82 -4.773 0.419 3.680 1.00 0.28 H new ATOM 0 HA ALA A 82 -2.911 1.751 5.339 1.00 0.32 H new ATOM 0 HB1 ALA A 82 -3.293 -0.143 6.884 1.00 0.37 H new ATOM 0 HB2 ALA A 82 -4.820 0.428 6.170 1.00 0.37 H new ATOM 0 HB3 ALA A 82 -4.058 -1.063 5.568 1.00 0.37 H new ATOM 334 N GLY A 83 -1.691 -0.980 3.903 1.00 0.28 N ATOM 335 CA GLY A 83 -0.379 -1.621 3.613 1.00 0.27 C ATOM 336 C GLY A 83 0.534 -0.592 2.950 1.00 0.23 C ATOM 337 O GLY A 83 1.676 -0.420 3.330 1.00 0.23 O ATOM 0 H GLY A 83 -2.505 -1.436 3.491 1.00 0.28 H new ATOM 0 HA2 GLY A 83 0.073 -1.989 4.534 1.00 0.27 H new ATOM 0 HA3 GLY A 83 -0.516 -2.482 2.959 1.00 0.27 H new ATOM 341 N VAL A 84 0.032 0.108 1.967 1.00 0.21 N ATOM 342 CA VAL A 84 0.868 1.138 1.292 1.00 0.19 C ATOM 343 C VAL A 84 1.359 2.152 2.330 1.00 0.20 C ATOM 344 O VAL A 84 2.523 2.501 2.368 1.00 0.19 O ATOM 345 CB VAL A 84 0.035 1.858 0.229 1.00 0.22 C ATOM 346 CG1 VAL A 84 0.809 3.071 -0.291 1.00 0.28 C ATOM 347 CG2 VAL A 84 -0.249 0.901 -0.931 1.00 0.27 C ATOM 0 H VAL A 84 -0.917 0.010 1.605 1.00 0.21 H new ATOM 0 HA VAL A 84 1.724 0.658 0.817 1.00 0.19 H new ATOM 0 HB VAL A 84 -0.906 2.188 0.668 1.00 0.22 H new ATOM 0 HG11 VAL A 84 0.216 3.584 -1.048 1.00 0.28 H new ATOM 0 HG12 VAL A 84 1.013 3.754 0.534 1.00 0.28 H new ATOM 0 HG13 VAL A 84 1.751 2.741 -0.730 1.00 0.28 H new ATOM 0 HG21 VAL A 84 -0.842 1.413 -1.688 1.00 0.27 H new ATOM 0 HG22 VAL A 84 0.693 0.571 -1.370 1.00 0.27 H new ATOM 0 HG23 VAL A 84 -0.800 0.036 -0.562 1.00 0.27 H new ATOM 357 N ILE A 85 0.479 2.631 3.171 1.00 0.23 N ATOM 358 CA ILE A 85 0.892 3.624 4.203 1.00 0.27 C ATOM 359 C ILE A 85 2.016 3.046 5.067 1.00 0.27 C ATOM 360 O ILE A 85 3.012 3.696 5.316 1.00 0.28 O ATOM 361 CB ILE A 85 -0.306 3.960 5.094 1.00 0.33 C ATOM 362 CG1 ILE A 85 -1.432 4.544 4.235 1.00 0.67 C ATOM 363 CG2 ILE A 85 0.113 4.986 6.149 1.00 0.75 C ATOM 364 CD1 ILE A 85 -1.056 5.958 3.789 1.00 1.20 C ATOM 0 H ILE A 85 -0.508 2.376 3.186 1.00 0.23 H new ATOM 0 HA ILE A 85 1.249 4.526 3.706 1.00 0.27 H new ATOM 0 HB ILE A 85 -0.656 3.054 5.588 1.00 0.33 H new ATOM 0 HG12 ILE A 85 -1.605 3.911 3.365 1.00 0.67 H new ATOM 0 HG13 ILE A 85 -2.362 4.566 4.803 1.00 0.67 H new ATOM 0 HG21 ILE A 85 -0.741 5.225 6.783 1.00 0.75 H new ATOM 0 HG22 ILE A 85 0.915 4.572 6.760 1.00 0.75 H new ATOM 0 HG23 ILE A 85 0.464 5.893 5.656 1.00 0.75 H new ATOM 0 HD11 ILE A 85 -1.858 6.372 3.178 1.00 1.20 H new ATOM 0 HD12 ILE A 85 -0.905 6.588 4.666 1.00 1.20 H new ATOM 0 HD13 ILE A 85 -0.136 5.923 3.205 1.00 1.20 H new ATOM 376 N GLY A 86 1.871 1.833 5.531 1.00 0.29 N ATOM 377 CA GLY A 86 2.941 1.238 6.378 1.00 0.33 C ATOM 378 C GLY A 86 4.260 1.251 5.608 1.00 0.30 C ATOM 379 O GLY A 86 5.284 1.659 6.119 1.00 0.33 O ATOM 0 H GLY A 86 1.063 1.234 5.361 1.00 0.29 H new ATOM 0 HA2 GLY A 86 3.042 1.802 7.305 1.00 0.33 H new ATOM 0 HA3 GLY A 86 2.677 0.217 6.653 1.00 0.33 H new ATOM 383 N THR A 87 4.243 0.820 4.376 1.00 0.25 N ATOM 384 CA THR A 87 5.498 0.823 3.575 1.00 0.25 C ATOM 385 C THR A 87 6.053 2.246 3.522 1.00 0.26 C ATOM 386 O THR A 87 7.226 2.478 3.740 1.00 0.32 O ATOM 387 CB THR A 87 5.204 0.336 2.155 1.00 0.24 C ATOM 388 OG1 THR A 87 4.669 -0.979 2.208 1.00 0.34 O ATOM 389 CG2 THR A 87 6.499 0.334 1.340 1.00 0.31 C ATOM 0 H THR A 87 3.417 0.467 3.892 1.00 0.25 H new ATOM 0 HA THR A 87 6.229 0.159 4.037 1.00 0.25 H new ATOM 0 HB THR A 87 4.481 1.001 1.682 1.00 0.24 H new ATOM 0 HG1 THR A 87 3.743 -0.943 2.526 1.00 0.34 H new ATOM 0 HG21 THR A 87 6.291 -0.013 0.328 1.00 0.31 H new ATOM 0 HG22 THR A 87 6.906 1.344 1.301 1.00 0.31 H new ATOM 0 HG23 THR A 87 7.224 -0.331 1.810 1.00 0.31 H new ATOM 397 N ILE A 88 5.211 3.202 3.234 1.00 0.24 N ATOM 398 CA ILE A 88 5.675 4.616 3.167 1.00 0.33 C ATOM 399 C ILE A 88 6.312 5.006 4.501 1.00 0.39 C ATOM 400 O ILE A 88 7.381 5.582 4.544 1.00 0.47 O ATOM 401 CB ILE A 88 4.481 5.528 2.881 1.00 0.37 C ATOM 402 CG1 ILE A 88 3.955 5.246 1.471 1.00 0.39 C ATOM 403 CG2 ILE A 88 4.920 6.991 2.977 1.00 0.47 C ATOM 404 CD1 ILE A 88 2.847 6.244 1.129 1.00 0.49 C ATOM 0 H ILE A 88 4.219 3.063 3.042 1.00 0.24 H new ATOM 0 HA ILE A 88 6.411 4.723 2.371 1.00 0.33 H new ATOM 0 HB ILE A 88 3.694 5.337 3.611 1.00 0.37 H new ATOM 0 HG12 ILE A 88 4.766 5.325 0.747 1.00 0.39 H new ATOM 0 HG13 ILE A 88 3.572 4.227 1.411 1.00 0.39 H new ATOM 0 HG21 ILE A 88 4.069 7.640 2.773 1.00 0.47 H new ATOM 0 HG22 ILE A 88 5.298 7.192 3.979 1.00 0.47 H new ATOM 0 HG23 ILE A 88 5.706 7.184 2.247 1.00 0.47 H new ATOM 0 HD11 ILE A 88 2.473 6.043 0.125 1.00 0.49 H new ATOM 0 HD12 ILE A 88 2.033 6.144 1.847 1.00 0.49 H new ATOM 0 HD13 ILE A 88 3.245 7.258 1.171 1.00 0.49 H new ATOM 416 N LEU A 89 5.665 4.697 5.592 1.00 0.39 N ATOM 417 CA LEU A 89 6.234 5.050 6.919 1.00 0.49 C ATOM 418 C LEU A 89 7.628 4.419 7.041 1.00 0.53 C ATOM 419 O LEU A 89 8.580 5.066 7.430 1.00 0.62 O ATOM 420 CB LEU A 89 5.276 4.547 8.024 1.00 0.53 C ATOM 421 CG LEU A 89 6.010 3.686 9.060 1.00 0.59 C ATOM 422 CD1 LEU A 89 6.918 4.573 9.914 1.00 0.68 C ATOM 423 CD2 LEU A 89 4.985 2.994 9.962 1.00 0.65 C ATOM 0 H LEU A 89 4.766 4.215 5.619 1.00 0.39 H new ATOM 0 HA LEU A 89 6.338 6.129 7.029 1.00 0.49 H new ATOM 0 HB2 LEU A 89 4.814 5.400 8.521 1.00 0.53 H new ATOM 0 HB3 LEU A 89 4.472 3.967 7.572 1.00 0.53 H new ATOM 0 HG LEU A 89 6.613 2.937 8.547 1.00 0.59 H new ATOM 0 HD11 LEU A 89 7.439 3.960 10.649 1.00 0.68 H new ATOM 0 HD12 LEU A 89 7.647 5.070 9.274 1.00 0.68 H new ATOM 0 HD13 LEU A 89 6.316 5.322 10.428 1.00 0.68 H new ATOM 0 HD21 LEU A 89 5.504 2.381 10.699 1.00 0.65 H new ATOM 0 HD22 LEU A 89 4.384 3.746 10.473 1.00 0.65 H new ATOM 0 HD23 LEU A 89 4.336 2.361 9.357 1.00 0.65 H new ATOM 435 N LEU A 90 7.759 3.164 6.701 1.00 0.49 N ATOM 436 CA LEU A 90 9.099 2.513 6.793 1.00 0.57 C ATOM 437 C LEU A 90 10.094 3.303 5.941 1.00 0.60 C ATOM 438 O LEU A 90 11.183 3.622 6.374 1.00 0.71 O ATOM 439 CB LEU A 90 9.012 1.074 6.273 1.00 0.56 C ATOM 440 CG LEU A 90 10.310 0.336 6.602 1.00 1.24 C ATOM 441 CD1 LEU A 90 10.314 -0.054 8.082 1.00 1.76 C ATOM 442 CD2 LEU A 90 10.414 -0.927 5.742 1.00 1.92 C ATOM 0 H LEU A 90 7.004 2.566 6.366 1.00 0.49 H new ATOM 0 HA LEU A 90 9.429 2.498 7.832 1.00 0.57 H new ATOM 0 HB2 LEU A 90 8.164 0.562 6.728 1.00 0.56 H new ATOM 0 HB3 LEU A 90 8.844 1.074 5.196 1.00 0.56 H new ATOM 0 HG LEU A 90 11.159 0.987 6.394 1.00 1.24 H new ATOM 0 HD11 LEU A 90 11.239 -0.580 8.317 1.00 1.76 H new ATOM 0 HD12 LEU A 90 10.242 0.844 8.695 1.00 1.76 H new ATOM 0 HD13 LEU A 90 9.464 -0.704 8.289 1.00 1.76 H new ATOM 0 HD21 LEU A 90 11.340 -1.452 5.977 1.00 1.92 H new ATOM 0 HD22 LEU A 90 9.565 -1.578 5.948 1.00 1.92 H new ATOM 0 HD23 LEU A 90 10.412 -0.650 4.688 1.00 1.92 H new ATOM 454 N ILE A 91 9.720 3.629 4.734 1.00 0.55 N ATOM 455 CA ILE A 91 10.634 4.408 3.852 1.00 0.65 C ATOM 456 C ILE A 91 11.013 5.719 4.538 1.00 0.75 C ATOM 457 O ILE A 91 12.167 6.096 4.576 1.00 0.87 O ATOM 458 CB ILE A 91 9.935 4.707 2.525 1.00 0.63 C ATOM 459 CG1 ILE A 91 9.585 3.391 1.828 1.00 0.58 C ATOM 460 CG2 ILE A 91 10.869 5.525 1.630 1.00 0.75 C ATOM 461 CD1 ILE A 91 8.599 3.662 0.690 1.00 0.66 C ATOM 0 H ILE A 91 8.819 3.389 4.320 1.00 0.55 H new ATOM 0 HA ILE A 91 11.536 3.826 3.662 1.00 0.65 H new ATOM 0 HB ILE A 91 9.023 5.274 2.713 1.00 0.63 H new ATOM 0 HG12 ILE A 91 10.488 2.923 1.437 1.00 0.58 H new ATOM 0 HG13 ILE A 91 9.149 2.693 2.543 1.00 0.58 H new ATOM 0 HG21 ILE A 91 10.372 5.739 0.684 1.00 0.75 H new ATOM 0 HG22 ILE A 91 11.121 6.462 2.127 1.00 0.75 H new ATOM 0 HG23 ILE A 91 11.780 4.958 1.441 1.00 0.75 H new ATOM 0 HD11 ILE A 91 8.350 2.724 0.193 1.00 0.66 H new ATOM 0 HD12 ILE A 91 7.692 4.111 1.094 1.00 0.66 H new ATOM 0 HD13 ILE A 91 9.052 4.344 -0.029 1.00 0.66 H new ATOM 473 N SER A 92 10.056 6.423 5.078 1.00 0.73 N ATOM 474 CA SER A 92 10.391 7.707 5.748 1.00 0.87 C ATOM 475 C SER A 92 11.422 7.439 6.842 1.00 0.94 C ATOM 476 O SER A 92 12.423 8.118 6.941 1.00 1.07 O ATOM 477 CB SER A 92 9.129 8.306 6.371 1.00 0.86 C ATOM 478 OG SER A 92 8.155 8.509 5.356 1.00 1.29 O ATOM 0 H SER A 92 9.069 6.167 5.084 1.00 0.73 H new ATOM 0 HA SER A 92 10.797 8.408 5.019 1.00 0.87 H new ATOM 0 HB2 SER A 92 8.737 7.639 7.139 1.00 0.86 H new ATOM 0 HB3 SER A 92 9.364 9.252 6.860 1.00 0.86 H new ATOM 0 HG SER A 92 7.761 7.648 5.104 1.00 1.29 H new ATOM 484 N TYR A 93 11.201 6.445 7.659 1.00 0.89 N ATOM 485 CA TYR A 93 12.196 6.145 8.724 1.00 1.00 C ATOM 486 C TYR A 93 13.560 5.878 8.078 1.00 1.05 C ATOM 487 O TYR A 93 14.569 6.417 8.490 1.00 1.18 O ATOM 488 CB TYR A 93 11.750 4.911 9.512 1.00 0.96 C ATOM 489 CG TYR A 93 11.328 5.328 10.900 1.00 1.27 C ATOM 490 CD1 TYR A 93 12.118 6.222 11.632 1.00 1.62 C ATOM 491 CD2 TYR A 93 10.145 4.824 11.453 1.00 2.13 C ATOM 492 CE1 TYR A 93 11.726 6.610 12.919 1.00 1.95 C ATOM 493 CE2 TYR A 93 9.753 5.213 12.740 1.00 2.53 C ATOM 494 CZ TYR A 93 10.543 6.106 13.472 1.00 2.15 C ATOM 495 OH TYR A 93 10.157 6.490 14.740 1.00 2.64 O ATOM 0 H TYR A 93 10.384 5.835 7.635 1.00 0.89 H new ATOM 0 HA TYR A 93 12.272 6.994 9.403 1.00 1.00 H new ATOM 0 HB2 TYR A 93 10.923 4.419 9.001 1.00 0.96 H new ATOM 0 HB3 TYR A 93 12.564 4.189 9.569 1.00 0.96 H new ATOM 0 HD1 TYR A 93 13.030 6.612 11.204 1.00 1.62 H new ATOM 0 HD2 TYR A 93 9.535 4.135 10.887 1.00 2.13 H new ATOM 0 HE1 TYR A 93 12.336 7.298 13.485 1.00 1.95 H new ATOM 0 HE2 TYR A 93 8.841 4.824 13.167 1.00 2.53 H new ATOM 0 HH TYR A 93 9.313 6.050 14.972 1.00 2.64 H new ATOM 505 N GLY A 94 13.596 5.056 7.059 1.00 0.97 N ATOM 506 CA GLY A 94 14.890 4.765 6.380 1.00 1.05 C ATOM 507 C GLY A 94 15.509 6.068 5.877 1.00 1.16 C ATOM 508 O GLY A 94 16.678 6.331 6.075 1.00 1.29 O ATOM 0 H GLY A 94 12.785 4.576 6.670 1.00 0.97 H new ATOM 0 HA2 GLY A 94 15.572 4.270 7.071 1.00 1.05 H new ATOM 0 HA3 GLY A 94 14.729 4.081 5.546 1.00 1.05 H new ATOM 512 N ILE A 95 14.728 6.888 5.225 1.00 1.14 N ATOM 513 CA ILE A 95 15.272 8.178 4.706 1.00 1.29 C ATOM 514 C ILE A 95 15.862 8.982 5.871 1.00 1.41 C ATOM 515 O ILE A 95 16.957 9.499 5.788 1.00 1.55 O ATOM 516 CB ILE A 95 14.160 8.971 3.981 1.00 1.28 C ATOM 517 CG1 ILE A 95 14.746 9.608 2.718 1.00 1.74 C ATOM 518 CG2 ILE A 95 13.589 10.077 4.878 1.00 1.77 C ATOM 519 CD1 ILE A 95 15.158 8.511 1.734 1.00 2.19 C ATOM 0 H ILE A 95 13.741 6.722 5.030 1.00 1.14 H new ATOM 0 HA ILE A 95 16.064 7.982 3.983 1.00 1.29 H new ATOM 0 HB ILE A 95 13.354 8.282 3.729 1.00 1.28 H new ATOM 0 HG12 ILE A 95 14.011 10.267 2.256 1.00 1.74 H new ATOM 0 HG13 ILE A 95 15.609 10.223 2.975 1.00 1.74 H new ATOM 0 HG21 ILE A 95 12.810 10.616 4.339 1.00 1.77 H new ATOM 0 HG22 ILE A 95 13.166 9.633 5.779 1.00 1.77 H new ATOM 0 HG23 ILE A 95 14.385 10.769 5.154 1.00 1.77 H new ATOM 0 HD11 ILE A 95 15.575 8.966 0.836 1.00 2.19 H new ATOM 0 HD12 ILE A 95 15.908 7.870 2.197 1.00 2.19 H new ATOM 0 HD13 ILE A 95 14.285 7.915 1.467 1.00 2.19 H new ATOM 531 N ARG A 96 15.144 9.085 6.958 1.00 1.37 N ATOM 532 CA ARG A 96 15.662 9.851 8.127 1.00 1.51 C ATOM 533 C ARG A 96 17.009 9.268 8.549 1.00 1.58 C ATOM 534 O ARG A 96 17.964 9.981 8.779 1.00 1.73 O ATOM 535 CB ARG A 96 14.670 9.749 9.289 1.00 1.46 C ATOM 536 CG ARG A 96 13.353 10.423 8.897 1.00 1.73 C ATOM 537 CD ARG A 96 12.812 11.224 10.084 1.00 2.03 C ATOM 538 NE ARG A 96 12.605 10.313 11.247 1.00 2.00 N ATOM 539 CZ ARG A 96 12.426 10.810 12.441 1.00 2.45 C ATOM 540 NH1 ARG A 96 11.271 11.323 12.767 1.00 2.76 N ATOM 541 NH2 ARG A 96 13.401 10.792 13.309 1.00 3.14 N ATOM 0 H ARG A 96 14.221 8.671 7.086 1.00 1.37 H new ATOM 0 HA ARG A 96 15.785 10.899 7.854 1.00 1.51 H new ATOM 0 HB2 ARG A 96 14.495 8.703 9.541 1.00 1.46 H new ATOM 0 HB3 ARG A 96 15.084 10.225 10.178 1.00 1.46 H new ATOM 0 HG2 ARG A 96 13.510 11.081 8.043 1.00 1.73 H new ATOM 0 HG3 ARG A 96 12.625 9.671 8.591 1.00 1.73 H new ATOM 0 HD2 ARG A 96 13.511 12.017 10.350 1.00 2.03 H new ATOM 0 HD3 ARG A 96 11.872 11.705 9.814 1.00 2.03 H new ATOM 0 HE ARG A 96 12.603 9.302 11.109 1.00 2.00 H new ATOM 0 HH11 ARG A 96 10.509 11.335 12.089 1.00 2.76 H new ATOM 0 HH12 ARG A 96 11.130 11.711 13.700 1.00 2.76 H new ATOM 0 HH21 ARG A 96 14.303 10.390 13.054 1.00 3.14 H new ATOM 0 HH22 ARG A 96 13.261 11.180 14.242 1.00 3.14 H new ATOM 555 N ARG A 97 17.103 7.977 8.654 1.00 1.50 N ATOM 556 CA ARG A 97 18.399 7.373 9.054 1.00 1.59 C ATOM 557 C ARG A 97 19.484 7.812 8.069 1.00 1.69 C ATOM 558 O ARG A 97 20.562 8.216 8.457 1.00 1.84 O ATOM 559 CB ARG A 97 18.283 5.847 9.054 1.00 1.50 C ATOM 560 CG ARG A 97 19.511 5.240 9.736 1.00 1.77 C ATOM 561 CD ARG A 97 20.430 4.624 8.679 1.00 2.23 C ATOM 562 NE ARG A 97 19.824 3.364 8.158 1.00 2.70 N ATOM 563 CZ ARG A 97 19.163 2.573 8.960 1.00 3.07 C ATOM 564 NH1 ARG A 97 19.683 2.217 10.103 1.00 3.56 N ATOM 565 NH2 ARG A 97 17.981 2.138 8.617 1.00 3.58 N ATOM 0 H ARG A 97 16.345 7.317 8.482 1.00 1.50 H new ATOM 0 HA ARG A 97 18.662 7.706 10.058 1.00 1.59 H new ATOM 0 HB2 ARG A 97 17.376 5.541 9.576 1.00 1.50 H new ATOM 0 HB3 ARG A 97 18.203 5.478 8.031 1.00 1.50 H new ATOM 0 HG2 ARG A 97 20.046 6.007 10.295 1.00 1.77 H new ATOM 0 HG3 ARG A 97 19.203 4.479 10.453 1.00 1.77 H new ATOM 0 HD2 ARG A 97 20.585 5.329 7.862 1.00 2.23 H new ATOM 0 HD3 ARG A 97 21.409 4.417 9.111 1.00 2.23 H new ATOM 0 HE ARG A 97 19.926 3.120 7.173 1.00 2.70 H new ATOM 0 HH11 ARG A 97 20.607 2.557 10.371 1.00 3.56 H new ATOM 0 HH12 ARG A 97 19.166 1.599 10.728 1.00 3.56 H new ATOM 0 HH21 ARG A 97 17.575 2.416 7.724 1.00 3.58 H new ATOM 0 HH22 ARG A 97 17.464 1.520 9.242 1.00 3.58 H new ATOM 579 N LEU A 98 19.210 7.733 6.795 1.00 1.64 N ATOM 580 CA LEU A 98 20.228 8.144 5.787 1.00 1.75 C ATOM 581 C LEU A 98 20.649 9.594 6.045 1.00 1.91 C ATOM 582 O LEU A 98 21.821 9.914 6.062 1.00 2.05 O ATOM 583 CB LEU A 98 19.631 8.032 4.382 1.00 1.69 C ATOM 584 CG LEU A 98 20.430 7.014 3.567 1.00 2.11 C ATOM 585 CD1 LEU A 98 19.560 6.473 2.431 1.00 2.66 C ATOM 586 CD2 LEU A 98 21.670 7.692 2.981 1.00 2.38 C ATOM 0 H LEU A 98 18.326 7.402 6.409 1.00 1.64 H new ATOM 0 HA LEU A 98 21.098 7.492 5.867 1.00 1.75 H new ATOM 0 HB2 LEU A 98 18.587 7.726 4.443 1.00 1.69 H new ATOM 0 HB3 LEU A 98 19.650 9.004 3.889 1.00 1.69 H new ATOM 0 HG LEU A 98 20.736 6.191 4.213 1.00 2.11 H new ATOM 0 HD11 LEU A 98 20.130 5.748 1.850 1.00 2.66 H new ATOM 0 HD12 LEU A 98 18.676 5.990 2.848 1.00 2.66 H new ATOM 0 HD13 LEU A 98 19.254 7.295 1.784 1.00 2.66 H new ATOM 0 HD21 LEU A 98 22.240 6.967 2.400 1.00 2.38 H new ATOM 0 HD22 LEU A 98 21.364 8.515 2.335 1.00 2.38 H new ATOM 0 HD23 LEU A 98 22.291 8.077 3.790 1.00 2.38 H new ATOM 598 N ILE A 99 19.705 10.473 6.249 1.00 1.90 N ATOM 599 CA ILE A 99 20.060 11.895 6.508 1.00 2.06 C ATOM 600 C ILE A 99 20.416 12.062 7.993 1.00 2.14 C ATOM 601 O ILE A 99 21.407 11.534 8.457 1.00 2.20 O ATOM 602 CB ILE A 99 18.873 12.791 6.138 1.00 2.05 C ATOM 603 CG1 ILE A 99 17.582 12.179 6.687 1.00 1.98 C ATOM 604 CG2 ILE A 99 18.771 12.906 4.616 1.00 2.03 C ATOM 605 CD1 ILE A 99 16.620 13.296 7.094 1.00 2.00 C ATOM 0 H ILE A 99 18.706 10.267 6.247 1.00 1.90 H new ATOM 0 HA ILE A 99 20.919 12.183 5.902 1.00 2.06 H new ATOM 0 HB ILE A 99 19.021 13.782 6.568 1.00 2.05 H new ATOM 0 HG12 ILE A 99 17.119 11.543 5.932 1.00 1.98 H new ATOM 0 HG13 ILE A 99 17.804 11.545 7.546 1.00 1.98 H new ATOM 0 HG21 ILE A 99 17.926 13.544 4.355 1.00 2.03 H new ATOM 0 HG22 ILE A 99 19.689 13.341 4.222 1.00 2.03 H new ATOM 0 HG23 ILE A 99 18.625 11.915 4.185 1.00 2.03 H new ATOM 0 HD11 ILE A 99 15.701 12.860 7.485 1.00 2.00 H new ATOM 0 HD12 ILE A 99 17.084 13.914 7.863 1.00 2.00 H new ATOM 0 HD13 ILE A 99 16.389 13.912 6.225 1.00 2.00 H new ATOM 617 N LYS A 100 19.624 12.780 8.748 1.00 2.35 N ATOM 618 CA LYS A 100 19.937 12.956 10.194 1.00 2.45 C ATOM 619 C LYS A 100 21.410 13.338 10.357 1.00 2.85 C ATOM 620 O LYS A 100 22.118 13.548 9.393 1.00 3.21 O ATOM 621 CB LYS A 100 19.661 11.646 10.935 1.00 2.30 C ATOM 622 CG LYS A 100 18.785 11.925 12.158 1.00 2.60 C ATOM 623 CD LYS A 100 17.314 11.728 11.788 1.00 2.94 C ATOM 624 CE LYS A 100 16.538 13.013 12.080 1.00 3.56 C ATOM 625 NZ LYS A 100 15.876 12.901 13.410 1.00 3.91 N ATOM 0 H LYS A 100 18.778 13.249 8.425 1.00 2.35 H new ATOM 0 HA LYS A 100 19.312 13.747 10.609 1.00 2.45 H new ATOM 0 HB2 LYS A 100 19.163 10.939 10.272 1.00 2.30 H new ATOM 0 HB3 LYS A 100 20.600 11.186 11.244 1.00 2.30 H new ATOM 0 HG2 LYS A 100 19.058 11.256 12.974 1.00 2.60 H new ATOM 0 HG3 LYS A 100 18.949 12.943 12.511 1.00 2.60 H new ATOM 0 HD2 LYS A 100 17.225 11.469 10.733 1.00 2.94 H new ATOM 0 HD3 LYS A 100 16.893 10.899 12.357 1.00 2.94 H new ATOM 0 HE2 LYS A 100 17.213 13.869 12.069 1.00 3.56 H new ATOM 0 HE3 LYS A 100 15.792 13.185 11.304 1.00 3.56 H new ATOM 0 HZ1 LYS A 100 15.001 13.462 13.410 1.00 3.91 H new ATOM 0 HZ2 LYS A 100 15.648 11.904 13.602 1.00 3.91 H new ATOM 0 HZ3 LYS A 100 16.516 13.258 14.148 1.00 3.91 H new ATOM 639 N LYS A 101 21.877 13.429 11.573 1.00 3.09 N ATOM 640 CA LYS A 101 23.304 13.797 11.797 1.00 3.63 C ATOM 641 C LYS A 101 23.538 15.239 11.341 1.00 4.10 C ATOM 642 O LYS A 101 24.649 15.717 11.500 1.00 4.56 O ATOM 643 CB LYS A 101 24.204 12.857 10.994 1.00 3.99 C ATOM 644 CG LYS A 101 25.607 12.848 11.605 1.00 4.58 C ATOM 645 CD LYS A 101 26.651 12.848 10.487 1.00 5.25 C ATOM 646 CE LYS A 101 27.987 13.350 11.037 1.00 6.09 C ATOM 647 NZ LYS A 101 28.419 12.475 12.164 1.00 6.53 N ATOM 648 OXT LYS A 101 22.602 15.840 10.839 1.00 4.44 O ATOM 0 H LYS A 101 21.333 13.265 12.420 1.00 3.09 H new ATOM 0 HA LYS A 101 23.539 13.709 12.858 1.00 3.63 H new ATOM 0 HB2 LYS A 101 23.789 11.849 10.996 1.00 3.99 H new ATOM 0 HB3 LYS A 101 24.251 13.181 9.954 1.00 3.99 H new ATOM 0 HG2 LYS A 101 25.743 13.721 12.244 1.00 4.58 H new ATOM 0 HG3 LYS A 101 25.735 11.969 12.236 1.00 4.58 H new ATOM 0 HD2 LYS A 101 26.767 11.842 10.083 1.00 5.25 H new ATOM 0 HD3 LYS A 101 26.321 13.485 9.667 1.00 5.25 H new ATOM 0 HE2 LYS A 101 28.741 13.347 10.250 1.00 6.09 H new ATOM 0 HE3 LYS A 101 27.888 14.380 11.379 1.00 6.09 H new ATOM 0 HZ1 LYS A 101 29.419 12.659 12.383 1.00 6.53 H new ATOM 0 HZ2 LYS A 101 27.838 12.677 13.003 1.00 6.53 H new ATOM 0 HZ3 LYS A 101 28.302 11.478 11.894 1.00 6.53 H new TER 662 LYS A 101 ATOM 663 N VAL B 62 -3.392 -4.794 -8.901 1.00 19.64 N ATOM 664 CA VAL B 62 -4.655 -4.219 -8.358 1.00 19.45 C ATOM 665 C VAL B 62 -5.846 -4.765 -9.149 1.00 18.79 C ATOM 666 O VAL B 62 -6.600 -4.022 -9.745 1.00 19.02 O ATOM 667 CB VAL B 62 -4.616 -2.695 -8.483 1.00 19.77 C ATOM 668 CG1 VAL B 62 -4.625 -2.304 -9.962 1.00 20.22 C ATOM 669 CG2 VAL B 62 -5.843 -2.097 -7.792 1.00 19.99 C ATOM 0 HA VAL B 62 -4.758 -4.495 -7.309 1.00 19.45 H new ATOM 0 HB VAL B 62 -3.710 -2.315 -8.012 1.00 19.77 H new ATOM 0 HG11 VAL B 62 -4.597 -1.218 -10.051 1.00 20.22 H new ATOM 0 HG12 VAL B 62 -3.753 -2.731 -10.457 1.00 20.22 H new ATOM 0 HG13 VAL B 62 -5.532 -2.684 -10.433 1.00 20.22 H new ATOM 0 HG21 VAL B 62 -5.817 -1.011 -7.880 1.00 19.99 H new ATOM 0 HG22 VAL B 62 -6.748 -2.478 -8.265 1.00 19.99 H new ATOM 0 HG23 VAL B 62 -5.839 -2.376 -6.738 1.00 19.99 H new ATOM 681 N GLN B 63 -6.022 -6.059 -9.160 1.00 18.10 N ATOM 682 CA GLN B 63 -7.166 -6.648 -9.913 1.00 17.56 C ATOM 683 C GLN B 63 -8.481 -6.194 -9.275 1.00 16.86 C ATOM 684 O GLN B 63 -8.572 -6.020 -8.076 1.00 16.59 O ATOM 685 CB GLN B 63 -7.079 -8.177 -9.869 1.00 17.30 C ATOM 686 CG GLN B 63 -5.916 -8.658 -10.741 1.00 17.01 C ATOM 687 CD GLN B 63 -5.976 -7.967 -12.105 1.00 16.75 C ATOM 688 OE1 GLN B 63 -5.113 -7.178 -12.437 1.00 17.03 O ATOM 689 NE2 GLN B 63 -6.964 -8.232 -12.914 1.00 16.36 N ATOM 0 H GLN B 63 -5.424 -6.732 -8.681 1.00 18.10 H new ATOM 0 HA GLN B 63 -7.128 -6.314 -10.950 1.00 17.56 H new ATOM 0 HB2 GLN B 63 -6.938 -8.512 -8.842 1.00 17.30 H new ATOM 0 HB3 GLN B 63 -8.014 -8.613 -10.221 1.00 17.30 H new ATOM 0 HG2 GLN B 63 -4.967 -8.438 -10.252 1.00 17.01 H new ATOM 0 HG3 GLN B 63 -5.966 -9.739 -10.868 1.00 17.01 H new ATOM 0 HE21 GLN B 63 -7.688 -8.894 -12.635 1.00 16.36 H new ATOM 0 HE22 GLN B 63 -7.013 -7.777 -13.826 1.00 16.36 H new ATOM 698 N LEU B 64 -9.500 -6.000 -10.068 1.00 16.69 N ATOM 699 CA LEU B 64 -10.806 -5.556 -9.504 1.00 16.15 C ATOM 700 C LEU B 64 -11.944 -6.328 -10.174 1.00 15.61 C ATOM 701 O LEU B 64 -13.107 -6.044 -9.964 1.00 15.57 O ATOM 702 CB LEU B 64 -10.989 -4.059 -9.762 1.00 16.73 C ATOM 703 CG LEU B 64 -11.614 -3.401 -8.532 1.00 16.88 C ATOM 704 CD1 LEU B 64 -10.702 -3.608 -7.321 1.00 17.47 C ATOM 705 CD2 LEU B 64 -11.786 -1.902 -8.789 1.00 17.27 C ATOM 0 H LEU B 64 -9.484 -6.130 -11.080 1.00 16.69 H new ATOM 0 HA LEU B 64 -10.820 -5.747 -8.431 1.00 16.15 H new ATOM 0 HB2 LEU B 64 -10.027 -3.598 -9.985 1.00 16.73 H new ATOM 0 HB3 LEU B 64 -11.626 -3.905 -10.633 1.00 16.73 H new ATOM 0 HG LEU B 64 -12.587 -3.852 -8.335 1.00 16.88 H new ATOM 0 HD11 LEU B 64 -11.149 -3.138 -6.445 1.00 17.47 H new ATOM 0 HD12 LEU B 64 -10.578 -4.675 -7.137 1.00 17.47 H new ATOM 0 HD13 LEU B 64 -9.729 -3.158 -7.517 1.00 17.47 H new ATOM 0 HD21 LEU B 64 -12.232 -1.431 -7.913 1.00 17.27 H new ATOM 0 HD22 LEU B 64 -10.813 -1.453 -8.987 1.00 17.27 H new ATOM 0 HD23 LEU B 64 -12.436 -1.753 -9.651 1.00 17.27 H new ATOM 717 N ALA B 65 -11.623 -7.302 -10.981 1.00 15.34 N ATOM 718 CA ALA B 65 -12.691 -8.087 -11.661 1.00 14.99 C ATOM 719 C ALA B 65 -13.253 -9.132 -10.694 1.00 14.10 C ATOM 720 O ALA B 65 -14.286 -9.724 -10.937 1.00 13.96 O ATOM 721 CB ALA B 65 -12.107 -8.789 -12.889 1.00 15.58 C ATOM 0 H ALA B 65 -10.668 -7.588 -11.198 1.00 15.34 H new ATOM 0 HA ALA B 65 -13.491 -7.415 -11.973 1.00 14.99 H new ATOM 0 HB1 ALA B 65 -12.889 -9.363 -13.386 1.00 15.58 H new ATOM 0 HB2 ALA B 65 -11.709 -8.045 -13.579 1.00 15.58 H new ATOM 0 HB3 ALA B 65 -11.306 -9.460 -12.578 1.00 15.58 H new ATOM 727 N HIS B 66 -12.580 -9.361 -9.598 1.00 13.65 N ATOM 728 CA HIS B 66 -13.072 -10.366 -8.610 1.00 12.91 C ATOM 729 C HIS B 66 -12.747 -11.777 -9.106 1.00 12.30 C ATOM 730 O HIS B 66 -13.267 -12.230 -10.106 1.00 12.38 O ATOM 731 CB HIS B 66 -14.586 -10.222 -8.443 1.00 12.96 C ATOM 732 CG HIS B 66 -14.948 -10.363 -6.989 1.00 13.34 C ATOM 733 ND1 HIS B 66 -14.877 -9.299 -6.103 1.00 13.54 N ATOM 734 CD2 HIS B 66 -15.387 -11.435 -6.252 1.00 13.74 C ATOM 735 CE1 HIS B 66 -15.265 -9.750 -4.896 1.00 14.03 C ATOM 736 NE2 HIS B 66 -15.586 -11.046 -4.931 1.00 14.18 N ATOM 0 H HIS B 66 -11.709 -8.895 -9.344 1.00 13.65 H new ATOM 0 HA HIS B 66 -12.582 -10.197 -7.651 1.00 12.91 H new ATOM 0 HB2 HIS B 66 -14.913 -9.252 -8.817 1.00 12.96 H new ATOM 0 HB3 HIS B 66 -15.101 -10.981 -9.032 1.00 12.96 H new ATOM 0 HD2 HIS B 66 -15.553 -12.430 -6.639 1.00 13.74 H new ATOM 0 HE1 HIS B 66 -15.311 -9.138 -4.007 1.00 14.03 H new ATOM 0 HE2 HIS B 66 -15.908 -11.626 -4.156 1.00 14.18 H new ATOM 744 N HIS B 67 -11.890 -12.476 -8.411 1.00 11.87 N ATOM 745 CA HIS B 67 -11.532 -13.858 -8.840 1.00 11.46 C ATOM 746 C HIS B 67 -10.315 -14.338 -8.047 1.00 10.55 C ATOM 747 O HIS B 67 -9.448 -15.009 -8.570 1.00 10.53 O ATOM 748 CB HIS B 67 -11.201 -13.862 -10.333 1.00 11.84 C ATOM 749 CG HIS B 67 -12.320 -14.518 -11.093 1.00 12.35 C ATOM 750 ND1 HIS B 67 -12.990 -13.877 -12.122 1.00 12.68 N ATOM 751 CD2 HIS B 67 -12.898 -15.759 -10.984 1.00 12.80 C ATOM 752 CE1 HIS B 67 -13.924 -14.725 -12.589 1.00 13.29 C ATOM 753 NE2 HIS B 67 -13.911 -15.887 -11.930 1.00 13.39 N ATOM 0 H HIS B 67 -11.423 -12.149 -7.565 1.00 11.87 H new ATOM 0 HA HIS B 67 -12.374 -14.524 -8.654 1.00 11.46 H new ATOM 0 HB2 HIS B 67 -11.056 -12.841 -10.687 1.00 11.84 H new ATOM 0 HB3 HIS B 67 -10.267 -14.396 -10.508 1.00 11.84 H new ATOM 0 HD2 HIS B 67 -12.611 -16.519 -10.273 1.00 12.80 H new ATOM 0 HE1 HIS B 67 -14.602 -14.495 -13.398 1.00 13.29 H new ATOM 0 HE2 HIS B 67 -14.514 -16.695 -12.086 1.00 13.39 H new ATOM 761 N PHE B 68 -10.243 -13.999 -6.789 1.00 10.00 N ATOM 762 CA PHE B 68 -9.081 -14.436 -5.966 1.00 9.29 C ATOM 763 C PHE B 68 -9.558 -14.793 -4.557 1.00 8.27 C ATOM 764 O PHE B 68 -9.881 -15.929 -4.270 1.00 8.29 O ATOM 765 CB PHE B 68 -8.058 -13.301 -5.887 1.00 9.52 C ATOM 766 CG PHE B 68 -6.932 -13.569 -6.856 1.00 10.43 C ATOM 767 CD1 PHE B 68 -7.152 -13.460 -8.234 1.00 10.86 C ATOM 768 CD2 PHE B 68 -5.667 -13.926 -6.375 1.00 11.07 C ATOM 769 CE1 PHE B 68 -6.107 -13.708 -9.132 1.00 11.86 C ATOM 770 CE2 PHE B 68 -4.621 -14.174 -7.273 1.00 12.06 C ATOM 771 CZ PHE B 68 -4.841 -14.065 -8.651 1.00 12.43 C ATOM 0 H PHE B 68 -10.938 -13.439 -6.296 1.00 10.00 H new ATOM 0 HA PHE B 68 -8.619 -15.311 -6.424 1.00 9.29 H new ATOM 0 HB2 PHE B 68 -8.536 -12.350 -6.122 1.00 9.52 H new ATOM 0 HB3 PHE B 68 -7.667 -13.219 -4.873 1.00 9.52 H new ATOM 0 HD1 PHE B 68 -8.128 -13.184 -8.605 1.00 10.86 H new ATOM 0 HD2 PHE B 68 -5.497 -14.010 -5.312 1.00 11.07 H new ATOM 0 HE1 PHE B 68 -6.277 -13.624 -10.195 1.00 11.86 H new ATOM 0 HE2 PHE B 68 -3.645 -14.449 -6.902 1.00 12.06 H new ATOM 0 HZ PHE B 68 -4.034 -14.256 -9.343 1.00 12.43 H new ATOM 781 N SER B 69 -9.606 -13.832 -3.675 1.00 7.61 N ATOM 782 CA SER B 69 -10.063 -14.119 -2.286 1.00 6.80 C ATOM 783 C SER B 69 -11.584 -13.976 -2.210 1.00 5.60 C ATOM 784 O SER B 69 -12.117 -12.884 -2.223 1.00 5.39 O ATOM 785 CB SER B 69 -9.407 -13.131 -1.321 1.00 7.36 C ATOM 786 OG SER B 69 -8.010 -13.387 -1.265 1.00 8.12 O ATOM 0 H SER B 69 -9.349 -12.862 -3.856 1.00 7.61 H new ATOM 0 HA SER B 69 -9.781 -15.136 -2.012 1.00 6.80 H new ATOM 0 HB2 SER B 69 -9.588 -12.108 -1.651 1.00 7.36 H new ATOM 0 HB3 SER B 69 -9.846 -13.228 -0.328 1.00 7.36 H new ATOM 0 HG SER B 69 -7.625 -12.933 -0.486 1.00 8.12 H new ATOM 792 N GLU B 70 -12.288 -15.072 -2.131 1.00 5.12 N ATOM 793 CA GLU B 70 -13.774 -15.002 -2.055 1.00 4.22 C ATOM 794 C GLU B 70 -14.202 -14.391 -0.715 1.00 3.04 C ATOM 795 O GLU B 70 -14.934 -13.422 -0.689 1.00 3.18 O ATOM 796 CB GLU B 70 -14.359 -16.410 -2.188 1.00 4.88 C ATOM 797 CG GLU B 70 -14.967 -16.580 -3.582 1.00 5.77 C ATOM 798 CD GLU B 70 -13.930 -17.200 -4.521 1.00 6.71 C ATOM 799 OE1 GLU B 70 -13.412 -18.252 -4.186 1.00 7.29 O ATOM 800 OE2 GLU B 70 -13.672 -16.611 -5.558 1.00 7.09 O ATOM 0 H GLU B 70 -11.897 -16.014 -2.116 1.00 5.12 H new ATOM 0 HA GLU B 70 -14.145 -14.375 -2.866 1.00 4.22 H new ATOM 0 HB2 GLU B 70 -13.581 -17.156 -2.026 1.00 4.88 H new ATOM 0 HB3 GLU B 70 -15.120 -16.573 -1.425 1.00 4.88 H new ATOM 0 HG2 GLU B 70 -15.851 -17.215 -3.529 1.00 5.77 H new ATOM 0 HG3 GLU B 70 -15.291 -15.614 -3.969 1.00 5.77 H new ATOM 807 N PRO B 71 -13.737 -14.977 0.362 1.00 2.28 N ATOM 808 CA PRO B 71 -14.071 -14.499 1.717 1.00 1.48 C ATOM 809 C PRO B 71 -13.601 -13.053 1.908 1.00 1.33 C ATOM 810 O PRO B 71 -12.702 -12.586 1.235 1.00 1.29 O ATOM 811 CB PRO B 71 -13.317 -15.442 2.665 1.00 2.00 C ATOM 812 CG PRO B 71 -12.577 -16.491 1.796 1.00 2.71 C ATOM 813 CD PRO B 71 -12.849 -16.154 0.321 1.00 2.87 C ATOM 0 HA PRO B 71 -15.145 -14.505 1.902 1.00 1.48 H new ATOM 0 HB2 PRO B 71 -12.608 -14.883 3.276 1.00 2.00 H new ATOM 0 HB3 PRO B 71 -14.010 -15.932 3.348 1.00 2.00 H new ATOM 0 HG2 PRO B 71 -11.507 -16.471 2.001 1.00 2.71 H new ATOM 0 HG3 PRO B 71 -12.928 -17.496 2.029 1.00 2.71 H new ATOM 0 HD2 PRO B 71 -11.924 -15.933 -0.212 1.00 2.87 H new ATOM 0 HD3 PRO B 71 -13.323 -16.989 -0.195 1.00 2.87 H new ATOM 821 N GLU B 72 -14.203 -12.343 2.823 1.00 1.30 N ATOM 822 CA GLU B 72 -13.796 -10.929 3.060 1.00 1.19 C ATOM 823 C GLU B 72 -12.373 -10.886 3.620 1.00 1.06 C ATOM 824 O GLU B 72 -11.440 -10.519 2.935 1.00 1.01 O ATOM 825 CB GLU B 72 -14.753 -10.284 4.064 1.00 1.29 C ATOM 826 CG GLU B 72 -16.170 -10.277 3.490 1.00 1.90 C ATOM 827 CD GLU B 72 -17.138 -10.864 4.518 1.00 2.25 C ATOM 828 OE1 GLU B 72 -16.951 -12.010 4.891 1.00 2.89 O ATOM 829 OE2 GLU B 72 -18.050 -10.158 4.915 1.00 2.52 O ATOM 0 H GLU B 72 -14.960 -12.682 3.417 1.00 1.30 H new ATOM 0 HA GLU B 72 -13.830 -10.384 2.117 1.00 1.19 H new ATOM 0 HB2 GLU B 72 -14.734 -10.834 5.005 1.00 1.29 H new ATOM 0 HB3 GLU B 72 -14.434 -9.265 4.283 1.00 1.29 H new ATOM 0 HG2 GLU B 72 -16.466 -9.259 3.235 1.00 1.90 H new ATOM 0 HG3 GLU B 72 -16.204 -10.859 2.569 1.00 1.90 H new ATOM 836 N ILE B 73 -12.204 -11.251 4.865 1.00 1.07 N ATOM 837 CA ILE B 73 -10.850 -11.227 5.483 1.00 0.98 C ATOM 838 C ILE B 73 -9.802 -11.712 4.478 1.00 0.89 C ATOM 839 O ILE B 73 -8.726 -11.157 4.372 1.00 0.82 O ATOM 840 CB ILE B 73 -10.847 -12.131 6.719 1.00 1.09 C ATOM 841 CG1 ILE B 73 -9.672 -11.747 7.610 1.00 1.29 C ATOM 842 CG2 ILE B 73 -10.716 -13.599 6.301 1.00 1.27 C ATOM 843 CD1 ILE B 73 -10.200 -11.249 8.955 1.00 2.11 C ATOM 0 H ILE B 73 -12.953 -11.566 5.482 1.00 1.07 H new ATOM 0 HA ILE B 73 -10.603 -10.206 5.775 1.00 0.98 H new ATOM 0 HB ILE B 73 -11.784 -12.004 7.262 1.00 1.09 H new ATOM 0 HG12 ILE B 73 -9.018 -12.606 7.759 1.00 1.29 H new ATOM 0 HG13 ILE B 73 -9.075 -10.971 7.130 1.00 1.29 H new ATOM 0 HG21 ILE B 73 -10.715 -14.231 7.189 1.00 1.27 H new ATOM 0 HG22 ILE B 73 -11.556 -13.872 5.662 1.00 1.27 H new ATOM 0 HG23 ILE B 73 -9.784 -13.740 5.754 1.00 1.27 H new ATOM 0 HD11 ILE B 73 -9.362 -10.973 9.595 1.00 2.11 H new ATOM 0 HD12 ILE B 73 -10.837 -10.379 8.796 1.00 2.11 H new ATOM 0 HD13 ILE B 73 -10.778 -12.039 9.434 1.00 2.11 H new ATOM 855 N THR B 74 -10.107 -12.741 3.738 1.00 0.92 N ATOM 856 CA THR B 74 -9.128 -13.256 2.740 1.00 0.87 C ATOM 857 C THR B 74 -8.831 -12.165 1.708 1.00 0.77 C ATOM 858 O THR B 74 -7.691 -11.914 1.366 1.00 0.69 O ATOM 859 CB THR B 74 -9.701 -14.494 2.040 1.00 0.99 C ATOM 860 OG1 THR B 74 -11.095 -14.320 1.818 1.00 1.57 O ATOM 861 CG2 THR B 74 -9.474 -15.726 2.916 1.00 1.43 C ATOM 0 H THR B 74 -10.991 -13.248 3.781 1.00 0.92 H new ATOM 0 HA THR B 74 -8.205 -13.533 3.249 1.00 0.87 H new ATOM 0 HB THR B 74 -9.199 -14.630 1.082 1.00 0.99 H new ATOM 0 HG1 THR B 74 -11.239 -13.547 1.233 1.00 1.57 H new ATOM 0 HG21 THR B 74 -9.881 -16.606 2.419 1.00 1.43 H new ATOM 0 HG22 THR B 74 -8.405 -15.864 3.080 1.00 1.43 H new ATOM 0 HG23 THR B 74 -9.973 -15.588 3.875 1.00 1.43 H new ATOM 869 N LEU B 75 -9.842 -11.519 1.195 1.00 0.81 N ATOM 870 CA LEU B 75 -9.590 -10.456 0.182 1.00 0.74 C ATOM 871 C LEU B 75 -9.026 -9.209 0.863 1.00 0.62 C ATOM 872 O LEU B 75 -8.058 -8.638 0.407 1.00 0.52 O ATOM 873 CB LEU B 75 -10.898 -10.092 -0.530 1.00 0.87 C ATOM 874 CG LEU B 75 -10.614 -9.763 -1.999 1.00 1.11 C ATOM 875 CD1 LEU B 75 -11.821 -9.042 -2.601 1.00 1.02 C ATOM 876 CD2 LEU B 75 -9.383 -8.857 -2.100 1.00 1.63 C ATOM 0 H LEU B 75 -10.822 -11.679 1.430 1.00 0.81 H new ATOM 0 HA LEU B 75 -8.870 -10.830 -0.546 1.00 0.74 H new ATOM 0 HB2 LEU B 75 -11.602 -10.921 -0.463 1.00 0.87 H new ATOM 0 HB3 LEU B 75 -11.364 -9.237 -0.040 1.00 0.87 H new ATOM 0 HG LEU B 75 -10.427 -10.688 -2.544 1.00 1.11 H new ATOM 0 HD11 LEU B 75 -11.620 -8.807 -3.646 1.00 1.02 H new ATOM 0 HD12 LEU B 75 -12.699 -9.685 -2.535 1.00 1.02 H new ATOM 0 HD13 LEU B 75 -12.005 -8.119 -2.051 1.00 1.02 H new ATOM 0 HD21 LEU B 75 -9.186 -8.626 -3.147 1.00 1.63 H new ATOM 0 HD22 LEU B 75 -9.566 -7.932 -1.553 1.00 1.63 H new ATOM 0 HD23 LEU B 75 -8.520 -9.367 -1.672 1.00 1.63 H new ATOM 888 N ILE B 76 -9.615 -8.766 1.943 1.00 0.66 N ATOM 889 CA ILE B 76 -9.074 -7.546 2.606 1.00 0.59 C ATOM 890 C ILE B 76 -7.607 -7.774 2.976 1.00 0.48 C ATOM 891 O ILE B 76 -6.752 -6.963 2.677 1.00 0.39 O ATOM 892 CB ILE B 76 -9.879 -7.249 3.873 1.00 0.70 C ATOM 893 CG1 ILE B 76 -11.356 -7.076 3.511 1.00 0.89 C ATOM 894 CG2 ILE B 76 -9.357 -5.963 4.517 1.00 0.73 C ATOM 895 CD1 ILE B 76 -12.204 -7.151 4.782 1.00 1.02 C ATOM 0 H ILE B 76 -10.431 -9.187 2.387 1.00 0.66 H new ATOM 0 HA ILE B 76 -9.150 -6.700 1.923 1.00 0.59 H new ATOM 0 HB ILE B 76 -9.772 -8.077 4.574 1.00 0.70 H new ATOM 0 HG12 ILE B 76 -11.510 -6.118 3.014 1.00 0.89 H new ATOM 0 HG13 ILE B 76 -11.663 -7.852 2.810 1.00 0.89 H new ATOM 0 HG21 ILE B 76 -9.929 -5.750 5.420 1.00 0.73 H new ATOM 0 HG22 ILE B 76 -8.305 -6.086 4.775 1.00 0.73 H new ATOM 0 HG23 ILE B 76 -9.464 -5.135 3.816 1.00 0.73 H new ATOM 0 HD11 ILE B 76 -13.256 -7.028 4.525 1.00 1.02 H new ATOM 0 HD12 ILE B 76 -12.058 -8.120 5.260 1.00 1.02 H new ATOM 0 HD13 ILE B 76 -11.903 -6.359 5.468 1.00 1.02 H new ATOM 907 N ILE B 77 -7.298 -8.883 3.598 1.00 0.51 N ATOM 908 CA ILE B 77 -5.875 -9.156 3.945 1.00 0.45 C ATOM 909 C ILE B 77 -5.048 -9.147 2.660 1.00 0.35 C ATOM 910 O ILE B 77 -4.003 -8.530 2.578 1.00 0.30 O ATOM 911 CB ILE B 77 -5.753 -10.509 4.655 1.00 0.52 C ATOM 912 CG1 ILE B 77 -4.354 -10.642 5.259 1.00 1.19 C ATOM 913 CG2 ILE B 77 -5.988 -11.648 3.665 1.00 1.41 C ATOM 914 CD1 ILE B 77 -4.469 -10.834 6.772 1.00 1.86 C ATOM 0 H ILE B 77 -7.964 -9.604 3.877 1.00 0.51 H new ATOM 0 HA ILE B 77 -5.504 -8.387 4.622 1.00 0.45 H new ATOM 0 HB ILE B 77 -6.503 -10.564 5.444 1.00 0.52 H new ATOM 0 HG12 ILE B 77 -3.832 -11.489 4.813 1.00 1.19 H new ATOM 0 HG13 ILE B 77 -3.765 -9.752 5.038 1.00 1.19 H new ATOM 0 HG21 ILE B 77 -5.899 -12.604 4.182 1.00 1.41 H new ATOM 0 HG22 ILE B 77 -6.987 -11.559 3.238 1.00 1.41 H new ATOM 0 HG23 ILE B 77 -5.247 -11.596 2.868 1.00 1.41 H new ATOM 0 HD11 ILE B 77 -3.473 -10.929 7.203 1.00 1.86 H new ATOM 0 HD12 ILE B 77 -4.974 -9.973 7.211 1.00 1.86 H new ATOM 0 HD13 ILE B 77 -5.043 -11.737 6.982 1.00 1.86 H new ATOM 926 N PHE B 78 -5.523 -9.829 1.651 1.00 0.37 N ATOM 927 CA PHE B 78 -4.786 -9.872 0.354 1.00 0.34 C ATOM 928 C PHE B 78 -4.586 -8.451 -0.166 1.00 0.29 C ATOM 929 O PHE B 78 -3.509 -8.080 -0.586 1.00 0.27 O ATOM 930 CB PHE B 78 -5.576 -10.684 -0.678 1.00 0.44 C ATOM 931 CG PHE B 78 -4.974 -12.065 -0.795 1.00 1.05 C ATOM 932 CD1 PHE B 78 -5.146 -12.993 0.239 1.00 1.80 C ATOM 933 CD2 PHE B 78 -4.243 -12.415 -1.937 1.00 1.97 C ATOM 934 CE1 PHE B 78 -4.586 -14.272 0.131 1.00 2.57 C ATOM 935 CE2 PHE B 78 -3.684 -13.695 -2.044 1.00 2.71 C ATOM 936 CZ PHE B 78 -3.856 -14.623 -1.010 1.00 2.81 C ATOM 0 H PHE B 78 -6.394 -10.360 1.670 1.00 0.37 H new ATOM 0 HA PHE B 78 -3.818 -10.346 0.514 1.00 0.34 H new ATOM 0 HB2 PHE B 78 -6.622 -10.755 -0.379 1.00 0.44 H new ATOM 0 HB3 PHE B 78 -5.555 -10.183 -1.646 1.00 0.44 H new ATOM 0 HD1 PHE B 78 -5.710 -12.723 1.119 1.00 1.80 H new ATOM 0 HD2 PHE B 78 -4.110 -11.699 -2.734 1.00 1.97 H new ATOM 0 HE1 PHE B 78 -4.718 -14.988 0.929 1.00 2.57 H new ATOM 0 HE2 PHE B 78 -3.120 -13.966 -2.924 1.00 2.71 H new ATOM 0 HZ PHE B 78 -3.425 -15.610 -1.093 1.00 2.81 H new ATOM 946 N GLY B 79 -5.617 -7.652 -0.150 1.00 0.30 N ATOM 947 CA GLY B 79 -5.482 -6.257 -0.654 1.00 0.28 C ATOM 948 C GLY B 79 -4.369 -5.547 0.115 1.00 0.22 C ATOM 949 O GLY B 79 -3.514 -4.912 -0.467 1.00 0.23 O ATOM 0 H GLY B 79 -6.545 -7.904 0.190 1.00 0.30 H new ATOM 0 HA2 GLY B 79 -5.256 -6.264 -1.720 1.00 0.28 H new ATOM 0 HA3 GLY B 79 -6.423 -5.721 -0.531 1.00 0.28 H new ATOM 953 N VAL B 80 -4.359 -5.653 1.417 1.00 0.22 N ATOM 954 CA VAL B 80 -3.280 -4.982 2.193 1.00 0.23 C ATOM 955 C VAL B 80 -1.927 -5.491 1.692 1.00 0.22 C ATOM 956 O VAL B 80 -1.030 -4.722 1.399 1.00 0.23 O ATOM 957 CB VAL B 80 -3.446 -5.311 3.676 1.00 0.27 C ATOM 958 CG1 VAL B 80 -2.308 -4.671 4.474 1.00 0.33 C ATOM 959 CG2 VAL B 80 -4.788 -4.759 4.166 1.00 0.30 C ATOM 0 H VAL B 80 -5.043 -6.169 1.970 1.00 0.22 H new ATOM 0 HA VAL B 80 -3.335 -3.901 2.061 1.00 0.23 H new ATOM 0 HB VAL B 80 -3.420 -6.392 3.816 1.00 0.27 H new ATOM 0 HG11 VAL B 80 -2.428 -4.907 5.531 1.00 0.33 H new ATOM 0 HG12 VAL B 80 -1.353 -5.060 4.122 1.00 0.33 H new ATOM 0 HG13 VAL B 80 -2.332 -3.590 4.338 1.00 0.33 H new ATOM 0 HG21 VAL B 80 -4.912 -4.991 5.224 1.00 0.30 H new ATOM 0 HG22 VAL B 80 -4.810 -3.678 4.026 1.00 0.30 H new ATOM 0 HG23 VAL B 80 -5.598 -5.215 3.597 1.00 0.30 H new ATOM 969 N MET B 81 -1.783 -6.782 1.560 1.00 0.22 N ATOM 970 CA MET B 81 -0.502 -7.337 1.042 1.00 0.23 C ATOM 971 C MET B 81 -0.229 -6.733 -0.336 1.00 0.24 C ATOM 972 O MET B 81 0.858 -6.274 -0.630 1.00 0.25 O ATOM 973 CB MET B 81 -0.615 -8.859 0.924 1.00 0.26 C ATOM 974 CG MET B 81 -0.903 -9.458 2.302 1.00 0.32 C ATOM 975 SD MET B 81 -0.545 -11.232 2.276 1.00 1.15 S ATOM 976 CE MET B 81 -1.759 -11.694 1.015 1.00 1.83 C ATOM 0 H MET B 81 -2.496 -7.474 1.788 1.00 0.22 H new ATOM 0 HA MET B 81 0.314 -7.092 1.722 1.00 0.23 H new ATOM 0 HB2 MET B 81 -1.411 -9.122 0.228 1.00 0.26 H new ATOM 0 HB3 MET B 81 0.310 -9.273 0.522 1.00 0.26 H new ATOM 0 HG2 MET B 81 -0.294 -8.964 3.059 1.00 0.32 H new ATOM 0 HG3 MET B 81 -1.946 -9.291 2.572 1.00 0.32 H new ATOM 0 HE1 MET B 81 -1.649 -12.751 0.774 1.00 1.83 H new ATOM 0 HE2 MET B 81 -2.765 -11.510 1.393 1.00 1.83 H new ATOM 0 HE3 MET B 81 -1.595 -11.099 0.117 1.00 1.83 H new ATOM 986 N ALA B 82 -1.226 -6.732 -1.180 1.00 0.25 N ATOM 987 CA ALA B 82 -1.066 -6.163 -2.546 1.00 0.27 C ATOM 988 C ALA B 82 -0.614 -4.702 -2.451 1.00 0.26 C ATOM 989 O ALA B 82 0.288 -4.283 -3.149 1.00 0.27 O ATOM 990 CB ALA B 82 -2.390 -6.266 -3.318 1.00 0.31 C ATOM 0 H ALA B 82 -2.153 -7.105 -0.977 1.00 0.25 H new ATOM 0 HA ALA B 82 -0.306 -6.731 -3.083 1.00 0.27 H new ATOM 0 HB1 ALA B 82 -2.263 -5.847 -4.316 1.00 0.31 H new ATOM 0 HB2 ALA B 82 -2.684 -7.313 -3.398 1.00 0.31 H new ATOM 0 HB3 ALA B 82 -3.164 -5.712 -2.788 1.00 0.31 H new ATOM 996 N GLY B 83 -1.231 -3.912 -1.606 1.00 0.25 N ATOM 997 CA GLY B 83 -0.818 -2.486 -1.505 1.00 0.26 C ATOM 998 C GLY B 83 0.670 -2.414 -1.172 1.00 0.24 C ATOM 999 O GLY B 83 1.415 -1.682 -1.792 1.00 0.24 O ATOM 0 H GLY B 83 -1.994 -4.193 -0.990 1.00 0.25 H new ATOM 0 HA2 GLY B 83 -1.018 -1.970 -2.444 1.00 0.26 H new ATOM 0 HA3 GLY B 83 -1.400 -1.981 -0.734 1.00 0.26 H new ATOM 1003 N VAL B 84 1.120 -3.171 -0.208 1.00 0.22 N ATOM 1004 CA VAL B 84 2.572 -3.130 0.128 1.00 0.21 C ATOM 1005 C VAL B 84 3.384 -3.477 -1.125 1.00 0.21 C ATOM 1006 O VAL B 84 4.330 -2.797 -1.473 1.00 0.21 O ATOM 1007 CB VAL B 84 2.876 -4.145 1.231 1.00 0.23 C ATOM 1008 CG1 VAL B 84 4.363 -4.086 1.582 1.00 0.28 C ATOM 1009 CG2 VAL B 84 2.046 -3.812 2.473 1.00 0.31 C ATOM 0 H VAL B 84 0.555 -3.807 0.354 1.00 0.22 H new ATOM 0 HA VAL B 84 2.839 -2.133 0.478 1.00 0.21 H new ATOM 0 HB VAL B 84 2.624 -5.147 0.883 1.00 0.23 H new ATOM 0 HG11 VAL B 84 4.580 -4.809 2.368 1.00 0.28 H new ATOM 0 HG12 VAL B 84 4.955 -4.322 0.698 1.00 0.28 H new ATOM 0 HG13 VAL B 84 4.615 -3.084 1.931 1.00 0.28 H new ATOM 0 HG21 VAL B 84 2.262 -4.535 3.260 1.00 0.31 H new ATOM 0 HG22 VAL B 84 2.298 -2.810 2.821 1.00 0.31 H new ATOM 0 HG23 VAL B 84 0.986 -3.853 2.224 1.00 0.31 H new ATOM 1019 N ILE B 85 3.013 -4.527 -1.811 1.00 0.23 N ATOM 1020 CA ILE B 85 3.752 -4.916 -3.046 1.00 0.25 C ATOM 1021 C ILE B 85 3.747 -3.753 -4.044 1.00 0.26 C ATOM 1022 O ILE B 85 4.763 -3.408 -4.613 1.00 0.26 O ATOM 1023 CB ILE B 85 3.079 -6.134 -3.680 1.00 0.30 C ATOM 1024 CG1 ILE B 85 3.266 -7.349 -2.769 1.00 0.32 C ATOM 1025 CG2 ILE B 85 3.713 -6.417 -5.043 1.00 0.40 C ATOM 1026 CD1 ILE B 85 2.167 -8.375 -3.050 1.00 1.06 C ATOM 0 H ILE B 85 2.229 -5.132 -1.568 1.00 0.23 H new ATOM 0 HA ILE B 85 4.782 -5.161 -2.786 1.00 0.25 H new ATOM 0 HB ILE B 85 2.015 -5.935 -3.810 1.00 0.30 H new ATOM 0 HG12 ILE B 85 4.246 -7.795 -2.938 1.00 0.32 H new ATOM 0 HG13 ILE B 85 3.232 -7.041 -1.724 1.00 0.32 H new ATOM 0 HG21 ILE B 85 3.233 -7.285 -5.494 1.00 0.40 H new ATOM 0 HG22 ILE B 85 3.582 -5.551 -5.692 1.00 0.40 H new ATOM 0 HG23 ILE B 85 4.777 -6.616 -4.915 1.00 0.40 H new ATOM 0 HD11 ILE B 85 2.302 -9.240 -2.400 1.00 1.06 H new ATOM 0 HD12 ILE B 85 1.192 -7.926 -2.859 1.00 1.06 H new ATOM 0 HD13 ILE B 85 2.223 -8.692 -4.092 1.00 1.06 H new ATOM 1038 N GLY B 86 2.608 -3.152 -4.268 1.00 0.27 N ATOM 1039 CA GLY B 86 2.539 -2.021 -5.236 1.00 0.30 C ATOM 1040 C GLY B 86 3.519 -0.925 -4.820 1.00 0.27 C ATOM 1041 O GLY B 86 4.269 -0.414 -5.628 1.00 0.29 O ATOM 0 H GLY B 86 1.724 -3.396 -3.822 1.00 0.27 H new ATOM 0 HA2 GLY B 86 2.778 -2.374 -6.239 1.00 0.30 H new ATOM 0 HA3 GLY B 86 1.525 -1.621 -5.271 1.00 0.30 H new ATOM 1045 N THR B 87 3.524 -0.558 -3.568 1.00 0.24 N ATOM 1046 CA THR B 87 4.464 0.505 -3.117 1.00 0.24 C ATOM 1047 C THR B 87 5.895 0.084 -3.454 1.00 0.24 C ATOM 1048 O THR B 87 6.666 0.850 -3.998 1.00 0.28 O ATOM 1049 CB THR B 87 4.330 0.703 -1.605 1.00 0.25 C ATOM 1050 OG1 THR B 87 2.960 0.888 -1.273 1.00 0.32 O ATOM 1051 CG2 THR B 87 5.133 1.934 -1.180 1.00 0.28 C ATOM 0 H THR B 87 2.921 -0.946 -2.842 1.00 0.24 H new ATOM 0 HA THR B 87 4.228 1.441 -3.623 1.00 0.24 H new ATOM 0 HB THR B 87 4.713 -0.175 -1.085 1.00 0.25 H new ATOM 0 HG1 THR B 87 2.496 1.315 -2.023 1.00 0.32 H new ATOM 0 HG21 THR B 87 5.038 2.076 -0.103 1.00 0.28 H new ATOM 0 HG22 THR B 87 6.183 1.790 -1.436 1.00 0.28 H new ATOM 0 HG23 THR B 87 4.751 2.814 -1.697 1.00 0.28 H new ATOM 1059 N ILE B 88 6.255 -1.132 -3.143 1.00 0.23 N ATOM 1060 CA ILE B 88 7.634 -1.599 -3.458 1.00 0.29 C ATOM 1061 C ILE B 88 7.886 -1.445 -4.960 1.00 0.33 C ATOM 1062 O ILE B 88 8.904 -0.933 -5.382 1.00 0.40 O ATOM 1063 CB ILE B 88 7.779 -3.070 -3.061 1.00 0.33 C ATOM 1064 CG1 ILE B 88 7.815 -3.183 -1.535 1.00 0.34 C ATOM 1065 CG2 ILE B 88 9.077 -3.631 -3.643 1.00 0.40 C ATOM 1066 CD1 ILE B 88 7.609 -4.643 -1.126 1.00 0.41 C ATOM 0 H ILE B 88 5.656 -1.819 -2.686 1.00 0.23 H new ATOM 0 HA ILE B 88 8.359 -1.004 -2.903 1.00 0.29 H new ATOM 0 HB ILE B 88 6.933 -3.636 -3.450 1.00 0.33 H new ATOM 0 HG12 ILE B 88 8.770 -2.819 -1.155 1.00 0.34 H new ATOM 0 HG13 ILE B 88 7.038 -2.558 -1.095 1.00 0.34 H new ATOM 0 HG21 ILE B 88 9.180 -4.679 -3.360 1.00 0.40 H new ATOM 0 HG22 ILE B 88 9.054 -3.549 -4.730 1.00 0.40 H new ATOM 0 HG23 ILE B 88 9.924 -3.066 -3.255 1.00 0.40 H new ATOM 0 HD11 ILE B 88 7.635 -4.724 -0.039 1.00 0.41 H new ATOM 0 HD12 ILE B 88 6.643 -4.991 -1.493 1.00 0.41 H new ATOM 0 HD13 ILE B 88 8.402 -5.256 -1.554 1.00 0.41 H new ATOM 1078 N LEU B 89 6.958 -1.880 -5.769 1.00 0.33 N ATOM 1079 CA LEU B 89 7.128 -1.758 -7.242 1.00 0.41 C ATOM 1080 C LEU B 89 7.350 -0.281 -7.598 1.00 0.44 C ATOM 1081 O LEU B 89 8.235 0.059 -8.357 1.00 0.51 O ATOM 1082 CB LEU B 89 5.876 -2.336 -7.941 1.00 0.44 C ATOM 1083 CG LEU B 89 5.255 -1.330 -8.919 1.00 0.76 C ATOM 1084 CD1 LEU B 89 6.146 -1.197 -10.155 1.00 1.14 C ATOM 1085 CD2 LEU B 89 3.869 -1.824 -9.342 1.00 1.06 C ATOM 0 H LEU B 89 6.086 -2.316 -5.470 1.00 0.33 H new ATOM 0 HA LEU B 89 7.996 -2.322 -7.583 1.00 0.41 H new ATOM 0 HB2 LEU B 89 6.146 -3.245 -8.478 1.00 0.44 H new ATOM 0 HB3 LEU B 89 5.137 -2.617 -7.190 1.00 0.44 H new ATOM 0 HG LEU B 89 5.166 -0.359 -8.432 1.00 0.76 H new ATOM 0 HD11 LEU B 89 5.703 -0.482 -10.848 1.00 1.14 H new ATOM 0 HD12 LEU B 89 7.134 -0.847 -9.855 1.00 1.14 H new ATOM 0 HD13 LEU B 89 6.237 -2.167 -10.644 1.00 1.14 H new ATOM 0 HD21 LEU B 89 3.425 -1.111 -10.037 1.00 1.06 H new ATOM 0 HD22 LEU B 89 3.962 -2.795 -9.828 1.00 1.06 H new ATOM 0 HD23 LEU B 89 3.232 -1.918 -8.462 1.00 1.06 H new ATOM 1097 N LEU B 90 6.547 0.596 -7.058 1.00 0.40 N ATOM 1098 CA LEU B 90 6.711 2.046 -7.370 1.00 0.47 C ATOM 1099 C LEU B 90 8.131 2.489 -7.012 1.00 0.51 C ATOM 1100 O LEU B 90 8.797 3.148 -7.785 1.00 0.60 O ATOM 1101 CB LEU B 90 5.701 2.863 -6.558 1.00 0.47 C ATOM 1102 CG LEU B 90 5.698 4.311 -7.053 1.00 1.14 C ATOM 1103 CD1 LEU B 90 5.372 4.342 -8.547 1.00 2.02 C ATOM 1104 CD2 LEU B 90 4.640 5.109 -6.288 1.00 1.67 C ATOM 0 H LEU B 90 5.787 0.372 -6.416 1.00 0.40 H new ATOM 0 HA LEU B 90 6.537 2.209 -8.434 1.00 0.47 H new ATOM 0 HB2 LEU B 90 4.705 2.432 -6.657 1.00 0.47 H new ATOM 0 HB3 LEU B 90 5.958 2.830 -5.499 1.00 0.47 H new ATOM 0 HG LEU B 90 6.681 4.751 -6.886 1.00 1.14 H new ATOM 0 HD11 LEU B 90 5.370 5.374 -8.898 1.00 2.02 H new ATOM 0 HD12 LEU B 90 6.123 3.774 -9.095 1.00 2.02 H new ATOM 0 HD13 LEU B 90 4.390 3.900 -8.714 1.00 2.02 H new ATOM 0 HD21 LEU B 90 4.637 6.141 -6.640 1.00 1.67 H new ATOM 0 HD22 LEU B 90 3.658 4.666 -6.456 1.00 1.67 H new ATOM 0 HD23 LEU B 90 4.870 5.090 -5.223 1.00 1.67 H new ATOM 1116 N ILE B 91 8.603 2.133 -5.849 1.00 0.47 N ATOM 1117 CA ILE B 91 9.982 2.537 -5.455 1.00 0.57 C ATOM 1118 C ILE B 91 10.977 2.027 -6.493 1.00 0.65 C ATOM 1119 O ILE B 91 11.831 2.758 -6.953 1.00 0.77 O ATOM 1120 CB ILE B 91 10.318 1.942 -4.087 1.00 0.55 C ATOM 1121 CG1 ILE B 91 9.375 2.525 -3.033 1.00 0.51 C ATOM 1122 CG2 ILE B 91 11.763 2.283 -3.722 1.00 0.66 C ATOM 1123 CD1 ILE B 91 9.460 1.690 -1.754 1.00 0.54 C ATOM 0 H ILE B 91 8.096 1.582 -5.157 1.00 0.47 H new ATOM 0 HA ILE B 91 10.041 3.624 -5.400 1.00 0.57 H new ATOM 0 HB ILE B 91 10.199 0.859 -4.123 1.00 0.55 H new ATOM 0 HG12 ILE B 91 9.643 3.560 -2.822 1.00 0.51 H new ATOM 0 HG13 ILE B 91 8.352 2.531 -3.409 1.00 0.51 H new ATOM 0 HG21 ILE B 91 12.002 1.859 -2.747 1.00 0.66 H new ATOM 0 HG22 ILE B 91 12.436 1.868 -4.473 1.00 0.66 H new ATOM 0 HG23 ILE B 91 11.883 3.366 -3.686 1.00 0.66 H new ATOM 0 HD11 ILE B 91 8.788 2.105 -1.003 1.00 0.54 H new ATOM 0 HD12 ILE B 91 9.171 0.662 -1.971 1.00 0.54 H new ATOM 0 HD13 ILE B 91 10.482 1.707 -1.376 1.00 0.54 H new ATOM 1135 N SER B 92 10.875 0.785 -6.878 1.00 0.63 N ATOM 1136 CA SER B 92 11.824 0.264 -7.897 1.00 0.76 C ATOM 1137 C SER B 92 11.716 1.136 -9.144 1.00 0.83 C ATOM 1138 O SER B 92 12.704 1.579 -9.695 1.00 0.95 O ATOM 1139 CB SER B 92 11.464 -1.181 -8.247 1.00 0.74 C ATOM 1140 OG SER B 92 10.558 -1.688 -7.276 1.00 1.53 O ATOM 0 H SER B 92 10.185 0.117 -6.536 1.00 0.63 H new ATOM 0 HA SER B 92 12.842 0.288 -7.508 1.00 0.76 H new ATOM 0 HB2 SER B 92 11.014 -1.226 -9.239 1.00 0.74 H new ATOM 0 HB3 SER B 92 12.364 -1.795 -8.277 1.00 0.74 H new ATOM 0 HG SER B 92 10.324 -2.613 -7.498 1.00 1.53 H new ATOM 1146 N TYR B 93 10.516 1.400 -9.584 1.00 0.77 N ATOM 1147 CA TYR B 93 10.339 2.260 -10.783 1.00 0.87 C ATOM 1148 C TYR B 93 11.006 3.617 -10.536 1.00 0.94 C ATOM 1149 O TYR B 93 11.743 4.115 -11.363 1.00 1.07 O ATOM 1150 CB TYR B 93 8.847 2.464 -11.048 1.00 0.83 C ATOM 1151 CG TYR B 93 8.486 1.867 -12.387 1.00 1.09 C ATOM 1152 CD1 TYR B 93 8.511 0.479 -12.565 1.00 1.68 C ATOM 1153 CD2 TYR B 93 8.126 2.703 -13.450 1.00 1.74 C ATOM 1154 CE1 TYR B 93 8.176 -0.074 -13.807 1.00 2.03 C ATOM 1155 CE2 TYR B 93 7.791 2.151 -14.692 1.00 1.99 C ATOM 1156 CZ TYR B 93 7.815 0.762 -14.871 1.00 1.84 C ATOM 1157 OH TYR B 93 7.484 0.218 -16.096 1.00 2.25 O ATOM 0 H TYR B 93 9.652 1.056 -9.164 1.00 0.77 H new ATOM 0 HA TYR B 93 10.798 1.781 -11.648 1.00 0.87 H new ATOM 0 HB2 TYR B 93 8.259 1.995 -10.259 1.00 0.83 H new ATOM 0 HB3 TYR B 93 8.607 3.527 -11.035 1.00 0.83 H new ATOM 0 HD1 TYR B 93 8.789 -0.166 -11.744 1.00 1.68 H new ATOM 0 HD2 TYR B 93 8.107 3.774 -13.312 1.00 1.74 H new ATOM 0 HE1 TYR B 93 8.196 -1.145 -13.944 1.00 2.03 H new ATOM 0 HE2 TYR B 93 7.514 2.796 -15.512 1.00 1.99 H new ATOM 0 HH TYR B 93 7.258 0.937 -16.723 1.00 2.25 H new ATOM 1167 N GLY B 94 10.757 4.217 -9.399 1.00 0.88 N ATOM 1168 CA GLY B 94 11.383 5.536 -9.102 1.00 0.98 C ATOM 1169 C GLY B 94 12.902 5.403 -9.187 1.00 1.10 C ATOM 1170 O GLY B 94 13.572 6.202 -9.810 1.00 1.24 O ATOM 0 H GLY B 94 10.149 3.850 -8.667 1.00 0.88 H new ATOM 0 HA2 GLY B 94 11.032 6.286 -9.810 1.00 0.98 H new ATOM 0 HA3 GLY B 94 11.091 5.875 -8.108 1.00 0.98 H new ATOM 1174 N ILE B 95 13.451 4.391 -8.571 1.00 1.07 N ATOM 1175 CA ILE B 95 14.929 4.206 -8.630 1.00 1.22 C ATOM 1176 C ILE B 95 15.358 4.110 -10.098 1.00 1.34 C ATOM 1177 O ILE B 95 16.299 4.748 -10.521 1.00 1.50 O ATOM 1178 CB ILE B 95 15.322 2.927 -7.875 1.00 1.20 C ATOM 1179 CG1 ILE B 95 15.391 3.228 -6.375 1.00 1.37 C ATOM 1180 CG2 ILE B 95 16.694 2.436 -8.349 1.00 1.50 C ATOM 1181 CD1 ILE B 95 14.079 2.815 -5.708 1.00 1.81 C ATOM 0 H ILE B 95 12.944 3.689 -8.033 1.00 1.07 H new ATOM 0 HA ILE B 95 15.430 5.053 -8.161 1.00 1.22 H new ATOM 0 HB ILE B 95 14.577 2.156 -8.070 1.00 1.20 H new ATOM 0 HG12 ILE B 95 16.225 2.690 -5.924 1.00 1.37 H new ATOM 0 HG13 ILE B 95 15.573 4.291 -6.215 1.00 1.37 H new ATOM 0 HG21 ILE B 95 16.963 1.529 -7.807 1.00 1.50 H new ATOM 0 HG22 ILE B 95 16.655 2.223 -9.417 1.00 1.50 H new ATOM 0 HG23 ILE B 95 17.441 3.207 -8.160 1.00 1.50 H new ATOM 0 HD11 ILE B 95 14.130 3.030 -4.641 1.00 1.81 H new ATOM 0 HD12 ILE B 95 13.254 3.373 -6.151 1.00 1.81 H new ATOM 0 HD13 ILE B 95 13.916 1.747 -5.856 1.00 1.81 H new ATOM 1193 N ARG B 96 14.671 3.317 -10.875 1.00 1.29 N ATOM 1194 CA ARG B 96 15.035 3.181 -12.317 1.00 1.42 C ATOM 1195 C ARG B 96 15.001 4.554 -12.987 1.00 1.52 C ATOM 1196 O ARG B 96 15.911 4.922 -13.703 1.00 1.68 O ATOM 1197 CB ARG B 96 14.048 2.243 -13.019 1.00 1.36 C ATOM 1198 CG ARG B 96 14.642 1.782 -14.351 1.00 1.61 C ATOM 1199 CD ARG B 96 13.927 2.490 -15.503 1.00 1.77 C ATOM 1200 NE ARG B 96 12.453 2.348 -15.336 1.00 1.70 N ATOM 1201 CZ ARG B 96 11.643 3.112 -16.017 1.00 2.10 C ATOM 1202 NH1 ARG B 96 11.738 3.168 -17.318 1.00 2.69 N ATOM 1203 NH2 ARG B 96 10.737 3.818 -15.399 1.00 2.54 N ATOM 0 H ARG B 96 13.873 2.757 -10.575 1.00 1.29 H new ATOM 0 HA ARG B 96 16.039 2.765 -12.393 1.00 1.42 H new ATOM 0 HB2 ARG B 96 13.835 1.382 -12.386 1.00 1.36 H new ATOM 0 HB3 ARG B 96 13.101 2.755 -13.189 1.00 1.36 H new ATOM 0 HG2 ARG B 96 15.709 2.003 -14.381 1.00 1.61 H new ATOM 0 HG3 ARG B 96 14.537 0.702 -14.453 1.00 1.61 H new ATOM 0 HD2 ARG B 96 14.202 3.545 -15.522 1.00 1.77 H new ATOM 0 HD3 ARG B 96 14.239 2.062 -16.456 1.00 1.77 H new ATOM 0 HE ARG B 96 12.077 1.654 -14.690 1.00 1.70 H new ATOM 0 HH11 ARG B 96 12.445 2.615 -17.802 1.00 2.69 H new ATOM 0 HH12 ARG B 96 11.105 3.765 -17.850 1.00 2.69 H new ATOM 0 HH21 ARG B 96 10.661 3.773 -14.383 1.00 2.54 H new ATOM 0 HH22 ARG B 96 10.104 4.415 -15.932 1.00 2.54 H new ATOM 1217 N ARG B 97 13.968 5.322 -12.764 1.00 1.43 N ATOM 1218 CA ARG B 97 13.913 6.667 -13.399 1.00 1.55 C ATOM 1219 C ARG B 97 15.167 7.429 -12.984 1.00 1.67 C ATOM 1220 O ARG B 97 15.864 7.995 -13.801 1.00 1.83 O ATOM 1221 CB ARG B 97 12.668 7.416 -12.918 1.00 1.45 C ATOM 1222 CG ARG B 97 12.525 8.725 -13.696 1.00 1.62 C ATOM 1223 CD ARG B 97 11.041 9.053 -13.877 1.00 1.72 C ATOM 1224 NE ARG B 97 10.895 10.275 -14.719 1.00 2.17 N ATOM 1225 CZ ARG B 97 11.750 11.256 -14.606 1.00 2.50 C ATOM 1226 NH1 ARG B 97 11.617 12.130 -13.647 1.00 2.89 N ATOM 1227 NH2 ARG B 97 12.738 11.361 -15.453 1.00 3.17 N ATOM 0 H ARG B 97 13.170 5.079 -12.177 1.00 1.43 H new ATOM 0 HA ARG B 97 13.864 6.576 -14.484 1.00 1.55 H new ATOM 0 HB2 ARG B 97 11.782 6.798 -13.060 1.00 1.45 H new ATOM 0 HB3 ARG B 97 12.745 7.622 -11.850 1.00 1.45 H new ATOM 0 HG2 ARG B 97 13.024 9.534 -13.162 1.00 1.62 H new ATOM 0 HG3 ARG B 97 13.010 8.637 -14.668 1.00 1.62 H new ATOM 0 HD2 ARG B 97 10.528 8.213 -14.346 1.00 1.72 H new ATOM 0 HD3 ARG B 97 10.573 9.211 -12.906 1.00 1.72 H new ATOM 0 HE ARG B 97 10.126 10.345 -15.385 1.00 2.17 H new ATOM 0 HH11 ARG B 97 10.845 12.047 -12.985 1.00 2.89 H new ATOM 0 HH12 ARG B 97 12.285 12.896 -13.559 1.00 2.89 H new ATOM 0 HH21 ARG B 97 12.842 10.677 -16.203 1.00 3.17 H new ATOM 0 HH22 ARG B 97 13.406 12.127 -15.365 1.00 3.17 H new ATOM 1241 N LEU B 98 15.481 7.407 -11.720 1.00 1.62 N ATOM 1242 CA LEU B 98 16.716 8.085 -11.250 1.00 1.76 C ATOM 1243 C LEU B 98 17.897 7.489 -12.015 1.00 1.92 C ATOM 1244 O LEU B 98 18.751 8.197 -12.506 1.00 2.09 O ATOM 1245 CB LEU B 98 16.898 7.840 -9.751 1.00 1.69 C ATOM 1246 CG LEU B 98 16.368 9.040 -8.967 1.00 1.72 C ATOM 1247 CD1 LEU B 98 16.090 8.622 -7.522 1.00 1.72 C ATOM 1248 CD2 LEU B 98 17.412 10.158 -8.983 1.00 2.01 C ATOM 0 H LEU B 98 14.934 6.948 -10.992 1.00 1.62 H new ATOM 0 HA LEU B 98 16.652 9.159 -11.424 1.00 1.76 H new ATOM 0 HB2 LEU B 98 16.368 6.935 -9.453 1.00 1.69 H new ATOM 0 HB3 LEU B 98 17.952 7.681 -9.524 1.00 1.69 H new ATOM 0 HG LEU B 98 15.446 9.397 -9.425 1.00 1.72 H new ATOM 0 HD11 LEU B 98 15.712 9.477 -6.962 1.00 1.72 H new ATOM 0 HD12 LEU B 98 15.348 7.824 -7.510 1.00 1.72 H new ATOM 0 HD13 LEU B 98 17.012 8.266 -7.062 1.00 1.72 H new ATOM 0 HD21 LEU B 98 17.036 11.015 -8.424 1.00 2.01 H new ATOM 0 HD22 LEU B 98 18.334 9.802 -8.524 1.00 2.01 H new ATOM 0 HD23 LEU B 98 17.611 10.455 -10.013 1.00 2.01 H new ATOM 1260 N ILE B 99 17.929 6.178 -12.097 1.00 1.89 N ATOM 1261 CA ILE B 99 19.020 5.443 -12.807 1.00 2.07 C ATOM 1262 C ILE B 99 20.097 5.043 -11.803 1.00 2.17 C ATOM 1263 O ILE B 99 20.907 5.844 -11.381 1.00 2.50 O ATOM 1264 CB ILE B 99 19.623 6.296 -13.923 1.00 2.14 C ATOM 1265 CG1 ILE B 99 18.495 6.790 -14.831 1.00 2.13 C ATOM 1266 CG2 ILE B 99 20.596 5.445 -14.740 1.00 2.25 C ATOM 1267 CD1 ILE B 99 18.641 8.295 -15.066 1.00 2.38 C ATOM 0 H ILE B 99 17.219 5.571 -11.687 1.00 1.89 H new ATOM 0 HA ILE B 99 18.599 4.548 -13.265 1.00 2.07 H new ATOM 0 HB ILE B 99 20.155 7.146 -13.496 1.00 2.14 H new ATOM 0 HG12 ILE B 99 18.523 6.260 -15.783 1.00 2.13 H new ATOM 0 HG13 ILE B 99 17.528 6.576 -14.375 1.00 2.13 H new ATOM 0 HG21 ILE B 99 21.028 6.050 -15.537 1.00 2.25 H new ATOM 0 HG22 ILE B 99 21.391 5.078 -14.091 1.00 2.25 H new ATOM 0 HG23 ILE B 99 20.063 4.599 -15.175 1.00 2.25 H new ATOM 0 HD11 ILE B 99 17.835 8.642 -15.713 1.00 2.38 H new ATOM 0 HD12 ILE B 99 18.591 8.819 -14.111 1.00 2.38 H new ATOM 0 HD13 ILE B 99 19.601 8.498 -15.541 1.00 2.38 H new ATOM 1279 N LYS B 100 20.097 3.798 -11.411 1.00 2.25 N ATOM 1280 CA LYS B 100 21.101 3.316 -10.424 1.00 2.60 C ATOM 1281 C LYS B 100 22.391 2.928 -11.150 1.00 2.97 C ATOM 1282 O LYS B 100 22.382 2.127 -12.063 1.00 3.27 O ATOM 1283 CB LYS B 100 20.538 2.096 -9.689 1.00 2.80 C ATOM 1284 CG LYS B 100 21.085 2.059 -8.261 1.00 3.38 C ATOM 1285 CD LYS B 100 20.694 0.736 -7.597 1.00 3.94 C ATOM 1286 CE LYS B 100 21.956 0.004 -7.134 1.00 4.56 C ATOM 1287 NZ LYS B 100 21.605 -1.390 -6.740 1.00 5.22 N ATOM 0 H LYS B 100 19.439 3.090 -11.736 1.00 2.25 H new ATOM 0 HA LYS B 100 21.318 4.108 -9.707 1.00 2.60 H new ATOM 0 HB2 LYS B 100 19.449 2.140 -9.671 1.00 2.80 H new ATOM 0 HB3 LYS B 100 20.811 1.183 -10.217 1.00 2.80 H new ATOM 0 HG2 LYS B 100 22.170 2.165 -8.273 1.00 3.38 H new ATOM 0 HG3 LYS B 100 20.689 2.897 -7.687 1.00 3.38 H new ATOM 0 HD2 LYS B 100 20.037 0.923 -6.747 1.00 3.94 H new ATOM 0 HD3 LYS B 100 20.138 0.115 -8.299 1.00 3.94 H new ATOM 0 HE2 LYS B 100 22.696 -0.008 -7.934 1.00 4.56 H new ATOM 0 HE3 LYS B 100 22.406 0.529 -6.291 1.00 4.56 H new ATOM 0 HZ1 LYS B 100 22.462 -1.888 -6.425 1.00 5.22 H new ATOM 0 HZ2 LYS B 100 20.913 -1.368 -5.964 1.00 5.22 H new ATOM 0 HZ3 LYS B 100 21.195 -1.888 -7.555 1.00 5.22 H new ATOM 1301 N LYS B 101 23.498 3.496 -10.753 1.00 3.27 N ATOM 1302 CA LYS B 101 24.792 3.166 -11.420 1.00 3.83 C ATOM 1303 C LYS B 101 24.748 3.638 -12.875 1.00 4.00 C ATOM 1304 O LYS B 101 25.393 3.011 -13.699 1.00 4.36 O ATOM 1305 CB LYS B 101 25.029 1.650 -11.385 1.00 4.43 C ATOM 1306 CG LYS B 101 25.138 1.167 -9.935 1.00 5.03 C ATOM 1307 CD LYS B 101 26.412 1.728 -9.298 1.00 5.77 C ATOM 1308 CE LYS B 101 26.203 1.892 -7.791 1.00 6.68 C ATOM 1309 NZ LYS B 101 26.255 0.555 -7.134 1.00 7.38 N ATOM 1310 OXT LYS B 101 24.071 4.618 -13.139 1.00 4.28 O ATOM 0 H LYS B 101 23.563 4.175 -9.995 1.00 3.27 H new ATOM 0 HA LYS B 101 25.604 3.668 -10.893 1.00 3.83 H new ATOM 0 HB2 LYS B 101 24.211 1.135 -11.888 1.00 4.43 H new ATOM 0 HB3 LYS B 101 25.942 1.404 -11.928 1.00 4.43 H new ATOM 0 HG2 LYS B 101 24.264 1.489 -9.368 1.00 5.03 H new ATOM 0 HG3 LYS B 101 25.154 0.078 -9.905 1.00 5.03 H new ATOM 0 HD2 LYS B 101 27.251 1.059 -9.488 1.00 5.77 H new ATOM 0 HD3 LYS B 101 26.663 2.689 -9.747 1.00 5.77 H new ATOM 0 HE2 LYS B 101 26.972 2.544 -7.375 1.00 6.68 H new ATOM 0 HE3 LYS B 101 25.242 2.368 -7.596 1.00 6.68 H new ATOM 0 HZ1 LYS B 101 26.113 0.666 -6.110 1.00 7.38 H new ATOM 0 HZ2 LYS B 101 25.506 -0.053 -7.524 1.00 7.38 H new ATOM 0 HZ3 LYS B 101 27.182 0.118 -7.310 1.00 7.38 H new TER 1324 LYS B 101