USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=15 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 Set 1.1: A 63 GLN : amide:sc= -4.51 K(o=-4.9,f=-13!) USER MOD Set 1.2: A 66 HIS : no HD1:sc= -0.351 X(o=-4.9,f=-4.9) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.917 F(o=-1.9,f=-0.92) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 54:sc= -3.3! USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 77:sc= -3.04! USER MOD Single : A 92 SER OG : rot 82:sc= -0.437 USER MOD Single : A 93 TYR OH : rot 130:sc= -0.719 USER MOD Single : A 100 LYS NZ :NH3+ 153:sc=-0.00238 (180deg=-0.775) USER MOD Single : A 101 LYS NZ :NH3+ 146:sc= -0.075 (180deg=-0.714) USER MOD Single : B 63 GLN :FLIP amide:sc= -2.58! C(o=-3.4!,f=-2.6!) USER MOD Single : B 66 HIS : no HD1:sc= -0.471 X(o=-0.47,f=-0.34) USER MOD Single : B 67 HIS : no HD1:sc= -0.608 X(o=-0.61,f=-0.31) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 74 THR OG1 : rot 79:sc= 1.12 USER MOD Single : B 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 THR OG1 : rot 79:sc= 0.0671 USER MOD Single : B 92 SER OG : rot -45:sc= 0.537 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+ -147:sc= -1.38 (180deg=-3.67!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 62 -22.045 -9.426 18.616 1.00 18.74 N ATOM 2 CA VAL A 62 -22.883 -8.204 18.464 1.00 18.11 C ATOM 3 C VAL A 62 -23.754 -8.337 17.212 1.00 17.30 C ATOM 4 O VAL A 62 -24.950 -8.126 17.250 1.00 17.26 O ATOM 5 CB VAL A 62 -21.978 -6.979 18.323 1.00 18.42 C ATOM 6 CG1 VAL A 62 -22.818 -5.766 17.919 1.00 18.58 C ATOM 7 CG2 VAL A 62 -21.292 -6.698 19.662 1.00 18.59 C ATOM 0 HA VAL A 62 -23.519 -8.088 19.342 1.00 18.11 H new ATOM 0 HB VAL A 62 -21.225 -7.170 17.559 1.00 18.42 H new ATOM 0 HG11 VAL A 62 -22.172 -4.893 17.819 1.00 18.58 H new ATOM 0 HG12 VAL A 62 -23.310 -5.965 16.967 1.00 18.58 H new ATOM 0 HG13 VAL A 62 -23.571 -5.574 18.683 1.00 18.58 H new ATOM 0 HG21 VAL A 62 -20.646 -5.825 19.564 1.00 18.59 H new ATOM 0 HG22 VAL A 62 -22.047 -6.507 20.425 1.00 18.59 H new ATOM 0 HG23 VAL A 62 -20.693 -7.561 19.952 1.00 18.59 H new ATOM 19 N GLN A 63 -23.162 -8.686 16.102 1.00 16.78 N ATOM 20 CA GLN A 63 -23.956 -8.831 14.849 1.00 16.11 C ATOM 21 C GLN A 63 -23.971 -10.299 14.420 1.00 15.69 C ATOM 22 O GLN A 63 -22.940 -10.899 14.187 1.00 15.68 O ATOM 23 CB GLN A 63 -23.321 -7.982 13.746 1.00 16.10 C ATOM 24 CG GLN A 63 -21.901 -8.483 13.470 1.00 15.49 C ATOM 25 CD GLN A 63 -21.896 -9.325 12.193 1.00 15.09 C ATOM 26 OE1 GLN A 63 -22.450 -8.927 11.187 1.00 15.39 O ATOM 27 NE2 GLN A 63 -21.289 -10.480 12.190 1.00 14.56 N ATOM 0 H GLN A 63 -22.164 -8.877 16.009 1.00 16.78 H new ATOM 0 HA GLN A 63 -24.978 -8.496 15.024 1.00 16.11 H new ATOM 0 HB2 GLN A 63 -23.921 -8.039 12.838 1.00 16.10 H new ATOM 0 HB3 GLN A 63 -23.297 -6.935 14.047 1.00 16.10 H new ATOM 0 HG2 GLN A 63 -21.220 -7.638 13.364 1.00 15.49 H new ATOM 0 HG3 GLN A 63 -21.544 -9.077 14.311 1.00 15.49 H new ATOM 0 HE21 GLN A 63 -20.824 -10.814 13.034 1.00 14.56 H new ATOM 0 HE22 GLN A 63 -21.279 -11.049 11.343 1.00 14.56 H new ATOM 36 N LEU A 64 -25.133 -10.883 14.310 1.00 15.49 N ATOM 37 CA LEU A 64 -25.215 -12.312 13.893 1.00 15.26 C ATOM 38 C LEU A 64 -25.903 -12.405 12.529 1.00 14.77 C ATOM 39 O LEU A 64 -26.292 -11.410 11.950 1.00 14.94 O ATOM 40 CB LEU A 64 -26.022 -13.100 14.927 1.00 15.58 C ATOM 41 CG LEU A 64 -25.175 -13.313 16.182 1.00 15.97 C ATOM 42 CD1 LEU A 64 -26.052 -13.151 17.425 1.00 16.71 C ATOM 43 CD2 LEU A 64 -24.578 -14.722 16.162 1.00 16.05 C ATOM 0 H LEU A 64 -26.030 -10.432 14.491 1.00 15.49 H new ATOM 0 HA LEU A 64 -24.210 -12.729 13.823 1.00 15.26 H new ATOM 0 HB2 LEU A 64 -26.935 -12.561 15.179 1.00 15.58 H new ATOM 0 HB3 LEU A 64 -26.324 -14.062 14.512 1.00 15.58 H new ATOM 0 HG LEU A 64 -24.372 -12.577 16.205 1.00 15.97 H new ATOM 0 HD11 LEU A 64 -25.447 -13.303 18.319 1.00 16.71 H new ATOM 0 HD12 LEU A 64 -26.478 -12.148 17.441 1.00 16.71 H new ATOM 0 HD13 LEU A 64 -26.856 -13.887 17.401 1.00 16.71 H new ATOM 0 HD21 LEU A 64 -23.974 -14.874 17.057 1.00 16.05 H new ATOM 0 HD22 LEU A 64 -25.382 -15.458 16.138 1.00 16.05 H new ATOM 0 HD23 LEU A 64 -23.952 -14.839 15.277 1.00 16.05 H new ATOM 55 N ALA A 65 -26.058 -13.593 12.012 1.00 14.32 N ATOM 56 CA ALA A 65 -26.720 -13.749 10.686 1.00 14.03 C ATOM 57 C ALA A 65 -25.843 -13.121 9.602 1.00 13.34 C ATOM 58 O ALA A 65 -26.284 -12.881 8.496 1.00 13.29 O ATOM 59 CB ALA A 65 -28.081 -13.050 10.708 1.00 14.31 C ATOM 0 H ALA A 65 -25.755 -14.463 12.451 1.00 14.32 H new ATOM 0 HA ALA A 65 -26.860 -14.809 10.473 1.00 14.03 H new ATOM 0 HB1 ALA A 65 -28.565 -13.164 9.738 1.00 14.31 H new ATOM 0 HB2 ALA A 65 -28.707 -13.497 11.480 1.00 14.31 H new ATOM 0 HB3 ALA A 65 -27.942 -11.990 10.921 1.00 14.31 H new ATOM 65 N HIS A 66 -24.603 -12.854 9.909 1.00 12.98 N ATOM 66 CA HIS A 66 -23.701 -12.242 8.893 1.00 12.48 C ATOM 67 C HIS A 66 -22.586 -13.227 8.538 1.00 11.62 C ATOM 68 O HIS A 66 -22.426 -14.253 9.170 1.00 11.76 O ATOM 69 CB HIS A 66 -23.088 -10.961 9.460 1.00 12.81 C ATOM 70 CG HIS A 66 -23.548 -9.785 8.644 1.00 13.36 C ATOM 71 ND1 HIS A 66 -24.677 -9.052 8.973 1.00 13.57 N ATOM 72 CD2 HIS A 66 -23.041 -9.201 7.509 1.00 13.93 C ATOM 73 CE1 HIS A 66 -24.814 -8.080 8.053 1.00 14.23 C ATOM 74 NE2 HIS A 66 -23.843 -8.125 7.138 1.00 14.47 N ATOM 0 H HIS A 66 -24.176 -13.033 10.818 1.00 12.98 H new ATOM 0 HA HIS A 66 -24.274 -12.005 7.997 1.00 12.48 H new ATOM 0 HB2 HIS A 66 -23.383 -10.833 10.501 1.00 12.81 H new ATOM 0 HB3 HIS A 66 -22.000 -11.027 9.443 1.00 12.81 H new ATOM 0 HD2 HIS A 66 -22.155 -9.527 6.984 1.00 13.93 H new ATOM 0 HE1 HIS A 66 -25.612 -7.352 8.055 1.00 14.23 H new ATOM 0 HE2 HIS A 66 -23.716 -7.504 6.339 1.00 14.47 H new ATOM 82 N HIS A 67 -21.812 -12.923 7.533 1.00 10.90 N ATOM 83 CA HIS A 67 -20.707 -13.841 7.139 1.00 10.21 C ATOM 84 C HIS A 67 -19.815 -13.152 6.105 1.00 9.43 C ATOM 85 O HIS A 67 -18.797 -12.577 6.435 1.00 9.32 O ATOM 86 CB HIS A 67 -21.297 -15.118 6.537 1.00 10.37 C ATOM 87 CG HIS A 67 -21.076 -16.265 7.484 1.00 10.53 C ATOM 88 ND1 HIS A 67 -20.615 -16.310 8.777 1.00 10.58 N flip ATOM 89 CD2 HIS A 67 -21.340 -17.579 7.130 1.00 10.88 C flip ATOM 90 CE1 HIS A 67 -20.593 -17.629 9.221 1.00 10.97 C flip ATOM 91 NE2 HIS A 67 -21.039 -18.352 8.190 1.00 11.15 N flip ATOM 0 H HIS A 67 -21.897 -12.078 6.968 1.00 10.90 H new ATOM 0 HA HIS A 67 -20.113 -14.094 8.017 1.00 10.21 H new ATOM 0 HB2 HIS A 67 -22.363 -14.986 6.350 1.00 10.37 H new ATOM 0 HB3 HIS A 67 -20.829 -15.330 5.576 1.00 10.37 H new ATOM 0 HD2 HIS A 67 -21.718 -17.920 6.178 1.00 10.88 H new ATOM 0 HE1 HIS A 67 -20.282 -17.990 10.190 1.00 10.97 H new ATOM 0 HE2 HIS A 67 -21.139 -19.367 8.204 1.00 11.15 H new ATOM 99 N PHE A 68 -20.185 -13.204 4.854 1.00 9.11 N ATOM 100 CA PHE A 68 -19.353 -12.550 3.805 1.00 8.55 C ATOM 101 C PHE A 68 -19.630 -11.045 3.803 1.00 7.46 C ATOM 102 O PHE A 68 -20.674 -10.595 4.233 1.00 7.39 O ATOM 103 CB PHE A 68 -19.706 -13.132 2.434 1.00 8.98 C ATOM 104 CG PHE A 68 -19.353 -14.600 2.401 1.00 9.76 C ATOM 105 CD1 PHE A 68 -18.019 -15.003 2.535 1.00 10.29 C ATOM 106 CD2 PHE A 68 -20.361 -15.557 2.234 1.00 10.19 C ATOM 107 CE1 PHE A 68 -17.693 -16.364 2.502 1.00 11.19 C ATOM 108 CE2 PHE A 68 -20.035 -16.918 2.202 1.00 11.10 C ATOM 109 CZ PHE A 68 -18.701 -17.322 2.335 1.00 11.57 C ATOM 0 H PHE A 68 -21.026 -13.670 4.514 1.00 9.11 H new ATOM 0 HA PHE A 68 -18.298 -12.729 4.015 1.00 8.55 H new ATOM 0 HB2 PHE A 68 -20.769 -12.999 2.234 1.00 8.98 H new ATOM 0 HB3 PHE A 68 -19.165 -12.600 1.651 1.00 8.98 H new ATOM 0 HD1 PHE A 68 -17.242 -14.264 2.664 1.00 10.29 H new ATOM 0 HD2 PHE A 68 -21.390 -15.245 2.130 1.00 10.19 H new ATOM 0 HE1 PHE A 68 -16.664 -16.675 2.605 1.00 11.19 H new ATOM 0 HE2 PHE A 68 -20.813 -17.657 2.075 1.00 11.10 H new ATOM 0 HZ PHE A 68 -18.449 -18.372 2.309 1.00 11.57 H new ATOM 119 N SER A 69 -18.705 -10.262 3.319 1.00 6.86 N ATOM 120 CA SER A 69 -18.920 -8.788 3.287 1.00 6.01 C ATOM 121 C SER A 69 -19.170 -8.345 1.845 1.00 5.07 C ATOM 122 O SER A 69 -18.260 -8.262 1.044 1.00 5.28 O ATOM 123 CB SER A 69 -17.680 -8.078 3.832 1.00 6.54 C ATOM 124 OG SER A 69 -18.070 -6.855 4.441 1.00 7.08 O ATOM 0 H SER A 69 -17.811 -10.579 2.945 1.00 6.86 H new ATOM 0 HA SER A 69 -19.782 -8.532 3.903 1.00 6.01 H new ATOM 0 HB2 SER A 69 -17.172 -8.713 4.558 1.00 6.54 H new ATOM 0 HB3 SER A 69 -16.972 -7.887 3.025 1.00 6.54 H new ATOM 0 HG SER A 69 -17.278 -6.398 4.793 1.00 7.08 H new ATOM 130 N GLU A 70 -20.398 -8.058 1.508 1.00 4.41 N ATOM 131 CA GLU A 70 -20.703 -7.621 0.118 1.00 3.84 C ATOM 132 C GLU A 70 -19.654 -6.603 -0.346 1.00 2.84 C ATOM 133 O GLU A 70 -19.038 -6.785 -1.377 1.00 3.00 O ATOM 134 CB GLU A 70 -22.096 -6.989 0.075 1.00 4.55 C ATOM 135 CG GLU A 70 -23.085 -7.978 -0.544 1.00 5.41 C ATOM 136 CD GLU A 70 -23.613 -7.415 -1.863 1.00 6.00 C ATOM 137 OE1 GLU A 70 -22.816 -6.885 -2.620 1.00 6.49 O ATOM 138 OE2 GLU A 70 -24.806 -7.521 -2.095 1.00 6.28 O ATOM 0 H GLU A 70 -21.201 -8.107 2.135 1.00 4.41 H new ATOM 0 HA GLU A 70 -20.679 -8.484 -0.547 1.00 3.84 H new ATOM 0 HB2 GLU A 70 -22.416 -6.720 1.082 1.00 4.55 H new ATOM 0 HB3 GLU A 70 -22.072 -6.069 -0.509 1.00 4.55 H new ATOM 0 HG2 GLU A 70 -22.597 -8.937 -0.716 1.00 5.41 H new ATOM 0 HG3 GLU A 70 -23.912 -8.160 0.143 1.00 5.41 H new ATOM 145 N PRO A 71 -19.478 -5.559 0.428 1.00 2.18 N ATOM 146 CA PRO A 71 -18.499 -4.502 0.108 1.00 1.51 C ATOM 147 C PRO A 71 -17.076 -5.075 0.116 1.00 1.23 C ATOM 148 O PRO A 71 -16.217 -4.617 0.846 1.00 1.13 O ATOM 149 CB PRO A 71 -18.667 -3.461 1.224 1.00 1.87 C ATOM 150 CG PRO A 71 -19.748 -3.986 2.201 1.00 2.49 C ATOM 151 CD PRO A 71 -20.236 -5.344 1.676 1.00 2.65 C ATOM 0 HA PRO A 71 -18.660 -4.073 -0.881 1.00 1.51 H new ATOM 0 HB2 PRO A 71 -17.723 -3.305 1.746 1.00 1.87 H new ATOM 0 HB3 PRO A 71 -18.964 -2.498 0.807 1.00 1.87 H new ATOM 0 HG2 PRO A 71 -19.337 -4.090 3.205 1.00 2.49 H new ATOM 0 HG3 PRO A 71 -20.577 -3.282 2.267 1.00 2.49 H new ATOM 0 HD2 PRO A 71 -20.045 -6.139 2.397 1.00 2.65 H new ATOM 0 HD3 PRO A 71 -21.310 -5.334 1.490 1.00 2.65 H new ATOM 159 N GLU A 72 -16.821 -6.071 -0.688 1.00 1.29 N ATOM 160 CA GLU A 72 -15.458 -6.671 -0.724 1.00 1.13 C ATOM 161 C GLU A 72 -14.459 -5.651 -1.273 1.00 1.00 C ATOM 162 O GLU A 72 -13.411 -5.428 -0.704 1.00 0.97 O ATOM 163 CB GLU A 72 -15.470 -7.906 -1.626 1.00 1.32 C ATOM 164 CG GLU A 72 -16.245 -9.034 -0.941 1.00 1.94 C ATOM 165 CD GLU A 72 -15.528 -10.363 -1.178 1.00 2.47 C ATOM 166 OE1 GLU A 72 -14.470 -10.343 -1.787 1.00 3.01 O ATOM 167 OE2 GLU A 72 -16.048 -11.379 -0.748 1.00 2.89 O ATOM 0 H GLU A 72 -17.498 -6.495 -1.322 1.00 1.29 H new ATOM 0 HA GLU A 72 -15.163 -6.957 0.286 1.00 1.13 H new ATOM 0 HB2 GLU A 72 -15.930 -7.665 -2.584 1.00 1.32 H new ATOM 0 HB3 GLU A 72 -14.449 -8.227 -1.834 1.00 1.32 H new ATOM 0 HG2 GLU A 72 -16.325 -8.837 0.128 1.00 1.94 H new ATOM 0 HG3 GLU A 72 -17.261 -9.082 -1.333 1.00 1.94 H new ATOM 174 N ILE A 73 -14.773 -5.035 -2.380 1.00 0.99 N ATOM 175 CA ILE A 73 -13.842 -4.038 -2.966 1.00 0.91 C ATOM 176 C ILE A 73 -13.624 -2.892 -1.972 1.00 0.80 C ATOM 177 O ILE A 73 -12.528 -2.387 -1.827 1.00 0.74 O ATOM 178 CB ILE A 73 -14.435 -3.508 -4.278 1.00 1.03 C ATOM 179 CG1 ILE A 73 -13.793 -2.157 -4.625 1.00 1.05 C ATOM 180 CG2 ILE A 73 -15.954 -3.355 -4.144 1.00 1.28 C ATOM 181 CD1 ILE A 73 -14.525 -1.016 -3.912 1.00 1.48 C ATOM 0 H ILE A 73 -15.637 -5.182 -2.903 1.00 0.99 H new ATOM 0 HA ILE A 73 -12.879 -4.504 -3.174 1.00 0.91 H new ATOM 0 HB ILE A 73 -14.226 -4.217 -5.079 1.00 1.03 H new ATOM 0 HG12 ILE A 73 -12.743 -2.161 -4.334 1.00 1.05 H new ATOM 0 HG13 ILE A 73 -13.824 -1.999 -5.703 1.00 1.05 H new ATOM 0 HG21 ILE A 73 -16.366 -2.978 -5.080 1.00 1.28 H new ATOM 0 HG22 ILE A 73 -16.399 -4.324 -3.916 1.00 1.28 H new ATOM 0 HG23 ILE A 73 -16.180 -2.654 -3.340 1.00 1.28 H new ATOM 0 HD11 ILE A 73 -14.056 -0.066 -4.169 1.00 1.48 H new ATOM 0 HD12 ILE A 73 -15.569 -1.002 -4.225 1.00 1.48 H new ATOM 0 HD13 ILE A 73 -14.471 -1.167 -2.834 1.00 1.48 H new ATOM 193 N THR A 74 -14.651 -2.478 -1.281 1.00 0.81 N ATOM 194 CA THR A 74 -14.482 -1.370 -0.300 1.00 0.76 C ATOM 195 C THR A 74 -13.490 -1.806 0.777 1.00 0.68 C ATOM 196 O THR A 74 -12.575 -1.084 1.124 1.00 0.62 O ATOM 197 CB THR A 74 -15.830 -1.045 0.344 1.00 0.86 C ATOM 198 OG1 THR A 74 -16.677 -2.179 0.251 1.00 1.35 O ATOM 199 CG2 THR A 74 -16.474 0.136 -0.383 1.00 1.19 C ATOM 0 H THR A 74 -15.595 -2.857 -1.353 1.00 0.81 H new ATOM 0 HA THR A 74 -14.106 -0.482 -0.808 1.00 0.76 H new ATOM 0 HB THR A 74 -15.681 -0.784 1.392 1.00 0.86 H new ATOM 0 HG1 THR A 74 -16.223 -2.959 0.633 1.00 1.35 H new ATOM 0 HG21 THR A 74 -17.435 0.366 0.077 1.00 1.19 H new ATOM 0 HG22 THR A 74 -15.821 1.006 -0.314 1.00 1.19 H new ATOM 0 HG23 THR A 74 -16.626 -0.121 -1.431 1.00 1.19 H new ATOM 207 N LEU A 75 -13.657 -2.988 1.303 1.00 0.72 N ATOM 208 CA LEU A 75 -12.714 -3.472 2.354 1.00 0.69 C ATOM 209 C LEU A 75 -11.336 -3.677 1.734 1.00 0.58 C ATOM 210 O LEU A 75 -10.333 -3.262 2.281 1.00 0.50 O ATOM 211 CB LEU A 75 -13.203 -4.800 2.951 1.00 0.82 C ATOM 212 CG LEU A 75 -13.592 -4.607 4.422 1.00 0.88 C ATOM 213 CD1 LEU A 75 -13.716 -5.974 5.097 1.00 0.87 C ATOM 214 CD2 LEU A 75 -12.515 -3.789 5.142 1.00 1.02 C ATOM 0 H LEU A 75 -14.402 -3.638 1.053 1.00 0.72 H new ATOM 0 HA LEU A 75 -12.663 -2.729 3.149 1.00 0.69 H new ATOM 0 HB2 LEU A 75 -14.059 -5.168 2.386 1.00 0.82 H new ATOM 0 HB3 LEU A 75 -12.420 -5.554 2.870 1.00 0.82 H new ATOM 0 HG LEU A 75 -14.544 -4.079 4.474 1.00 0.88 H new ATOM 0 HD11 LEU A 75 -13.992 -5.840 6.143 1.00 0.87 H new ATOM 0 HD12 LEU A 75 -14.483 -6.561 4.592 1.00 0.87 H new ATOM 0 HD13 LEU A 75 -12.761 -6.497 5.038 1.00 0.87 H new ATOM 0 HD21 LEU A 75 -12.797 -3.655 6.186 1.00 1.02 H new ATOM 0 HD22 LEU A 75 -11.562 -4.315 5.088 1.00 1.02 H new ATOM 0 HD23 LEU A 75 -12.419 -2.814 4.665 1.00 1.02 H new ATOM 226 N ILE A 76 -11.268 -4.317 0.600 1.00 0.62 N ATOM 227 CA ILE A 76 -9.941 -4.541 -0.027 1.00 0.57 C ATOM 228 C ILE A 76 -9.255 -3.192 -0.228 1.00 0.45 C ATOM 229 O ILE A 76 -8.102 -3.017 0.113 1.00 0.38 O ATOM 230 CB ILE A 76 -10.121 -5.215 -1.389 1.00 0.69 C ATOM 231 CG1 ILE A 76 -10.554 -6.668 -1.194 1.00 0.91 C ATOM 232 CG2 ILE A 76 -8.795 -5.180 -2.152 1.00 0.76 C ATOM 233 CD1 ILE A 76 -10.632 -7.364 -2.553 1.00 1.10 C ATOM 0 H ILE A 76 -12.066 -4.690 0.087 1.00 0.62 H new ATOM 0 HA ILE A 76 -9.337 -5.180 0.617 1.00 0.57 H new ATOM 0 HB ILE A 76 -10.886 -4.683 -1.955 1.00 0.69 H new ATOM 0 HG12 ILE A 76 -9.845 -7.186 -0.548 1.00 0.91 H new ATOM 0 HG13 ILE A 76 -11.524 -6.706 -0.698 1.00 0.91 H new ATOM 0 HG21 ILE A 76 -8.921 -5.660 -3.123 1.00 0.76 H new ATOM 0 HG22 ILE A 76 -8.485 -4.145 -2.296 1.00 0.76 H new ATOM 0 HG23 ILE A 76 -8.033 -5.710 -1.581 1.00 0.76 H new ATOM 0 HD11 ILE A 76 -10.941 -8.400 -2.414 1.00 1.10 H new ATOM 0 HD12 ILE A 76 -11.358 -6.851 -3.184 1.00 1.10 H new ATOM 0 HD13 ILE A 76 -9.653 -7.338 -3.032 1.00 1.10 H new ATOM 245 N ILE A 77 -9.951 -2.230 -0.770 1.00 0.44 N ATOM 246 CA ILE A 77 -9.317 -0.901 -0.971 1.00 0.36 C ATOM 247 C ILE A 77 -8.825 -0.364 0.378 1.00 0.28 C ATOM 248 O ILE A 77 -7.703 0.086 0.500 1.00 0.25 O ATOM 249 CB ILE A 77 -10.336 0.068 -1.580 1.00 0.39 C ATOM 250 CG1 ILE A 77 -10.500 -0.245 -3.070 1.00 1.21 C ATOM 251 CG2 ILE A 77 -9.847 1.509 -1.417 1.00 1.18 C ATOM 252 CD1 ILE A 77 -11.607 0.630 -3.657 1.00 1.58 C ATOM 0 H ILE A 77 -10.920 -2.307 -1.079 1.00 0.44 H new ATOM 0 HA ILE A 77 -8.470 -0.998 -1.650 1.00 0.36 H new ATOM 0 HB ILE A 77 -11.292 -0.046 -1.069 1.00 0.39 H new ATOM 0 HG12 ILE A 77 -9.562 -0.064 -3.596 1.00 1.21 H new ATOM 0 HG13 ILE A 77 -10.744 -1.299 -3.206 1.00 1.21 H new ATOM 0 HG21 ILE A 77 -10.576 2.192 -1.852 1.00 1.18 H new ATOM 0 HG22 ILE A 77 -9.726 1.734 -0.357 1.00 1.18 H new ATOM 0 HG23 ILE A 77 -8.890 1.628 -1.925 1.00 1.18 H new ATOM 0 HD11 ILE A 77 -11.723 0.407 -4.718 1.00 1.58 H new ATOM 0 HD12 ILE A 77 -12.544 0.428 -3.139 1.00 1.58 H new ATOM 0 HD13 ILE A 77 -11.344 1.681 -3.534 1.00 1.58 H new ATOM 264 N PHE A 78 -9.650 -0.408 1.394 1.00 0.31 N ATOM 265 CA PHE A 78 -9.201 0.104 2.722 1.00 0.32 C ATOM 266 C PHE A 78 -7.950 -0.655 3.168 1.00 0.30 C ATOM 267 O PHE A 78 -6.961 -0.067 3.561 1.00 0.30 O ATOM 268 CB PHE A 78 -10.313 -0.096 3.758 1.00 0.41 C ATOM 269 CG PHE A 78 -11.302 1.042 3.669 1.00 0.80 C ATOM 270 CD1 PHE A 78 -11.624 1.595 2.424 1.00 1.66 C ATOM 271 CD2 PHE A 78 -11.899 1.543 4.833 1.00 1.52 C ATOM 272 CE1 PHE A 78 -12.543 2.650 2.344 1.00 2.09 C ATOM 273 CE2 PHE A 78 -12.817 2.597 4.751 1.00 1.97 C ATOM 274 CZ PHE A 78 -13.139 3.150 3.507 1.00 1.95 C ATOM 0 H PHE A 78 -10.603 -0.771 1.362 1.00 0.31 H new ATOM 0 HA PHE A 78 -8.973 1.166 2.637 1.00 0.32 H new ATOM 0 HB2 PHE A 78 -10.819 -1.045 3.583 1.00 0.41 H new ATOM 0 HB3 PHE A 78 -9.886 -0.142 4.760 1.00 0.41 H new ATOM 0 HD1 PHE A 78 -11.165 1.209 1.526 1.00 1.66 H new ATOM 0 HD2 PHE A 78 -11.651 1.116 5.794 1.00 1.52 H new ATOM 0 HE1 PHE A 78 -12.791 3.077 1.384 1.00 2.09 H new ATOM 0 HE2 PHE A 78 -13.277 2.983 5.649 1.00 1.97 H new ATOM 0 HZ PHE A 78 -13.847 3.963 3.444 1.00 1.95 H new ATOM 284 N GLY A 79 -7.979 -1.960 3.092 1.00 0.31 N ATOM 285 CA GLY A 79 -6.784 -2.754 3.490 1.00 0.32 C ATOM 286 C GLY A 79 -5.590 -2.316 2.647 1.00 0.26 C ATOM 287 O GLY A 79 -4.506 -2.081 3.144 1.00 0.26 O ATOM 0 H GLY A 79 -8.778 -2.507 2.772 1.00 0.31 H new ATOM 0 HA2 GLY A 79 -6.571 -2.607 4.549 1.00 0.32 H new ATOM 0 HA3 GLY A 79 -6.975 -3.818 3.348 1.00 0.32 H new ATOM 291 N VAL A 80 -5.791 -2.217 1.362 1.00 0.23 N ATOM 292 CA VAL A 80 -4.690 -1.808 0.451 1.00 0.22 C ATOM 293 C VAL A 80 -4.136 -0.446 0.880 1.00 0.21 C ATOM 294 O VAL A 80 -2.940 -0.257 0.983 1.00 0.22 O ATOM 295 CB VAL A 80 -5.233 -1.729 -0.977 1.00 0.24 C ATOM 296 CG1 VAL A 80 -4.096 -1.401 -1.943 1.00 0.28 C ATOM 297 CG2 VAL A 80 -5.854 -3.079 -1.357 1.00 0.28 C ATOM 0 H VAL A 80 -6.682 -2.405 0.901 1.00 0.23 H new ATOM 0 HA VAL A 80 -3.883 -2.540 0.495 1.00 0.22 H new ATOM 0 HB VAL A 80 -5.990 -0.947 -1.035 1.00 0.24 H new ATOM 0 HG11 VAL A 80 -4.486 -1.346 -2.959 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -3.653 -0.443 -1.672 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -3.336 -2.180 -1.888 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -6.242 -3.027 -2.374 1.00 0.28 H new ATOM 0 HG22 VAL A 80 -5.094 -3.858 -1.298 1.00 0.28 H new ATOM 0 HG23 VAL A 80 -6.667 -3.312 -0.670 1.00 0.28 H new ATOM 307 N MET A 81 -4.995 0.504 1.136 1.00 0.22 N ATOM 308 CA MET A 81 -4.507 1.846 1.562 1.00 0.25 C ATOM 309 C MET A 81 -3.647 1.692 2.817 1.00 0.27 C ATOM 310 O MET A 81 -2.560 2.232 2.913 1.00 0.28 O ATOM 311 CB MET A 81 -5.703 2.750 1.872 1.00 0.29 C ATOM 312 CG MET A 81 -6.650 2.776 0.671 1.00 0.36 C ATOM 313 SD MET A 81 -6.711 4.451 -0.014 1.00 1.07 S ATOM 314 CE MET A 81 -8.021 5.090 1.059 1.00 1.70 C ATOM 0 H MET A 81 -6.008 0.409 1.069 1.00 0.22 H new ATOM 0 HA MET A 81 -3.915 2.291 0.763 1.00 0.25 H new ATOM 0 HB2 MET A 81 -6.228 2.385 2.755 1.00 0.29 H new ATOM 0 HB3 MET A 81 -5.360 3.759 2.100 1.00 0.29 H new ATOM 0 HG2 MET A 81 -6.310 2.073 -0.089 1.00 0.36 H new ATOM 0 HG3 MET A 81 -7.648 2.459 0.974 1.00 0.36 H new ATOM 0 HE1 MET A 81 -8.224 6.130 0.805 1.00 1.70 H new ATOM 0 HE2 MET A 81 -8.926 4.499 0.920 1.00 1.70 H new ATOM 0 HE3 MET A 81 -7.703 5.026 2.099 1.00 1.70 H new ATOM 324 N ALA A 82 -4.125 0.952 3.779 1.00 0.28 N ATOM 325 CA ALA A 82 -3.340 0.751 5.027 1.00 0.32 C ATOM 326 C ALA A 82 -1.969 0.156 4.677 1.00 0.30 C ATOM 327 O ALA A 82 -0.951 0.603 5.170 1.00 0.30 O ATOM 328 CB ALA A 82 -4.103 -0.171 5.990 1.00 0.37 C ATOM 0 H ALA A 82 -5.027 0.477 3.754 1.00 0.28 H new ATOM 0 HA ALA A 82 -3.192 1.711 5.522 1.00 0.32 H new ATOM 0 HB1 ALA A 82 -3.519 -0.311 6.900 1.00 0.37 H new ATOM 0 HB2 ALA A 82 -5.063 0.280 6.241 1.00 0.37 H new ATOM 0 HB3 ALA A 82 -4.269 -1.137 5.514 1.00 0.37 H new ATOM 334 N GLY A 83 -1.926 -0.850 3.838 1.00 0.28 N ATOM 335 CA GLY A 83 -0.614 -1.458 3.477 1.00 0.27 C ATOM 336 C GLY A 83 0.314 -0.390 2.900 1.00 0.23 C ATOM 337 O GLY A 83 1.467 -0.292 3.274 1.00 0.23 O ATOM 0 H GLY A 83 -2.740 -1.272 3.391 1.00 0.28 H new ATOM 0 HA2 GLY A 83 -0.158 -1.910 4.358 1.00 0.27 H new ATOM 0 HA3 GLY A 83 -0.761 -2.256 2.749 1.00 0.27 H new ATOM 341 N VAL A 84 -0.169 0.410 1.988 1.00 0.21 N ATOM 342 CA VAL A 84 0.707 1.460 1.394 1.00 0.19 C ATOM 343 C VAL A 84 1.257 2.360 2.505 1.00 0.20 C ATOM 344 O VAL A 84 2.440 2.636 2.561 1.00 0.19 O ATOM 345 CB VAL A 84 -0.110 2.304 0.412 1.00 0.22 C ATOM 346 CG1 VAL A 84 0.715 3.512 -0.034 1.00 0.28 C ATOM 347 CG2 VAL A 84 -0.471 1.455 -0.808 1.00 0.27 C ATOM 0 H VAL A 84 -1.124 0.383 1.631 1.00 0.21 H new ATOM 0 HA VAL A 84 1.537 0.987 0.869 1.00 0.19 H new ATOM 0 HB VAL A 84 -1.022 2.649 0.900 1.00 0.22 H new ATOM 0 HG11 VAL A 84 0.133 4.112 -0.733 1.00 0.28 H new ATOM 0 HG12 VAL A 84 0.974 4.117 0.835 1.00 0.28 H new ATOM 0 HG13 VAL A 84 1.627 3.169 -0.522 1.00 0.28 H new ATOM 0 HG21 VAL A 84 -1.053 2.054 -1.509 1.00 0.27 H new ATOM 0 HG22 VAL A 84 0.442 1.111 -1.295 1.00 0.27 H new ATOM 0 HG23 VAL A 84 -1.059 0.594 -0.491 1.00 0.27 H new ATOM 357 N ILE A 85 0.416 2.813 3.396 1.00 0.23 N ATOM 358 CA ILE A 85 0.907 3.683 4.502 1.00 0.27 C ATOM 359 C ILE A 85 1.999 2.948 5.287 1.00 0.27 C ATOM 360 O ILE A 85 3.045 3.494 5.576 1.00 0.28 O ATOM 361 CB ILE A 85 -0.253 4.026 5.438 1.00 0.33 C ATOM 362 CG1 ILE A 85 -1.237 4.944 4.710 1.00 0.67 C ATOM 363 CG2 ILE A 85 0.286 4.740 6.679 1.00 0.75 C ATOM 364 CD1 ILE A 85 -2.630 4.788 5.322 1.00 1.20 C ATOM 0 H ILE A 85 -0.585 2.619 3.406 1.00 0.23 H new ATOM 0 HA ILE A 85 1.318 4.602 4.084 1.00 0.27 H new ATOM 0 HB ILE A 85 -0.761 3.110 5.739 1.00 0.33 H new ATOM 0 HG12 ILE A 85 -0.909 5.980 4.787 1.00 0.67 H new ATOM 0 HG13 ILE A 85 -1.265 4.696 3.649 1.00 0.67 H new ATOM 0 HG21 ILE A 85 -0.541 4.984 7.346 1.00 0.75 H new ATOM 0 HG22 ILE A 85 0.990 4.088 7.197 1.00 0.75 H new ATOM 0 HG23 ILE A 85 0.794 5.657 6.380 1.00 0.75 H new ATOM 0 HD11 ILE A 85 -3.331 5.442 4.803 1.00 1.20 H new ATOM 0 HD12 ILE A 85 -2.958 3.753 5.222 1.00 1.20 H new ATOM 0 HD13 ILE A 85 -2.596 5.057 6.378 1.00 1.20 H new ATOM 376 N GLY A 86 1.758 1.711 5.636 1.00 0.29 N ATOM 377 CA GLY A 86 2.774 0.937 6.404 1.00 0.33 C ATOM 378 C GLY A 86 4.093 0.897 5.632 1.00 0.30 C ATOM 379 O GLY A 86 5.150 1.127 6.185 1.00 0.33 O ATOM 0 H GLY A 86 0.899 1.204 5.421 1.00 0.29 H new ATOM 0 HA2 GLY A 86 2.929 1.394 7.381 1.00 0.33 H new ATOM 0 HA3 GLY A 86 2.415 -0.077 6.579 1.00 0.33 H new ATOM 383 N THR A 87 4.045 0.602 4.362 1.00 0.25 N ATOM 384 CA THR A 87 5.305 0.544 3.570 1.00 0.25 C ATOM 385 C THR A 87 6.030 1.886 3.679 1.00 0.26 C ATOM 386 O THR A 87 7.216 1.941 3.934 1.00 0.32 O ATOM 387 CB THR A 87 4.978 0.254 2.104 1.00 0.24 C ATOM 388 OG1 THR A 87 4.239 -0.957 2.016 1.00 0.34 O ATOM 389 CG2 THR A 87 6.280 0.119 1.309 1.00 0.31 C ATOM 0 H THR A 87 3.192 0.400 3.841 1.00 0.25 H new ATOM 0 HA THR A 87 5.944 -0.249 3.958 1.00 0.25 H new ATOM 0 HB THR A 87 4.386 1.071 1.693 1.00 0.24 H new ATOM 0 HG1 THR A 87 3.309 -0.793 2.279 1.00 0.34 H new ATOM 0 HG21 THR A 87 6.049 -0.088 0.264 1.00 0.31 H new ATOM 0 HG22 THR A 87 6.847 1.048 1.378 1.00 0.31 H new ATOM 0 HG23 THR A 87 6.873 -0.699 1.718 1.00 0.31 H new ATOM 397 N ILE A 88 5.326 2.971 3.501 1.00 0.24 N ATOM 398 CA ILE A 88 5.984 4.303 3.610 1.00 0.33 C ATOM 399 C ILE A 88 6.632 4.424 4.990 1.00 0.39 C ATOM 400 O ILE A 88 7.773 4.824 5.123 1.00 0.47 O ATOM 401 CB ILE A 88 4.940 5.407 3.436 1.00 0.37 C ATOM 402 CG1 ILE A 88 4.477 5.441 1.976 1.00 0.39 C ATOM 403 CG2 ILE A 88 5.557 6.756 3.807 1.00 0.47 C ATOM 404 CD1 ILE A 88 3.226 6.314 1.857 1.00 0.49 C ATOM 0 H ILE A 88 4.329 2.992 3.286 1.00 0.24 H new ATOM 0 HA ILE A 88 6.743 4.404 2.835 1.00 0.33 H new ATOM 0 HB ILE A 88 4.087 5.208 4.085 1.00 0.37 H new ATOM 0 HG12 ILE A 88 5.270 5.835 1.341 1.00 0.39 H new ATOM 0 HG13 ILE A 88 4.263 4.431 1.628 1.00 0.39 H new ATOM 0 HG21 ILE A 88 4.813 7.543 3.683 1.00 0.47 H new ATOM 0 HG22 ILE A 88 5.889 6.731 4.845 1.00 0.47 H new ATOM 0 HG23 ILE A 88 6.409 6.957 3.158 1.00 0.47 H new ATOM 0 HD11 ILE A 88 2.897 6.338 0.818 1.00 0.49 H new ATOM 0 HD12 ILE A 88 2.433 5.900 2.480 1.00 0.49 H new ATOM 0 HD13 ILE A 88 3.456 7.327 2.188 1.00 0.49 H new ATOM 416 N LEU A 89 5.911 4.073 6.019 1.00 0.39 N ATOM 417 CA LEU A 89 6.472 4.156 7.395 1.00 0.49 C ATOM 418 C LEU A 89 7.755 3.312 7.466 1.00 0.53 C ATOM 419 O LEU A 89 8.765 3.745 7.982 1.00 0.62 O ATOM 420 CB LEU A 89 5.406 3.659 8.400 1.00 0.53 C ATOM 421 CG LEU A 89 5.942 2.516 9.271 1.00 0.59 C ATOM 422 CD1 LEU A 89 7.040 3.050 10.193 1.00 0.68 C ATOM 423 CD2 LEU A 89 4.802 1.943 10.116 1.00 0.65 C ATOM 0 H LEU A 89 4.952 3.730 5.964 1.00 0.39 H new ATOM 0 HA LEU A 89 6.729 5.184 7.649 1.00 0.49 H new ATOM 0 HB2 LEU A 89 5.092 4.486 9.037 1.00 0.53 H new ATOM 0 HB3 LEU A 89 4.523 3.321 7.858 1.00 0.53 H new ATOM 0 HG LEU A 89 6.352 1.733 8.633 1.00 0.59 H new ATOM 0 HD11 LEU A 89 7.422 2.238 10.812 1.00 0.68 H new ATOM 0 HD12 LEU A 89 7.852 3.461 9.592 1.00 0.68 H new ATOM 0 HD13 LEU A 89 6.630 3.832 10.832 1.00 0.68 H new ATOM 0 HD21 LEU A 89 5.181 1.130 10.736 1.00 0.65 H new ATOM 0 HD22 LEU A 89 4.393 2.726 10.755 1.00 0.65 H new ATOM 0 HD23 LEU A 89 4.018 1.564 9.460 1.00 0.65 H new ATOM 435 N LEU A 90 7.716 2.109 6.956 1.00 0.49 N ATOM 436 CA LEU A 90 8.932 1.243 7.004 1.00 0.57 C ATOM 437 C LEU A 90 10.098 1.962 6.323 1.00 0.60 C ATOM 438 O LEU A 90 11.192 2.020 6.847 1.00 0.71 O ATOM 439 CB LEU A 90 8.657 -0.078 6.279 1.00 0.56 C ATOM 440 CG LEU A 90 9.863 -1.008 6.441 1.00 1.24 C ATOM 441 CD1 LEU A 90 9.420 -2.462 6.264 1.00 1.76 C ATOM 442 CD2 LEU A 90 10.917 -0.668 5.383 1.00 1.92 C ATOM 0 H LEU A 90 6.900 1.690 6.510 1.00 0.49 H new ATOM 0 HA LEU A 90 9.185 1.038 8.044 1.00 0.57 H new ATOM 0 HB2 LEU A 90 7.763 -0.550 6.686 1.00 0.56 H new ATOM 0 HB3 LEU A 90 8.466 0.107 5.222 1.00 0.56 H new ATOM 0 HG LEU A 90 10.287 -0.876 7.436 1.00 1.24 H new ATOM 0 HD11 LEU A 90 10.280 -3.121 6.380 1.00 1.76 H new ATOM 0 HD12 LEU A 90 8.670 -2.708 7.016 1.00 1.76 H new ATOM 0 HD13 LEU A 90 8.993 -2.594 5.270 1.00 1.76 H new ATOM 0 HD21 LEU A 90 11.775 -1.330 5.499 1.00 1.92 H new ATOM 0 HD22 LEU A 90 10.490 -0.798 4.389 1.00 1.92 H new ATOM 0 HD23 LEU A 90 11.237 0.366 5.508 1.00 1.92 H new ATOM 454 N ILE A 91 9.875 2.519 5.163 1.00 0.55 N ATOM 455 CA ILE A 91 10.980 3.238 4.468 1.00 0.65 C ATOM 456 C ILE A 91 11.511 4.333 5.386 1.00 0.75 C ATOM 457 O ILE A 91 12.704 4.472 5.571 1.00 0.87 O ATOM 458 CB ILE A 91 10.456 3.858 3.171 1.00 0.63 C ATOM 459 CG1 ILE A 91 9.975 2.748 2.233 1.00 0.58 C ATOM 460 CG2 ILE A 91 11.579 4.644 2.491 1.00 0.75 C ATOM 461 CD1 ILE A 91 9.248 3.366 1.038 1.00 0.66 C ATOM 0 H ILE A 91 8.982 2.507 4.670 1.00 0.55 H new ATOM 0 HA ILE A 91 11.781 2.540 4.227 1.00 0.65 H new ATOM 0 HB ILE A 91 9.627 4.528 3.399 1.00 0.63 H new ATOM 0 HG12 ILE A 91 10.823 2.156 1.889 1.00 0.58 H new ATOM 0 HG13 ILE A 91 9.308 2.071 2.767 1.00 0.58 H new ATOM 0 HG21 ILE A 91 11.206 5.086 1.567 1.00 0.75 H new ATOM 0 HG22 ILE A 91 11.925 5.434 3.157 1.00 0.75 H new ATOM 0 HG23 ILE A 91 12.407 3.973 2.264 1.00 0.75 H new ATOM 0 HD11 ILE A 91 8.906 2.575 0.371 1.00 0.66 H new ATOM 0 HD12 ILE A 91 8.390 3.939 1.390 1.00 0.66 H new ATOM 0 HD13 ILE A 91 9.929 4.026 0.499 1.00 0.66 H new ATOM 473 N SER A 92 10.643 5.105 5.979 1.00 0.73 N ATOM 474 CA SER A 92 11.127 6.171 6.893 1.00 0.87 C ATOM 475 C SER A 92 11.975 5.521 7.986 1.00 0.94 C ATOM 476 O SER A 92 13.068 5.962 8.283 1.00 1.07 O ATOM 477 CB SER A 92 9.933 6.888 7.524 1.00 0.86 C ATOM 478 OG SER A 92 8.740 6.182 7.209 1.00 1.29 O ATOM 0 H SER A 92 9.631 5.044 5.871 1.00 0.73 H new ATOM 0 HA SER A 92 11.722 6.898 6.340 1.00 0.87 H new ATOM 0 HB2 SER A 92 10.060 6.947 8.605 1.00 0.86 H new ATOM 0 HB3 SER A 92 9.872 7.911 7.154 1.00 0.86 H new ATOM 0 HG SER A 92 8.635 5.427 7.825 1.00 1.29 H new ATOM 484 N TYR A 93 11.488 4.462 8.578 1.00 0.89 N ATOM 485 CA TYR A 93 12.278 3.774 9.638 1.00 1.00 C ATOM 486 C TYR A 93 13.635 3.355 9.063 1.00 1.05 C ATOM 487 O TYR A 93 14.669 3.586 9.656 1.00 1.18 O ATOM 488 CB TYR A 93 11.523 2.534 10.120 1.00 0.96 C ATOM 489 CG TYR A 93 12.325 1.844 11.199 1.00 1.27 C ATOM 490 CD1 TYR A 93 12.169 2.223 12.538 1.00 1.62 C ATOM 491 CD2 TYR A 93 13.226 0.828 10.860 1.00 2.13 C ATOM 492 CE1 TYR A 93 12.913 1.583 13.538 1.00 1.95 C ATOM 493 CE2 TYR A 93 13.970 0.189 11.859 1.00 2.53 C ATOM 494 CZ TYR A 93 13.813 0.567 13.198 1.00 2.15 C ATOM 495 OH TYR A 93 14.548 -0.061 14.184 1.00 2.64 O ATOM 0 H TYR A 93 10.580 4.046 8.373 1.00 0.89 H new ATOM 0 HA TYR A 93 12.428 4.452 10.478 1.00 1.00 H new ATOM 0 HB2 TYR A 93 10.544 2.818 10.505 1.00 0.96 H new ATOM 0 HB3 TYR A 93 11.352 1.852 9.287 1.00 0.96 H new ATOM 0 HD1 TYR A 93 11.475 3.008 12.800 1.00 1.62 H new ATOM 0 HD2 TYR A 93 13.347 0.537 9.827 1.00 2.13 H new ATOM 0 HE1 TYR A 93 12.792 1.874 14.571 1.00 1.95 H new ATOM 0 HE2 TYR A 93 14.665 -0.595 11.597 1.00 2.53 H new ATOM 0 HH TYR A 93 14.466 -1.032 14.084 1.00 2.64 H new ATOM 505 N GLY A 94 13.638 2.746 7.903 1.00 0.97 N ATOM 506 CA GLY A 94 14.927 2.322 7.289 1.00 1.05 C ATOM 507 C GLY A 94 15.829 3.543 7.132 1.00 1.16 C ATOM 508 O GLY A 94 16.992 3.519 7.481 1.00 1.29 O ATOM 0 H GLY A 94 12.804 2.526 7.358 1.00 0.97 H new ATOM 0 HA2 GLY A 94 15.413 1.573 7.914 1.00 1.05 H new ATOM 0 HA3 GLY A 94 14.747 1.860 6.318 1.00 1.05 H new ATOM 512 N ILE A 95 15.295 4.616 6.615 1.00 1.14 N ATOM 513 CA ILE A 95 16.123 5.846 6.443 1.00 1.29 C ATOM 514 C ILE A 95 16.695 6.253 7.806 1.00 1.41 C ATOM 515 O ILE A 95 17.868 6.545 7.935 1.00 1.55 O ATOM 516 CB ILE A 95 15.256 6.982 5.867 1.00 1.28 C ATOM 517 CG1 ILE A 95 15.215 6.866 4.341 1.00 1.74 C ATOM 518 CG2 ILE A 95 15.849 8.345 6.241 1.00 1.77 C ATOM 519 CD1 ILE A 95 13.780 7.069 3.852 1.00 2.19 C ATOM 0 H ILE A 95 14.326 4.695 6.305 1.00 1.14 H new ATOM 0 HA ILE A 95 16.941 5.650 5.750 1.00 1.29 H new ATOM 0 HB ILE A 95 14.251 6.899 6.280 1.00 1.28 H new ATOM 0 HG12 ILE A 95 15.872 7.610 3.891 1.00 1.74 H new ATOM 0 HG13 ILE A 95 15.581 5.888 4.030 1.00 1.74 H new ATOM 0 HG21 ILE A 95 15.226 9.138 5.828 1.00 1.77 H new ATOM 0 HG22 ILE A 95 15.885 8.441 7.326 1.00 1.77 H new ATOM 0 HG23 ILE A 95 16.857 8.427 5.836 1.00 1.77 H new ATOM 0 HD11 ILE A 95 13.751 6.986 2.766 1.00 2.19 H new ATOM 0 HD12 ILE A 95 13.135 6.308 4.291 1.00 2.19 H new ATOM 0 HD13 ILE A 95 13.430 8.057 4.150 1.00 2.19 H new ATOM 531 N ARG A 96 15.878 6.274 8.823 1.00 1.37 N ATOM 532 CA ARG A 96 16.382 6.663 10.172 1.00 1.51 C ATOM 533 C ARG A 96 17.537 5.741 10.565 1.00 1.58 C ATOM 534 O ARG A 96 18.574 6.185 11.016 1.00 1.73 O ATOM 535 CB ARG A 96 15.254 6.530 11.201 1.00 1.46 C ATOM 536 CG ARG A 96 15.706 7.132 12.533 1.00 1.73 C ATOM 537 CD ARG A 96 14.482 7.435 13.400 1.00 2.03 C ATOM 538 NE ARG A 96 13.787 6.163 13.744 1.00 2.00 N ATOM 539 CZ ARG A 96 12.911 6.138 14.711 1.00 2.45 C ATOM 540 NH1 ARG A 96 13.275 6.440 15.928 1.00 2.76 N ATOM 541 NH2 ARG A 96 11.673 5.813 14.463 1.00 3.14 N ATOM 0 H ARG A 96 14.886 6.040 8.780 1.00 1.37 H new ATOM 0 HA ARG A 96 16.728 7.696 10.146 1.00 1.51 H new ATOM 0 HB2 ARG A 96 14.359 7.040 10.844 1.00 1.46 H new ATOM 0 HB3 ARG A 96 14.991 5.481 11.334 1.00 1.46 H new ATOM 0 HG2 ARG A 96 16.369 6.439 13.051 1.00 1.73 H new ATOM 0 HG3 ARG A 96 16.275 8.045 12.357 1.00 1.73 H new ATOM 0 HD2 ARG A 96 14.787 7.952 14.310 1.00 2.03 H new ATOM 0 HD3 ARG A 96 13.802 8.100 12.868 1.00 2.03 H new ATOM 0 HE ARG A 96 13.996 5.311 13.223 1.00 2.00 H new ATOM 0 HH11 ARG A 96 14.243 6.695 16.122 1.00 2.76 H new ATOM 0 HH12 ARG A 96 12.591 6.421 16.684 1.00 2.76 H new ATOM 0 HH21 ARG A 96 11.388 5.578 13.512 1.00 3.14 H new ATOM 0 HH22 ARG A 96 10.989 5.794 15.220 1.00 3.14 H new ATOM 555 N ARG A 97 17.368 4.460 10.395 1.00 1.50 N ATOM 556 CA ARG A 97 18.458 3.511 10.758 1.00 1.59 C ATOM 557 C ARG A 97 19.734 3.865 9.990 1.00 1.69 C ATOM 558 O ARG A 97 20.810 3.926 10.551 1.00 1.84 O ATOM 559 CB ARG A 97 18.032 2.084 10.409 1.00 1.50 C ATOM 560 CG ARG A 97 19.196 1.125 10.669 1.00 1.77 C ATOM 561 CD ARG A 97 18.650 -0.224 11.141 1.00 2.23 C ATOM 562 NE ARG A 97 18.782 -0.324 12.621 1.00 2.70 N ATOM 563 CZ ARG A 97 18.115 -1.235 13.275 1.00 3.07 C ATOM 564 NH1 ARG A 97 18.507 -2.480 13.243 1.00 3.58 N ATOM 565 NH2 ARG A 97 17.056 -0.901 13.960 1.00 3.56 N ATOM 0 H ARG A 97 16.523 4.029 10.021 1.00 1.50 H new ATOM 0 HA ARG A 97 18.652 3.582 11.828 1.00 1.59 H new ATOM 0 HB2 ARG A 97 17.168 1.795 11.007 1.00 1.50 H new ATOM 0 HB3 ARG A 97 17.729 2.029 9.364 1.00 1.50 H new ATOM 0 HG2 ARG A 97 19.783 0.994 9.760 1.00 1.77 H new ATOM 0 HG3 ARG A 97 19.864 1.543 11.422 1.00 1.77 H new ATOM 0 HD2 ARG A 97 17.604 -0.326 10.851 1.00 2.23 H new ATOM 0 HD3 ARG A 97 19.195 -1.037 10.661 1.00 2.23 H new ATOM 0 HE ARG A 97 19.394 0.319 13.123 1.00 2.70 H new ATOM 0 HH11 ARG A 97 19.335 -2.740 12.707 1.00 3.58 H new ATOM 0 HH12 ARG A 97 17.986 -3.192 13.754 1.00 3.58 H new ATOM 0 HH21 ARG A 97 16.750 0.072 13.984 1.00 3.56 H new ATOM 0 HH22 ARG A 97 16.534 -1.613 14.471 1.00 3.56 H new ATOM 579 N LEU A 98 19.627 4.095 8.709 1.00 1.64 N ATOM 580 CA LEU A 98 20.837 4.438 7.912 1.00 1.75 C ATOM 581 C LEU A 98 21.500 5.675 8.529 1.00 1.91 C ATOM 582 O LEU A 98 22.697 5.711 8.738 1.00 2.05 O ATOM 583 CB LEU A 98 20.413 4.687 6.446 1.00 1.69 C ATOM 584 CG LEU A 98 20.910 6.047 5.940 1.00 2.11 C ATOM 585 CD1 LEU A 98 22.435 6.019 5.814 1.00 2.66 C ATOM 586 CD2 LEU A 98 20.290 6.336 4.571 1.00 2.38 C ATOM 0 H LEU A 98 18.755 4.060 8.182 1.00 1.64 H new ATOM 0 HA LEU A 98 21.560 3.623 7.923 1.00 1.75 H new ATOM 0 HB2 LEU A 98 20.810 3.894 5.812 1.00 1.69 H new ATOM 0 HB3 LEU A 98 19.327 4.643 6.368 1.00 1.69 H new ATOM 0 HG LEU A 98 20.619 6.826 6.644 1.00 2.11 H new ATOM 0 HD11 LEU A 98 22.788 6.985 5.454 1.00 2.66 H new ATOM 0 HD12 LEU A 98 22.877 5.811 6.788 1.00 2.66 H new ATOM 0 HD13 LEU A 98 22.728 5.241 5.109 1.00 2.66 H new ATOM 0 HD21 LEU A 98 20.642 7.302 4.209 1.00 2.38 H new ATOM 0 HD22 LEU A 98 20.582 5.557 3.867 1.00 2.38 H new ATOM 0 HD23 LEU A 98 19.204 6.355 4.660 1.00 2.38 H new ATOM 598 N ILE A 99 20.731 6.683 8.829 1.00 1.90 N ATOM 599 CA ILE A 99 21.312 7.911 9.439 1.00 2.06 C ATOM 600 C ILE A 99 21.698 7.617 10.888 1.00 2.14 C ATOM 601 O ILE A 99 22.490 8.318 11.487 1.00 2.20 O ATOM 602 CB ILE A 99 20.272 9.030 9.410 1.00 2.05 C ATOM 603 CG1 ILE A 99 19.001 8.549 10.117 1.00 1.98 C ATOM 604 CG2 ILE A 99 19.945 9.389 7.960 1.00 2.03 C ATOM 605 CD1 ILE A 99 17.997 9.699 10.201 1.00 2.00 C ATOM 0 H ILE A 99 19.723 6.710 8.678 1.00 1.90 H new ATOM 0 HA ILE A 99 22.195 8.218 8.878 1.00 2.06 H new ATOM 0 HB ILE A 99 20.666 9.911 9.918 1.00 2.05 H new ATOM 0 HG12 ILE A 99 18.565 7.711 9.574 1.00 1.98 H new ATOM 0 HG13 ILE A 99 19.243 8.189 11.117 1.00 1.98 H new ATOM 0 HG21 ILE A 99 19.203 10.187 7.941 1.00 2.03 H new ATOM 0 HG22 ILE A 99 20.851 9.724 7.455 1.00 2.03 H new ATOM 0 HG23 ILE A 99 19.548 8.512 7.449 1.00 2.03 H new ATOM 0 HD11 ILE A 99 17.093 9.357 10.704 1.00 2.00 H new ATOM 0 HD12 ILE A 99 18.435 10.524 10.763 1.00 2.00 H new ATOM 0 HD13 ILE A 99 17.747 10.038 9.196 1.00 2.00 H new ATOM 617 N LYS A 100 21.137 6.586 11.458 1.00 2.35 N ATOM 618 CA LYS A 100 21.462 6.243 12.870 1.00 2.45 C ATOM 619 C LYS A 100 22.281 4.951 12.908 1.00 2.85 C ATOM 620 O LYS A 100 21.750 3.872 13.082 1.00 3.21 O ATOM 621 CB LYS A 100 20.161 6.047 13.653 1.00 2.30 C ATOM 622 CG LYS A 100 20.462 6.047 15.152 1.00 2.60 C ATOM 623 CD LYS A 100 19.833 7.282 15.801 1.00 2.94 C ATOM 624 CE LYS A 100 19.432 6.955 17.240 1.00 3.56 C ATOM 625 NZ LYS A 100 20.546 6.226 17.912 1.00 3.91 N ATOM 0 H LYS A 100 20.466 5.965 11.005 1.00 2.35 H new ATOM 0 HA LYS A 100 22.042 7.050 13.318 1.00 2.45 H new ATOM 0 HB2 LYS A 100 19.456 6.843 13.413 1.00 2.30 H new ATOM 0 HB3 LYS A 100 19.690 5.107 13.366 1.00 2.30 H new ATOM 0 HG2 LYS A 100 20.068 5.141 15.612 1.00 2.60 H new ATOM 0 HG3 LYS A 100 21.539 6.046 15.317 1.00 2.60 H new ATOM 0 HD2 LYS A 100 20.540 8.112 15.789 1.00 2.94 H new ATOM 0 HD3 LYS A 100 18.959 7.599 15.232 1.00 2.94 H new ATOM 0 HE2 LYS A 100 19.204 7.872 17.783 1.00 3.56 H new ATOM 0 HE3 LYS A 100 18.528 6.346 17.248 1.00 3.56 H new ATOM 0 HZ1 LYS A 100 20.504 6.396 18.937 1.00 3.91 H new ATOM 0 HZ2 LYS A 100 20.456 5.207 17.726 1.00 3.91 H new ATOM 0 HZ3 LYS A 100 21.456 6.566 17.542 1.00 3.91 H new ATOM 639 N LYS A 101 23.571 5.053 12.741 1.00 3.09 N ATOM 640 CA LYS A 101 24.425 3.831 12.765 1.00 3.63 C ATOM 641 C LYS A 101 23.975 2.875 11.658 1.00 4.10 C ATOM 642 O LYS A 101 24.328 3.116 10.515 1.00 4.56 O ATOM 643 CB LYS A 101 24.294 3.136 14.122 1.00 3.99 C ATOM 644 CG LYS A 101 25.291 1.979 14.201 1.00 4.58 C ATOM 645 CD LYS A 101 24.813 0.959 15.239 1.00 5.25 C ATOM 646 CE LYS A 101 25.931 0.696 16.249 1.00 6.09 C ATOM 647 NZ LYS A 101 26.258 1.961 16.967 1.00 6.53 N ATOM 648 OXT LYS A 101 23.282 1.922 11.972 1.00 4.44 O ATOM 0 H LYS A 101 24.071 5.929 12.589 1.00 3.09 H new ATOM 0 HA LYS A 101 25.465 4.114 12.604 1.00 3.63 H new ATOM 0 HB2 LYS A 101 24.482 3.847 14.926 1.00 3.99 H new ATOM 0 HB3 LYS A 101 23.278 2.764 14.256 1.00 3.99 H new ATOM 0 HG2 LYS A 101 25.388 1.502 13.226 1.00 4.58 H new ATOM 0 HG3 LYS A 101 26.278 2.354 14.472 1.00 4.58 H new ATOM 0 HD2 LYS A 101 23.927 1.334 15.751 1.00 5.25 H new ATOM 0 HD3 LYS A 101 24.528 0.030 14.746 1.00 5.25 H new ATOM 0 HE2 LYS A 101 25.621 -0.069 16.961 1.00 6.09 H new ATOM 0 HE3 LYS A 101 26.816 0.316 15.738 1.00 6.09 H new ATOM 0 HZ1 LYS A 101 26.527 1.744 17.948 1.00 6.53 H new ATOM 0 HZ2 LYS A 101 27.049 2.438 16.488 1.00 6.53 H new ATOM 0 HZ3 LYS A 101 25.426 2.585 16.967 1.00 6.53 H new TER 662 LYS A 101 ATOM 663 N VAL B 62 -11.594 -7.024 13.160 1.00 19.64 N ATOM 664 CA VAL B 62 -10.719 -5.952 12.607 1.00 19.45 C ATOM 665 C VAL B 62 -9.702 -5.518 13.667 1.00 18.79 C ATOM 666 O VAL B 62 -9.186 -4.419 13.629 1.00 19.02 O ATOM 667 CB VAL B 62 -11.577 -4.750 12.203 1.00 19.77 C ATOM 668 CG1 VAL B 62 -12.724 -5.219 11.307 1.00 20.22 C ATOM 669 CG2 VAL B 62 -12.150 -4.088 13.458 1.00 19.99 C ATOM 0 HA VAL B 62 -10.190 -6.333 11.733 1.00 19.45 H new ATOM 0 HB VAL B 62 -10.962 -4.032 11.660 1.00 19.77 H new ATOM 0 HG11 VAL B 62 -13.335 -4.363 11.020 1.00 20.22 H new ATOM 0 HG12 VAL B 62 -12.317 -5.691 10.413 1.00 20.22 H new ATOM 0 HG13 VAL B 62 -13.339 -5.938 11.849 1.00 20.22 H new ATOM 0 HG21 VAL B 62 -12.761 -3.232 13.171 1.00 19.99 H new ATOM 0 HG22 VAL B 62 -12.764 -4.807 14.000 1.00 19.99 H new ATOM 0 HG23 VAL B 62 -11.334 -3.753 14.098 1.00 19.99 H new ATOM 681 N GLN B 63 -9.409 -6.370 14.612 1.00 18.10 N ATOM 682 CA GLN B 63 -8.424 -5.998 15.667 1.00 17.56 C ATOM 683 C GLN B 63 -7.482 -7.176 15.925 1.00 16.86 C ATOM 684 O GLN B 63 -7.906 -8.255 16.288 1.00 16.59 O ATOM 685 CB GLN B 63 -9.166 -5.648 16.958 1.00 17.30 C ATOM 686 CG GLN B 63 -10.273 -6.675 17.205 1.00 17.01 C ATOM 687 CD GLN B 63 -10.126 -7.257 18.613 1.00 16.75 C ATOM 688 OE1 GLN B 63 -9.078 -7.980 18.901 1.00 17.03 O flip ATOM 689 NE2 GLN B 63 -10.971 -7.050 19.460 1.00 16.36 N flip ATOM 0 H GLN B 63 -9.808 -7.305 14.699 1.00 18.10 H new ATOM 0 HA GLN B 63 -7.846 -5.136 15.335 1.00 17.56 H new ATOM 0 HB2 GLN B 63 -8.471 -5.637 17.798 1.00 17.30 H new ATOM 0 HB3 GLN B 63 -9.593 -4.648 16.885 1.00 17.30 H new ATOM 0 HG2 GLN B 63 -11.250 -6.205 17.095 1.00 17.01 H new ATOM 0 HG3 GLN B 63 -10.217 -7.472 16.463 1.00 17.01 H new ATOM 0 HE21 GLN B 63 -11.790 -6.485 19.236 1.00 16.36 H new ATOM 0 HE22 GLN B 63 -10.862 -7.441 20.396 1.00 16.36 H new ATOM 698 N LEU B 64 -6.205 -6.977 15.742 1.00 16.69 N ATOM 699 CA LEU B 64 -5.238 -8.085 15.978 1.00 16.15 C ATOM 700 C LEU B 64 -5.511 -8.715 17.346 1.00 15.61 C ATOM 701 O LEU B 64 -5.257 -8.117 18.373 1.00 15.57 O ATOM 702 CB LEU B 64 -3.814 -7.533 15.958 1.00 16.73 C ATOM 703 CG LEU B 64 -3.017 -8.206 14.840 1.00 16.88 C ATOM 704 CD1 LEU B 64 -3.278 -7.482 13.517 1.00 17.47 C ATOM 705 CD2 LEU B 64 -1.524 -8.141 15.168 1.00 17.27 C ATOM 0 H LEU B 64 -5.790 -6.096 15.439 1.00 16.69 H new ATOM 0 HA LEU B 64 -5.351 -8.836 15.196 1.00 16.15 H new ATOM 0 HB2 LEU B 64 -3.834 -6.454 15.805 1.00 16.73 H new ATOM 0 HB3 LEU B 64 -3.331 -7.710 16.919 1.00 16.73 H new ATOM 0 HG LEU B 64 -3.327 -9.247 14.752 1.00 16.88 H new ATOM 0 HD11 LEU B 64 -2.709 -7.963 12.721 1.00 17.47 H new ATOM 0 HD12 LEU B 64 -4.341 -7.527 13.281 1.00 17.47 H new ATOM 0 HD13 LEU B 64 -2.969 -6.440 13.605 1.00 17.47 H new ATOM 0 HD21 LEU B 64 -0.955 -8.621 14.371 1.00 17.27 H new ATOM 0 HD22 LEU B 64 -1.216 -7.099 15.257 1.00 17.27 H new ATOM 0 HD23 LEU B 64 -1.336 -8.657 16.110 1.00 17.27 H new ATOM 717 N ALA B 65 -6.025 -9.915 17.376 1.00 15.34 N ATOM 718 CA ALA B 65 -6.305 -10.566 18.684 1.00 14.99 C ATOM 719 C ALA B 65 -5.573 -11.908 18.755 1.00 14.10 C ATOM 720 O ALA B 65 -5.941 -12.788 19.506 1.00 13.96 O ATOM 721 CB ALA B 65 -7.810 -10.797 18.826 1.00 15.58 C ATOM 0 H ALA B 65 -6.262 -10.470 16.553 1.00 15.34 H new ATOM 0 HA ALA B 65 -5.958 -9.922 19.492 1.00 14.99 H new ATOM 0 HB1 ALA B 65 -8.016 -11.274 19.784 1.00 15.58 H new ATOM 0 HB2 ALA B 65 -8.331 -9.841 18.777 1.00 15.58 H new ATOM 0 HB3 ALA B 65 -8.157 -11.441 18.018 1.00 15.58 H new ATOM 727 N HIS B 66 -4.536 -12.070 17.976 1.00 13.65 N ATOM 728 CA HIS B 66 -3.781 -13.355 17.997 1.00 12.91 C ATOM 729 C HIS B 66 -4.764 -14.527 17.953 1.00 12.30 C ATOM 730 O HIS B 66 -4.910 -15.263 18.909 1.00 12.38 O ATOM 731 CB HIS B 66 -2.943 -13.436 19.276 1.00 12.96 C ATOM 732 CG HIS B 66 -1.594 -14.020 18.953 1.00 13.34 C ATOM 733 ND1 HIS B 66 -0.818 -14.658 19.907 1.00 13.54 N ATOM 734 CD2 HIS B 66 -0.872 -14.070 17.787 1.00 13.74 C ATOM 735 CE1 HIS B 66 0.314 -15.062 19.303 1.00 14.03 C ATOM 736 NE2 HIS B 66 0.333 -14.729 18.010 1.00 14.18 N ATOM 0 H HIS B 66 -4.180 -11.368 17.327 1.00 13.65 H new ATOM 0 HA HIS B 66 -3.123 -13.402 17.130 1.00 12.91 H new ATOM 0 HB2 HIS B 66 -2.827 -12.444 19.712 1.00 12.96 H new ATOM 0 HB3 HIS B 66 -3.450 -14.053 20.018 1.00 12.96 H new ATOM 0 HD2 HIS B 66 -1.191 -13.660 16.840 1.00 13.74 H new ATOM 0 HE1 HIS B 66 1.111 -15.592 19.803 1.00 14.03 H new ATOM 0 HE2 HIS B 66 1.072 -14.917 17.332 1.00 14.18 H new ATOM 744 N HIS B 67 -5.441 -14.703 16.852 1.00 11.87 N ATOM 745 CA HIS B 67 -6.416 -15.824 16.744 1.00 11.46 C ATOM 746 C HIS B 67 -6.496 -16.290 15.289 1.00 10.55 C ATOM 747 O HIS B 67 -5.659 -15.956 14.473 1.00 10.53 O ATOM 748 CB HIS B 67 -7.795 -15.346 17.200 1.00 11.84 C ATOM 749 CG HIS B 67 -8.400 -16.361 18.130 1.00 12.35 C ATOM 750 ND1 HIS B 67 -9.736 -16.324 18.495 1.00 12.68 N ATOM 751 CD2 HIS B 67 -7.864 -17.447 18.778 1.00 12.80 C ATOM 752 CE1 HIS B 67 -9.959 -17.357 19.327 1.00 13.29 C ATOM 753 NE2 HIS B 67 -8.851 -18.074 19.534 1.00 13.39 N ATOM 0 H HIS B 67 -5.361 -14.117 16.021 1.00 11.87 H new ATOM 0 HA HIS B 67 -6.090 -16.651 17.375 1.00 11.46 H new ATOM 0 HB2 HIS B 67 -7.709 -14.383 17.703 1.00 11.84 H new ATOM 0 HB3 HIS B 67 -8.443 -15.198 16.336 1.00 11.84 H new ATOM 0 HD2 HIS B 67 -6.834 -17.766 18.711 1.00 12.80 H new ATOM 0 HE1 HIS B 67 -10.917 -17.580 19.773 1.00 13.29 H new ATOM 0 HE2 HIS B 67 -8.750 -18.903 20.120 1.00 13.39 H new ATOM 761 N PHE B 68 -7.497 -17.057 14.956 1.00 10.00 N ATOM 762 CA PHE B 68 -7.629 -17.539 13.551 1.00 9.29 C ATOM 763 C PHE B 68 -7.795 -16.339 12.617 1.00 8.27 C ATOM 764 O PHE B 68 -7.656 -15.202 13.023 1.00 8.29 O ATOM 765 CB PHE B 68 -8.853 -18.453 13.434 1.00 9.52 C ATOM 766 CG PHE B 68 -9.978 -17.906 14.281 1.00 10.43 C ATOM 767 CD1 PHE B 68 -10.545 -16.663 13.975 1.00 10.86 C ATOM 768 CD2 PHE B 68 -10.454 -18.642 15.372 1.00 11.07 C ATOM 769 CE1 PHE B 68 -11.589 -16.158 14.760 1.00 11.86 C ATOM 770 CE2 PHE B 68 -11.497 -18.138 16.157 1.00 12.06 C ATOM 771 CZ PHE B 68 -12.064 -16.895 15.851 1.00 12.43 C ATOM 0 H PHE B 68 -8.228 -17.371 15.594 1.00 10.00 H new ATOM 0 HA PHE B 68 -6.735 -18.097 13.272 1.00 9.29 H new ATOM 0 HB2 PHE B 68 -9.169 -18.523 12.393 1.00 9.52 H new ATOM 0 HB3 PHE B 68 -8.598 -19.462 13.758 1.00 9.52 H new ATOM 0 HD1 PHE B 68 -10.177 -16.094 13.134 1.00 10.86 H new ATOM 0 HD2 PHE B 68 -10.016 -19.600 15.608 1.00 11.07 H new ATOM 0 HE1 PHE B 68 -12.028 -15.200 14.524 1.00 11.86 H new ATOM 0 HE2 PHE B 68 -11.864 -18.707 16.998 1.00 12.06 H new ATOM 0 HZ PHE B 68 -12.868 -16.505 16.457 1.00 12.43 H new ATOM 781 N SER B 69 -8.091 -16.579 11.369 1.00 7.61 N ATOM 782 CA SER B 69 -8.264 -15.447 10.416 1.00 6.80 C ATOM 783 C SER B 69 -9.603 -15.588 9.689 1.00 5.60 C ATOM 784 O SER B 69 -9.755 -16.400 8.798 1.00 5.39 O ATOM 785 CB SER B 69 -7.126 -15.461 9.394 1.00 7.36 C ATOM 786 OG SER B 69 -5.936 -14.987 10.008 1.00 8.12 O ATOM 0 H SER B 69 -8.220 -17.508 10.969 1.00 7.61 H new ATOM 0 HA SER B 69 -8.248 -14.506 10.966 1.00 6.80 H new ATOM 0 HB2 SER B 69 -6.975 -16.472 9.015 1.00 7.36 H new ATOM 0 HB3 SER B 69 -7.382 -14.835 8.539 1.00 7.36 H new ATOM 0 HG SER B 69 -5.205 -14.997 9.355 1.00 8.12 H new ATOM 792 N GLU B 70 -10.577 -14.801 10.061 1.00 5.12 N ATOM 793 CA GLU B 70 -11.906 -14.888 9.391 1.00 4.22 C ATOM 794 C GLU B 70 -11.763 -14.485 7.921 1.00 3.04 C ATOM 795 O GLU B 70 -10.709 -14.058 7.499 1.00 3.18 O ATOM 796 CB GLU B 70 -12.887 -13.938 10.082 1.00 4.88 C ATOM 797 CG GLU B 70 -14.002 -14.748 10.745 1.00 5.77 C ATOM 798 CD GLU B 70 -13.496 -15.324 12.069 1.00 6.71 C ATOM 799 OE1 GLU B 70 -12.302 -15.247 12.308 1.00 7.09 O ATOM 800 OE2 GLU B 70 -14.311 -15.832 12.822 1.00 7.29 O ATOM 0 H GLU B 70 -10.509 -14.102 10.800 1.00 5.12 H new ATOM 0 HA GLU B 70 -12.279 -15.910 9.455 1.00 4.22 H new ATOM 0 HB2 GLU B 70 -12.365 -13.339 10.828 1.00 4.88 H new ATOM 0 HB3 GLU B 70 -13.310 -13.244 9.356 1.00 4.88 H new ATOM 0 HG2 GLU B 70 -14.871 -14.114 10.920 1.00 5.77 H new ATOM 0 HG3 GLU B 70 -14.323 -15.554 10.085 1.00 5.77 H new ATOM 807 N PRO B 71 -12.833 -14.631 7.183 1.00 2.28 N ATOM 808 CA PRO B 71 -12.848 -14.280 5.753 1.00 1.48 C ATOM 809 C PRO B 71 -12.593 -12.780 5.571 1.00 1.33 C ATOM 810 O PRO B 71 -11.720 -12.376 4.827 1.00 1.29 O ATOM 811 CB PRO B 71 -14.258 -14.650 5.273 1.00 2.00 C ATOM 812 CG PRO B 71 -15.042 -15.206 6.491 1.00 2.71 C ATOM 813 CD PRO B 71 -14.105 -15.161 7.709 1.00 2.87 C ATOM 0 HA PRO B 71 -12.074 -14.801 5.190 1.00 1.48 H new ATOM 0 HB2 PRO B 71 -14.763 -13.776 4.860 1.00 2.00 H new ATOM 0 HB3 PRO B 71 -14.208 -15.394 4.478 1.00 2.00 H new ATOM 0 HG2 PRO B 71 -15.937 -14.611 6.674 1.00 2.71 H new ATOM 0 HG3 PRO B 71 -15.372 -16.227 6.300 1.00 2.71 H new ATOM 0 HD2 PRO B 71 -14.507 -14.520 8.494 1.00 2.87 H new ATOM 0 HD3 PRO B 71 -13.972 -16.152 8.143 1.00 2.87 H new ATOM 821 N GLU B 72 -13.351 -11.951 6.237 1.00 1.30 N ATOM 822 CA GLU B 72 -13.154 -10.479 6.092 1.00 1.19 C ATOM 823 C GLU B 72 -11.669 -10.132 6.246 1.00 1.06 C ATOM 824 O GLU B 72 -11.076 -9.525 5.376 1.00 1.01 O ATOM 825 CB GLU B 72 -13.971 -9.740 7.155 1.00 1.29 C ATOM 826 CG GLU B 72 -13.736 -10.376 8.527 1.00 1.90 C ATOM 827 CD GLU B 72 -14.967 -10.157 9.408 1.00 2.25 C ATOM 828 OE1 GLU B 72 -15.877 -10.966 9.331 1.00 2.52 O ATOM 829 OE2 GLU B 72 -14.979 -9.187 10.147 1.00 2.89 O ATOM 0 H GLU B 72 -14.097 -12.229 6.875 1.00 1.30 H new ATOM 0 HA GLU B 72 -13.490 -10.171 5.102 1.00 1.19 H new ATOM 0 HB2 GLU B 72 -13.687 -8.688 7.179 1.00 1.29 H new ATOM 0 HB3 GLU B 72 -15.031 -9.778 6.903 1.00 1.29 H new ATOM 0 HG2 GLU B 72 -13.540 -11.442 8.417 1.00 1.90 H new ATOM 0 HG3 GLU B 72 -12.856 -9.937 8.997 1.00 1.90 H new ATOM 836 N ILE B 73 -11.060 -10.503 7.341 1.00 1.07 N ATOM 837 CA ILE B 73 -9.621 -10.181 7.530 1.00 0.98 C ATOM 838 C ILE B 73 -8.809 -10.762 6.368 1.00 0.89 C ATOM 839 O ILE B 73 -7.818 -10.197 5.947 1.00 0.82 O ATOM 840 CB ILE B 73 -9.133 -10.756 8.869 1.00 1.09 C ATOM 841 CG1 ILE B 73 -7.942 -9.935 9.349 1.00 1.29 C ATOM 842 CG2 ILE B 73 -8.711 -12.221 8.711 1.00 1.27 C ATOM 843 CD1 ILE B 73 -8.323 -9.188 10.627 1.00 2.11 C ATOM 0 H ILE B 73 -11.497 -11.013 8.108 1.00 1.07 H new ATOM 0 HA ILE B 73 -9.487 -9.099 7.546 1.00 0.98 H new ATOM 0 HB ILE B 73 -9.946 -10.709 9.594 1.00 1.09 H new ATOM 0 HG12 ILE B 73 -7.089 -10.587 9.536 1.00 1.29 H new ATOM 0 HG13 ILE B 73 -7.639 -9.227 8.577 1.00 1.29 H new ATOM 0 HG21 ILE B 73 -8.369 -12.607 9.671 1.00 1.27 H new ATOM 0 HG22 ILE B 73 -9.561 -12.809 8.365 1.00 1.27 H new ATOM 0 HG23 ILE B 73 -7.902 -12.290 7.984 1.00 1.27 H new ATOM 0 HD11 ILE B 73 -7.472 -8.600 10.972 1.00 2.11 H new ATOM 0 HD12 ILE B 73 -9.164 -8.525 10.424 1.00 2.11 H new ATOM 0 HD13 ILE B 73 -8.605 -9.906 11.398 1.00 2.11 H new ATOM 855 N THR B 74 -9.221 -11.884 5.846 1.00 0.92 N ATOM 856 CA THR B 74 -8.474 -12.493 4.713 1.00 0.87 C ATOM 857 C THR B 74 -8.504 -11.537 3.522 1.00 0.77 C ATOM 858 O THR B 74 -7.495 -11.270 2.900 1.00 0.69 O ATOM 859 CB THR B 74 -9.131 -13.820 4.322 1.00 0.99 C ATOM 860 OG1 THR B 74 -9.321 -14.613 5.486 1.00 1.57 O ATOM 861 CG2 THR B 74 -8.234 -14.565 3.334 1.00 1.43 C ATOM 0 H THR B 74 -10.042 -12.404 6.155 1.00 0.92 H new ATOM 0 HA THR B 74 -7.441 -12.676 5.010 1.00 0.87 H new ATOM 0 HB THR B 74 -10.096 -13.624 3.854 1.00 0.99 H new ATOM 0 HG1 THR B 74 -10.113 -14.298 5.970 1.00 1.57 H new ATOM 0 HG21 THR B 74 -8.703 -15.509 3.057 1.00 1.43 H new ATOM 0 HG22 THR B 74 -8.091 -13.955 2.442 1.00 1.43 H new ATOM 0 HG23 THR B 74 -7.267 -14.763 3.798 1.00 1.43 H new ATOM 869 N LEU B 75 -9.655 -11.012 3.202 1.00 0.81 N ATOM 870 CA LEU B 75 -9.750 -10.069 2.055 1.00 0.74 C ATOM 871 C LEU B 75 -8.999 -8.785 2.393 1.00 0.62 C ATOM 872 O LEU B 75 -8.217 -8.291 1.606 1.00 0.52 O ATOM 873 CB LEU B 75 -11.230 -9.768 1.773 1.00 0.87 C ATOM 874 CG LEU B 75 -11.360 -8.612 0.774 1.00 1.11 C ATOM 875 CD1 LEU B 75 -12.774 -8.604 0.194 1.00 1.02 C ATOM 876 CD2 LEU B 75 -11.115 -7.279 1.489 1.00 1.63 C ATOM 0 H LEU B 75 -10.534 -11.196 3.686 1.00 0.81 H new ATOM 0 HA LEU B 75 -9.302 -10.513 1.166 1.00 0.74 H new ATOM 0 HB2 LEU B 75 -11.719 -10.657 1.375 1.00 0.87 H new ATOM 0 HB3 LEU B 75 -11.739 -9.513 2.702 1.00 0.87 H new ATOM 0 HG LEU B 75 -10.627 -8.743 -0.022 1.00 1.11 H new ATOM 0 HD11 LEU B 75 -12.871 -7.783 -0.517 1.00 1.02 H new ATOM 0 HD12 LEU B 75 -12.964 -9.549 -0.315 1.00 1.02 H new ATOM 0 HD13 LEU B 75 -13.497 -8.474 0.999 1.00 1.02 H new ATOM 0 HD21 LEU B 75 -11.208 -6.461 0.775 1.00 1.63 H new ATOM 0 HD22 LEU B 75 -11.849 -7.152 2.284 1.00 1.63 H new ATOM 0 HD23 LEU B 75 -10.113 -7.275 1.917 1.00 1.63 H new ATOM 888 N ILE B 76 -9.217 -8.237 3.556 1.00 0.66 N ATOM 889 CA ILE B 76 -8.494 -6.990 3.916 1.00 0.59 C ATOM 890 C ILE B 76 -6.992 -7.251 3.818 1.00 0.48 C ATOM 891 O ILE B 76 -6.255 -6.483 3.232 1.00 0.39 O ATOM 892 CB ILE B 76 -8.857 -6.580 5.347 1.00 0.70 C ATOM 893 CG1 ILE B 76 -10.256 -5.968 5.356 1.00 0.89 C ATOM 894 CG2 ILE B 76 -7.853 -5.544 5.860 1.00 0.73 C ATOM 895 CD1 ILE B 76 -10.699 -5.741 6.802 1.00 1.02 C ATOM 0 H ILE B 76 -9.857 -8.595 4.264 1.00 0.66 H new ATOM 0 HA ILE B 76 -8.775 -6.186 3.236 1.00 0.59 H new ATOM 0 HB ILE B 76 -8.831 -7.459 5.991 1.00 0.70 H new ATOM 0 HG12 ILE B 76 -10.256 -5.024 4.811 1.00 0.89 H new ATOM 0 HG13 ILE B 76 -10.958 -6.629 4.848 1.00 0.89 H new ATOM 0 HG21 ILE B 76 -8.116 -5.256 6.878 1.00 0.73 H new ATOM 0 HG22 ILE B 76 -6.851 -5.973 5.851 1.00 0.73 H new ATOM 0 HG23 ILE B 76 -7.877 -4.665 5.216 1.00 0.73 H new ATOM 0 HD11 ILE B 76 -11.698 -5.304 6.812 1.00 1.02 H new ATOM 0 HD12 ILE B 76 -10.714 -6.694 7.332 1.00 1.02 H new ATOM 0 HD13 ILE B 76 -10.001 -5.063 7.294 1.00 1.02 H new ATOM 907 N ILE B 77 -6.533 -8.336 4.380 1.00 0.51 N ATOM 908 CA ILE B 77 -5.082 -8.651 4.308 1.00 0.45 C ATOM 909 C ILE B 77 -4.648 -8.723 2.838 1.00 0.35 C ATOM 910 O ILE B 77 -3.645 -8.154 2.453 1.00 0.30 O ATOM 911 CB ILE B 77 -4.823 -9.992 5.020 1.00 0.52 C ATOM 912 CG1 ILE B 77 -4.501 -9.724 6.493 1.00 1.19 C ATOM 913 CG2 ILE B 77 -3.642 -10.732 4.379 1.00 1.41 C ATOM 914 CD1 ILE B 77 -5.747 -9.200 7.207 1.00 1.86 C ATOM 0 H ILE B 77 -7.101 -9.016 4.885 1.00 0.51 H new ATOM 0 HA ILE B 77 -4.502 -7.872 4.802 1.00 0.45 H new ATOM 0 HB ILE B 77 -5.716 -10.611 4.930 1.00 0.52 H new ATOM 0 HG12 ILE B 77 -4.154 -10.640 6.972 1.00 1.19 H new ATOM 0 HG13 ILE B 77 -3.692 -8.997 6.572 1.00 1.19 H new ATOM 0 HG21 ILE B 77 -3.479 -11.676 4.899 1.00 1.41 H new ATOM 0 HG22 ILE B 77 -3.862 -10.929 3.330 1.00 1.41 H new ATOM 0 HG23 ILE B 77 -2.745 -10.117 4.452 1.00 1.41 H new ATOM 0 HD11 ILE B 77 -5.513 -9.011 8.255 1.00 1.86 H new ATOM 0 HD12 ILE B 77 -6.074 -8.274 6.735 1.00 1.86 H new ATOM 0 HD13 ILE B 77 -6.543 -9.942 7.141 1.00 1.86 H new ATOM 926 N PHE B 78 -5.385 -9.423 2.012 1.00 0.37 N ATOM 927 CA PHE B 78 -4.982 -9.519 0.577 1.00 0.34 C ATOM 928 C PHE B 78 -4.887 -8.116 -0.022 1.00 0.29 C ATOM 929 O PHE B 78 -3.913 -7.771 -0.659 1.00 0.27 O ATOM 930 CB PHE B 78 -6.016 -10.335 -0.206 1.00 0.44 C ATOM 931 CG PHE B 78 -5.547 -11.766 -0.322 1.00 1.05 C ATOM 932 CD1 PHE B 78 -4.659 -12.130 -1.341 1.00 1.80 C ATOM 933 CD2 PHE B 78 -5.999 -12.728 0.589 1.00 1.97 C ATOM 934 CE1 PHE B 78 -4.223 -13.457 -1.448 1.00 2.57 C ATOM 935 CE2 PHE B 78 -5.564 -14.055 0.481 1.00 2.71 C ATOM 936 CZ PHE B 78 -4.676 -14.419 -0.538 1.00 2.81 C ATOM 0 H PHE B 78 -6.236 -9.925 2.265 1.00 0.37 H new ATOM 0 HA PHE B 78 -4.012 -10.013 0.513 1.00 0.34 H new ATOM 0 HB2 PHE B 78 -6.982 -10.298 0.298 1.00 0.44 H new ATOM 0 HB3 PHE B 78 -6.158 -9.906 -1.198 1.00 0.44 H new ATOM 0 HD1 PHE B 78 -4.310 -11.388 -2.044 1.00 1.80 H new ATOM 0 HD2 PHE B 78 -6.684 -12.447 1.376 1.00 1.97 H new ATOM 0 HE1 PHE B 78 -3.537 -13.738 -2.233 1.00 2.57 H new ATOM 0 HE2 PHE B 78 -5.914 -14.797 1.184 1.00 2.71 H new ATOM 0 HZ PHE B 78 -4.340 -15.442 -0.622 1.00 2.81 H new ATOM 946 N GLY B 79 -5.882 -7.295 0.189 1.00 0.30 N ATOM 947 CA GLY B 79 -5.820 -5.911 -0.359 1.00 0.28 C ATOM 948 C GLY B 79 -4.573 -5.217 0.183 1.00 0.22 C ATOM 949 O GLY B 79 -3.817 -4.603 -0.546 1.00 0.23 O ATOM 0 H GLY B 79 -6.728 -7.521 0.713 1.00 0.30 H new ATOM 0 HA2 GLY B 79 -5.792 -5.938 -1.448 1.00 0.28 H new ATOM 0 HA3 GLY B 79 -6.713 -5.354 -0.077 1.00 0.28 H new ATOM 953 N VAL B 80 -4.357 -5.316 1.466 1.00 0.22 N ATOM 954 CA VAL B 80 -3.167 -4.672 2.086 1.00 0.23 C ATOM 955 C VAL B 80 -1.892 -5.193 1.420 1.00 0.22 C ATOM 956 O VAL B 80 -1.016 -4.434 1.053 1.00 0.23 O ATOM 957 CB VAL B 80 -3.151 -4.993 3.581 1.00 0.27 C ATOM 958 CG1 VAL B 80 -1.982 -4.268 4.251 1.00 0.33 C ATOM 959 CG2 VAL B 80 -4.469 -4.528 4.210 1.00 0.30 C ATOM 0 H VAL B 80 -4.960 -5.820 2.116 1.00 0.22 H new ATOM 0 HA VAL B 80 -3.216 -3.592 1.948 1.00 0.23 H new ATOM 0 HB VAL B 80 -3.035 -6.068 3.722 1.00 0.27 H new ATOM 0 HG11 VAL B 80 -1.973 -4.499 5.316 1.00 0.33 H new ATOM 0 HG12 VAL B 80 -1.045 -4.596 3.801 1.00 0.33 H new ATOM 0 HG13 VAL B 80 -2.094 -3.193 4.114 1.00 0.33 H new ATOM 0 HG21 VAL B 80 -4.463 -4.754 5.276 1.00 0.30 H new ATOM 0 HG22 VAL B 80 -4.581 -3.453 4.068 1.00 0.30 H new ATOM 0 HG23 VAL B 80 -5.302 -5.045 3.734 1.00 0.30 H new ATOM 969 N MET B 81 -1.780 -6.484 1.256 1.00 0.22 N ATOM 970 CA MET B 81 -0.561 -7.047 0.608 1.00 0.23 C ATOM 971 C MET B 81 -0.395 -6.417 -0.774 1.00 0.24 C ATOM 972 O MET B 81 0.677 -5.981 -1.145 1.00 0.25 O ATOM 973 CB MET B 81 -0.709 -8.563 0.465 1.00 0.26 C ATOM 974 CG MET B 81 -0.806 -9.200 1.853 1.00 0.32 C ATOM 975 SD MET B 81 0.828 -9.208 2.631 1.00 1.15 S ATOM 976 CE MET B 81 0.315 -8.573 4.246 1.00 1.83 C ATOM 0 H MET B 81 -2.478 -7.171 1.542 1.00 0.22 H new ATOM 0 HA MET B 81 0.314 -6.829 1.220 1.00 0.23 H new ATOM 0 HB2 MET B 81 -1.599 -8.799 -0.118 1.00 0.26 H new ATOM 0 HB3 MET B 81 0.144 -8.973 -0.076 1.00 0.26 H new ATOM 0 HG2 MET B 81 -1.512 -8.645 2.471 1.00 0.32 H new ATOM 0 HG3 MET B 81 -1.186 -10.218 1.771 1.00 0.32 H new ATOM 0 HE1 MET B 81 1.184 -8.496 4.899 1.00 1.83 H new ATOM 0 HE2 MET B 81 -0.135 -7.588 4.123 1.00 1.83 H new ATOM 0 HE3 MET B 81 -0.413 -9.252 4.689 1.00 1.83 H new ATOM 986 N ALA B 82 -1.451 -6.362 -1.538 1.00 0.25 N ATOM 987 CA ALA B 82 -1.360 -5.754 -2.893 1.00 0.27 C ATOM 988 C ALA B 82 -0.841 -4.314 -2.771 1.00 0.26 C ATOM 989 O ALA B 82 0.037 -3.906 -3.504 1.00 0.27 O ATOM 990 CB ALA B 82 -2.734 -5.778 -3.578 1.00 0.31 C ATOM 0 H ALA B 82 -2.374 -6.713 -1.281 1.00 0.25 H new ATOM 0 HA ALA B 82 -0.666 -6.331 -3.504 1.00 0.27 H new ATOM 0 HB1 ALA B 82 -2.655 -5.330 -4.569 1.00 0.31 H new ATOM 0 HB2 ALA B 82 -3.076 -6.809 -3.672 1.00 0.31 H new ATOM 0 HB3 ALA B 82 -3.448 -5.212 -2.980 1.00 0.31 H new ATOM 996 N GLY B 83 -1.371 -3.535 -1.860 1.00 0.25 N ATOM 997 CA GLY B 83 -0.890 -2.132 -1.722 1.00 0.26 C ATOM 998 C GLY B 83 0.616 -2.129 -1.465 1.00 0.24 C ATOM 999 O GLY B 83 1.357 -1.392 -2.086 1.00 0.24 O ATOM 0 H GLY B 83 -2.110 -3.810 -1.213 1.00 0.25 H new ATOM 0 HA2 GLY B 83 -1.116 -1.569 -2.628 1.00 0.26 H new ATOM 0 HA3 GLY B 83 -1.410 -1.638 -0.901 1.00 0.26 H new ATOM 1003 N VAL B 84 1.083 -2.945 -0.559 1.00 0.22 N ATOM 1004 CA VAL B 84 2.547 -2.974 -0.281 1.00 0.21 C ATOM 1005 C VAL B 84 3.300 -3.284 -1.576 1.00 0.21 C ATOM 1006 O VAL B 84 4.261 -2.624 -1.918 1.00 0.21 O ATOM 1007 CB VAL B 84 2.849 -4.057 0.756 1.00 0.23 C ATOM 1008 CG1 VAL B 84 4.262 -3.855 1.306 1.00 0.28 C ATOM 1009 CG2 VAL B 84 1.840 -3.962 1.902 1.00 0.31 C ATOM 0 H VAL B 84 0.519 -3.588 -0.003 1.00 0.22 H new ATOM 0 HA VAL B 84 2.865 -2.005 0.105 1.00 0.21 H new ATOM 0 HB VAL B 84 2.776 -5.038 0.287 1.00 0.23 H new ATOM 0 HG11 VAL B 84 4.478 -4.626 2.045 1.00 0.28 H new ATOM 0 HG12 VAL B 84 4.983 -3.921 0.491 1.00 0.28 H new ATOM 0 HG13 VAL B 84 4.333 -2.873 1.774 1.00 0.28 H new ATOM 0 HG21 VAL B 84 2.055 -4.734 2.641 1.00 0.31 H new ATOM 0 HG22 VAL B 84 1.913 -2.981 2.370 1.00 0.31 H new ATOM 0 HG23 VAL B 84 0.832 -4.104 1.512 1.00 0.31 H new ATOM 1019 N ILE B 85 2.870 -4.281 -2.303 1.00 0.23 N ATOM 1020 CA ILE B 85 3.561 -4.625 -3.577 1.00 0.25 C ATOM 1021 C ILE B 85 3.571 -3.405 -4.504 1.00 0.26 C ATOM 1022 O ILE B 85 4.585 -3.060 -5.077 1.00 0.26 O ATOM 1023 CB ILE B 85 2.828 -5.779 -4.261 1.00 0.30 C ATOM 1024 CG1 ILE B 85 2.927 -7.031 -3.387 1.00 0.32 C ATOM 1025 CG2 ILE B 85 3.473 -6.057 -5.621 1.00 0.40 C ATOM 1026 CD1 ILE B 85 1.975 -8.103 -3.920 1.00 1.06 C ATOM 0 H ILE B 85 2.071 -4.870 -2.069 1.00 0.23 H new ATOM 0 HA ILE B 85 4.587 -4.923 -3.361 1.00 0.25 H new ATOM 0 HB ILE B 85 1.780 -5.513 -4.402 1.00 0.30 H new ATOM 0 HG12 ILE B 85 3.950 -7.407 -3.386 1.00 0.32 H new ATOM 0 HG13 ILE B 85 2.676 -6.787 -2.355 1.00 0.32 H new ATOM 0 HG21 ILE B 85 2.951 -6.880 -6.110 1.00 0.40 H new ATOM 0 HG22 ILE B 85 3.408 -5.165 -6.244 1.00 0.40 H new ATOM 0 HG23 ILE B 85 4.520 -6.325 -5.479 1.00 0.40 H new ATOM 0 HD11 ILE B 85 2.046 -8.995 -3.297 1.00 1.06 H new ATOM 0 HD12 ILE B 85 0.953 -7.725 -3.898 1.00 1.06 H new ATOM 0 HD13 ILE B 85 2.247 -8.354 -4.945 1.00 1.06 H new ATOM 1038 N GLY B 86 2.450 -2.751 -4.660 1.00 0.27 N ATOM 1039 CA GLY B 86 2.403 -1.560 -5.552 1.00 0.30 C ATOM 1040 C GLY B 86 3.436 -0.535 -5.086 1.00 0.27 C ATOM 1041 O GLY B 86 4.195 -0.004 -5.872 1.00 0.29 O ATOM 0 H GLY B 86 1.568 -2.991 -4.208 1.00 0.27 H new ATOM 0 HA2 GLY B 86 2.606 -1.855 -6.582 1.00 0.30 H new ATOM 0 HA3 GLY B 86 1.406 -1.120 -5.537 1.00 0.30 H new ATOM 1045 N THR B 87 3.478 -0.257 -3.812 1.00 0.24 N ATOM 1046 CA THR B 87 4.469 0.729 -3.304 1.00 0.24 C ATOM 1047 C THR B 87 5.875 0.268 -3.695 1.00 0.24 C ATOM 1048 O THR B 87 6.672 1.035 -4.197 1.00 0.28 O ATOM 1049 CB THR B 87 4.366 0.825 -1.781 1.00 0.25 C ATOM 1050 OG1 THR B 87 3.052 1.232 -1.423 1.00 0.32 O ATOM 1051 CG2 THR B 87 5.380 1.847 -1.263 1.00 0.28 C ATOM 0 H THR B 87 2.870 -0.669 -3.104 1.00 0.24 H new ATOM 0 HA THR B 87 4.268 1.709 -3.737 1.00 0.24 H new ATOM 0 HB THR B 87 4.578 -0.148 -1.338 1.00 0.25 H new ATOM 0 HG1 THR B 87 2.445 0.465 -1.480 1.00 0.32 H new ATOM 0 HG21 THR B 87 5.306 1.915 -0.178 1.00 0.28 H new ATOM 0 HG22 THR B 87 6.387 1.533 -1.539 1.00 0.28 H new ATOM 0 HG23 THR B 87 5.171 2.822 -1.703 1.00 0.28 H new ATOM 1059 N ILE B 88 6.181 -0.982 -3.477 1.00 0.23 N ATOM 1060 CA ILE B 88 7.530 -1.492 -3.847 1.00 0.29 C ATOM 1061 C ILE B 88 7.768 -1.245 -5.337 1.00 0.33 C ATOM 1062 O ILE B 88 8.807 -0.760 -5.741 1.00 0.40 O ATOM 1063 CB ILE B 88 7.606 -2.994 -3.566 1.00 0.33 C ATOM 1064 CG1 ILE B 88 7.395 -3.246 -2.072 1.00 0.34 C ATOM 1065 CG2 ILE B 88 8.982 -3.518 -3.980 1.00 0.40 C ATOM 1066 CD1 ILE B 88 7.602 -4.732 -1.771 1.00 0.41 C ATOM 0 H ILE B 88 5.555 -1.671 -3.059 1.00 0.23 H new ATOM 0 HA ILE B 88 8.289 -0.975 -3.260 1.00 0.29 H new ATOM 0 HB ILE B 88 6.832 -3.510 -4.134 1.00 0.33 H new ATOM 0 HG12 ILE B 88 8.093 -2.645 -1.489 1.00 0.34 H new ATOM 0 HG13 ILE B 88 6.390 -2.941 -1.779 1.00 0.34 H new ATOM 0 HG21 ILE B 88 9.039 -4.588 -3.781 1.00 0.40 H new ATOM 0 HG22 ILE B 88 9.135 -3.338 -5.044 1.00 0.40 H new ATOM 0 HG23 ILE B 88 9.755 -3.001 -3.410 1.00 0.40 H new ATOM 0 HD11 ILE B 88 7.452 -4.912 -0.707 1.00 0.41 H new ATOM 0 HD12 ILE B 88 6.886 -5.322 -2.343 1.00 0.41 H new ATOM 0 HD13 ILE B 88 8.616 -5.022 -2.048 1.00 0.41 H new ATOM 1078 N LEU B 89 6.809 -1.576 -6.159 1.00 0.33 N ATOM 1079 CA LEU B 89 6.970 -1.361 -7.622 1.00 0.41 C ATOM 1080 C LEU B 89 7.271 0.122 -7.879 1.00 0.44 C ATOM 1081 O LEU B 89 8.171 0.464 -8.620 1.00 0.51 O ATOM 1082 CB LEU B 89 5.680 -1.818 -8.341 1.00 0.44 C ATOM 1083 CG LEU B 89 5.078 -0.689 -9.188 1.00 0.76 C ATOM 1084 CD1 LEU B 89 6.017 -0.364 -10.351 1.00 1.14 C ATOM 1085 CD2 LEU B 89 3.722 -1.136 -9.740 1.00 1.06 C ATOM 0 H LEU B 89 5.919 -1.987 -5.877 1.00 0.33 H new ATOM 0 HA LEU B 89 7.802 -1.947 -8.013 1.00 0.41 H new ATOM 0 HB2 LEU B 89 5.901 -2.674 -8.978 1.00 0.44 H new ATOM 0 HB3 LEU B 89 4.949 -2.150 -7.603 1.00 0.44 H new ATOM 0 HG LEU B 89 4.947 0.198 -8.569 1.00 0.76 H new ATOM 0 HD11 LEU B 89 5.588 0.438 -10.952 1.00 1.14 H new ATOM 0 HD12 LEU B 89 6.984 -0.047 -9.960 1.00 1.14 H new ATOM 0 HD13 LEU B 89 6.149 -1.251 -10.971 1.00 1.14 H new ATOM 0 HD21 LEU B 89 3.292 -0.335 -10.342 1.00 1.06 H new ATOM 0 HD22 LEU B 89 3.856 -2.023 -10.359 1.00 1.06 H new ATOM 0 HD23 LEU B 89 3.051 -1.368 -8.913 1.00 1.06 H new ATOM 1097 N LEU B 90 6.524 1.004 -7.272 1.00 0.40 N ATOM 1098 CA LEU B 90 6.779 2.461 -7.487 1.00 0.47 C ATOM 1099 C LEU B 90 8.226 2.775 -7.111 1.00 0.51 C ATOM 1100 O LEU B 90 8.937 3.438 -7.840 1.00 0.60 O ATOM 1101 CB LEU B 90 5.840 3.296 -6.608 1.00 0.47 C ATOM 1102 CG LEU B 90 4.637 3.757 -7.435 1.00 1.14 C ATOM 1103 CD1 LEU B 90 3.624 4.451 -6.521 1.00 2.02 C ATOM 1104 CD2 LEU B 90 5.105 4.739 -8.512 1.00 1.67 C ATOM 0 H LEU B 90 5.754 0.783 -6.641 1.00 0.40 H new ATOM 0 HA LEU B 90 6.600 2.705 -8.534 1.00 0.47 H new ATOM 0 HB2 LEU B 90 5.503 2.706 -5.755 1.00 0.47 H new ATOM 0 HB3 LEU B 90 6.372 4.159 -6.208 1.00 0.47 H new ATOM 0 HG LEU B 90 4.169 2.893 -7.907 1.00 1.14 H new ATOM 0 HD11 LEU B 90 2.768 4.779 -7.110 1.00 2.02 H new ATOM 0 HD12 LEU B 90 3.290 3.754 -5.752 1.00 2.02 H new ATOM 0 HD13 LEU B 90 4.092 5.315 -6.049 1.00 2.02 H new ATOM 0 HD21 LEU B 90 4.249 5.068 -9.101 1.00 1.67 H new ATOM 0 HD22 LEU B 90 5.573 5.602 -8.039 1.00 1.67 H new ATOM 0 HD23 LEU B 90 5.827 4.247 -9.164 1.00 1.67 H new ATOM 1116 N ILE B 91 8.672 2.303 -5.979 1.00 0.47 N ATOM 1117 CA ILE B 91 10.076 2.576 -5.564 1.00 0.57 C ATOM 1118 C ILE B 91 11.031 2.070 -6.642 1.00 0.65 C ATOM 1119 O ILE B 91 11.939 2.766 -7.051 1.00 0.77 O ATOM 1120 CB ILE B 91 10.371 1.859 -4.246 1.00 0.55 C ATOM 1121 CG1 ILE B 91 9.387 2.334 -3.175 1.00 0.51 C ATOM 1122 CG2 ILE B 91 11.800 2.177 -3.802 1.00 0.66 C ATOM 1123 CD1 ILE B 91 9.715 1.651 -1.846 1.00 0.54 C ATOM 0 H ILE B 91 8.126 1.742 -5.325 1.00 0.47 H new ATOM 0 HA ILE B 91 10.211 3.649 -5.430 1.00 0.57 H new ATOM 0 HB ILE B 91 10.264 0.783 -4.386 1.00 0.55 H new ATOM 0 HG12 ILE B 91 9.447 3.417 -3.065 1.00 0.51 H new ATOM 0 HG13 ILE B 91 8.365 2.100 -3.474 1.00 0.51 H new ATOM 0 HG21 ILE B 91 12.011 1.666 -2.862 1.00 0.66 H new ATOM 0 HG22 ILE B 91 12.502 1.839 -4.565 1.00 0.66 H new ATOM 0 HG23 ILE B 91 11.907 3.253 -3.662 1.00 0.66 H new ATOM 0 HD11 ILE B 91 9.015 1.988 -1.081 1.00 0.54 H new ATOM 0 HD12 ILE B 91 9.633 0.570 -1.962 1.00 0.54 H new ATOM 0 HD13 ILE B 91 10.731 1.907 -1.546 1.00 0.54 H new ATOM 1135 N SER B 92 10.838 0.869 -7.115 1.00 0.63 N ATOM 1136 CA SER B 92 11.749 0.352 -8.170 1.00 0.76 C ATOM 1137 C SER B 92 11.713 1.311 -9.360 1.00 0.83 C ATOM 1138 O SER B 92 12.735 1.717 -9.875 1.00 0.95 O ATOM 1139 CB SER B 92 11.283 -1.035 -8.614 1.00 0.74 C ATOM 1140 OG SER B 92 9.987 -0.933 -9.190 1.00 1.53 O ATOM 0 H SER B 92 10.098 0.232 -6.820 1.00 0.63 H new ATOM 0 HA SER B 92 12.765 0.279 -7.782 1.00 0.76 H new ATOM 0 HB2 SER B 92 11.983 -1.452 -9.338 1.00 0.74 H new ATOM 0 HB3 SER B 92 11.262 -1.714 -7.762 1.00 0.74 H new ATOM 0 HG SER B 92 9.424 -0.359 -8.629 1.00 1.53 H new ATOM 1146 N TYR B 93 10.539 1.692 -9.790 1.00 0.77 N ATOM 1147 CA TYR B 93 10.446 2.642 -10.932 1.00 0.87 C ATOM 1148 C TYR B 93 11.204 3.926 -10.583 1.00 0.94 C ATOM 1149 O TYR B 93 11.999 4.421 -11.357 1.00 1.07 O ATOM 1150 CB TYR B 93 8.976 2.973 -11.205 1.00 0.83 C ATOM 1151 CG TYR B 93 8.509 2.239 -12.441 1.00 1.09 C ATOM 1152 CD1 TYR B 93 9.117 1.035 -12.815 1.00 1.74 C ATOM 1153 CD2 TYR B 93 7.465 2.765 -13.212 1.00 1.68 C ATOM 1154 CE1 TYR B 93 8.681 0.358 -13.960 1.00 1.99 C ATOM 1155 CE2 TYR B 93 7.030 2.088 -14.357 1.00 2.03 C ATOM 1156 CZ TYR B 93 7.638 0.883 -14.731 1.00 1.84 C ATOM 1157 OH TYR B 93 7.209 0.215 -15.860 1.00 2.25 O ATOM 0 H TYR B 93 9.647 1.387 -9.401 1.00 0.77 H new ATOM 0 HA TYR B 93 10.884 2.189 -11.821 1.00 0.87 H new ATOM 0 HB2 TYR B 93 8.364 2.689 -10.349 1.00 0.83 H new ATOM 0 HB3 TYR B 93 8.854 4.048 -11.341 1.00 0.83 H new ATOM 0 HD1 TYR B 93 9.922 0.629 -12.221 1.00 1.74 H new ATOM 0 HD2 TYR B 93 6.995 3.694 -12.923 1.00 1.68 H new ATOM 0 HE1 TYR B 93 9.150 -0.571 -14.249 1.00 1.99 H new ATOM 0 HE2 TYR B 93 6.226 2.495 -14.952 1.00 2.03 H new ATOM 0 HH TYR B 93 6.477 0.715 -16.278 1.00 2.25 H new ATOM 1167 N GLY B 94 10.971 4.463 -9.412 1.00 0.88 N ATOM 1168 CA GLY B 94 11.683 5.704 -9.004 1.00 0.98 C ATOM 1169 C GLY B 94 13.188 5.462 -9.056 1.00 1.10 C ATOM 1170 O GLY B 94 13.939 6.253 -9.594 1.00 1.24 O ATOM 0 H GLY B 94 10.317 4.092 -8.723 1.00 0.88 H new ATOM 0 HA2 GLY B 94 11.412 6.527 -9.666 1.00 0.98 H new ATOM 0 HA3 GLY B 94 11.384 5.994 -7.997 1.00 0.98 H new ATOM 1174 N ILE B 95 13.637 4.369 -8.503 1.00 1.07 N ATOM 1175 CA ILE B 95 15.100 4.075 -8.527 1.00 1.22 C ATOM 1176 C ILE B 95 15.573 4.058 -9.985 1.00 1.34 C ATOM 1177 O ILE B 95 16.567 4.663 -10.333 1.00 1.50 O ATOM 1178 CB ILE B 95 15.372 2.714 -7.851 1.00 1.20 C ATOM 1179 CG1 ILE B 95 15.589 2.926 -6.347 1.00 1.37 C ATOM 1180 CG2 ILE B 95 16.628 2.062 -8.442 1.00 1.50 C ATOM 1181 CD1 ILE B 95 16.939 3.608 -6.116 1.00 1.81 C ATOM 0 H ILE B 95 13.059 3.669 -8.038 1.00 1.07 H new ATOM 0 HA ILE B 95 15.647 4.842 -7.979 1.00 1.22 H new ATOM 0 HB ILE B 95 14.514 2.064 -8.023 1.00 1.20 H new ATOM 0 HG12 ILE B 95 14.786 3.537 -5.936 1.00 1.37 H new ATOM 0 HG13 ILE B 95 15.560 1.969 -5.826 1.00 1.37 H new ATOM 0 HG21 ILE B 95 16.805 1.104 -7.954 1.00 1.50 H new ATOM 0 HG22 ILE B 95 16.487 1.904 -9.511 1.00 1.50 H new ATOM 0 HG23 ILE B 95 17.486 2.714 -8.282 1.00 1.50 H new ATOM 0 HD11 ILE B 95 17.093 3.758 -5.047 1.00 1.81 H new ATOM 0 HD12 ILE B 95 17.737 2.980 -6.512 1.00 1.81 H new ATOM 0 HD13 ILE B 95 16.951 4.573 -6.623 1.00 1.81 H new ATOM 1193 N ARG B 96 14.860 3.378 -10.843 1.00 1.29 N ATOM 1194 CA ARG B 96 15.266 3.335 -12.275 1.00 1.42 C ATOM 1195 C ARG B 96 15.340 4.762 -12.820 1.00 1.52 C ATOM 1196 O ARG B 96 16.293 5.144 -13.470 1.00 1.68 O ATOM 1197 CB ARG B 96 14.232 2.540 -13.077 1.00 1.36 C ATOM 1198 CG ARG B 96 14.272 1.071 -12.651 1.00 1.61 C ATOM 1199 CD ARG B 96 14.491 0.187 -13.881 1.00 1.77 C ATOM 1200 NE ARG B 96 13.203 -0.457 -14.265 1.00 1.70 N ATOM 1201 CZ ARG B 96 13.079 -1.021 -15.435 1.00 2.10 C ATOM 1202 NH1 ARG B 96 13.884 -1.986 -15.783 1.00 2.54 N ATOM 1203 NH2 ARG B 96 12.148 -0.620 -16.258 1.00 2.69 N ATOM 0 H ARG B 96 14.017 2.852 -10.614 1.00 1.29 H new ATOM 0 HA ARG B 96 16.241 2.855 -12.363 1.00 1.42 H new ATOM 0 HB2 ARG B 96 13.236 2.950 -12.912 1.00 1.36 H new ATOM 0 HB3 ARG B 96 14.440 2.626 -14.144 1.00 1.36 H new ATOM 0 HG2 ARG B 96 15.073 0.913 -11.929 1.00 1.61 H new ATOM 0 HG3 ARG B 96 13.339 0.799 -12.157 1.00 1.61 H new ATOM 0 HD2 ARG B 96 14.872 0.785 -14.709 1.00 1.77 H new ATOM 0 HD3 ARG B 96 15.241 -0.574 -13.666 1.00 1.77 H new ATOM 0 HE ARG B 96 12.418 -0.457 -13.613 1.00 1.70 H new ATOM 0 HH11 ARG B 96 14.611 -2.300 -15.140 1.00 2.54 H new ATOM 0 HH12 ARG B 96 13.787 -2.427 -16.698 1.00 2.54 H new ATOM 0 HH21 ARG B 96 11.517 0.134 -15.986 1.00 2.69 H new ATOM 0 HH22 ARG B 96 12.051 -1.061 -17.173 1.00 2.69 H new ATOM 1217 N ARG B 97 14.336 5.552 -12.559 1.00 1.43 N ATOM 1218 CA ARG B 97 14.344 6.955 -13.060 1.00 1.55 C ATOM 1219 C ARG B 97 15.585 7.685 -12.543 1.00 1.67 C ATOM 1220 O ARG B 97 16.278 8.352 -13.284 1.00 1.83 O ATOM 1221 CB ARG B 97 13.083 7.679 -12.584 1.00 1.45 C ATOM 1222 CG ARG B 97 12.860 8.927 -13.438 1.00 1.62 C ATOM 1223 CD ARG B 97 13.104 10.176 -12.591 1.00 1.72 C ATOM 1224 NE ARG B 97 12.368 11.329 -13.182 1.00 2.17 N ATOM 1225 CZ ARG B 97 12.179 12.410 -12.477 1.00 2.50 C ATOM 1226 NH1 ARG B 97 13.135 13.289 -12.363 1.00 2.89 N ATOM 1227 NH2 ARG B 97 11.032 12.611 -11.887 1.00 3.17 N ATOM 0 H ARG B 97 13.511 5.287 -12.021 1.00 1.43 H new ATOM 0 HA ARG B 97 14.364 6.945 -14.150 1.00 1.55 H new ATOM 0 HB2 ARG B 97 12.221 7.016 -12.657 1.00 1.45 H new ATOM 0 HB3 ARG B 97 13.184 7.956 -11.535 1.00 1.45 H new ATOM 0 HG2 ARG B 97 13.533 8.919 -14.295 1.00 1.62 H new ATOM 0 HG3 ARG B 97 11.843 8.934 -13.831 1.00 1.62 H new ATOM 0 HD2 ARG B 97 12.771 10.005 -11.567 1.00 1.72 H new ATOM 0 HD3 ARG B 97 14.171 10.396 -12.547 1.00 1.72 H new ATOM 0 HE ARG B 97 12.013 11.273 -14.136 1.00 2.17 H new ATOM 0 HH11 ARG B 97 14.031 13.131 -12.825 1.00 2.89 H new ATOM 0 HH12 ARG B 97 12.987 14.134 -11.812 1.00 2.89 H new ATOM 0 HH21 ARG B 97 10.284 11.923 -11.977 1.00 3.17 H new ATOM 0 HH22 ARG B 97 10.883 13.456 -11.335 1.00 3.17 H new ATOM 1241 N LEU B 98 15.871 7.569 -11.274 1.00 1.62 N ATOM 1242 CA LEU B 98 17.067 8.261 -10.714 1.00 1.76 C ATOM 1243 C LEU B 98 18.314 7.812 -11.477 1.00 1.92 C ATOM 1244 O LEU B 98 19.131 8.615 -11.883 1.00 2.09 O ATOM 1245 CB LEU B 98 17.220 7.906 -9.233 1.00 1.69 C ATOM 1246 CG LEU B 98 16.195 8.687 -8.407 1.00 1.72 C ATOM 1247 CD1 LEU B 98 16.165 8.137 -6.980 1.00 1.72 C ATOM 1248 CD2 LEU B 98 16.587 10.166 -8.370 1.00 2.01 C ATOM 0 H LEU B 98 15.329 7.026 -10.602 1.00 1.62 H new ATOM 0 HA LEU B 98 16.944 9.339 -10.815 1.00 1.76 H new ATOM 0 HB2 LEU B 98 17.077 6.835 -9.089 1.00 1.69 H new ATOM 0 HB3 LEU B 98 18.229 8.141 -8.895 1.00 1.69 H new ATOM 0 HG LEU B 98 15.210 8.582 -8.861 1.00 1.72 H new ATOM 0 HD11 LEU B 98 15.435 8.693 -6.391 1.00 1.72 H new ATOM 0 HD12 LEU B 98 15.887 7.083 -7.002 1.00 1.72 H new ATOM 0 HD13 LEU B 98 17.152 8.242 -6.529 1.00 1.72 H new ATOM 0 HD21 LEU B 98 15.857 10.721 -7.782 1.00 2.01 H new ATOM 0 HD22 LEU B 98 17.573 10.270 -7.917 1.00 2.01 H new ATOM 0 HD23 LEU B 98 16.611 10.562 -9.385 1.00 2.01 H new ATOM 1260 N ILE B 99 18.465 6.532 -11.677 1.00 1.89 N ATOM 1261 CA ILE B 99 19.656 6.022 -12.413 1.00 2.07 C ATOM 1262 C ILE B 99 19.539 6.384 -13.895 1.00 2.17 C ATOM 1263 O ILE B 99 20.518 6.672 -14.553 1.00 2.50 O ATOM 1264 CB ILE B 99 19.725 4.502 -12.272 1.00 2.14 C ATOM 1265 CG1 ILE B 99 18.410 3.891 -12.758 1.00 2.13 C ATOM 1266 CG2 ILE B 99 19.946 4.133 -10.803 1.00 2.25 C ATOM 1267 CD1 ILE B 99 18.508 2.366 -12.719 1.00 2.38 C ATOM 0 H ILE B 99 17.812 5.815 -11.361 1.00 1.89 H new ATOM 0 HA ILE B 99 20.557 6.473 -11.998 1.00 2.07 H new ATOM 0 HB ILE B 99 20.552 4.117 -12.869 1.00 2.14 H new ATOM 0 HG12 ILE B 99 17.586 4.229 -12.129 1.00 2.13 H new ATOM 0 HG13 ILE B 99 18.195 4.226 -13.773 1.00 2.13 H new ATOM 0 HG21 ILE B 99 19.995 3.049 -10.704 1.00 2.25 H new ATOM 0 HG22 ILE B 99 20.881 4.572 -10.454 1.00 2.25 H new ATOM 0 HG23 ILE B 99 19.120 4.515 -10.204 1.00 2.25 H new ATOM 0 HD11 ILE B 99 17.570 1.932 -13.066 1.00 2.38 H new ATOM 0 HD12 ILE B 99 19.321 2.037 -13.366 1.00 2.38 H new ATOM 0 HD13 ILE B 99 18.703 2.040 -11.697 1.00 2.38 H new ATOM 1279 N LYS B 100 18.348 6.362 -14.429 1.00 2.25 N ATOM 1280 CA LYS B 100 18.173 6.696 -15.870 1.00 2.60 C ATOM 1281 C LYS B 100 17.292 7.939 -16.011 1.00 2.97 C ATOM 1282 O LYS B 100 16.156 7.959 -15.580 1.00 3.27 O ATOM 1283 CB LYS B 100 17.510 5.518 -16.586 1.00 2.80 C ATOM 1284 CG LYS B 100 18.246 5.237 -17.896 1.00 3.38 C ATOM 1285 CD LYS B 100 19.700 4.869 -17.597 1.00 3.94 C ATOM 1286 CE LYS B 100 20.333 4.232 -18.836 1.00 4.56 C ATOM 1287 NZ LYS B 100 20.700 5.297 -19.812 1.00 5.22 N ATOM 0 H LYS B 100 17.490 6.127 -13.930 1.00 2.25 H new ATOM 0 HA LYS B 100 19.148 6.895 -16.315 1.00 2.60 H new ATOM 0 HB2 LYS B 100 17.530 4.634 -15.949 1.00 2.80 H new ATOM 0 HB3 LYS B 100 16.463 5.743 -16.786 1.00 2.80 H new ATOM 0 HG2 LYS B 100 17.757 4.424 -18.433 1.00 3.38 H new ATOM 0 HG3 LYS B 100 18.207 6.114 -18.542 1.00 3.38 H new ATOM 0 HD2 LYS B 100 20.259 5.759 -17.307 1.00 3.94 H new ATOM 0 HD3 LYS B 100 19.745 4.177 -16.756 1.00 3.94 H new ATOM 0 HE2 LYS B 100 21.219 3.663 -18.553 1.00 4.56 H new ATOM 0 HE3 LYS B 100 19.636 3.530 -19.293 1.00 4.56 H new ATOM 0 HZ1 LYS B 100 21.130 4.863 -20.654 1.00 5.22 H new ATOM 0 HZ2 LYS B 100 19.846 5.822 -20.091 1.00 5.22 H new ATOM 0 HZ3 LYS B 100 21.380 5.950 -19.373 1.00 5.22 H new ATOM 1301 N LYS B 101 17.807 8.975 -16.617 1.00 3.27 N ATOM 1302 CA LYS B 101 17.000 10.216 -16.791 1.00 3.83 C ATOM 1303 C LYS B 101 16.832 10.911 -15.438 1.00 4.00 C ATOM 1304 O LYS B 101 17.009 10.249 -14.428 1.00 4.36 O ATOM 1305 CB LYS B 101 15.624 9.855 -17.354 1.00 4.43 C ATOM 1306 CG LYS B 101 15.444 10.515 -18.722 1.00 5.03 C ATOM 1307 CD LYS B 101 14.239 9.896 -19.433 1.00 5.77 C ATOM 1308 CE LYS B 101 12.964 10.619 -18.997 1.00 6.68 C ATOM 1309 NZ LYS B 101 12.657 10.270 -17.582 1.00 7.38 N ATOM 1310 OXT LYS B 101 16.528 12.093 -15.435 1.00 4.28 O ATOM 0 H LYS B 101 18.752 9.015 -16.999 1.00 3.27 H new ATOM 0 HA LYS B 101 17.511 10.887 -17.482 1.00 3.83 H new ATOM 0 HB2 LYS B 101 15.529 8.773 -17.445 1.00 4.43 H new ATOM 0 HB3 LYS B 101 14.841 10.188 -16.672 1.00 4.43 H new ATOM 0 HG2 LYS B 101 15.297 11.589 -18.603 1.00 5.03 H new ATOM 0 HG3 LYS B 101 16.343 10.381 -19.323 1.00 5.03 H new ATOM 0 HD2 LYS B 101 14.362 9.972 -20.513 1.00 5.77 H new ATOM 0 HD3 LYS B 101 14.168 8.835 -19.194 1.00 5.77 H new ATOM 0 HE2 LYS B 101 13.091 11.697 -19.098 1.00 6.68 H new ATOM 0 HE3 LYS B 101 12.133 10.334 -19.642 1.00 6.68 H new ATOM 0 HZ1 LYS B 101 11.626 10.253 -17.444 1.00 7.38 H new ATOM 0 HZ2 LYS B 101 13.051 9.333 -17.362 1.00 7.38 H new ATOM 0 HZ3 LYS B 101 13.079 10.980 -16.950 1.00 7.38 H new TER 1324 LYS B 101