USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 818 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 6 THR OG1 : rot 126:sc= 0.937 USER MOD Single : A 8 TYR OH : rot 30:sc= -0.668 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= -0.634 USER MOD Single : A 25 ASN : amide:sc= -0.34 K(o=-0.34,f=-2!) USER MOD Single : A 27 SER OG : rot 65:sc= 1.45 USER MOD Single : A 29 CYS SG : rot 34:sc= -0.314 USER MOD Single : A 31 HIS : no HD1:sc= -3.96! C(o=-4!,f=-5.4!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 149:sc= -1.11 (180deg=-3.15!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 107:sc= 0.7 USER MOD Single : A 68 SER OG : rot 180:sc= 0.00699 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0346 USER MOD Single : A 72 TYR OH : rot 180:sc= -0.727 USER MOD Single : A 76 GLN : amide:sc= -0.447 X(o=-0.45,f=-0.069) USER MOD Single : A 78 MET CE :methyl -159:sc= -1.02 (180deg=-1.27) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 157:sc= -0.0136 (180deg=-0.27) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.663 USER MOD Single : A 91 GLN : amide:sc= -0.237 K(o=-0.24,f=-0.89) USER MOD Single : A 93 LYS NZ :NH3+ 156:sc= -0.534 (180deg=-0.67) USER MOD Single : A 95 GLN : amide:sc= -0.0206 K(o=-0.021,f=-0.68) USER MOD Single : A 96 THR OG1 : rot -85:sc= 1.27 USER MOD Single : B 1 LYS NZ :NH3+ -160:sc= -0.0508 (180deg=-0.365) USER MOD Single : B -4 SER OG : rot -13:sc= 0.967 USER MOD Single : B -7 PHE N :NH3+ 173:sc= 0.527 (180deg=0.408) USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 2 7.390 -3.646 -10.090 1.00 45.42 N ATOM 43 CA LEU A 2 8.813 -3.555 -10.402 1.00 32.13 C ATOM 44 C LEU A 2 9.403 -4.938 -10.659 1.00 1.14 C ATOM 45 O LEU A 2 8.876 -5.946 -10.189 1.00 21.54 O ATOM 46 CB LEU A 2 9.563 -2.872 -9.257 1.00 22.31 C ATOM 47 CG LEU A 2 10.099 -3.794 -8.161 1.00 35.41 C ATOM 48 CD1 LEU A 2 11.526 -4.217 -8.469 1.00 64.24 C ATOM 49 CD2 LEU A 2 10.024 -3.109 -6.804 1.00 65.32 C ATOM 0 HA LEU A 2 8.925 -2.959 -11.308 1.00 32.13 H new ATOM 0 HB2 LEU A 2 10.401 -2.317 -9.678 1.00 22.31 H new ATOM 0 HB3 LEU A 2 8.896 -2.143 -8.797 1.00 22.31 H new ATOM 0 HG LEU A 2 9.477 -4.688 -8.129 1.00 35.41 H new ATOM 0 HD11 LEU A 2 11.890 -4.873 -7.678 1.00 64.24 H new ATOM 0 HD12 LEU A 2 11.551 -4.748 -9.421 1.00 64.24 H new ATOM 0 HD13 LEU A 2 12.162 -3.334 -8.530 1.00 64.24 H new ATOM 0 HD21 LEU A 2 10.409 -3.780 -6.036 1.00 65.32 H new ATOM 0 HD22 LEU A 2 10.621 -2.198 -6.823 1.00 65.32 H new ATOM 0 HD23 LEU A 2 8.987 -2.858 -6.580 1.00 65.32 H new ATOM 61 N PHE A 3 10.501 -4.977 -11.406 1.00 23.22 N ATOM 62 CA PHE A 3 11.165 -6.236 -11.724 1.00 74.32 C ATOM 63 C PHE A 3 12.674 -6.118 -11.536 1.00 23.50 C ATOM 64 O PHE A 3 13.275 -5.100 -11.877 1.00 64.43 O ATOM 65 CB PHE A 3 10.850 -6.654 -13.162 1.00 54.31 C ATOM 66 CG PHE A 3 9.412 -7.032 -13.375 1.00 53.12 C ATOM 67 CD1 PHE A 3 8.477 -6.076 -13.740 1.00 61.44 C ATOM 68 CD2 PHE A 3 8.995 -8.343 -13.211 1.00 13.02 C ATOM 69 CE1 PHE A 3 7.153 -6.422 -13.936 1.00 43.33 C ATOM 70 CE2 PHE A 3 7.672 -8.694 -13.406 1.00 22.33 C ATOM 71 CZ PHE A 3 6.751 -7.732 -13.770 1.00 34.40 C ATOM 0 H PHE A 3 10.950 -4.151 -11.803 1.00 23.22 H new ATOM 0 HA PHE A 3 10.790 -6.998 -11.041 1.00 74.32 H new ATOM 0 HB2 PHE A 3 11.105 -5.835 -13.834 1.00 54.31 H new ATOM 0 HB3 PHE A 3 11.483 -7.499 -13.433 1.00 54.31 H new ATOM 0 HD1 PHE A 3 8.786 -5.050 -13.873 1.00 61.44 H new ATOM 0 HD2 PHE A 3 9.712 -9.100 -12.928 1.00 13.02 H new ATOM 0 HE1 PHE A 3 6.434 -5.668 -14.219 1.00 43.33 H new ATOM 0 HE2 PHE A 3 7.359 -9.719 -13.274 1.00 22.33 H new ATOM 0 HZ PHE A 3 5.717 -8.004 -13.925 1.00 34.40 H new ATOM 81 N ALA A 4 13.280 -7.168 -10.990 1.00 1.32 N ATOM 82 CA ALA A 4 14.719 -7.183 -10.757 1.00 71.41 C ATOM 83 C ALA A 4 15.413 -8.181 -11.678 1.00 21.20 C ATOM 84 O ALA A 4 14.760 -8.979 -12.350 1.00 71.25 O ATOM 85 CB ALA A 4 15.014 -7.512 -9.301 1.00 45.12 C ATOM 0 H ALA A 4 12.797 -8.019 -10.701 1.00 1.32 H new ATOM 0 HA ALA A 4 15.109 -6.190 -10.980 1.00 71.41 H new ATOM 0 HB1 ALA A 4 16.092 -7.520 -9.141 1.00 45.12 H new ATOM 0 HB2 ALA A 4 14.557 -6.759 -8.658 1.00 45.12 H new ATOM 0 HB3 ALA A 4 14.604 -8.493 -9.059 1.00 45.12 H new ATOM 91 N VAL A 5 16.741 -8.130 -11.704 1.00 61.52 N ATOM 92 CA VAL A 5 17.524 -9.030 -12.543 1.00 22.44 C ATOM 93 C VAL A 5 18.734 -9.571 -11.788 1.00 51.35 C ATOM 94 O VAL A 5 19.546 -8.807 -11.265 1.00 40.02 O ATOM 95 CB VAL A 5 18.005 -8.326 -13.825 1.00 61.23 C ATOM 96 CG1 VAL A 5 18.814 -7.085 -13.482 1.00 13.52 C ATOM 97 CG2 VAL A 5 18.819 -9.282 -14.684 1.00 24.10 C ATOM 0 H VAL A 5 17.297 -7.475 -11.154 1.00 61.52 H new ATOM 0 HA VAL A 5 16.870 -9.858 -12.816 1.00 22.44 H new ATOM 0 HB VAL A 5 17.131 -8.014 -14.397 1.00 61.23 H new ATOM 0 HG11 VAL A 5 19.145 -6.601 -14.401 1.00 13.52 H new ATOM 0 HG12 VAL A 5 18.195 -6.393 -12.911 1.00 13.52 H new ATOM 0 HG13 VAL A 5 19.683 -7.370 -12.888 1.00 13.52 H new ATOM 0 HG21 VAL A 5 19.151 -8.768 -15.586 1.00 24.10 H new ATOM 0 HG22 VAL A 5 19.687 -9.626 -14.122 1.00 24.10 H new ATOM 0 HG23 VAL A 5 18.203 -10.138 -14.960 1.00 24.10 H new ATOM 107 N THR A 6 18.849 -10.894 -11.736 1.00 62.23 N ATOM 108 CA THR A 6 19.959 -11.538 -11.046 1.00 25.02 C ATOM 109 C THR A 6 21.256 -11.392 -11.834 1.00 60.41 C ATOM 110 O THR A 6 21.246 -11.363 -13.066 1.00 20.35 O ATOM 111 CB THR A 6 19.682 -13.034 -10.808 1.00 74.44 C ATOM 112 OG1 THR A 6 18.694 -13.502 -11.734 1.00 32.03 O ATOM 113 CG2 THR A 6 19.205 -13.277 -9.384 1.00 51.03 C ATOM 0 H THR A 6 18.186 -11.541 -12.164 1.00 62.23 H new ATOM 0 HA THR A 6 20.064 -11.038 -10.083 1.00 25.02 H new ATOM 0 HB THR A 6 20.612 -13.582 -10.961 1.00 74.44 H new ATOM 0 HG1 THR A 6 19.040 -14.282 -12.215 1.00 32.03 H new ATOM 0 HG21 THR A 6 19.016 -14.341 -9.240 1.00 51.03 H new ATOM 0 HG22 THR A 6 19.971 -12.946 -8.682 1.00 51.03 H new ATOM 0 HG23 THR A 6 18.286 -12.718 -9.208 1.00 51.03 H new ATOM 121 N LEU A 7 22.371 -11.302 -11.118 1.00 42.01 N ATOM 122 CA LEU A 7 23.678 -11.160 -11.751 1.00 73.14 C ATOM 123 C LEU A 7 24.578 -12.344 -11.413 1.00 61.03 C ATOM 124 O LEU A 7 25.636 -12.525 -12.017 1.00 73.13 O ATOM 125 CB LEU A 7 24.343 -9.856 -11.308 1.00 13.04 C ATOM 126 CG LEU A 7 23.501 -8.588 -11.458 1.00 32.41 C ATOM 127 CD1 LEU A 7 24.096 -7.452 -10.641 1.00 21.33 C ATOM 128 CD2 LEU A 7 23.390 -8.193 -12.923 1.00 54.40 C ATOM 0 H LEU A 7 22.397 -11.325 -10.099 1.00 42.01 H new ATOM 0 HA LEU A 7 23.530 -11.136 -12.831 1.00 73.14 H new ATOM 0 HB2 LEU A 7 24.630 -9.955 -10.261 1.00 13.04 H new ATOM 0 HB3 LEU A 7 25.262 -9.728 -11.880 1.00 13.04 H new ATOM 0 HG LEU A 7 22.499 -8.793 -11.080 1.00 32.41 H new ATOM 0 HD11 LEU A 7 23.483 -6.558 -10.760 1.00 21.33 H new ATOM 0 HD12 LEU A 7 24.123 -7.736 -9.589 1.00 21.33 H new ATOM 0 HD13 LEU A 7 25.109 -7.246 -10.987 1.00 21.33 H new ATOM 0 HD21 LEU A 7 22.788 -7.289 -13.011 1.00 54.40 H new ATOM 0 HD22 LEU A 7 24.385 -8.007 -13.326 1.00 54.40 H new ATOM 0 HD23 LEU A 7 22.917 -9.000 -13.483 1.00 54.40 H new ATOM 140 N TYR A 8 24.151 -13.148 -10.446 1.00 71.22 N ATOM 141 CA TYR A 8 24.918 -14.315 -10.028 1.00 25.04 C ATOM 142 C TYR A 8 23.999 -15.500 -9.746 1.00 41.35 C ATOM 143 O TYR A 8 22.783 -15.344 -9.646 1.00 33.35 O ATOM 144 CB TYR A 8 25.744 -13.989 -8.782 1.00 14.43 C ATOM 145 CG TYR A 8 26.639 -12.781 -8.947 1.00 74.34 C ATOM 146 CD1 TYR A 8 26.132 -11.494 -8.824 1.00 14.31 C ATOM 147 CD2 TYR A 8 27.992 -12.928 -9.226 1.00 71.54 C ATOM 148 CE1 TYR A 8 26.946 -10.388 -8.975 1.00 54.13 C ATOM 149 CE2 TYR A 8 28.814 -11.828 -9.378 1.00 33.41 C ATOM 150 CZ TYR A 8 28.286 -10.560 -9.252 1.00 32.30 C ATOM 151 OH TYR A 8 29.100 -9.461 -9.402 1.00 63.40 O ATOM 0 H TYR A 8 23.278 -13.013 -9.937 1.00 71.22 H new ATOM 0 HA TYR A 8 25.590 -14.586 -10.842 1.00 25.04 H new ATOM 0 HB2 TYR A 8 25.069 -13.819 -7.943 1.00 14.43 H new ATOM 0 HB3 TYR A 8 26.358 -14.853 -8.527 1.00 14.43 H new ATOM 0 HD1 TYR A 8 25.083 -11.355 -8.607 1.00 14.31 H new ATOM 0 HD2 TYR A 8 28.409 -13.919 -9.326 1.00 71.54 H new ATOM 0 HE1 TYR A 8 26.535 -9.394 -8.877 1.00 54.13 H new ATOM 0 HE2 TYR A 8 29.864 -11.960 -9.594 1.00 33.41 H new ATOM 0 HH TYR A 8 28.761 -8.725 -8.851 1.00 63.40 H new ATOM 161 N GLU A 9 24.591 -16.683 -9.621 1.00 23.23 N ATOM 162 CA GLU A 9 23.826 -17.895 -9.351 1.00 50.23 C ATOM 163 C GLU A 9 23.683 -18.125 -7.850 1.00 33.24 C ATOM 164 O GLU A 9 24.653 -18.449 -7.165 1.00 1.05 O ATOM 165 CB GLU A 9 24.499 -19.105 -10.002 1.00 60.12 C ATOM 166 CG GLU A 9 23.735 -20.404 -9.807 1.00 63.13 C ATOM 167 CD GLU A 9 22.694 -20.636 -10.885 1.00 64.23 C ATOM 168 OE1 GLU A 9 22.975 -20.320 -12.060 1.00 42.30 O ATOM 169 OE2 GLU A 9 21.599 -21.135 -10.553 1.00 55.03 O ATOM 0 H GLU A 9 25.597 -16.828 -9.702 1.00 23.23 H new ATOM 0 HA GLU A 9 22.831 -17.769 -9.778 1.00 50.23 H new ATOM 0 HB2 GLU A 9 24.612 -18.917 -11.070 1.00 60.12 H new ATOM 0 HB3 GLU A 9 25.502 -19.218 -9.590 1.00 60.12 H new ATOM 0 HG2 GLU A 9 24.438 -21.237 -9.801 1.00 63.13 H new ATOM 0 HG3 GLU A 9 23.247 -20.391 -8.832 1.00 63.13 H new ATOM 176 N PHE A 10 22.465 -17.955 -7.344 1.00 64.25 N ATOM 177 CA PHE A 10 22.194 -18.143 -5.924 1.00 1.20 C ATOM 178 C PHE A 10 21.768 -19.580 -5.637 1.00 4.44 C ATOM 179 O PHE A 10 20.729 -20.038 -6.110 1.00 74.15 O ATOM 180 CB PHE A 10 21.105 -17.174 -5.459 1.00 4.53 C ATOM 181 CG PHE A 10 21.028 -17.031 -3.965 1.00 73.35 C ATOM 182 CD1 PHE A 10 22.092 -16.506 -3.250 1.00 32.40 C ATOM 183 CD2 PHE A 10 19.891 -17.423 -3.277 1.00 72.12 C ATOM 184 CE1 PHE A 10 22.023 -16.374 -1.876 1.00 5.22 C ATOM 185 CE2 PHE A 10 19.817 -17.292 -1.903 1.00 75.54 C ATOM 186 CZ PHE A 10 20.885 -16.768 -1.202 1.00 34.44 C ATOM 0 H PHE A 10 21.651 -17.687 -7.897 1.00 64.25 H new ATOM 0 HA PHE A 10 23.112 -17.938 -5.374 1.00 1.20 H new ATOM 0 HB2 PHE A 10 21.288 -16.195 -5.901 1.00 4.53 H new ATOM 0 HB3 PHE A 10 20.141 -17.517 -5.833 1.00 4.53 H new ATOM 0 HD1 PHE A 10 22.985 -16.196 -3.772 1.00 32.40 H new ATOM 0 HD2 PHE A 10 19.054 -17.835 -3.820 1.00 72.12 H new ATOM 0 HE1 PHE A 10 22.859 -15.963 -1.330 1.00 5.22 H new ATOM 0 HE2 PHE A 10 18.925 -17.599 -1.378 1.00 75.54 H new ATOM 0 HZ PHE A 10 20.830 -16.667 -0.128 1.00 34.44 H new ATOM 196 N LYS A 11 22.580 -20.286 -4.857 1.00 60.13 N ATOM 197 CA LYS A 11 22.289 -21.671 -4.505 1.00 5.23 C ATOM 198 C LYS A 11 21.474 -21.745 -3.218 1.00 12.11 C ATOM 199 O LYS A 11 21.988 -21.485 -2.130 1.00 72.14 O ATOM 200 CB LYS A 11 23.590 -22.461 -4.343 1.00 31.11 C ATOM 201 CG LYS A 11 24.442 -22.494 -5.600 1.00 20.01 C ATOM 202 CD LYS A 11 25.477 -21.382 -5.601 1.00 42.31 C ATOM 203 CE LYS A 11 26.845 -21.893 -5.175 1.00 40.13 C ATOM 204 NZ LYS A 11 27.685 -20.810 -4.593 1.00 21.01 N ATOM 0 H LYS A 11 23.445 -19.922 -4.457 1.00 60.13 H new ATOM 0 HA LYS A 11 21.702 -22.110 -5.312 1.00 5.23 H new ATOM 0 HB2 LYS A 11 24.172 -22.024 -3.531 1.00 31.11 H new ATOM 0 HB3 LYS A 11 23.350 -23.483 -4.050 1.00 31.11 H new ATOM 0 HG2 LYS A 11 24.943 -23.459 -5.676 1.00 20.01 H new ATOM 0 HG3 LYS A 11 23.802 -22.398 -6.477 1.00 20.01 H new ATOM 0 HD2 LYS A 11 25.544 -20.947 -6.598 1.00 42.31 H new ATOM 0 HD3 LYS A 11 25.159 -20.587 -4.927 1.00 42.31 H new ATOM 0 HE2 LYS A 11 26.723 -22.691 -4.443 1.00 40.13 H new ATOM 0 HE3 LYS A 11 27.355 -22.326 -6.036 1.00 40.13 H new ATOM 0 HZ1 LYS A 11 28.609 -21.199 -4.315 1.00 21.01 H new ATOM 0 HZ2 LYS A 11 27.823 -20.060 -5.300 1.00 21.01 H new ATOM 0 HZ3 LYS A 11 27.210 -20.414 -3.757 1.00 21.01 H new ATOM 218 N ALA A 12 20.201 -22.102 -3.349 1.00 75.25 N ATOM 219 CA ALA A 12 19.315 -22.214 -2.197 1.00 4.12 C ATOM 220 C ALA A 12 19.804 -23.288 -1.231 1.00 61.55 C ATOM 221 O ALA A 12 20.564 -24.178 -1.612 1.00 42.15 O ATOM 222 CB ALA A 12 17.894 -22.515 -2.650 1.00 25.23 C ATOM 0 H ALA A 12 19.760 -22.319 -4.243 1.00 75.25 H new ATOM 0 HA ALA A 12 19.321 -21.259 -1.671 1.00 4.12 H new ATOM 0 HB1 ALA A 12 17.244 -22.596 -1.779 1.00 25.23 H new ATOM 0 HB2 ALA A 12 17.539 -21.710 -3.294 1.00 25.23 H new ATOM 0 HB3 ALA A 12 17.879 -23.455 -3.202 1.00 25.23 H new ATOM 228 N GLU A 13 19.363 -23.199 0.019 1.00 10.24 N ATOM 229 CA GLU A 13 19.758 -24.164 1.039 1.00 51.41 C ATOM 230 C GLU A 13 18.533 -24.800 1.689 1.00 12.15 C ATOM 231 O GLU A 13 18.535 -25.988 2.013 1.00 3.32 O ATOM 232 CB GLU A 13 20.622 -23.487 2.105 1.00 31.34 C ATOM 233 CG GLU A 13 20.088 -22.138 2.556 1.00 53.03 C ATOM 234 CD GLU A 13 20.562 -20.999 1.674 1.00 60.10 C ATOM 235 OE1 GLU A 13 21.337 -21.261 0.731 1.00 24.31 O ATOM 236 OE2 GLU A 13 20.157 -19.845 1.927 1.00 31.24 O ATOM 0 H GLU A 13 18.732 -22.469 0.350 1.00 10.24 H new ATOM 0 HA GLU A 13 20.339 -24.949 0.555 1.00 51.41 H new ATOM 0 HB2 GLU A 13 20.699 -24.145 2.970 1.00 31.34 H new ATOM 0 HB3 GLU A 13 21.631 -23.356 1.714 1.00 31.34 H new ATOM 0 HG2 GLU A 13 18.998 -22.164 2.555 1.00 53.03 H new ATOM 0 HG3 GLU A 13 20.402 -21.952 3.583 1.00 53.03 H new ATOM 243 N ARG A 14 17.488 -24.000 1.878 1.00 21.41 N ATOM 244 CA ARG A 14 16.257 -24.484 2.491 1.00 10.03 C ATOM 245 C ARG A 14 15.066 -24.269 1.562 1.00 12.12 C ATOM 246 O ARG A 14 15.162 -23.547 0.570 1.00 44.22 O ATOM 247 CB ARG A 14 16.013 -23.773 3.824 1.00 73.51 C ATOM 248 CG ARG A 14 16.997 -24.166 4.913 1.00 24.31 C ATOM 249 CD ARG A 14 16.679 -25.540 5.483 1.00 42.12 C ATOM 250 NE ARG A 14 17.599 -25.914 6.554 1.00 75.50 N ATOM 251 CZ ARG A 14 17.586 -27.101 7.151 1.00 4.13 C ATOM 252 NH1 ARG A 14 16.708 -28.023 6.784 1.00 74.03 N ATOM 253 NH2 ARG A 14 18.455 -27.367 8.118 1.00 2.04 N ATOM 0 H ARG A 14 17.470 -23.015 1.615 1.00 21.41 H new ATOM 0 HA ARG A 14 16.366 -25.553 2.672 1.00 10.03 H new ATOM 0 HB2 ARG A 14 16.069 -22.696 3.667 1.00 73.51 H new ATOM 0 HB3 ARG A 14 15.001 -23.993 4.164 1.00 73.51 H new ATOM 0 HG2 ARG A 14 18.009 -24.164 4.508 1.00 24.31 H new ATOM 0 HG3 ARG A 14 16.972 -23.425 5.712 1.00 24.31 H new ATOM 0 HD2 ARG A 14 15.658 -25.547 5.863 1.00 42.12 H new ATOM 0 HD3 ARG A 14 16.728 -26.283 4.687 1.00 42.12 H new ATOM 0 HE ARG A 14 18.288 -25.227 6.860 1.00 75.50 H new ATOM 0 HH11 ARG A 14 16.039 -27.823 6.041 1.00 74.03 H new ATOM 0 HH12 ARG A 14 16.701 -28.933 7.245 1.00 74.03 H new ATOM 0 HH21 ARG A 14 19.133 -26.660 8.403 1.00 2.04 H new ATOM 0 HH22 ARG A 14 18.445 -28.278 8.576 1.00 2.04 H new ATOM 267 N ASP A 15 13.944 -24.901 1.891 1.00 44.33 N ATOM 268 CA ASP A 15 12.734 -24.778 1.086 1.00 21.44 C ATOM 269 C ASP A 15 12.364 -23.313 0.881 1.00 42.24 C ATOM 270 O ASP A 15 11.957 -22.912 -0.210 1.00 65.32 O ATOM 271 CB ASP A 15 11.575 -25.521 1.754 1.00 44.12 C ATOM 272 CG ASP A 15 11.964 -26.916 2.202 1.00 35.13 C ATOM 273 OD1 ASP A 15 12.159 -27.787 1.329 1.00 51.31 O ATOM 274 OD2 ASP A 15 12.071 -27.138 3.427 1.00 40.41 O ATOM 0 H ASP A 15 13.848 -25.503 2.709 1.00 44.33 H new ATOM 0 HA ASP A 15 12.929 -25.224 0.111 1.00 21.44 H new ATOM 0 HB2 ASP A 15 11.229 -24.949 2.615 1.00 44.12 H new ATOM 0 HB3 ASP A 15 10.739 -25.586 1.057 1.00 44.12 H new ATOM 279 N ASP A 16 12.507 -22.518 1.935 1.00 22.35 N ATOM 280 CA ASP A 16 12.188 -21.097 1.871 1.00 42.32 C ATOM 281 C ASP A 16 13.127 -20.372 0.911 1.00 22.15 C ATOM 282 O ASP A 16 12.781 -19.328 0.360 1.00 71.21 O ATOM 283 CB ASP A 16 12.277 -20.469 3.263 1.00 54.45 C ATOM 284 CG ASP A 16 11.030 -20.715 4.089 1.00 11.12 C ATOM 285 OD1 ASP A 16 9.939 -20.840 3.495 1.00 75.32 O ATOM 286 OD2 ASP A 16 11.146 -20.783 5.331 1.00 74.34 O ATOM 0 H ASP A 16 12.842 -22.834 2.845 1.00 22.35 H new ATOM 0 HA ASP A 16 11.168 -20.995 1.500 1.00 42.32 H new ATOM 0 HB2 ASP A 16 13.142 -20.875 3.787 1.00 54.45 H new ATOM 0 HB3 ASP A 16 12.438 -19.396 3.165 1.00 54.45 H new ATOM 291 N GLU A 17 14.317 -20.933 0.719 1.00 71.30 N ATOM 292 CA GLU A 17 15.306 -20.339 -0.172 1.00 50.33 C ATOM 293 C GLU A 17 15.150 -20.874 -1.593 1.00 15.51 C ATOM 294 O GLU A 17 15.095 -22.085 -1.810 1.00 43.21 O ATOM 295 CB GLU A 17 16.720 -20.622 0.338 1.00 5.31 C ATOM 296 CG GLU A 17 16.885 -20.397 1.832 1.00 72.41 C ATOM 297 CD GLU A 17 16.364 -19.045 2.280 1.00 63.45 C ATOM 298 OE1 GLU A 17 16.976 -18.022 1.908 1.00 61.14 O ATOM 299 OE2 GLU A 17 15.346 -19.010 3.001 1.00 21.44 O ATOM 0 H GLU A 17 14.619 -21.797 1.168 1.00 71.30 H new ATOM 0 HA GLU A 17 15.142 -19.262 -0.188 1.00 50.33 H new ATOM 0 HB2 GLU A 17 16.982 -21.654 0.103 1.00 5.31 H new ATOM 0 HB3 GLU A 17 17.424 -19.985 -0.197 1.00 5.31 H new ATOM 0 HG2 GLU A 17 16.359 -21.183 2.374 1.00 72.41 H new ATOM 0 HG3 GLU A 17 17.940 -20.481 2.094 1.00 72.41 H new ATOM 306 N LEU A 18 15.077 -19.962 -2.557 1.00 31.41 N ATOM 307 CA LEU A 18 14.926 -20.341 -3.958 1.00 1.04 C ATOM 308 C LEU A 18 16.215 -20.086 -4.732 1.00 51.15 C ATOM 309 O LEU A 18 16.933 -19.123 -4.463 1.00 0.04 O ATOM 310 CB LEU A 18 13.772 -19.565 -4.595 1.00 3.42 C ATOM 311 CG LEU A 18 13.391 -19.976 -6.017 1.00 61.03 C ATOM 312 CD1 LEU A 18 12.283 -21.017 -5.993 1.00 32.11 C ATOM 313 CD2 LEU A 18 12.966 -18.761 -6.828 1.00 50.42 C ATOM 0 H LEU A 18 15.120 -18.956 -2.394 1.00 31.41 H new ATOM 0 HA LEU A 18 14.704 -21.407 -3.999 1.00 1.04 H new ATOM 0 HB2 LEU A 18 12.893 -19.673 -3.959 1.00 3.42 H new ATOM 0 HB3 LEU A 18 14.032 -18.507 -4.602 1.00 3.42 H new ATOM 0 HG LEU A 18 14.266 -20.418 -6.493 1.00 61.03 H new ATOM 0 HD11 LEU A 18 12.025 -21.297 -7.014 1.00 32.11 H new ATOM 0 HD12 LEU A 18 12.624 -21.898 -5.450 1.00 32.11 H new ATOM 0 HD13 LEU A 18 11.405 -20.602 -5.498 1.00 32.11 H new ATOM 0 HD21 LEU A 18 12.698 -19.073 -7.838 1.00 50.42 H new ATOM 0 HD22 LEU A 18 12.105 -18.290 -6.354 1.00 50.42 H new ATOM 0 HD23 LEU A 18 13.790 -18.049 -6.875 1.00 50.42 H new ATOM 325 N ASP A 19 16.501 -20.953 -5.697 1.00 75.32 N ATOM 326 CA ASP A 19 17.701 -20.820 -6.514 1.00 62.41 C ATOM 327 C ASP A 19 17.431 -19.953 -7.739 1.00 45.35 C ATOM 328 O ASP A 19 16.311 -19.910 -8.249 1.00 25.32 O ATOM 329 CB ASP A 19 18.203 -22.198 -6.950 1.00 34.13 C ATOM 330 CG ASP A 19 19.176 -22.120 -8.109 1.00 42.12 C ATOM 331 OD1 ASP A 19 18.715 -22.041 -9.267 1.00 61.13 O ATOM 332 OD2 ASP A 19 20.399 -22.137 -7.858 1.00 43.35 O ATOM 0 H ASP A 19 15.918 -21.756 -5.933 1.00 75.32 H new ATOM 0 HA ASP A 19 18.469 -20.336 -5.911 1.00 62.41 H new ATOM 0 HB2 ASP A 19 18.687 -22.689 -6.106 1.00 34.13 H new ATOM 0 HB3 ASP A 19 17.353 -22.818 -7.234 1.00 34.13 H new ATOM 337 N VAL A 20 18.465 -19.261 -8.208 1.00 4.23 N ATOM 338 CA VAL A 20 18.340 -18.394 -9.373 1.00 43.22 C ATOM 339 C VAL A 20 19.637 -18.360 -10.175 1.00 33.22 C ATOM 340 O VAL A 20 20.715 -18.622 -9.642 1.00 30.30 O ATOM 341 CB VAL A 20 17.964 -16.957 -8.966 1.00 51.10 C ATOM 342 CG1 VAL A 20 19.135 -16.273 -8.276 1.00 74.23 C ATOM 343 CG2 VAL A 20 17.511 -16.161 -10.181 1.00 2.34 C ATOM 0 H VAL A 20 19.399 -19.284 -7.798 1.00 4.23 H new ATOM 0 HA VAL A 20 17.544 -18.809 -9.992 1.00 43.22 H new ATOM 0 HB VAL A 20 17.135 -17.003 -8.260 1.00 51.10 H new ATOM 0 HG11 VAL A 20 18.850 -15.259 -7.996 1.00 74.23 H new ATOM 0 HG12 VAL A 20 19.408 -16.833 -7.382 1.00 74.23 H new ATOM 0 HG13 VAL A 20 19.987 -16.236 -8.955 1.00 74.23 H new ATOM 0 HG21 VAL A 20 17.249 -15.148 -9.875 1.00 2.34 H new ATOM 0 HG22 VAL A 20 18.318 -16.122 -10.912 1.00 2.34 H new ATOM 0 HG23 VAL A 20 16.640 -16.642 -10.627 1.00 2.34 H new ATOM 353 N SER A 21 19.524 -18.035 -11.459 1.00 31.33 N ATOM 354 CA SER A 21 20.687 -17.970 -12.336 1.00 21.32 C ATOM 355 C SER A 21 20.981 -16.530 -12.743 1.00 14.41 C ATOM 356 O SER A 21 20.099 -15.671 -12.761 1.00 54.34 O ATOM 357 CB SER A 21 20.461 -18.829 -13.582 1.00 1.50 C ATOM 358 OG SER A 21 19.699 -18.130 -14.551 1.00 44.42 O ATOM 0 H SER A 21 18.639 -17.813 -11.915 1.00 31.33 H new ATOM 0 HA SER A 21 21.546 -18.356 -11.788 1.00 21.32 H new ATOM 0 HB2 SER A 21 21.422 -19.117 -14.009 1.00 1.50 H new ATOM 0 HB3 SER A 21 19.947 -19.749 -13.305 1.00 1.50 H new ATOM 0 HG SER A 21 19.570 -18.699 -15.338 1.00 44.42 H new ATOM 364 N PRO A 22 22.251 -16.257 -13.077 1.00 74.25 N ATOM 365 CA PRO A 22 22.691 -14.922 -13.491 1.00 43.32 C ATOM 366 C PRO A 22 22.144 -14.528 -14.859 1.00 34.41 C ATOM 367 O PRO A 22 22.277 -15.273 -15.829 1.00 41.43 O ATOM 368 CB PRO A 22 24.216 -15.051 -13.543 1.00 33.33 C ATOM 369 CG PRO A 22 24.465 -16.501 -13.780 1.00 52.20 C ATOM 370 CD PRO A 22 23.354 -17.232 -13.078 1.00 62.22 C ATOM 0 HA PRO A 22 22.337 -14.148 -12.810 1.00 43.32 H new ATOM 0 HB2 PRO A 22 24.638 -14.441 -14.342 1.00 33.33 H new ATOM 0 HB3 PRO A 22 24.674 -14.718 -12.612 1.00 33.33 H new ATOM 0 HG2 PRO A 22 24.468 -16.727 -14.846 1.00 52.20 H new ATOM 0 HG3 PRO A 22 25.437 -16.799 -13.388 1.00 52.20 H new ATOM 0 HD2 PRO A 22 23.081 -18.147 -13.603 1.00 62.22 H new ATOM 0 HD3 PRO A 22 23.638 -17.518 -12.065 1.00 62.22 H new ATOM 378 N GLY A 23 21.527 -13.353 -14.929 1.00 15.44 N ATOM 379 CA GLY A 23 20.968 -12.881 -16.182 1.00 63.03 C ATOM 380 C GLY A 23 19.480 -13.148 -16.291 1.00 62.13 C ATOM 381 O GLY A 23 18.845 -12.762 -17.272 1.00 34.43 O ATOM 0 H GLY A 23 21.404 -12.719 -14.140 1.00 15.44 H new ATOM 0 HA2 GLY A 23 21.150 -11.810 -16.277 1.00 63.03 H new ATOM 0 HA3 GLY A 23 21.483 -13.366 -17.011 1.00 63.03 H new ATOM 385 N GLU A 24 18.924 -13.812 -15.282 1.00 41.44 N ATOM 386 CA GLU A 24 17.502 -14.132 -15.271 1.00 55.24 C ATOM 387 C GLU A 24 16.687 -12.972 -14.704 1.00 63.53 C ATOM 388 O GLU A 24 17.212 -12.126 -13.982 1.00 23.41 O ATOM 389 CB GLU A 24 17.247 -15.398 -14.450 1.00 43.33 C ATOM 390 CG GLU A 24 17.296 -16.675 -15.271 1.00 60.51 C ATOM 391 CD GLU A 24 16.097 -16.827 -16.186 1.00 74.13 C ATOM 392 OE1 GLU A 24 16.099 -16.213 -17.274 1.00 4.33 O ATOM 393 OE2 GLU A 24 15.155 -17.559 -15.816 1.00 25.24 O ATOM 0 H GLU A 24 19.437 -14.138 -14.463 1.00 41.44 H new ATOM 0 HA GLU A 24 17.187 -14.306 -16.300 1.00 55.24 H new ATOM 0 HB2 GLU A 24 17.988 -15.460 -13.653 1.00 43.33 H new ATOM 0 HB3 GLU A 24 16.271 -15.320 -13.972 1.00 43.33 H new ATOM 0 HG2 GLU A 24 18.208 -16.683 -15.869 1.00 60.51 H new ATOM 0 HG3 GLU A 24 17.347 -17.532 -14.600 1.00 60.51 H new ATOM 400 N ASN A 25 15.401 -12.941 -15.038 1.00 62.23 N ATOM 401 CA ASN A 25 14.514 -11.886 -14.564 1.00 13.33 C ATOM 402 C ASN A 25 13.657 -12.377 -13.400 1.00 45.14 C ATOM 403 O ASN A 25 13.059 -13.451 -13.466 1.00 71.41 O ATOM 404 CB ASN A 25 13.616 -11.396 -15.702 1.00 14.05 C ATOM 405 CG ASN A 25 14.411 -10.873 -16.882 1.00 2.11 C ATOM 406 OD1 ASN A 25 15.276 -11.566 -17.418 1.00 10.01 O ATOM 407 ND2 ASN A 25 14.122 -9.644 -17.292 1.00 55.42 N ATOM 0 H ASN A 25 14.950 -13.634 -15.635 1.00 62.23 H new ATOM 0 HA ASN A 25 15.130 -11.058 -14.214 1.00 13.33 H new ATOM 0 HB2 ASN A 25 12.975 -12.213 -16.033 1.00 14.05 H new ATOM 0 HB3 ASN A 25 12.961 -10.608 -15.331 1.00 14.05 H new ATOM 0 HD21 ASN A 25 14.625 -9.238 -18.081 1.00 55.42 H new ATOM 0 HD22 ASN A 25 13.397 -9.105 -16.818 1.00 55.42 H new ATOM 414 N LEU A 26 13.603 -11.583 -12.337 1.00 23.24 N ATOM 415 CA LEU A 26 12.820 -11.936 -11.158 1.00 34.11 C ATOM 416 C LEU A 26 11.808 -10.843 -10.829 1.00 4.41 C ATOM 417 O LEU A 26 11.955 -9.698 -11.257 1.00 63.05 O ATOM 418 CB LEU A 26 13.741 -12.171 -9.960 1.00 24.20 C ATOM 419 CG LEU A 26 14.643 -13.403 -10.039 1.00 24.42 C ATOM 420 CD1 LEU A 26 13.838 -14.630 -10.437 1.00 74.14 C ATOM 421 CD2 LEU A 26 15.782 -13.169 -11.021 1.00 2.15 C ATOM 0 H LEU A 26 14.092 -10.691 -12.267 1.00 23.24 H new ATOM 0 HA LEU A 26 12.277 -12.855 -11.376 1.00 34.11 H new ATOM 0 HB2 LEU A 26 14.372 -11.291 -9.834 1.00 24.20 H new ATOM 0 HB3 LEU A 26 13.125 -12.253 -9.064 1.00 24.20 H new ATOM 0 HG LEU A 26 15.071 -13.579 -9.052 1.00 24.42 H new ATOM 0 HD11 LEU A 26 14.497 -15.497 -10.488 1.00 74.14 H new ATOM 0 HD12 LEU A 26 13.059 -14.810 -9.696 1.00 74.14 H new ATOM 0 HD13 LEU A 26 13.380 -14.464 -11.412 1.00 74.14 H new ATOM 0 HD21 LEU A 26 16.413 -14.056 -11.064 1.00 2.15 H new ATOM 0 HD22 LEU A 26 15.373 -12.966 -12.011 1.00 2.15 H new ATOM 0 HD23 LEU A 26 16.376 -12.316 -10.692 1.00 2.15 H new ATOM 433 N SER A 27 10.783 -11.203 -10.064 1.00 10.34 N ATOM 434 CA SER A 27 9.746 -10.253 -9.678 1.00 41.30 C ATOM 435 C SER A 27 9.852 -9.904 -8.196 1.00 62.44 C ATOM 436 O SER A 27 9.624 -10.750 -7.331 1.00 62.31 O ATOM 437 CB SER A 27 8.361 -10.827 -9.981 1.00 13.33 C ATOM 438 OG SER A 27 7.537 -9.863 -10.614 1.00 72.31 O ATOM 0 H SER A 27 10.648 -12.146 -9.699 1.00 10.34 H new ATOM 0 HA SER A 27 9.889 -9.342 -10.258 1.00 41.30 H new ATOM 0 HB2 SER A 27 8.459 -11.703 -10.622 1.00 13.33 H new ATOM 0 HB3 SER A 27 7.891 -11.160 -9.055 1.00 13.33 H new ATOM 0 HG SER A 27 7.914 -9.635 -11.490 1.00 72.31 H new ATOM 444 N ILE A 28 10.200 -8.654 -7.913 1.00 12.24 N ATOM 445 CA ILE A 28 10.335 -8.193 -6.537 1.00 3.35 C ATOM 446 C ILE A 28 8.975 -8.084 -5.857 1.00 33.03 C ATOM 447 O ILE A 28 7.985 -7.703 -6.483 1.00 1.40 O ATOM 448 CB ILE A 28 11.042 -6.826 -6.468 1.00 14.22 C ATOM 449 CG1 ILE A 28 12.454 -6.927 -7.047 1.00 71.35 C ATOM 450 CG2 ILE A 28 11.087 -6.325 -5.032 1.00 2.20 C ATOM 451 CD1 ILE A 28 13.378 -7.810 -6.238 1.00 15.05 C ATOM 0 H ILE A 28 10.394 -7.942 -8.618 1.00 12.24 H new ATOM 0 HA ILE A 28 10.941 -8.933 -6.015 1.00 3.35 H new ATOM 0 HB ILE A 28 10.476 -6.111 -7.065 1.00 14.22 H new ATOM 0 HG12 ILE A 28 12.394 -7.314 -8.064 1.00 71.35 H new ATOM 0 HG13 ILE A 28 12.884 -5.927 -7.111 1.00 71.35 H new ATOM 0 HG21 ILE A 28 11.589 -5.358 -5.000 1.00 2.20 H new ATOM 0 HG22 ILE A 28 10.071 -6.219 -4.652 1.00 2.20 H new ATOM 0 HG23 ILE A 28 11.633 -7.039 -4.415 1.00 2.20 H new ATOM 0 HD11 ILE A 28 14.361 -7.835 -6.708 1.00 15.05 H new ATOM 0 HD12 ILE A 28 13.469 -7.412 -5.227 1.00 15.05 H new ATOM 0 HD13 ILE A 28 12.971 -8.820 -6.195 1.00 15.05 H new ATOM 463 N CYS A 29 8.933 -8.420 -4.572 1.00 50.12 N ATOM 464 CA CYS A 29 7.693 -8.359 -3.806 1.00 23.21 C ATOM 465 C CYS A 29 7.851 -7.455 -2.588 1.00 20.45 C ATOM 466 O CYS A 29 6.918 -6.753 -2.198 1.00 45.05 O ATOM 467 CB CYS A 29 7.273 -9.762 -3.365 1.00 0.25 C ATOM 468 SG CYS A 29 7.282 -10.988 -4.694 1.00 2.33 S ATOM 0 H CYS A 29 9.743 -8.737 -4.039 1.00 50.12 H new ATOM 0 HA CYS A 29 6.918 -7.941 -4.448 1.00 23.21 H new ATOM 0 HB2 CYS A 29 7.941 -10.097 -2.572 1.00 0.25 H new ATOM 0 HB3 CYS A 29 6.271 -9.712 -2.938 1.00 0.25 H new ATOM 0 HG CYS A 29 8.247 -10.722 -5.523 1.00 2.33 H new ATOM 474 N ALA A 30 9.037 -7.480 -1.989 1.00 2.04 N ATOM 475 CA ALA A 30 9.317 -6.663 -0.815 1.00 2.25 C ATOM 476 C ALA A 30 10.800 -6.701 -0.460 1.00 33.54 C ATOM 477 O ALA A 30 11.571 -7.455 -1.054 1.00 63.01 O ATOM 478 CB ALA A 30 8.478 -7.129 0.366 1.00 74.14 C ATOM 0 H ALA A 30 9.819 -8.057 -2.298 1.00 2.04 H new ATOM 0 HA ALA A 30 9.052 -5.632 -1.050 1.00 2.25 H new ATOM 0 HB1 ALA A 30 8.698 -6.510 1.235 1.00 74.14 H new ATOM 0 HB2 ALA A 30 7.420 -7.043 0.117 1.00 74.14 H new ATOM 0 HB3 ALA A 30 8.714 -8.169 0.592 1.00 74.14 H new ATOM 484 N HIS A 31 11.192 -5.884 0.512 1.00 24.24 N ATOM 485 CA HIS A 31 12.584 -5.825 0.946 1.00 33.33 C ATOM 486 C HIS A 31 12.689 -5.993 2.459 1.00 15.22 C ATOM 487 O HIS A 31 11.677 -6.082 3.155 1.00 31.33 O ATOM 488 CB HIS A 31 13.216 -4.499 0.523 1.00 22.14 C ATOM 489 CG HIS A 31 12.745 -3.327 1.328 1.00 73.11 C ATOM 490 ND1 HIS A 31 13.604 -2.448 1.952 1.00 44.22 N ATOM 491 CD2 HIS A 31 11.494 -2.891 1.607 1.00 3.44 C ATOM 492 CE1 HIS A 31 12.903 -1.522 2.582 1.00 62.23 C ATOM 493 NE2 HIS A 31 11.620 -1.768 2.388 1.00 11.11 N ATOM 0 H HIS A 31 10.566 -5.254 1.014 1.00 24.24 H new ATOM 0 HA HIS A 31 13.123 -6.644 0.469 1.00 33.33 H new ATOM 0 HB2 HIS A 31 14.300 -4.578 0.611 1.00 22.14 H new ATOM 0 HB3 HIS A 31 12.994 -4.319 -0.529 1.00 22.14 H new ATOM 0 HD2 HIS A 31 10.570 -3.342 1.277 1.00 3.44 H new ATOM 0 HE1 HIS A 31 13.310 -0.704 3.157 1.00 62.23 H new ATOM 0 HE2 HIS A 31 10.848 -1.214 2.758 1.00 11.11 H new ATOM 501 N TYR A 32 13.918 -6.035 2.961 1.00 73.21 N ATOM 502 CA TYR A 32 14.154 -6.195 4.391 1.00 65.43 C ATOM 503 C TYR A 32 15.272 -5.271 4.865 1.00 70.23 C ATOM 504 O TYR A 32 16.454 -5.570 4.694 1.00 1.20 O ATOM 505 CB TYR A 32 14.509 -7.649 4.711 1.00 41.54 C ATOM 506 CG TYR A 32 14.418 -7.984 6.182 1.00 21.11 C ATOM 507 CD1 TYR A 32 13.193 -7.993 6.838 1.00 2.32 C ATOM 508 CD2 TYR A 32 15.557 -8.292 6.917 1.00 53.45 C ATOM 509 CE1 TYR A 32 13.105 -8.298 8.183 1.00 62.03 C ATOM 510 CE2 TYR A 32 15.478 -8.600 8.261 1.00 51.41 C ATOM 511 CZ TYR A 32 14.250 -8.601 8.889 1.00 22.34 C ATOM 512 OH TYR A 32 14.168 -8.906 10.229 1.00 73.12 O ATOM 0 H TYR A 32 14.766 -5.961 2.399 1.00 73.21 H new ATOM 0 HA TYR A 32 13.238 -5.927 4.917 1.00 65.43 H new ATOM 0 HB2 TYR A 32 13.842 -8.308 4.155 1.00 41.54 H new ATOM 0 HB3 TYR A 32 15.522 -7.852 4.363 1.00 41.54 H new ATOM 0 HD1 TYR A 32 12.294 -7.758 6.287 1.00 2.32 H new ATOM 0 HD2 TYR A 32 16.520 -8.290 6.429 1.00 53.45 H new ATOM 0 HE1 TYR A 32 12.145 -8.299 8.678 1.00 62.03 H new ATOM 0 HE2 TYR A 32 16.373 -8.839 8.817 1.00 51.41 H new ATOM 0 HH TYR A 32 15.064 -9.096 10.577 1.00 73.12 H new ATOM 522 N ASP A 33 14.889 -4.148 5.461 1.00 35.04 N ATOM 523 CA ASP A 33 15.857 -3.179 5.963 1.00 73.44 C ATOM 524 C ASP A 33 16.828 -2.763 4.862 1.00 12.34 C ATOM 525 O ASP A 33 17.957 -2.356 5.138 1.00 32.23 O ATOM 526 CB ASP A 33 16.628 -3.764 7.147 1.00 43.32 C ATOM 527 CG ASP A 33 17.461 -2.721 7.866 1.00 20.04 C ATOM 528 OD1 ASP A 33 17.125 -1.522 7.769 1.00 34.02 O ATOM 529 OD2 ASP A 33 18.449 -3.104 8.527 1.00 14.14 O ATOM 0 H ASP A 33 13.915 -3.885 5.609 1.00 35.04 H new ATOM 0 HA ASP A 33 15.313 -2.295 6.296 1.00 73.44 H new ATOM 0 HB2 ASP A 33 15.925 -4.211 7.850 1.00 43.32 H new ATOM 0 HB3 ASP A 33 17.278 -4.564 6.794 1.00 43.32 H new ATOM 534 N TYR A 34 16.382 -2.868 3.616 1.00 54.53 N ATOM 535 CA TYR A 34 17.212 -2.505 2.474 1.00 63.04 C ATOM 536 C TYR A 34 18.442 -3.404 2.387 1.00 74.43 C ATOM 537 O TYR A 34 19.474 -3.011 1.846 1.00 43.13 O ATOM 538 CB TYR A 34 17.644 -1.041 2.574 1.00 32.04 C ATOM 539 CG TYR A 34 16.497 -0.087 2.821 1.00 32.33 C ATOM 540 CD1 TYR A 34 16.066 0.192 4.112 1.00 33.04 C ATOM 541 CD2 TYR A 34 15.844 0.534 1.764 1.00 74.30 C ATOM 542 CE1 TYR A 34 15.018 1.062 4.343 1.00 13.10 C ATOM 543 CE2 TYR A 34 14.796 1.406 1.985 1.00 12.32 C ATOM 544 CZ TYR A 34 14.386 1.667 3.276 1.00 4.13 C ATOM 545 OH TYR A 34 13.342 2.535 3.501 1.00 60.43 O ATOM 0 H TYR A 34 15.450 -3.202 3.371 1.00 54.53 H new ATOM 0 HA TYR A 34 16.619 -2.641 1.570 1.00 63.04 H new ATOM 0 HB2 TYR A 34 18.370 -0.939 3.380 1.00 32.04 H new ATOM 0 HB3 TYR A 34 18.150 -0.756 1.652 1.00 32.04 H new ATOM 0 HD1 TYR A 34 16.559 -0.279 4.949 1.00 33.04 H new ATOM 0 HD2 TYR A 34 16.161 0.331 0.752 1.00 74.30 H new ATOM 0 HE1 TYR A 34 14.695 1.267 5.353 1.00 13.10 H new ATOM 0 HE2 TYR A 34 14.300 1.881 1.151 1.00 12.32 H new ATOM 0 HH TYR A 34 13.009 2.875 2.644 1.00 60.43 H new ATOM 555 N GLU A 35 18.321 -4.615 2.924 1.00 55.54 N ATOM 556 CA GLU A 35 19.422 -5.570 2.907 1.00 34.41 C ATOM 557 C GLU A 35 19.066 -6.796 2.070 1.00 41.54 C ATOM 558 O GLU A 35 19.859 -7.246 1.242 1.00 35.04 O ATOM 559 CB GLU A 35 19.776 -5.999 4.333 1.00 52.23 C ATOM 560 CG GLU A 35 19.723 -4.863 5.340 1.00 12.15 C ATOM 561 CD GLU A 35 20.634 -3.709 4.968 1.00 72.42 C ATOM 562 OE1 GLU A 35 21.477 -3.888 4.064 1.00 60.41 O ATOM 563 OE2 GLU A 35 20.504 -2.629 5.579 1.00 1.44 O ATOM 0 H GLU A 35 17.472 -4.957 3.375 1.00 55.54 H new ATOM 0 HA GLU A 35 20.286 -5.082 2.456 1.00 34.41 H new ATOM 0 HB2 GLU A 35 19.090 -6.785 4.648 1.00 52.23 H new ATOM 0 HB3 GLU A 35 20.777 -6.430 4.336 1.00 52.23 H new ATOM 0 HG2 GLU A 35 18.698 -4.501 5.419 1.00 12.15 H new ATOM 0 HG3 GLU A 35 20.005 -5.241 6.323 1.00 12.15 H new ATOM 570 N TRP A 36 17.870 -7.329 2.291 1.00 23.13 N ATOM 571 CA TRP A 36 17.409 -8.503 1.558 1.00 44.42 C ATOM 572 C TRP A 36 16.213 -8.159 0.677 1.00 2.01 C ATOM 573 O TRP A 36 15.396 -7.308 1.028 1.00 11.40 O ATOM 574 CB TRP A 36 17.038 -9.623 2.530 1.00 75.41 C ATOM 575 CG TRP A 36 18.184 -10.074 3.383 1.00 22.42 C ATOM 576 CD1 TRP A 36 18.578 -9.539 4.576 1.00 3.01 C ATOM 577 CD2 TRP A 36 19.085 -11.152 3.108 1.00 65.24 C ATOM 578 NE1 TRP A 36 19.671 -10.219 5.059 1.00 55.03 N ATOM 579 CE2 TRP A 36 20.001 -11.214 4.177 1.00 54.22 C ATOM 580 CE3 TRP A 36 19.207 -12.072 2.063 1.00 24.41 C ATOM 581 CZ2 TRP A 36 21.022 -12.158 4.228 1.00 23.22 C ATOM 582 CZ3 TRP A 36 20.222 -13.009 2.115 1.00 2.14 C ATOM 583 CH2 TRP A 36 21.118 -13.047 3.192 1.00 43.20 C ATOM 0 H TRP A 36 17.202 -6.967 2.972 1.00 23.13 H new ATOM 0 HA TRP A 36 18.222 -8.843 0.917 1.00 44.42 H new ATOM 0 HB2 TRP A 36 16.228 -9.282 3.174 1.00 75.41 H new ATOM 0 HB3 TRP A 36 16.659 -10.474 1.964 1.00 75.41 H new ATOM 0 HD1 TRP A 36 18.101 -8.704 5.068 1.00 3.01 H new ATOM 0 HE1 TRP A 36 20.157 -10.016 5.932 1.00 55.03 H new ATOM 0 HE3 TRP A 36 18.520 -12.051 1.230 1.00 24.41 H new ATOM 0 HZ2 TRP A 36 21.714 -12.188 5.056 1.00 23.22 H new ATOM 0 HZ3 TRP A 36 20.326 -13.724 1.312 1.00 2.14 H new ATOM 0 HH2 TRP A 36 21.899 -13.792 3.205 1.00 43.20 H new ATOM 594 N PHE A 37 16.116 -8.826 -0.468 1.00 71.11 N ATOM 595 CA PHE A 37 15.019 -8.590 -1.399 1.00 70.15 C ATOM 596 C PHE A 37 14.269 -9.885 -1.696 1.00 31.42 C ATOM 597 O PHE A 37 14.869 -10.957 -1.780 1.00 63.23 O ATOM 598 CB PHE A 37 15.548 -7.985 -2.701 1.00 45.12 C ATOM 599 CG PHE A 37 15.192 -6.537 -2.878 1.00 13.44 C ATOM 600 CD1 PHE A 37 13.869 -6.125 -2.836 1.00 22.22 C ATOM 601 CD2 PHE A 37 16.179 -5.587 -3.085 1.00 13.53 C ATOM 602 CE1 PHE A 37 13.538 -4.793 -2.999 1.00 23.24 C ATOM 603 CE2 PHE A 37 15.854 -4.253 -3.248 1.00 12.12 C ATOM 604 CZ PHE A 37 14.532 -3.856 -3.204 1.00 12.24 C ATOM 0 H PHE A 37 16.784 -9.534 -0.773 1.00 71.11 H new ATOM 0 HA PHE A 37 14.327 -7.888 -0.934 1.00 70.15 H new ATOM 0 HB2 PHE A 37 16.633 -8.090 -2.726 1.00 45.12 H new ATOM 0 HB3 PHE A 37 15.153 -8.553 -3.543 1.00 45.12 H new ATOM 0 HD1 PHE A 37 13.088 -6.853 -2.674 1.00 22.22 H new ATOM 0 HD2 PHE A 37 17.214 -5.892 -3.119 1.00 13.53 H new ATOM 0 HE1 PHE A 37 12.503 -4.485 -2.966 1.00 23.24 H new ATOM 0 HE2 PHE A 37 16.633 -3.522 -3.410 1.00 12.12 H new ATOM 0 HZ PHE A 37 14.276 -2.814 -3.330 1.00 12.24 H new ATOM 614 N ILE A 38 12.954 -9.778 -1.852 1.00 12.12 N ATOM 615 CA ILE A 38 12.122 -10.940 -2.139 1.00 14.31 C ATOM 616 C ILE A 38 11.763 -11.007 -3.620 1.00 1.44 C ATOM 617 O ILE A 38 10.838 -10.336 -4.076 1.00 11.44 O ATOM 618 CB ILE A 38 10.825 -10.922 -1.309 1.00 34.35 C ATOM 619 CG1 ILE A 38 11.130 -10.566 0.148 1.00 43.44 C ATOM 620 CG2 ILE A 38 10.123 -12.270 -1.393 1.00 43.35 C ATOM 621 CD1 ILE A 38 12.128 -11.496 0.801 1.00 32.31 C ATOM 0 H ILE A 38 12.442 -8.899 -1.784 1.00 12.12 H new ATOM 0 HA ILE A 38 12.705 -11.820 -1.869 1.00 14.31 H new ATOM 0 HB ILE A 38 10.161 -10.161 -1.719 1.00 34.35 H new ATOM 0 HG12 ILE A 38 11.513 -9.546 0.192 1.00 43.44 H new ATOM 0 HG13 ILE A 38 10.202 -10.583 0.720 1.00 43.44 H new ATOM 0 HG21 ILE A 38 9.208 -12.241 -0.801 1.00 43.35 H new ATOM 0 HG22 ILE A 38 9.876 -12.488 -2.432 1.00 43.35 H new ATOM 0 HG23 ILE A 38 10.781 -13.048 -1.006 1.00 43.35 H new ATOM 0 HD11 ILE A 38 12.296 -11.184 1.832 1.00 32.31 H new ATOM 0 HD12 ILE A 38 11.739 -12.514 0.789 1.00 32.31 H new ATOM 0 HD13 ILE A 38 13.070 -11.462 0.253 1.00 32.31 H new ATOM 633 N ALA A 39 12.501 -11.822 -4.365 1.00 62.42 N ATOM 634 CA ALA A 39 12.259 -11.981 -5.794 1.00 11.52 C ATOM 635 C ALA A 39 11.707 -13.367 -6.107 1.00 32.12 C ATOM 636 O ALA A 39 12.162 -14.368 -5.552 1.00 54.22 O ATOM 637 CB ALA A 39 13.539 -11.731 -6.577 1.00 42.11 C ATOM 0 H ALA A 39 13.272 -12.383 -4.003 1.00 62.42 H new ATOM 0 HA ALA A 39 11.513 -11.246 -6.095 1.00 11.52 H new ATOM 0 HB1 ALA A 39 13.344 -11.853 -7.642 1.00 42.11 H new ATOM 0 HB2 ALA A 39 13.890 -10.717 -6.386 1.00 42.11 H new ATOM 0 HB3 ALA A 39 14.302 -12.444 -6.264 1.00 42.11 H new ATOM 643 N LYS A 40 10.723 -13.420 -6.998 1.00 41.44 N ATOM 644 CA LYS A 40 10.108 -14.684 -7.387 1.00 3.55 C ATOM 645 C LYS A 40 10.427 -15.020 -8.840 1.00 14.21 C ATOM 646 O LYS A 40 10.746 -14.148 -9.648 1.00 42.12 O ATOM 647 CB LYS A 40 8.592 -14.619 -7.187 1.00 63.31 C ATOM 648 CG LYS A 40 7.974 -13.310 -7.645 1.00 15.12 C ATOM 649 CD LYS A 40 6.472 -13.440 -7.836 1.00 14.45 C ATOM 650 CE LYS A 40 5.736 -13.413 -6.504 1.00 44.33 C ATOM 651 NZ LYS A 40 4.596 -14.370 -6.481 1.00 70.12 N ATOM 0 H LYS A 40 10.334 -12.601 -7.465 1.00 41.44 H new ATOM 0 HA LYS A 40 10.518 -15.470 -6.753 1.00 3.55 H new ATOM 0 HB2 LYS A 40 8.127 -15.441 -7.731 1.00 63.31 H new ATOM 0 HB3 LYS A 40 8.367 -14.768 -6.131 1.00 63.31 H new ATOM 0 HG2 LYS A 40 8.182 -12.532 -6.911 1.00 15.12 H new ATOM 0 HG3 LYS A 40 8.435 -12.997 -8.582 1.00 15.12 H new ATOM 0 HD2 LYS A 40 6.113 -12.628 -8.468 1.00 14.45 H new ATOM 0 HD3 LYS A 40 6.250 -14.371 -8.357 1.00 14.45 H new ATOM 0 HE2 LYS A 40 6.431 -13.656 -5.700 1.00 44.33 H new ATOM 0 HE3 LYS A 40 5.368 -12.405 -6.313 1.00 44.33 H new ATOM 0 HZ1 LYS A 40 4.121 -14.322 -5.557 1.00 70.12 H new ATOM 0 HZ2 LYS A 40 3.920 -14.123 -7.232 1.00 70.12 H new ATOM 0 HZ3 LYS A 40 4.950 -15.335 -6.638 1.00 70.12 H new ATOM 665 N PRO A 41 10.337 -16.314 -9.182 1.00 53.42 N ATOM 666 CA PRO A 41 10.609 -16.794 -10.540 1.00 44.11 C ATOM 667 C PRO A 41 9.541 -16.355 -11.536 1.00 1.13 C ATOM 668 O PRO A 41 8.345 -16.507 -11.284 1.00 43.13 O ATOM 669 CB PRO A 41 10.603 -18.317 -10.386 1.00 11.24 C ATOM 670 CG PRO A 41 9.745 -18.573 -9.195 1.00 23.13 C ATOM 671 CD PRO A 41 9.961 -17.407 -8.270 1.00 62.02 C ATOM 0 HA PRO A 41 11.544 -16.395 -10.933 1.00 44.11 H new ATOM 0 HB2 PRO A 41 10.202 -18.803 -11.275 1.00 11.24 H new ATOM 0 HB3 PRO A 41 11.611 -18.704 -10.238 1.00 11.24 H new ATOM 0 HG2 PRO A 41 8.696 -18.656 -9.480 1.00 23.13 H new ATOM 0 HG3 PRO A 41 10.019 -19.511 -8.711 1.00 23.13 H new ATOM 0 HD2 PRO A 41 9.059 -17.168 -7.707 1.00 62.02 H new ATOM 0 HD3 PRO A 41 10.746 -17.611 -7.542 1.00 62.02 H new ATOM 679 N ILE A 42 9.980 -15.811 -12.666 1.00 11.13 N ATOM 680 CA ILE A 42 9.060 -15.352 -13.699 1.00 44.24 C ATOM 681 C ILE A 42 8.752 -16.465 -14.695 1.00 3.10 C ATOM 682 O ILE A 42 7.655 -16.532 -15.246 1.00 74.12 O ATOM 683 CB ILE A 42 9.629 -14.140 -14.461 1.00 63.10 C ATOM 684 CG1 ILE A 42 10.096 -13.065 -13.477 1.00 64.24 C ATOM 685 CG2 ILE A 42 8.586 -13.576 -15.414 1.00 61.21 C ATOM 686 CD1 ILE A 42 10.689 -11.847 -14.150 1.00 42.02 C ATOM 0 H ILE A 42 10.966 -15.677 -12.889 1.00 11.13 H new ATOM 0 HA ILE A 42 8.141 -15.055 -13.194 1.00 44.24 H new ATOM 0 HB ILE A 42 10.488 -14.468 -15.046 1.00 63.10 H new ATOM 0 HG12 ILE A 42 9.251 -12.755 -12.862 1.00 64.24 H new ATOM 0 HG13 ILE A 42 10.838 -13.496 -12.805 1.00 64.24 H new ATOM 0 HG21 ILE A 42 9.003 -12.720 -15.945 1.00 61.21 H new ATOM 0 HG22 ILE A 42 8.297 -14.343 -16.132 1.00 61.21 H new ATOM 0 HG23 ILE A 42 7.709 -13.260 -14.848 1.00 61.21 H new ATOM 0 HD11 ILE A 42 10.998 -11.127 -13.392 1.00 42.02 H new ATOM 0 HD12 ILE A 42 11.554 -12.144 -14.743 1.00 42.02 H new ATOM 0 HD13 ILE A 42 9.943 -11.391 -14.800 1.00 42.02 H new ATOM 769 N PRO A 47 8.493 -18.378 -4.413 1.00 53.34 N ATOM 770 CA PRO A 47 9.052 -17.154 -3.831 1.00 34.12 C ATOM 771 C PRO A 47 10.141 -17.446 -2.805 1.00 2.13 C ATOM 772 O PRO A 47 9.887 -18.071 -1.776 1.00 3.11 O ATOM 773 CB PRO A 47 7.844 -16.499 -3.157 1.00 11.55 C ATOM 774 CG PRO A 47 6.915 -17.626 -2.863 1.00 63.04 C ATOM 775 CD PRO A 47 7.108 -18.621 -3.974 1.00 43.14 C ATOM 0 HA PRO A 47 9.531 -16.526 -4.583 1.00 34.12 H new ATOM 0 HB2 PRO A 47 8.134 -15.978 -2.245 1.00 11.55 H new ATOM 0 HB3 PRO A 47 7.378 -15.762 -3.811 1.00 11.55 H new ATOM 0 HG2 PRO A 47 7.139 -18.074 -1.895 1.00 63.04 H new ATOM 0 HG3 PRO A 47 5.882 -17.280 -2.824 1.00 63.04 H new ATOM 0 HD2 PRO A 47 6.971 -19.644 -3.625 1.00 43.14 H new ATOM 0 HD3 PRO A 47 6.396 -18.462 -4.784 1.00 43.14 H new ATOM 783 N GLY A 48 11.356 -16.989 -3.092 1.00 3.41 N ATOM 784 CA GLY A 48 12.466 -17.210 -2.184 1.00 22.43 C ATOM 785 C GLY A 48 13.043 -15.916 -1.646 1.00 11.13 C ATOM 786 O GLY A 48 12.436 -14.853 -1.783 1.00 43.33 O ATOM 0 H GLY A 48 11.591 -16.469 -3.938 1.00 3.41 H new ATOM 0 HA2 GLY A 48 12.132 -17.829 -1.351 1.00 22.43 H new ATOM 0 HA3 GLY A 48 13.249 -17.766 -2.701 1.00 22.43 H new ATOM 790 N LEU A 49 14.217 -16.004 -1.030 1.00 14.01 N ATOM 791 CA LEU A 49 14.875 -14.830 -0.467 1.00 63.22 C ATOM 792 C LEU A 49 16.249 -14.623 -1.097 1.00 1.43 C ATOM 793 O LEU A 49 17.092 -15.520 -1.084 1.00 33.13 O ATOM 794 CB LEU A 49 15.013 -14.976 1.049 1.00 24.42 C ATOM 795 CG LEU A 49 14.820 -13.699 1.867 1.00 11.01 C ATOM 796 CD1 LEU A 49 14.106 -14.005 3.175 1.00 62.24 C ATOM 797 CD2 LEU A 49 16.160 -13.028 2.133 1.00 34.00 C ATOM 0 H LEU A 49 14.732 -16.876 -0.908 1.00 14.01 H new ATOM 0 HA LEU A 49 14.259 -13.958 -0.687 1.00 63.22 H new ATOM 0 HB2 LEU A 49 14.288 -15.715 1.390 1.00 24.42 H new ATOM 0 HB3 LEU A 49 16.003 -15.377 1.267 1.00 24.42 H new ATOM 0 HG LEU A 49 14.200 -13.012 1.291 1.00 11.01 H new ATOM 0 HD11 LEU A 49 13.978 -13.084 3.744 1.00 62.24 H new ATOM 0 HD12 LEU A 49 13.129 -14.440 2.963 1.00 62.24 H new ATOM 0 HD13 LEU A 49 14.699 -14.711 3.757 1.00 62.24 H new ATOM 0 HD21 LEU A 49 16.003 -12.121 2.716 1.00 34.00 H new ATOM 0 HD22 LEU A 49 16.804 -13.710 2.688 1.00 34.00 H new ATOM 0 HD23 LEU A 49 16.633 -12.772 1.185 1.00 34.00 H new ATOM 809 N VAL A 50 16.469 -13.432 -1.646 1.00 21.13 N ATOM 810 CA VAL A 50 17.742 -13.105 -2.277 1.00 52.12 C ATOM 811 C VAL A 50 18.226 -11.723 -1.854 1.00 10.31 C ATOM 812 O VAL A 50 17.475 -10.747 -1.856 1.00 42.14 O ATOM 813 CB VAL A 50 17.635 -13.151 -3.813 1.00 34.20 C ATOM 814 CG1 VAL A 50 16.565 -12.187 -4.303 1.00 71.21 C ATOM 815 CG2 VAL A 50 18.980 -12.837 -4.450 1.00 53.22 C ATOM 0 H VAL A 50 15.782 -12.678 -1.666 1.00 21.13 H new ATOM 0 HA VAL A 50 18.461 -13.855 -1.947 1.00 52.12 H new ATOM 0 HB VAL A 50 17.345 -14.159 -4.110 1.00 34.20 H new ATOM 0 HG11 VAL A 50 16.504 -12.233 -5.390 1.00 71.21 H new ATOM 0 HG12 VAL A 50 15.602 -12.463 -3.873 1.00 71.21 H new ATOM 0 HG13 VAL A 50 16.821 -11.173 -3.997 1.00 71.21 H new ATOM 0 HG21 VAL A 50 18.886 -12.874 -5.535 1.00 53.22 H new ATOM 0 HG22 VAL A 50 19.302 -11.841 -4.147 1.00 53.22 H new ATOM 0 HG23 VAL A 50 19.717 -13.571 -4.124 1.00 53.22 H new ATOM 825 N PRO A 51 19.512 -11.634 -1.481 1.00 75.54 N ATOM 826 CA PRO A 51 20.126 -10.376 -1.049 1.00 51.43 C ATOM 827 C PRO A 51 20.289 -9.386 -2.198 1.00 10.12 C ATOM 828 O PRO A 51 20.390 -9.779 -3.360 1.00 22.30 O ATOM 829 CB PRO A 51 21.495 -10.812 -0.521 1.00 13.00 C ATOM 830 CG PRO A 51 21.791 -12.082 -1.241 1.00 22.12 C ATOM 831 CD PRO A 51 20.464 -12.757 -1.454 1.00 4.21 C ATOM 0 HA PRO A 51 19.515 -9.857 -0.311 1.00 51.43 H new ATOM 0 HB2 PRO A 51 22.255 -10.057 -0.721 1.00 13.00 H new ATOM 0 HB3 PRO A 51 21.473 -10.964 0.558 1.00 13.00 H new ATOM 0 HG2 PRO A 51 22.286 -11.885 -2.192 1.00 22.12 H new ATOM 0 HG3 PRO A 51 22.461 -12.714 -0.658 1.00 22.12 H new ATOM 0 HD2 PRO A 51 20.445 -13.322 -2.386 1.00 4.21 H new ATOM 0 HD3 PRO A 51 20.236 -13.458 -0.651 1.00 4.21 H new ATOM 839 N VAL A 52 20.314 -8.099 -1.865 1.00 61.22 N ATOM 840 CA VAL A 52 20.467 -7.053 -2.869 1.00 53.10 C ATOM 841 C VAL A 52 21.835 -7.127 -3.536 1.00 44.23 C ATOM 842 O VAL A 52 22.026 -6.623 -4.643 1.00 72.23 O ATOM 843 CB VAL A 52 20.283 -5.653 -2.253 1.00 70.11 C ATOM 844 CG1 VAL A 52 20.157 -4.601 -3.345 1.00 22.51 C ATOM 845 CG2 VAL A 52 19.069 -5.630 -1.337 1.00 0.13 C ATOM 0 H VAL A 52 20.230 -7.756 -0.908 1.00 61.22 H new ATOM 0 HA VAL A 52 19.692 -7.217 -3.618 1.00 53.10 H new ATOM 0 HB VAL A 52 21.165 -5.419 -1.656 1.00 70.11 H new ATOM 0 HG11 VAL A 52 20.028 -3.619 -2.891 1.00 22.51 H new ATOM 0 HG12 VAL A 52 21.059 -4.602 -3.957 1.00 22.51 H new ATOM 0 HG13 VAL A 52 19.294 -4.828 -3.971 1.00 22.51 H new ATOM 0 HG21 VAL A 52 18.954 -4.634 -0.910 1.00 0.13 H new ATOM 0 HG22 VAL A 52 18.177 -5.885 -1.909 1.00 0.13 H new ATOM 0 HG23 VAL A 52 19.205 -6.355 -0.534 1.00 0.13 H new ATOM 855 N SER A 53 22.786 -7.759 -2.856 1.00 2.35 N ATOM 856 CA SER A 53 24.140 -7.896 -3.381 1.00 34.32 C ATOM 857 C SER A 53 24.207 -9.008 -4.423 1.00 62.14 C ATOM 858 O SER A 53 25.259 -9.260 -5.012 1.00 2.52 O ATOM 859 CB SER A 53 25.123 -8.186 -2.245 1.00 41.23 C ATOM 860 OG SER A 53 24.918 -7.303 -1.156 1.00 23.12 O ATOM 0 H SER A 53 22.644 -8.185 -1.940 1.00 2.35 H new ATOM 0 HA SER A 53 24.416 -6.956 -3.859 1.00 34.32 H new ATOM 0 HB2 SER A 53 25.003 -9.216 -1.910 1.00 41.23 H new ATOM 0 HB3 SER A 53 26.145 -8.087 -2.610 1.00 41.23 H new ATOM 0 HG SER A 53 25.557 -7.510 -0.442 1.00 23.12 H new ATOM 866 N TYR A 54 23.078 -9.671 -4.646 1.00 53.44 N ATOM 867 CA TYR A 54 23.008 -10.758 -5.616 1.00 12.52 C ATOM 868 C TYR A 54 21.967 -10.462 -6.692 1.00 3.13 C ATOM 869 O TYR A 54 21.729 -11.278 -7.583 1.00 2.55 O ATOM 870 CB TYR A 54 22.672 -12.074 -4.914 1.00 32.24 C ATOM 871 CG TYR A 54 23.871 -12.749 -4.287 1.00 33.34 C ATOM 872 CD1 TYR A 54 24.575 -12.140 -3.255 1.00 34.31 C ATOM 873 CD2 TYR A 54 24.300 -13.995 -4.726 1.00 62.23 C ATOM 874 CE1 TYR A 54 25.671 -12.753 -2.679 1.00 40.23 C ATOM 875 CE2 TYR A 54 25.395 -14.616 -4.156 1.00 15.22 C ATOM 876 CZ TYR A 54 26.077 -13.991 -3.133 1.00 13.41 C ATOM 877 OH TYR A 54 27.168 -14.605 -2.563 1.00 2.11 O ATOM 0 H TYR A 54 22.198 -9.475 -4.168 1.00 53.44 H new ATOM 0 HA TYR A 54 23.983 -10.848 -6.095 1.00 12.52 H new ATOM 0 HB2 TYR A 54 21.927 -11.884 -4.141 1.00 32.24 H new ATOM 0 HB3 TYR A 54 22.218 -12.755 -5.634 1.00 32.24 H new ATOM 0 HD1 TYR A 54 24.260 -11.171 -2.897 1.00 34.31 H new ATOM 0 HD2 TYR A 54 23.768 -14.487 -5.527 1.00 62.23 H new ATOM 0 HE1 TYR A 54 26.207 -12.266 -1.878 1.00 40.23 H new ATOM 0 HE2 TYR A 54 25.715 -15.585 -4.510 1.00 15.22 H new ATOM 0 HH TYR A 54 27.320 -15.471 -2.997 1.00 2.11 H new ATOM 887 N VAL A 55 21.350 -9.288 -6.602 1.00 42.02 N ATOM 888 CA VAL A 55 20.336 -8.882 -7.568 1.00 2.22 C ATOM 889 C VAL A 55 20.483 -7.409 -7.932 1.00 42.23 C ATOM 890 O VAL A 55 21.102 -6.636 -7.200 1.00 34.31 O ATOM 891 CB VAL A 55 18.915 -9.126 -7.026 1.00 2.11 C ATOM 892 CG1 VAL A 55 18.630 -10.617 -6.926 1.00 43.33 C ATOM 893 CG2 VAL A 55 18.737 -8.449 -5.675 1.00 62.31 C ATOM 0 H VAL A 55 21.535 -8.602 -5.870 1.00 42.02 H new ATOM 0 HA VAL A 55 20.486 -9.491 -8.460 1.00 2.22 H new ATOM 0 HB VAL A 55 18.199 -8.690 -7.723 1.00 2.11 H new ATOM 0 HG11 VAL A 55 17.622 -10.770 -6.541 1.00 43.33 H new ATOM 0 HG12 VAL A 55 18.714 -11.071 -7.914 1.00 43.33 H new ATOM 0 HG13 VAL A 55 19.350 -11.081 -6.251 1.00 43.33 H new ATOM 0 HG21 VAL A 55 17.727 -8.632 -5.307 1.00 62.31 H new ATOM 0 HG22 VAL A 55 19.460 -8.854 -4.967 1.00 62.31 H new ATOM 0 HG23 VAL A 55 18.896 -7.376 -5.782 1.00 62.31 H new ATOM 903 N ARG A 56 19.910 -7.026 -9.069 1.00 22.13 N ATOM 904 CA ARG A 56 19.978 -5.645 -9.531 1.00 71.13 C ATOM 905 C ARG A 56 18.584 -5.106 -9.840 1.00 21.12 C ATOM 906 O ARG A 56 17.850 -5.680 -10.644 1.00 71.54 O ATOM 907 CB ARG A 56 20.862 -5.544 -10.776 1.00 21.44 C ATOM 908 CG ARG A 56 20.772 -4.201 -11.480 1.00 11.52 C ATOM 909 CD ARG A 56 21.639 -4.167 -12.729 1.00 11.44 C ATOM 910 NE ARG A 56 22.950 -3.579 -12.469 1.00 3.23 N ATOM 911 CZ ARG A 56 24.012 -3.780 -13.241 1.00 22.51 C ATOM 912 NH1 ARG A 56 23.918 -4.551 -14.316 1.00 15.30 N ATOM 913 NH2 ARG A 56 25.172 -3.211 -12.939 1.00 13.34 N ATOM 0 H ARG A 56 19.394 -7.653 -9.687 1.00 22.13 H new ATOM 0 HA ARG A 56 20.414 -5.043 -8.734 1.00 71.13 H new ATOM 0 HB2 ARG A 56 21.898 -5.726 -10.491 1.00 21.44 H new ATOM 0 HB3 ARG A 56 20.581 -6.331 -11.476 1.00 21.44 H new ATOM 0 HG2 ARG A 56 19.735 -3.999 -11.750 1.00 11.52 H new ATOM 0 HG3 ARG A 56 21.084 -3.410 -10.798 1.00 11.52 H new ATOM 0 HD2 ARG A 56 21.765 -5.180 -13.110 1.00 11.44 H new ATOM 0 HD3 ARG A 56 21.133 -3.595 -13.506 1.00 11.44 H new ATOM 0 HE ARG A 56 23.056 -2.981 -11.649 1.00 3.23 H new ATOM 0 HH11 ARG A 56 23.029 -4.991 -14.552 1.00 15.30 H new ATOM 0 HH12 ARG A 56 24.735 -4.704 -14.907 1.00 15.30 H new ATOM 0 HH21 ARG A 56 25.249 -2.618 -12.113 1.00 13.34 H new ATOM 0 HH22 ARG A 56 25.986 -3.367 -13.533 1.00 13.34 H new ATOM 927 N ILE A 57 18.227 -4.001 -9.195 1.00 13.14 N ATOM 928 CA ILE A 57 16.922 -3.385 -9.401 1.00 11.24 C ATOM 929 C ILE A 57 16.859 -2.667 -10.745 1.00 32.24 C ATOM 930 O ILE A 57 17.503 -1.636 -10.940 1.00 20.02 O ATOM 931 CB ILE A 57 16.590 -2.382 -8.280 1.00 35.11 C ATOM 932 CG1 ILE A 57 16.861 -3.007 -6.910 1.00 5.52 C ATOM 933 CG2 ILE A 57 15.140 -1.932 -8.385 1.00 20.04 C ATOM 934 CD1 ILE A 57 15.997 -4.212 -6.613 1.00 3.01 C ATOM 0 H ILE A 57 18.823 -3.514 -8.526 1.00 13.14 H new ATOM 0 HA ILE A 57 16.187 -4.190 -9.387 1.00 11.24 H new ATOM 0 HB ILE A 57 17.231 -1.508 -8.393 1.00 35.11 H new ATOM 0 HG12 ILE A 57 17.910 -3.300 -6.854 1.00 5.52 H new ATOM 0 HG13 ILE A 57 16.699 -2.255 -6.138 1.00 5.52 H new ATOM 0 HG21 ILE A 57 14.920 -1.224 -7.586 1.00 20.04 H new ATOM 0 HG22 ILE A 57 14.977 -1.453 -9.350 1.00 20.04 H new ATOM 0 HG23 ILE A 57 14.483 -2.797 -8.294 1.00 20.04 H new ATOM 0 HD11 ILE A 57 16.244 -4.602 -5.626 1.00 3.01 H new ATOM 0 HD12 ILE A 57 14.947 -3.921 -6.636 1.00 3.01 H new ATOM 0 HD13 ILE A 57 16.177 -4.982 -7.363 1.00 3.01 H new ATOM 946 N ILE A 58 16.078 -3.218 -11.667 1.00 75.32 N ATOM 947 CA ILE A 58 15.928 -2.629 -12.992 1.00 70.10 C ATOM 948 C ILE A 58 14.462 -2.357 -13.310 1.00 73.13 C ATOM 949 O ILE A 58 13.582 -2.595 -12.483 1.00 13.43 O ATOM 950 CB ILE A 58 16.518 -3.541 -14.084 1.00 20.12 C ATOM 951 CG1 ILE A 58 15.932 -4.950 -13.974 1.00 34.13 C ATOM 952 CG2 ILE A 58 18.035 -3.583 -13.976 1.00 50.01 C ATOM 953 CD1 ILE A 58 15.905 -5.698 -15.288 1.00 51.13 C ATOM 0 H ILE A 58 15.539 -4.072 -11.521 1.00 75.32 H new ATOM 0 HA ILE A 58 16.476 -1.687 -12.982 1.00 70.10 H new ATOM 0 HB ILE A 58 16.253 -3.133 -15.059 1.00 20.12 H new ATOM 0 HG12 ILE A 58 16.515 -5.522 -13.252 1.00 34.13 H new ATOM 0 HG13 ILE A 58 14.917 -4.883 -13.583 1.00 34.13 H new ATOM 0 HG21 ILE A 58 18.437 -4.231 -14.754 1.00 50.01 H new ATOM 0 HG22 ILE A 58 18.436 -2.577 -14.098 1.00 50.01 H new ATOM 0 HG23 ILE A 58 18.320 -3.971 -12.998 1.00 50.01 H new ATOM 0 HD11 ILE A 58 15.477 -6.689 -15.134 1.00 51.13 H new ATOM 0 HD12 ILE A 58 15.298 -5.148 -16.007 1.00 51.13 H new ATOM 0 HD13 ILE A 58 16.921 -5.797 -15.671 1.00 51.13 H new ATOM 965 N ASP A 59 14.206 -1.859 -14.515 1.00 62.32 N ATOM 966 CA ASP A 59 12.846 -1.558 -14.945 1.00 13.50 C ATOM 967 C ASP A 59 12.548 -2.199 -16.297 1.00 0.22 C ATOM 968 O ASP A 59 13.429 -2.311 -17.150 1.00 61.21 O ATOM 969 CB ASP A 59 12.638 -0.044 -15.027 1.00 71.55 C ATOM 970 CG ASP A 59 11.216 0.364 -14.694 1.00 64.35 C ATOM 971 OD1 ASP A 59 10.609 -0.271 -13.807 1.00 32.30 O ATOM 972 OD2 ASP A 59 10.712 1.319 -15.321 1.00 33.23 O ATOM 0 H ASP A 59 14.923 -1.655 -15.211 1.00 62.32 H new ATOM 0 HA ASP A 59 12.158 -1.973 -14.208 1.00 13.50 H new ATOM 0 HB2 ASP A 59 13.325 0.452 -14.341 1.00 71.55 H new ATOM 0 HB3 ASP A 59 12.886 0.300 -16.031 1.00 71.55 H new ATOM 977 N LEU A 60 11.302 -2.619 -16.485 1.00 11.22 N ATOM 978 CA LEU A 60 10.887 -3.250 -17.733 1.00 25.31 C ATOM 979 C LEU A 60 10.776 -2.221 -18.853 1.00 71.21 C ATOM 980 O LEU A 60 11.129 -2.496 -19.999 1.00 62.34 O ATOM 981 CB LEU A 60 9.548 -3.965 -17.546 1.00 12.42 C ATOM 982 CG LEU A 60 9.584 -5.491 -17.625 1.00 61.14 C ATOM 983 CD1 LEU A 60 10.347 -6.069 -16.444 1.00 25.21 C ATOM 984 CD2 LEU A 60 8.172 -6.056 -17.678 1.00 62.24 C ATOM 0 H LEU A 60 10.561 -2.534 -15.789 1.00 11.22 H new ATOM 0 HA LEU A 60 11.646 -3.981 -18.011 1.00 25.31 H new ATOM 0 HB2 LEU A 60 9.140 -3.681 -16.576 1.00 12.42 H new ATOM 0 HB3 LEU A 60 8.855 -3.598 -18.303 1.00 12.42 H new ATOM 0 HG LEU A 60 10.102 -5.776 -18.541 1.00 61.14 H new ATOM 0 HD11 LEU A 60 10.362 -7.156 -16.518 1.00 25.21 H new ATOM 0 HD12 LEU A 60 11.369 -5.691 -16.451 1.00 25.21 H new ATOM 0 HD13 LEU A 60 9.858 -5.775 -15.516 1.00 25.21 H new ATOM 0 HD21 LEU A 60 8.217 -7.144 -17.734 1.00 62.24 H new ATOM 0 HD22 LEU A 60 7.628 -5.761 -16.781 1.00 62.24 H new ATOM 0 HD23 LEU A 60 7.658 -5.668 -18.558 1.00 62.24 H new ATOM 996 N MET A 61 10.284 -1.034 -18.512 1.00 64.35 N ATOM 997 CA MET A 61 10.130 0.037 -19.489 1.00 51.44 C ATOM 998 C MET A 61 11.473 0.691 -19.796 1.00 4.52 C ATOM 999 O MET A 61 11.659 1.280 -20.861 1.00 0.51 O ATOM 1000 CB MET A 61 9.144 1.088 -18.974 1.00 72.44 C ATOM 1001 CG MET A 61 7.691 0.646 -19.049 1.00 23.31 C ATOM 1002 SD MET A 61 7.151 -0.219 -17.562 1.00 23.31 S ATOM 1003 CE MET A 61 6.931 -1.879 -18.197 1.00 30.40 C ATOM 0 H MET A 61 9.986 -0.790 -17.568 1.00 64.35 H new ATOM 0 HA MET A 61 9.739 -0.398 -20.409 1.00 51.44 H new ATOM 0 HB2 MET A 61 9.389 1.328 -17.940 1.00 72.44 H new ATOM 0 HB3 MET A 61 9.267 2.004 -19.552 1.00 72.44 H new ATOM 0 HG2 MET A 61 7.057 1.519 -19.207 1.00 23.31 H new ATOM 0 HG3 MET A 61 7.558 -0.006 -19.912 1.00 23.31 H new ATOM 0 HE1 MET A 61 7.142 -2.601 -17.408 1.00 30.40 H new ATOM 0 HE2 MET A 61 5.904 -2.005 -18.539 1.00 30.40 H new ATOM 0 HE3 MET A 61 7.613 -2.043 -19.031 1.00 30.40 H new ATOM 1013 N ASP A 62 12.406 0.584 -18.856 1.00 44.33 N ATOM 1014 CA ASP A 62 13.733 1.165 -19.027 1.00 23.13 C ATOM 1015 C ASP A 62 14.761 0.434 -18.168 1.00 73.44 C ATOM 1016 O ASP A 62 15.194 0.922 -17.124 1.00 72.43 O ATOM 1017 CB ASP A 62 13.713 2.651 -18.665 1.00 64.12 C ATOM 1018 CG ASP A 62 14.733 3.452 -19.451 1.00 71.30 C ATOM 1019 OD1 ASP A 62 15.706 2.847 -19.948 1.00 51.41 O ATOM 1020 OD2 ASP A 62 14.558 4.683 -19.568 1.00 64.12 O ATOM 0 H ASP A 62 12.268 0.101 -17.968 1.00 44.33 H new ATOM 0 HA ASP A 62 14.018 1.057 -20.074 1.00 23.13 H new ATOM 0 HB2 ASP A 62 12.717 3.054 -18.851 1.00 64.12 H new ATOM 0 HB3 ASP A 62 13.909 2.765 -17.599 1.00 64.12 H new ATOM 1025 N PRO A 63 15.160 -0.766 -18.616 1.00 44.25 N ATOM 1026 CA PRO A 63 16.141 -1.590 -17.904 1.00 61.32 C ATOM 1027 C PRO A 63 17.544 -0.995 -17.954 1.00 21.11 C ATOM 1028 O PRO A 63 18.456 -1.475 -17.282 1.00 23.13 O ATOM 1029 CB PRO A 63 16.098 -2.922 -18.657 1.00 64.33 C ATOM 1030 CG PRO A 63 15.628 -2.569 -20.026 1.00 13.21 C ATOM 1031 CD PRO A 63 14.686 -1.409 -19.853 1.00 62.13 C ATOM 0 HA PRO A 63 15.907 -1.676 -16.843 1.00 61.32 H new ATOM 0 HB2 PRO A 63 17.081 -3.393 -18.685 1.00 64.33 H new ATOM 0 HB3 PRO A 63 15.420 -3.627 -18.176 1.00 64.33 H new ATOM 0 HG2 PRO A 63 16.466 -2.299 -20.669 1.00 13.21 H new ATOM 0 HG3 PRO A 63 15.125 -3.414 -20.496 1.00 13.21 H new ATOM 0 HD2 PRO A 63 14.728 -0.727 -20.702 1.00 62.13 H new ATOM 0 HD3 PRO A 63 13.652 -1.741 -19.762 1.00 62.13 H new ATOM 1039 N ALA A 64 17.709 0.053 -18.754 1.00 2.20 N ATOM 1040 CA ALA A 64 19.001 0.715 -18.889 1.00 12.21 C ATOM 1041 C ALA A 64 19.106 1.910 -17.948 1.00 1.35 C ATOM 1042 O ALA A 64 20.196 2.427 -17.703 1.00 44.31 O ATOM 1043 CB ALA A 64 19.221 1.154 -20.329 1.00 11.30 C ATOM 0 H ALA A 64 16.964 0.462 -19.318 1.00 2.20 H new ATOM 0 HA ALA A 64 19.778 0.001 -18.616 1.00 12.21 H new ATOM 0 HB1 ALA A 64 20.189 1.647 -20.415 1.00 11.30 H new ATOM 0 HB2 ALA A 64 19.198 0.282 -20.983 1.00 11.30 H new ATOM 0 HB3 ALA A 64 18.433 1.848 -20.622 1.00 11.30 H new ATOM 1049 N LYS A 65 17.966 2.346 -17.422 1.00 21.42 N ATOM 1050 CA LYS A 65 17.929 3.480 -16.506 1.00 61.23 C ATOM 1051 C LYS A 65 18.382 3.067 -15.110 1.00 21.34 C ATOM 1052 O LYS A 65 19.261 3.696 -14.520 1.00 64.33 O ATOM 1053 CB LYS A 65 16.516 4.065 -16.444 1.00 5.14 C ATOM 1054 CG LYS A 65 16.475 5.503 -15.955 1.00 32.54 C ATOM 1055 CD LYS A 65 15.064 5.923 -15.578 1.00 20.32 C ATOM 1056 CE LYS A 65 14.228 6.237 -16.809 1.00 63.42 C ATOM 1057 NZ LYS A 65 13.350 7.420 -16.596 1.00 41.35 N ATOM 0 H LYS A 65 17.055 1.931 -17.615 1.00 21.42 H new ATOM 0 HA LYS A 65 18.614 4.240 -16.880 1.00 61.23 H new ATOM 0 HB2 LYS A 65 16.067 4.014 -17.436 1.00 5.14 H new ATOM 0 HB3 LYS A 65 15.905 3.448 -15.785 1.00 5.14 H new ATOM 0 HG2 LYS A 65 17.132 5.614 -15.092 1.00 32.54 H new ATOM 0 HG3 LYS A 65 16.857 6.164 -16.733 1.00 32.54 H new ATOM 0 HD2 LYS A 65 14.587 5.127 -15.006 1.00 20.32 H new ATOM 0 HD3 LYS A 65 15.105 6.800 -14.931 1.00 20.32 H new ATOM 0 HE2 LYS A 65 14.887 6.422 -17.658 1.00 63.42 H new ATOM 0 HE3 LYS A 65 13.616 5.371 -17.063 1.00 63.42 H new ATOM 0 HZ1 LYS A 65 12.797 7.601 -17.458 1.00 41.35 H new ATOM 0 HZ2 LYS A 65 12.704 7.234 -15.802 1.00 41.35 H new ATOM 0 HZ3 LYS A 65 13.935 8.252 -16.379 1.00 41.35 H new ATOM 1071 N TYR A 66 17.778 2.006 -14.586 1.00 73.14 N ATOM 1072 CA TYR A 66 18.119 1.510 -13.258 1.00 74.45 C ATOM 1073 C TYR A 66 19.145 0.384 -13.344 1.00 51.04 C ATOM 1074 O TYR A 66 19.257 -0.440 -12.437 1.00 54.21 O ATOM 1075 CB TYR A 66 16.863 1.016 -12.538 1.00 30.13 C ATOM 1076 CG TYR A 66 15.879 2.117 -12.212 1.00 4.10 C ATOM 1077 CD1 TYR A 66 15.057 2.655 -13.195 1.00 24.44 C ATOM 1078 CD2 TYR A 66 15.772 2.619 -10.921 1.00 14.32 C ATOM 1079 CE1 TYR A 66 14.158 3.661 -12.901 1.00 50.34 C ATOM 1080 CE2 TYR A 66 14.874 3.625 -10.618 1.00 71.12 C ATOM 1081 CZ TYR A 66 14.070 4.143 -11.612 1.00 33.11 C ATOM 1082 OH TYR A 66 13.174 5.145 -11.316 1.00 20.45 O ATOM 0 H TYR A 66 17.050 1.473 -15.061 1.00 73.14 H new ATOM 0 HA TYR A 66 18.556 2.333 -12.691 1.00 74.45 H new ATOM 0 HB2 TYR A 66 16.368 0.270 -13.160 1.00 30.13 H new ATOM 0 HB3 TYR A 66 17.156 0.517 -11.614 1.00 30.13 H new ATOM 0 HD1 TYR A 66 15.122 2.280 -14.206 1.00 24.44 H new ATOM 0 HD2 TYR A 66 16.401 2.216 -10.141 1.00 14.32 H new ATOM 0 HE1 TYR A 66 13.527 4.068 -13.677 1.00 50.34 H new ATOM 0 HE2 TYR A 66 14.802 4.003 -9.609 1.00 71.12 H new ATOM 0 HH TYR A 66 12.428 4.775 -10.800 1.00 20.45 H new ATOM 1092 N ALA A 67 19.893 0.357 -14.443 1.00 21.05 N ATOM 1093 CA ALA A 67 20.912 -0.665 -14.647 1.00 44.44 C ATOM 1094 C ALA A 67 22.247 -0.237 -14.046 1.00 12.01 C ATOM 1095 O ALA A 67 23.088 -1.074 -13.719 1.00 70.21 O ATOM 1096 CB ALA A 67 21.071 -0.962 -16.131 1.00 41.32 C ATOM 0 H ALA A 67 19.812 1.031 -15.205 1.00 21.05 H new ATOM 0 HA ALA A 67 20.588 -1.573 -14.138 1.00 44.44 H new ATOM 0 HB1 ALA A 67 21.835 -1.727 -16.269 1.00 41.32 H new ATOM 0 HB2 ALA A 67 20.123 -1.319 -16.534 1.00 41.32 H new ATOM 0 HB3 ALA A 67 21.369 -0.053 -16.654 1.00 41.32 H new ATOM 1102 N SER A 68 22.434 1.071 -13.903 1.00 43.21 N ATOM 1103 CA SER A 68 23.669 1.610 -13.345 1.00 30.01 C ATOM 1104 C SER A 68 23.550 1.787 -11.834 1.00 65.31 C ATOM 1105 O SER A 68 24.537 2.059 -11.150 1.00 0.10 O ATOM 1106 CB SER A 68 24.008 2.950 -14.001 1.00 64.44 C ATOM 1107 OG SER A 68 22.878 3.804 -14.030 1.00 43.14 O ATOM 0 H SER A 68 21.746 1.777 -14.166 1.00 43.21 H new ATOM 0 HA SER A 68 24.471 0.900 -13.549 1.00 30.01 H new ATOM 0 HB2 SER A 68 24.818 3.432 -13.453 1.00 64.44 H new ATOM 0 HB3 SER A 68 24.366 2.781 -15.017 1.00 64.44 H new ATOM 0 HG SER A 68 23.121 4.654 -14.452 1.00 43.14 H new ATOM 1113 N VAL A 69 22.335 1.629 -11.320 1.00 12.52 N ATOM 1114 CA VAL A 69 22.085 1.770 -9.890 1.00 45.22 C ATOM 1115 C VAL A 69 23.050 0.914 -9.077 1.00 41.23 C ATOM 1116 O VAL A 69 23.356 -0.218 -9.450 1.00 65.50 O ATOM 1117 CB VAL A 69 20.640 1.377 -9.531 1.00 41.22 C ATOM 1118 CG1 VAL A 69 20.470 1.288 -8.022 1.00 61.33 C ATOM 1119 CG2 VAL A 69 19.654 2.370 -10.129 1.00 64.42 C ATOM 0 H VAL A 69 21.508 1.403 -11.872 1.00 12.52 H new ATOM 0 HA VAL A 69 22.239 2.821 -9.644 1.00 45.22 H new ATOM 0 HB VAL A 69 20.433 0.394 -9.955 1.00 41.22 H new ATOM 0 HG11 VAL A 69 19.443 1.009 -7.787 1.00 61.33 H new ATOM 0 HG12 VAL A 69 21.150 0.536 -7.623 1.00 61.33 H new ATOM 0 HG13 VAL A 69 20.695 2.255 -7.573 1.00 61.33 H new ATOM 0 HG21 VAL A 69 18.638 2.077 -9.866 1.00 64.42 H new ATOM 0 HG22 VAL A 69 19.858 3.366 -9.737 1.00 64.42 H new ATOM 0 HG23 VAL A 69 19.759 2.379 -11.214 1.00 64.42 H new ATOM 1129 N ASP A 70 23.525 1.463 -7.965 1.00 24.23 N ATOM 1130 CA ASP A 70 24.455 0.749 -7.097 1.00 32.12 C ATOM 1131 C ASP A 70 23.711 0.041 -5.969 1.00 14.43 C ATOM 1132 O ASP A 70 23.726 0.491 -4.822 1.00 73.41 O ATOM 1133 CB ASP A 70 25.488 1.715 -6.515 1.00 51.55 C ATOM 1134 CG ASP A 70 26.293 2.418 -7.591 1.00 13.30 C ATOM 1135 OD1 ASP A 70 26.446 1.842 -8.688 1.00 42.31 O ATOM 1136 OD2 ASP A 70 26.770 3.544 -7.335 1.00 71.12 O ATOM 0 H ASP A 70 23.282 2.400 -7.643 1.00 24.23 H new ATOM 0 HA ASP A 70 24.969 -0.002 -7.697 1.00 32.12 H new ATOM 0 HB2 ASP A 70 24.980 2.459 -5.901 1.00 51.55 H new ATOM 0 HB3 ASP A 70 26.164 1.167 -5.859 1.00 51.55 H new ATOM 1141 N THR A 71 23.058 -1.068 -6.301 1.00 62.24 N ATOM 1142 CA THR A 71 22.306 -1.837 -5.318 1.00 1.23 C ATOM 1143 C THR A 71 23.122 -2.053 -4.048 1.00 51.32 C ATOM 1144 O THR A 71 22.576 -2.077 -2.945 1.00 22.23 O ATOM 1145 CB THR A 71 21.881 -3.206 -5.880 1.00 61.33 C ATOM 1146 OG1 THR A 71 22.755 -3.590 -6.947 1.00 65.43 O ATOM 1147 CG2 THR A 71 20.446 -3.163 -6.384 1.00 45.54 C ATOM 0 H THR A 71 23.035 -1.454 -7.245 1.00 62.24 H new ATOM 0 HA THR A 71 21.414 -1.258 -5.080 1.00 1.23 H new ATOM 0 HB THR A 71 21.945 -3.939 -5.076 1.00 61.33 H new ATOM 0 HG1 THR A 71 22.479 -4.462 -7.298 1.00 65.43 H new ATOM 0 HG21 THR A 71 20.169 -4.141 -6.776 1.00 45.54 H new ATOM 0 HG22 THR A 71 19.780 -2.899 -5.563 1.00 45.54 H new ATOM 0 HG23 THR A 71 20.360 -2.418 -7.175 1.00 45.54 H new ATOM 1155 N TYR A 72 24.431 -2.208 -4.211 1.00 71.32 N ATOM 1156 CA TYR A 72 25.322 -2.424 -3.077 1.00 40.14 C ATOM 1157 C TYR A 72 25.218 -1.277 -2.077 1.00 1.11 C ATOM 1158 O TYR A 72 25.134 -1.498 -0.869 1.00 1.13 O ATOM 1159 CB TYR A 72 26.767 -2.567 -3.558 1.00 22.02 C ATOM 1160 CG TYR A 72 27.781 -2.562 -2.436 1.00 44.23 C ATOM 1161 CD1 TYR A 72 27.662 -3.434 -1.361 1.00 43.42 C ATOM 1162 CD2 TYR A 72 28.859 -1.685 -2.453 1.00 24.24 C ATOM 1163 CE1 TYR A 72 28.586 -3.432 -0.334 1.00 42.42 C ATOM 1164 CE2 TYR A 72 29.789 -1.677 -1.431 1.00 30.14 C ATOM 1165 CZ TYR A 72 29.648 -2.552 -0.373 1.00 53.25 C ATOM 1166 OH TYR A 72 30.571 -2.548 0.647 1.00 51.41 O ATOM 0 H TYR A 72 24.899 -2.188 -5.117 1.00 71.32 H new ATOM 0 HA TYR A 72 25.019 -3.345 -2.579 1.00 40.14 H new ATOM 0 HB2 TYR A 72 26.864 -3.496 -4.120 1.00 22.02 H new ATOM 0 HB3 TYR A 72 26.995 -1.753 -4.246 1.00 22.02 H new ATOM 0 HD1 TYR A 72 26.833 -4.125 -1.328 1.00 43.42 H new ATOM 0 HD2 TYR A 72 28.972 -0.998 -3.279 1.00 24.24 H new ATOM 0 HE1 TYR A 72 28.478 -4.116 0.495 1.00 42.42 H new ATOM 0 HE2 TYR A 72 30.622 -0.990 -1.460 1.00 30.14 H new ATOM 0 HH TYR A 72 31.255 -1.870 0.466 1.00 51.41 H new ATOM 1176 N ASP A 73 25.224 -0.051 -2.589 1.00 72.44 N ATOM 1177 CA ASP A 73 25.128 1.132 -1.743 1.00 4.04 C ATOM 1178 C ASP A 73 23.738 1.249 -1.127 1.00 33.35 C ATOM 1179 O ASP A 73 22.749 1.440 -1.834 1.00 74.53 O ATOM 1180 CB ASP A 73 25.449 2.391 -2.550 1.00 62.43 C ATOM 1181 CG ASP A 73 25.512 3.634 -1.685 1.00 25.43 C ATOM 1182 OD1 ASP A 73 25.528 3.493 -0.444 1.00 32.33 O ATOM 1183 OD2 ASP A 73 25.548 4.747 -2.248 1.00 54.22 O ATOM 0 H ASP A 73 25.294 0.149 -3.587 1.00 72.44 H new ATOM 0 HA ASP A 73 25.855 1.031 -0.938 1.00 4.04 H new ATOM 0 HB2 ASP A 73 26.403 2.258 -3.060 1.00 62.43 H new ATOM 0 HB3 ASP A 73 24.691 2.527 -3.322 1.00 62.43 H new ATOM 1188 N ARG A 74 23.670 1.132 0.196 1.00 60.34 N ATOM 1189 CA ARG A 74 22.400 1.222 0.907 1.00 64.35 C ATOM 1190 C ARG A 74 21.693 2.537 0.592 1.00 24.13 C ATOM 1191 O ARG A 74 20.473 2.640 0.711 1.00 20.13 O ATOM 1192 CB ARG A 74 22.626 1.099 2.415 1.00 43.44 C ATOM 1193 CG ARG A 74 23.178 2.364 3.052 1.00 21.14 C ATOM 1194 CD ARG A 74 24.618 2.616 2.634 1.00 41.22 C ATOM 1195 NE ARG A 74 25.460 1.439 2.832 1.00 11.42 N ATOM 1196 CZ ARG A 74 26.691 1.326 2.346 1.00 71.01 C ATOM 1197 NH1 ARG A 74 27.221 2.313 1.637 1.00 53.12 N ATOM 1198 NH2 ARG A 74 27.395 0.224 2.569 1.00 33.52 N ATOM 0 H ARG A 74 24.479 0.975 0.797 1.00 60.34 H new ATOM 0 HA ARG A 74 21.766 0.400 0.574 1.00 64.35 H new ATOM 0 HB2 ARG A 74 21.682 0.842 2.896 1.00 43.44 H new ATOM 0 HB3 ARG A 74 23.315 0.276 2.605 1.00 43.44 H new ATOM 0 HG2 ARG A 74 22.561 3.216 2.766 1.00 21.14 H new ATOM 0 HG3 ARG A 74 23.122 2.280 4.137 1.00 21.14 H new ATOM 0 HD2 ARG A 74 24.645 2.908 1.584 1.00 41.22 H new ATOM 0 HD3 ARG A 74 25.021 3.451 3.208 1.00 41.22 H new ATOM 0 HE ARG A 74 25.082 0.661 3.373 1.00 11.42 H new ATOM 0 HH11 ARG A 74 26.683 3.162 1.463 1.00 53.12 H new ATOM 0 HH12 ARG A 74 28.167 2.223 1.265 1.00 53.12 H new ATOM 0 HH21 ARG A 74 26.991 -0.538 3.114 1.00 33.52 H new ATOM 0 HH22 ARG A 74 28.340 0.138 2.195 1.00 33.52 H new ATOM 1212 N GLU A 75 22.469 3.539 0.191 1.00 5.15 N ATOM 1213 CA GLU A 75 21.917 4.848 -0.138 1.00 71.41 C ATOM 1214 C GLU A 75 21.041 4.770 -1.385 1.00 74.21 C ATOM 1215 O GLU A 75 19.861 5.120 -1.350 1.00 24.15 O ATOM 1216 CB GLU A 75 23.042 5.861 -0.355 1.00 3.42 C ATOM 1217 CG GLU A 75 23.324 6.727 0.862 1.00 65.22 C ATOM 1218 CD GLU A 75 24.200 7.922 0.537 1.00 20.44 C ATOM 1219 OE1 GLU A 75 24.880 7.893 -0.509 1.00 62.33 O ATOM 1220 OE2 GLU A 75 24.204 8.886 1.331 1.00 24.01 O ATOM 0 H GLU A 75 23.481 3.469 0.086 1.00 5.15 H new ATOM 0 HA GLU A 75 21.300 5.175 0.699 1.00 71.41 H new ATOM 0 HB2 GLU A 75 23.952 5.328 -0.630 1.00 3.42 H new ATOM 0 HB3 GLU A 75 22.783 6.504 -1.196 1.00 3.42 H new ATOM 0 HG2 GLU A 75 22.380 7.076 1.281 1.00 65.22 H new ATOM 0 HG3 GLU A 75 23.809 6.123 1.629 1.00 65.22 H new ATOM 1227 N GLN A 76 21.627 4.309 -2.485 1.00 70.03 N ATOM 1228 CA GLN A 76 20.900 4.186 -3.743 1.00 43.54 C ATOM 1229 C GLN A 76 19.676 3.291 -3.580 1.00 43.42 C ATOM 1230 O GLN A 76 18.549 3.709 -3.845 1.00 11.44 O ATOM 1231 CB GLN A 76 21.816 3.625 -4.833 1.00 13.11 C ATOM 1232 CG GLN A 76 23.080 4.442 -5.046 1.00 31.03 C ATOM 1233 CD GLN A 76 23.171 5.024 -6.443 1.00 35.04 C ATOM 1234 OE1 GLN A 76 22.236 5.668 -6.921 1.00 63.32 O ATOM 1235 NE2 GLN A 76 24.299 4.800 -7.105 1.00 43.52 N ATOM 0 H GLN A 76 22.603 4.015 -2.531 1.00 70.03 H new ATOM 0 HA GLN A 76 20.563 5.180 -4.037 1.00 43.54 H new ATOM 0 HB2 GLN A 76 22.093 2.604 -4.573 1.00 13.11 H new ATOM 0 HB3 GLN A 76 21.263 3.576 -5.771 1.00 13.11 H new ATOM 0 HG2 GLN A 76 23.112 5.251 -4.317 1.00 31.03 H new ATOM 0 HG3 GLN A 76 23.950 3.812 -4.862 1.00 31.03 H new ATOM 0 HE21 GLN A 76 25.047 4.261 -6.670 1.00 43.52 H new ATOM 0 HE22 GLN A 76 24.418 5.167 -8.049 1.00 43.52 H new ATOM 1244 N VAL A 77 19.906 2.057 -3.143 1.00 52.12 N ATOM 1245 CA VAL A 77 18.822 1.103 -2.944 1.00 32.31 C ATOM 1246 C VAL A 77 17.712 1.702 -2.088 1.00 1.43 C ATOM 1247 O VAL A 77 16.537 1.378 -2.260 1.00 45.53 O ATOM 1248 CB VAL A 77 19.328 -0.190 -2.277 1.00 72.22 C ATOM 1249 CG1 VAL A 77 19.502 0.014 -0.780 1.00 21.21 C ATOM 1250 CG2 VAL A 77 18.376 -1.343 -2.559 1.00 54.43 C ATOM 0 H VAL A 77 20.833 1.695 -2.920 1.00 52.12 H new ATOM 0 HA VAL A 77 18.426 0.864 -3.931 1.00 32.31 H new ATOM 0 HB VAL A 77 20.301 -0.440 -2.701 1.00 72.22 H new ATOM 0 HG11 VAL A 77 19.860 -0.910 -0.326 1.00 21.21 H new ATOM 0 HG12 VAL A 77 20.226 0.809 -0.603 1.00 21.21 H new ATOM 0 HG13 VAL A 77 18.545 0.289 -0.337 1.00 21.21 H new ATOM 0 HG21 VAL A 77 18.749 -2.248 -2.080 1.00 54.43 H new ATOM 0 HG22 VAL A 77 17.388 -1.104 -2.164 1.00 54.43 H new ATOM 0 HG23 VAL A 77 18.307 -1.503 -3.635 1.00 54.43 H new ATOM 1260 N MET A 78 18.093 2.579 -1.164 1.00 70.11 N ATOM 1261 CA MET A 78 17.129 3.226 -0.281 1.00 61.24 C ATOM 1262 C MET A 78 16.235 4.184 -1.062 1.00 3.43 C ATOM 1263 O MET A 78 15.009 4.121 -0.969 1.00 2.44 O ATOM 1264 CB MET A 78 17.854 3.980 0.835 1.00 51.21 C ATOM 1265 CG MET A 78 17.923 3.210 2.144 1.00 53.04 C ATOM 1266 SD MET A 78 18.446 4.239 3.528 1.00 4.15 S ATOM 1267 CE MET A 78 20.215 3.955 3.512 1.00 73.40 C ATOM 0 H MET A 78 19.062 2.858 -1.008 1.00 70.11 H new ATOM 0 HA MET A 78 16.502 2.452 0.162 1.00 61.24 H new ATOM 0 HB2 MET A 78 18.867 4.213 0.506 1.00 51.21 H new ATOM 0 HB3 MET A 78 17.349 4.930 1.008 1.00 51.21 H new ATOM 0 HG2 MET A 78 16.944 2.784 2.363 1.00 53.04 H new ATOM 0 HG3 MET A 78 18.616 2.376 2.034 1.00 53.04 H new ATOM 0 HE1 MET A 78 20.632 4.199 4.489 1.00 73.40 H new ATOM 0 HE2 MET A 78 20.413 2.908 3.284 1.00 73.40 H new ATOM 0 HE3 MET A 78 20.678 4.585 2.753 1.00 73.40 H new ATOM 1277 N LYS A 79 16.857 5.072 -1.831 1.00 34.11 N ATOM 1278 CA LYS A 79 16.118 6.044 -2.629 1.00 22.34 C ATOM 1279 C LYS A 79 15.125 5.347 -3.553 1.00 20.41 C ATOM 1280 O LYS A 79 13.984 5.787 -3.698 1.00 62.33 O ATOM 1281 CB LYS A 79 17.085 6.898 -3.452 1.00 74.02 C ATOM 1282 CG LYS A 79 18.030 7.734 -2.606 1.00 71.55 C ATOM 1283 CD LYS A 79 19.359 7.955 -3.309 1.00 71.21 C ATOM 1284 CE LYS A 79 20.418 8.473 -2.348 1.00 60.41 C ATOM 1285 NZ LYS A 79 20.246 9.924 -2.062 1.00 71.14 N ATOM 0 H LYS A 79 17.871 5.139 -1.918 1.00 34.11 H new ATOM 0 HA LYS A 79 15.562 6.689 -1.948 1.00 22.34 H new ATOM 0 HB2 LYS A 79 17.671 6.246 -4.100 1.00 74.02 H new ATOM 0 HB3 LYS A 79 16.511 7.559 -4.101 1.00 74.02 H new ATOM 0 HG2 LYS A 79 17.569 8.697 -2.387 1.00 71.55 H new ATOM 0 HG3 LYS A 79 18.201 7.238 -1.651 1.00 71.55 H new ATOM 0 HD2 LYS A 79 19.697 7.019 -3.754 1.00 71.21 H new ATOM 0 HD3 LYS A 79 19.227 8.666 -4.124 1.00 71.21 H new ATOM 0 HE2 LYS A 79 20.368 7.911 -1.416 1.00 60.41 H new ATOM 0 HE3 LYS A 79 21.408 8.301 -2.771 1.00 60.41 H new ATOM 0 HZ1 LYS A 79 20.987 10.238 -1.403 1.00 71.14 H new ATOM 0 HZ2 LYS A 79 20.319 10.464 -2.948 1.00 71.14 H new ATOM 0 HZ3 LYS A 79 19.312 10.085 -1.634 1.00 71.14 H new ATOM 1299 N ILE A 80 15.565 4.258 -4.174 1.00 25.53 N ATOM 1300 CA ILE A 80 14.714 3.499 -5.081 1.00 53.03 C ATOM 1301 C ILE A 80 13.536 2.877 -4.339 1.00 12.10 C ATOM 1302 O ILE A 80 12.378 3.090 -4.702 1.00 25.32 O ATOM 1303 CB ILE A 80 15.502 2.385 -5.795 1.00 5.04 C ATOM 1304 CG1 ILE A 80 16.395 2.980 -6.886 1.00 13.33 C ATOM 1305 CG2 ILE A 80 14.550 1.356 -6.385 1.00 12.13 C ATOM 1306 CD1 ILE A 80 17.868 2.957 -6.542 1.00 35.35 C ATOM 0 H ILE A 80 16.507 3.882 -4.065 1.00 25.53 H new ATOM 0 HA ILE A 80 14.341 4.203 -5.825 1.00 53.03 H new ATOM 0 HB ILE A 80 16.138 1.885 -5.064 1.00 5.04 H new ATOM 0 HG12 ILE A 80 16.238 2.429 -7.813 1.00 13.33 H new ATOM 0 HG13 ILE A 80 16.090 4.010 -7.072 1.00 13.33 H new ATOM 0 HG21 ILE A 80 15.123 0.576 -6.886 1.00 12.13 H new ATOM 0 HG22 ILE A 80 13.953 0.913 -5.588 1.00 12.13 H new ATOM 0 HG23 ILE A 80 13.891 1.841 -7.105 1.00 12.13 H new ATOM 0 HD11 ILE A 80 18.440 3.394 -7.361 1.00 35.35 H new ATOM 0 HD12 ILE A 80 18.038 3.533 -5.632 1.00 35.35 H new ATOM 0 HD13 ILE A 80 18.189 1.927 -6.385 1.00 35.35 H new ATOM 1318 N ILE A 81 13.839 2.110 -3.297 1.00 74.34 N ATOM 1319 CA ILE A 81 12.805 1.459 -2.502 1.00 54.40 C ATOM 1320 C ILE A 81 11.831 2.481 -1.926 1.00 15.25 C ATOM 1321 O ILE A 81 10.628 2.231 -1.845 1.00 72.13 O ATOM 1322 CB ILE A 81 13.413 0.640 -1.349 1.00 24.21 C ATOM 1323 CG1 ILE A 81 14.197 -0.553 -1.900 1.00 61.14 C ATOM 1324 CG2 ILE A 81 12.322 0.170 -0.399 1.00 72.01 C ATOM 1325 CD1 ILE A 81 14.956 -1.320 -0.840 1.00 2.40 C ATOM 0 H ILE A 81 14.792 1.924 -2.984 1.00 74.34 H new ATOM 0 HA ILE A 81 12.269 0.786 -3.171 1.00 54.40 H new ATOM 0 HB ILE A 81 14.101 1.278 -0.794 1.00 24.21 H new ATOM 0 HG12 ILE A 81 13.506 -1.230 -2.402 1.00 61.14 H new ATOM 0 HG13 ILE A 81 14.900 -0.198 -2.654 1.00 61.14 H new ATOM 0 HG21 ILE A 81 12.768 -0.408 0.410 1.00 72.01 H new ATOM 0 HG22 ILE A 81 11.803 1.034 0.015 1.00 72.01 H new ATOM 0 HG23 ILE A 81 11.612 -0.454 -0.941 1.00 72.01 H new ATOM 0 HD11 ILE A 81 15.488 -2.151 -1.303 1.00 2.40 H new ATOM 0 HD12 ILE A 81 15.672 -0.657 -0.354 1.00 2.40 H new ATOM 0 HD13 ILE A 81 14.256 -1.705 -0.098 1.00 2.40 H new ATOM 1337 N ASP A 82 12.358 3.634 -1.527 1.00 72.51 N ATOM 1338 CA ASP A 82 11.535 4.696 -0.961 1.00 34.35 C ATOM 1339 C ASP A 82 10.665 5.341 -2.035 1.00 1.10 C ATOM 1340 O ASP A 82 9.451 5.458 -1.876 1.00 13.55 O ATOM 1341 CB ASP A 82 12.417 5.754 -0.297 1.00 15.34 C ATOM 1342 CG ASP A 82 11.651 7.020 0.037 1.00 73.42 C ATOM 1343 OD1 ASP A 82 10.535 6.911 0.588 1.00 61.43 O ATOM 1344 OD2 ASP A 82 12.167 8.119 -0.252 1.00 64.25 O ATOM 0 H ASP A 82 13.352 3.857 -1.585 1.00 72.51 H new ATOM 0 HA ASP A 82 10.882 4.254 -0.208 1.00 34.35 H new ATOM 0 HB2 ASP A 82 12.849 5.343 0.615 1.00 15.34 H new ATOM 0 HB3 ASP A 82 13.247 5.999 -0.960 1.00 15.34 H new ATOM 1349 N GLU A 83 11.296 5.758 -3.128 1.00 41.41 N ATOM 1350 CA GLU A 83 10.579 6.394 -4.228 1.00 22.35 C ATOM 1351 C GLU A 83 9.505 5.464 -4.786 1.00 44.40 C ATOM 1352 O GLU A 83 8.344 5.851 -4.923 1.00 65.34 O ATOM 1353 CB GLU A 83 11.553 6.791 -5.339 1.00 2.44 C ATOM 1354 CG GLU A 83 12.318 8.072 -5.048 1.00 54.14 C ATOM 1355 CD GLU A 83 11.414 9.287 -4.976 1.00 14.33 C ATOM 1356 OE1 GLU A 83 10.232 9.171 -5.365 1.00 4.34 O ATOM 1357 OE2 GLU A 83 11.887 10.354 -4.531 1.00 33.34 O ATOM 0 H GLU A 83 12.301 5.667 -3.276 1.00 41.41 H new ATOM 0 HA GLU A 83 10.094 7.291 -3.842 1.00 22.35 H new ATOM 0 HB2 GLU A 83 12.265 5.980 -5.494 1.00 2.44 H new ATOM 0 HB3 GLU A 83 10.999 6.912 -6.270 1.00 2.44 H new ATOM 0 HG2 GLU A 83 12.853 7.965 -4.104 1.00 54.14 H new ATOM 0 HG3 GLU A 83 13.068 8.227 -5.824 1.00 54.14 H new ATOM 1364 N PHE A 84 9.902 4.237 -5.107 1.00 11.30 N ATOM 1365 CA PHE A 84 8.975 3.252 -5.652 1.00 51.42 C ATOM 1366 C PHE A 84 7.961 2.818 -4.598 1.00 55.41 C ATOM 1367 O PHE A 84 6.945 2.198 -4.915 1.00 0.52 O ATOM 1368 CB PHE A 84 9.740 2.034 -6.172 1.00 60.32 C ATOM 1369 CG PHE A 84 10.352 2.244 -7.528 1.00 23.24 C ATOM 1370 CD1 PHE A 84 11.322 3.215 -7.721 1.00 71.53 C ATOM 1371 CD2 PHE A 84 9.959 1.470 -8.608 1.00 13.44 C ATOM 1372 CE1 PHE A 84 11.886 3.410 -8.968 1.00 1.43 C ATOM 1373 CE2 PHE A 84 10.520 1.661 -9.856 1.00 52.43 C ATOM 1374 CZ PHE A 84 11.486 2.632 -10.036 1.00 54.12 C ATOM 0 H PHE A 84 10.859 3.901 -4.999 1.00 11.30 H new ATOM 0 HA PHE A 84 8.437 3.715 -6.479 1.00 51.42 H new ATOM 0 HB2 PHE A 84 10.527 1.779 -5.462 1.00 60.32 H new ATOM 0 HB3 PHE A 84 9.063 1.181 -6.216 1.00 60.32 H new ATOM 0 HD1 PHE A 84 11.640 3.825 -6.889 1.00 71.53 H new ATOM 0 HD2 PHE A 84 9.205 0.708 -8.473 1.00 13.44 H new ATOM 0 HE1 PHE A 84 12.640 4.171 -9.107 1.00 1.43 H new ATOM 0 HE2 PHE A 84 10.204 1.052 -10.690 1.00 52.43 H new ATOM 0 HZ PHE A 84 11.927 2.782 -11.010 1.00 54.12 H new ATOM 1384 N LYS A 85 8.243 3.148 -3.342 1.00 44.24 N ATOM 1385 CA LYS A 85 7.357 2.794 -2.240 1.00 3.42 C ATOM 1386 C LYS A 85 7.162 1.284 -2.162 1.00 23.42 C ATOM 1387 O LYS A 85 6.033 0.793 -2.165 1.00 13.55 O ATOM 1388 CB LYS A 85 6.002 3.486 -2.405 1.00 44.40 C ATOM 1389 CG LYS A 85 5.988 4.922 -1.909 1.00 31.24 C ATOM 1390 CD LYS A 85 6.133 5.910 -3.054 1.00 74.51 C ATOM 1391 CE LYS A 85 5.072 6.998 -2.989 1.00 72.41 C ATOM 1392 NZ LYS A 85 5.095 7.717 -1.686 1.00 15.34 N ATOM 0 H LYS A 85 9.079 3.661 -3.062 1.00 44.24 H new ATOM 0 HA LYS A 85 7.820 3.131 -1.312 1.00 3.42 H new ATOM 0 HB2 LYS A 85 5.722 3.471 -3.458 1.00 44.40 H new ATOM 0 HB3 LYS A 85 5.245 2.917 -1.866 1.00 44.40 H new ATOM 0 HG2 LYS A 85 5.056 5.115 -1.377 1.00 31.24 H new ATOM 0 HG3 LYS A 85 6.799 5.069 -1.196 1.00 31.24 H new ATOM 0 HD2 LYS A 85 7.123 6.364 -3.021 1.00 74.51 H new ATOM 0 HD3 LYS A 85 6.056 5.381 -4.004 1.00 74.51 H new ATOM 0 HE2 LYS A 85 5.231 7.709 -3.799 1.00 72.41 H new ATOM 0 HE3 LYS A 85 4.088 6.555 -3.142 1.00 72.41 H new ATOM 0 HZ1 LYS A 85 4.666 8.658 -1.801 1.00 15.34 H new ATOM 0 HZ2 LYS A 85 4.556 7.175 -0.981 1.00 15.34 H new ATOM 0 HZ3 LYS A 85 6.079 7.822 -1.365 1.00 15.34 H new ATOM 1406 N ILE A 86 8.269 0.552 -2.091 1.00 31.30 N ATOM 1407 CA ILE A 86 8.218 -0.903 -2.009 1.00 43.24 C ATOM 1408 C ILE A 86 7.958 -1.364 -0.580 1.00 32.53 C ATOM 1409 O ILE A 86 8.606 -0.923 0.369 1.00 12.05 O ATOM 1410 CB ILE A 86 9.527 -1.541 -2.513 1.00 13.34 C ATOM 1411 CG1 ILE A 86 9.945 -0.916 -3.845 1.00 75.24 C ATOM 1412 CG2 ILE A 86 9.361 -3.046 -2.656 1.00 20.33 C ATOM 1413 CD1 ILE A 86 11.257 -1.448 -4.377 1.00 31.40 C ATOM 0 H ILE A 86 9.211 0.942 -2.089 1.00 31.30 H new ATOM 0 HA ILE A 86 7.396 -1.227 -2.647 1.00 43.24 H new ATOM 0 HB ILE A 86 10.313 -1.350 -1.782 1.00 13.34 H new ATOM 0 HG12 ILE A 86 9.163 -1.096 -4.583 1.00 75.24 H new ATOM 0 HG13 ILE A 86 10.024 0.164 -3.721 1.00 75.24 H new ATOM 0 HG21 ILE A 86 10.294 -3.483 -3.013 1.00 20.33 H new ATOM 0 HG22 ILE A 86 9.105 -3.477 -1.688 1.00 20.33 H new ATOM 0 HG23 ILE A 86 8.565 -3.258 -3.370 1.00 20.33 H new ATOM 0 HD11 ILE A 86 11.490 -0.960 -5.324 1.00 31.40 H new ATOM 0 HD12 ILE A 86 12.051 -1.244 -3.658 1.00 31.40 H new ATOM 0 HD13 ILE A 86 11.177 -2.524 -4.533 1.00 31.40 H new ATOM 1425 N PRO A 87 6.987 -2.276 -0.420 1.00 21.31 N ATOM 1426 CA PRO A 87 6.620 -2.820 0.891 1.00 71.22 C ATOM 1427 C PRO A 87 7.702 -3.728 1.466 1.00 50.23 C ATOM 1428 O PRO A 87 8.536 -4.259 0.732 1.00 62.30 O ATOM 1429 CB PRO A 87 5.349 -3.622 0.599 1.00 40.12 C ATOM 1430 CG PRO A 87 5.454 -3.988 -0.842 1.00 5.45 C ATOM 1431 CD PRO A 87 6.174 -2.847 -1.507 1.00 12.12 C ATOM 0 HA PRO A 87 6.484 -2.034 1.634 1.00 71.22 H new ATOM 0 HB2 PRO A 87 5.287 -4.509 1.229 1.00 40.12 H new ATOM 0 HB3 PRO A 87 4.454 -3.030 0.793 1.00 40.12 H new ATOM 0 HG2 PRO A 87 6.002 -4.922 -0.969 1.00 5.45 H new ATOM 0 HG3 PRO A 87 4.467 -4.135 -1.280 1.00 5.45 H new ATOM 0 HD2 PRO A 87 6.794 -3.191 -2.334 1.00 12.12 H new ATOM 0 HD3 PRO A 87 5.477 -2.115 -1.914 1.00 12.12 H new ATOM 1439 N THR A 88 7.683 -3.902 2.784 1.00 61.45 N ATOM 1440 CA THR A 88 8.663 -4.745 3.457 1.00 70.31 C ATOM 1441 C THR A 88 8.229 -6.207 3.450 1.00 52.44 C ATOM 1442 O THR A 88 7.096 -6.526 3.090 1.00 74.20 O ATOM 1443 CB THR A 88 8.885 -4.295 4.913 1.00 2.01 C ATOM 1444 OG1 THR A 88 8.147 -3.096 5.173 1.00 4.40 O ATOM 1445 CG2 THR A 88 10.363 -4.057 5.186 1.00 14.24 C ATOM 0 H THR A 88 7.000 -3.470 3.406 1.00 61.45 H new ATOM 0 HA THR A 88 9.598 -4.644 2.906 1.00 70.31 H new ATOM 0 HB THR A 88 8.533 -5.088 5.573 1.00 2.01 H new ATOM 0 HG1 THR A 88 8.292 -2.817 6.101 1.00 4.40 H new ATOM 0 HG21 THR A 88 10.495 -3.740 6.220 1.00 14.24 H new ATOM 0 HG22 THR A 88 10.918 -4.980 5.015 1.00 14.24 H new ATOM 0 HG23 THR A 88 10.736 -3.281 4.518 1.00 14.24 H new ATOM 1453 N VAL A 89 9.137 -7.091 3.850 1.00 70.05 N ATOM 1454 CA VAL A 89 8.847 -8.519 3.891 1.00 71.33 C ATOM 1455 C VAL A 89 7.558 -8.796 4.657 1.00 63.51 C ATOM 1456 O VAL A 89 6.664 -9.480 4.159 1.00 2.04 O ATOM 1457 CB VAL A 89 9.998 -9.307 4.543 1.00 65.43 C ATOM 1458 CG1 VAL A 89 9.753 -10.804 4.428 1.00 24.22 C ATOM 1459 CG2 VAL A 89 11.329 -8.927 3.911 1.00 52.34 C ATOM 0 H VAL A 89 10.080 -6.843 4.150 1.00 70.05 H new ATOM 0 HA VAL A 89 8.731 -8.848 2.858 1.00 71.33 H new ATOM 0 HB VAL A 89 10.037 -9.049 5.601 1.00 65.43 H new ATOM 0 HG11 VAL A 89 10.577 -11.344 4.894 1.00 24.22 H new ATOM 0 HG12 VAL A 89 8.820 -11.060 4.931 1.00 24.22 H new ATOM 0 HG13 VAL A 89 9.686 -11.082 3.376 1.00 24.22 H new ATOM 0 HG21 VAL A 89 12.131 -9.493 4.384 1.00 52.34 H new ATOM 0 HG22 VAL A 89 11.304 -9.154 2.845 1.00 52.34 H new ATOM 0 HG23 VAL A 89 11.507 -7.861 4.050 1.00 52.34 H new ATOM 1469 N GLU A 90 7.471 -8.260 5.870 1.00 33.43 N ATOM 1470 CA GLU A 90 6.291 -8.451 6.705 1.00 14.14 C ATOM 1471 C GLU A 90 5.043 -7.904 6.017 1.00 22.04 C ATOM 1472 O GLU A 90 4.010 -8.570 5.963 1.00 20.50 O ATOM 1473 CB GLU A 90 6.481 -7.766 8.060 1.00 2.41 C ATOM 1474 CG GLU A 90 7.320 -8.572 9.037 1.00 3.53 C ATOM 1475 CD GLU A 90 7.475 -7.883 10.379 1.00 30.15 C ATOM 1476 OE1 GLU A 90 6.562 -8.012 11.222 1.00 42.13 O ATOM 1477 OE2 GLU A 90 8.510 -7.215 10.587 1.00 32.32 O ATOM 0 H GLU A 90 8.202 -7.691 6.296 1.00 33.43 H new ATOM 0 HA GLU A 90 6.159 -9.521 6.862 1.00 14.14 H new ATOM 0 HB2 GLU A 90 6.952 -6.796 7.904 1.00 2.41 H new ATOM 0 HB3 GLU A 90 5.503 -7.578 8.503 1.00 2.41 H new ATOM 0 HG2 GLU A 90 6.860 -9.549 9.185 1.00 3.53 H new ATOM 0 HG3 GLU A 90 8.306 -8.746 8.606 1.00 3.53 H new ATOM 1484 N GLN A 91 5.149 -6.687 5.494 1.00 14.34 N ATOM 1485 CA GLN A 91 4.029 -6.050 4.811 1.00 0.32 C ATOM 1486 C GLN A 91 3.540 -6.908 3.649 1.00 25.43 C ATOM 1487 O GLN A 91 2.369 -6.855 3.275 1.00 11.22 O ATOM 1488 CB GLN A 91 4.435 -4.666 4.302 1.00 4.43 C ATOM 1489 CG GLN A 91 5.130 -3.812 5.351 1.00 42.23 C ATOM 1490 CD GLN A 91 4.414 -3.831 6.687 1.00 45.01 C ATOM 1491 OE1 GLN A 91 3.185 -3.850 6.745 1.00 34.32 O ATOM 1492 NE2 GLN A 91 5.182 -3.826 7.770 1.00 3.13 N ATOM 0 H GLN A 91 5.998 -6.123 5.530 1.00 14.34 H new ATOM 0 HA GLN A 91 3.214 -5.942 5.527 1.00 0.32 H new ATOM 0 HB2 GLN A 91 5.097 -4.783 3.444 1.00 4.43 H new ATOM 0 HB3 GLN A 91 3.546 -4.142 3.950 1.00 4.43 H new ATOM 0 HG2 GLN A 91 6.151 -4.168 5.485 1.00 42.23 H new ATOM 0 HG3 GLN A 91 5.195 -2.785 4.993 1.00 42.23 H new ATOM 0 HE21 GLN A 91 6.197 -3.810 7.675 1.00 3.13 H new ATOM 0 HE22 GLN A 91 4.757 -3.838 8.697 1.00 3.13 H new ATOM 1501 N TRP A 92 4.445 -7.698 3.083 1.00 24.40 N ATOM 1502 CA TRP A 92 4.106 -8.569 1.963 1.00 50.53 C ATOM 1503 C TRP A 92 3.269 -9.755 2.429 1.00 52.52 C ATOM 1504 O TRP A 92 2.239 -10.072 1.834 1.00 34.32 O ATOM 1505 CB TRP A 92 5.377 -9.066 1.273 1.00 45.40 C ATOM 1506 CG TRP A 92 5.108 -9.996 0.129 1.00 31.14 C ATOM 1507 CD1 TRP A 92 4.214 -9.809 -0.886 1.00 61.21 C ATOM 1508 CD2 TRP A 92 5.736 -11.260 -0.114 1.00 10.53 C ATOM 1509 NE1 TRP A 92 4.249 -10.880 -1.746 1.00 33.51 N ATOM 1510 CE2 TRP A 92 5.175 -11.783 -1.295 1.00 32.32 C ATOM 1511 CE3 TRP A 92 6.719 -11.998 0.550 1.00 61.31 C ATOM 1512 CZ2 TRP A 92 5.564 -13.011 -1.823 1.00 24.32 C ATOM 1513 CZ3 TRP A 92 7.104 -13.217 0.025 1.00 65.02 C ATOM 1514 CH2 TRP A 92 6.529 -13.713 -1.152 1.00 72.53 C ATOM 0 H TRP A 92 5.419 -7.754 3.381 1.00 24.40 H new ATOM 0 HA TRP A 92 3.517 -7.990 1.251 1.00 50.53 H new ATOM 0 HB2 TRP A 92 5.943 -8.209 0.909 1.00 45.40 H new ATOM 0 HB3 TRP A 92 6.004 -9.574 2.005 1.00 45.40 H new ATOM 0 HD1 TRP A 92 3.574 -8.946 -0.997 1.00 61.21 H new ATOM 0 HE1 TRP A 92 3.678 -10.986 -2.585 1.00 33.51 H new ATOM 0 HE3 TRP A 92 7.170 -11.623 1.457 1.00 61.31 H new ATOM 0 HZ2 TRP A 92 5.120 -13.396 -2.729 1.00 24.32 H new ATOM 0 HZ3 TRP A 92 7.861 -13.797 0.531 1.00 65.02 H new ATOM 0 HH2 TRP A 92 6.853 -14.668 -1.538 1.00 72.53 H new ATOM 1525 N LYS A 93 3.717 -10.406 3.496 1.00 20.53 N ATOM 1526 CA LYS A 93 3.009 -11.557 4.044 1.00 74.21 C ATOM 1527 C LYS A 93 1.641 -11.149 4.582 1.00 1.42 C ATOM 1528 O LYS A 93 0.656 -11.867 4.411 1.00 22.21 O ATOM 1529 CB LYS A 93 3.833 -12.207 5.157 1.00 22.32 C ATOM 1530 CG LYS A 93 5.005 -13.027 4.646 1.00 5.04 C ATOM 1531 CD LYS A 93 6.062 -13.220 5.722 1.00 75.13 C ATOM 1532 CE LYS A 93 6.771 -11.915 6.047 1.00 13.43 C ATOM 1533 NZ LYS A 93 6.986 -11.750 7.512 1.00 71.53 N ATOM 0 H LYS A 93 4.568 -10.156 3.999 1.00 20.53 H new ATOM 0 HA LYS A 93 2.864 -12.278 3.240 1.00 74.21 H new ATOM 0 HB2 LYS A 93 4.207 -11.429 5.822 1.00 22.32 H new ATOM 0 HB3 LYS A 93 3.183 -12.849 5.751 1.00 22.32 H new ATOM 0 HG2 LYS A 93 4.649 -13.999 4.306 1.00 5.04 H new ATOM 0 HG3 LYS A 93 5.449 -12.530 3.783 1.00 5.04 H new ATOM 0 HD2 LYS A 93 5.596 -13.617 6.624 1.00 75.13 H new ATOM 0 HD3 LYS A 93 6.791 -13.958 5.389 1.00 75.13 H new ATOM 0 HE2 LYS A 93 7.732 -11.886 5.533 1.00 13.43 H new ATOM 0 HE3 LYS A 93 6.183 -11.078 5.670 1.00 13.43 H new ATOM 0 HZ1 LYS A 93 7.787 -11.107 7.675 1.00 71.53 H new ATOM 0 HZ2 LYS A 93 6.129 -11.352 7.946 1.00 71.53 H new ATOM 0 HZ3 LYS A 93 7.193 -12.675 7.939 1.00 71.53 H new ATOM 1547 N ASP A 94 1.588 -9.991 5.231 1.00 11.23 N ATOM 1548 CA ASP A 94 0.340 -9.485 5.792 1.00 22.52 C ATOM 1549 C ASP A 94 -0.617 -9.053 4.686 1.00 1.41 C ATOM 1550 O ASP A 94 -1.812 -9.342 4.739 1.00 61.24 O ATOM 1551 CB ASP A 94 0.617 -8.311 6.732 1.00 25.22 C ATOM 1552 CG ASP A 94 -0.560 -8.003 7.637 1.00 65.23 C ATOM 1553 OD1 ASP A 94 -1.586 -8.706 7.534 1.00 72.32 O ATOM 1554 OD2 ASP A 94 -0.454 -7.059 8.447 1.00 13.50 O ATOM 0 H ASP A 94 2.394 -9.385 5.382 1.00 11.23 H new ATOM 0 HA ASP A 94 -0.128 -10.290 6.358 1.00 22.52 H new ATOM 0 HB2 ASP A 94 1.491 -8.537 7.342 1.00 25.22 H new ATOM 0 HB3 ASP A 94 0.859 -7.427 6.142 1.00 25.22 H new ATOM 1559 N GLN A 95 -0.083 -8.357 3.687 1.00 31.12 N ATOM 1560 CA GLN A 95 -0.891 -7.883 2.570 1.00 61.03 C ATOM 1561 C GLN A 95 -1.517 -9.052 1.816 1.00 14.24 C ATOM 1562 O GLN A 95 -2.706 -9.032 1.495 1.00 70.22 O ATOM 1563 CB GLN A 95 -0.038 -7.045 1.616 1.00 11.40 C ATOM 1564 CG GLN A 95 0.081 -5.586 2.029 1.00 71.34 C ATOM 1565 CD GLN A 95 -1.147 -4.775 1.665 1.00 11.12 C ATOM 1566 OE1 GLN A 95 -1.720 -4.943 0.588 1.00 32.35 O ATOM 1567 NE2 GLN A 95 -1.558 -3.888 2.564 1.00 72.11 N ATOM 0 H GLN A 95 0.905 -8.109 3.629 1.00 31.12 H new ATOM 0 HA GLN A 95 -1.692 -7.262 2.972 1.00 61.03 H new ATOM 0 HB2 GLN A 95 0.960 -7.480 1.557 1.00 11.40 H new ATOM 0 HB3 GLN A 95 -0.468 -7.097 0.616 1.00 11.40 H new ATOM 0 HG2 GLN A 95 0.244 -5.529 3.105 1.00 71.34 H new ATOM 0 HG3 GLN A 95 0.957 -5.147 1.551 1.00 71.34 H new ATOM 0 HE21 GLN A 95 -1.053 -3.782 3.444 1.00 72.11 H new ATOM 0 HE22 GLN A 95 -2.379 -3.313 2.375 1.00 72.11 H new ATOM 1576 N THR A 96 -0.710 -10.070 1.537 1.00 61.42 N ATOM 1577 CA THR A 96 -1.184 -11.247 0.820 1.00 73.31 C ATOM 1578 C THR A 96 -2.158 -12.054 1.671 1.00 24.44 C ATOM 1579 O THR A 96 -3.170 -12.548 1.174 1.00 22.23 O ATOM 1580 CB THR A 96 -0.015 -12.156 0.396 1.00 31.11 C ATOM 1581 OG1 THR A 96 0.915 -12.294 1.476 1.00 10.41 O ATOM 1582 CG2 THR A 96 0.696 -11.589 -0.823 1.00 62.44 C ATOM 0 H THR A 96 0.276 -10.103 1.797 1.00 61.42 H new ATOM 0 HA THR A 96 -1.697 -10.888 -0.072 1.00 73.31 H new ATOM 0 HB THR A 96 -0.419 -13.135 0.138 1.00 31.11 H new ATOM 0 HG1 THR A 96 1.542 -11.541 1.466 1.00 10.41 H new ATOM 0 HG21 THR A 96 1.518 -12.248 -1.104 1.00 62.44 H new ATOM 0 HG22 THR A 96 -0.008 -11.513 -1.652 1.00 62.44 H new ATOM 0 HG23 THR A 96 1.088 -10.600 -0.588 1.00 62.44 H new ATOM 1941 N PHE B -7 9.694 -15.540 6.878 1.00 14.33 N ATOM 1942 CA PHE B -7 11.064 -15.575 6.380 1.00 12.54 C ATOM 1943 C PHE B -7 12.035 -15.028 7.423 1.00 62.53 C ATOM 1944 O PHE B -7 12.762 -15.786 8.067 1.00 73.25 O ATOM 1945 CB PHE B -7 11.179 -14.766 5.086 1.00 23.53 C ATOM 1946 CG PHE B -7 10.507 -15.417 3.911 1.00 21.12 C ATOM 1947 CD1 PHE B -7 9.125 -15.493 3.842 1.00 63.34 C ATOM 1948 CD2 PHE B -7 11.257 -15.952 2.876 1.00 13.01 C ATOM 1949 CE1 PHE B -7 8.504 -16.092 2.762 1.00 64.21 C ATOM 1950 CE2 PHE B -7 10.641 -16.552 1.793 1.00 3.25 C ATOM 1951 CZ PHE B -7 9.263 -16.621 1.736 1.00 42.00 C ATOM 0 H1 PHE B -7 9.040 -15.804 6.114 1.00 14.33 H new ATOM 0 H2 PHE B -7 9.594 -16.211 7.666 1.00 14.33 H new ATOM 0 H3 PHE B -7 9.470 -14.580 7.210 1.00 14.33 H new ATOM 0 HA PHE B -7 11.324 -16.614 6.176 1.00 12.54 H new ATOM 0 HB2 PHE B -7 10.743 -13.780 5.243 1.00 23.53 H new ATOM 0 HB3 PHE B -7 12.233 -14.615 4.854 1.00 23.53 H new ATOM 0 HD1 PHE B -7 8.527 -15.080 4.641 1.00 63.34 H new ATOM 0 HD2 PHE B -7 12.335 -15.900 2.916 1.00 13.01 H new ATOM 0 HE1 PHE B -7 7.426 -16.146 2.720 1.00 64.21 H new ATOM 0 HE2 PHE B -7 11.237 -16.966 0.993 1.00 3.25 H new ATOM 0 HZ PHE B -7 8.779 -17.088 0.891 1.00 42.00 H new ATOM 1961 N ILE B -6 12.042 -13.709 7.582 1.00 23.43 N ATOM 1962 CA ILE B -6 12.923 -13.062 8.546 1.00 5.20 C ATOM 1963 C ILE B -6 14.367 -13.520 8.366 1.00 34.53 C ATOM 1964 O ILE B -6 14.888 -14.327 9.136 1.00 3.05 O ATOM 1965 CB ILE B -6 12.482 -13.348 9.993 1.00 21.25 C ATOM 1966 CG1 ILE B -6 10.980 -13.102 10.150 1.00 2.20 C ATOM 1967 CG2 ILE B -6 13.270 -12.486 10.968 1.00 43.30 C ATOM 1968 CD1 ILE B -6 10.555 -11.700 9.772 1.00 22.13 C ATOM 0 H ILE B -6 11.448 -13.068 7.056 1.00 23.43 H new ATOM 0 HA ILE B -6 12.859 -11.990 8.361 1.00 5.20 H new ATOM 0 HB ILE B -6 12.685 -14.395 10.218 1.00 21.25 H new ATOM 0 HG12 ILE B -6 10.436 -13.817 9.532 1.00 2.20 H new ATOM 0 HG13 ILE B -6 10.695 -13.293 11.185 1.00 2.20 H new ATOM 0 HG21 ILE B -6 12.946 -12.700 11.987 1.00 43.30 H new ATOM 0 HG22 ILE B -6 14.333 -12.706 10.871 1.00 43.30 H new ATOM 0 HG23 ILE B -6 13.096 -11.433 10.746 1.00 43.30 H new ATOM 0 HD11 ILE B -6 9.478 -11.597 9.908 1.00 22.13 H new ATOM 0 HD12 ILE B -6 11.071 -10.980 10.407 1.00 22.13 H new ATOM 0 HD13 ILE B -6 10.809 -11.512 8.729 1.00 22.13 H new ATOM 1980 N PRO B -5 15.030 -12.994 7.326 1.00 75.12 N ATOM 1981 CA PRO B -5 16.423 -13.333 7.022 1.00 72.15 C ATOM 1982 C PRO B -5 17.395 -12.769 8.052 1.00 20.21 C ATOM 1983 O PRO B -5 17.682 -11.572 8.059 1.00 35.02 O ATOM 1984 CB PRO B -5 16.656 -12.683 5.655 1.00 33.52 C ATOM 1985 CG PRO B -5 15.675 -11.563 5.596 1.00 24.33 C ATOM 1986 CD PRO B -5 14.470 -12.027 6.367 1.00 41.13 C ATOM 0 HA PRO B -5 16.592 -14.410 7.032 1.00 72.15 H new ATOM 0 HB2 PRO B -5 17.679 -12.319 5.559 1.00 33.52 H new ATOM 0 HB3 PRO B -5 16.494 -13.395 4.845 1.00 33.52 H new ATOM 0 HG2 PRO B -5 16.092 -10.656 6.033 1.00 24.33 H new ATOM 0 HG3 PRO B -5 15.412 -11.329 4.565 1.00 24.33 H new ATOM 0 HD2 PRO B -5 13.974 -11.199 6.874 1.00 41.13 H new ATOM 0 HD3 PRO B -5 13.730 -12.491 5.715 1.00 41.13 H new ATOM 1994 N SER B -4 17.900 -13.639 8.921 1.00 33.20 N ATOM 1995 CA SER B -4 18.838 -13.227 9.959 1.00 53.24 C ATOM 1996 C SER B -4 20.277 -13.475 9.519 1.00 24.32 C ATOM 1997 O SER B -4 21.216 -13.282 10.292 1.00 10.41 O ATOM 1998 CB SER B -4 18.553 -13.978 11.261 1.00 50.42 C ATOM 1999 OG SER B -4 19.542 -13.699 12.237 1.00 54.41 O ATOM 0 H SER B -4 17.675 -14.634 8.927 1.00 33.20 H new ATOM 0 HA SER B -4 18.708 -12.158 10.129 1.00 53.24 H new ATOM 0 HB2 SER B -4 17.572 -13.694 11.641 1.00 50.42 H new ATOM 0 HB3 SER B -4 18.521 -15.050 11.067 1.00 50.42 H new ATOM 0 HG SER B -4 20.305 -13.255 11.812 1.00 54.41 H new ATOM 2005 N ARG B -3 20.443 -13.906 8.273 1.00 41.42 N ATOM 2006 CA ARG B -3 21.768 -14.182 7.730 1.00 74.32 C ATOM 2007 C ARG B -3 22.701 -12.994 7.942 1.00 24.45 C ATOM 2008 O ARG B -3 22.268 -11.871 8.201 1.00 22.44 O ATOM 2009 CB ARG B -3 21.673 -14.509 6.238 1.00 35.34 C ATOM 2010 CG ARG B -3 21.766 -15.995 5.934 1.00 71.54 C ATOM 2011 CD ARG B -3 20.691 -16.783 6.666 1.00 54.03 C ATOM 2012 NE ARG B -3 20.601 -18.161 6.190 1.00 44.34 N ATOM 2013 CZ ARG B -3 19.952 -18.517 5.087 1.00 50.52 C ATOM 2014 NH1 ARG B -3 19.339 -17.601 4.350 1.00 15.30 N ATOM 2015 NH2 ARG B -3 19.916 -19.791 4.719 1.00 53.23 N ATOM 0 H ARG B -3 19.677 -14.072 7.620 1.00 41.42 H new ATOM 0 HA ARG B -3 22.178 -15.043 8.259 1.00 74.32 H new ATOM 0 HB2 ARG B -3 20.729 -14.126 5.850 1.00 35.34 H new ATOM 0 HB3 ARG B -3 22.471 -13.988 5.709 1.00 35.34 H new ATOM 0 HG2 ARG B -3 21.668 -16.154 4.860 1.00 71.54 H new ATOM 0 HG3 ARG B -3 22.750 -16.365 6.222 1.00 71.54 H new ATOM 0 HD2 ARG B -3 20.906 -16.782 7.735 1.00 54.03 H new ATOM 0 HD3 ARG B -3 19.728 -16.290 6.534 1.00 54.03 H new ATOM 0 HE ARG B -3 21.062 -18.890 6.735 1.00 44.34 H new ATOM 0 HH11 ARG B -3 19.365 -16.620 4.630 1.00 15.30 H new ATOM 0 HH12 ARG B -3 18.841 -17.877 3.503 1.00 15.30 H new ATOM 0 HH21 ARG B -3 20.387 -20.498 5.283 1.00 53.23 H new ATOM 0 HH22 ARG B -3 19.417 -20.063 3.872 1.00 53.23 H new ATOM 2029 N PRO B -2 24.014 -13.246 7.832 1.00 62.14 N ATOM 2030 CA PRO B -2 25.036 -12.210 8.008 1.00 64.31 C ATOM 2031 C PRO B -2 25.035 -11.195 6.870 1.00 2.03 C ATOM 2032 O PRO B -2 25.561 -10.091 7.011 1.00 73.15 O ATOM 2033 CB PRO B -2 26.346 -13.002 8.016 1.00 22.53 C ATOM 2034 CG PRO B -2 26.044 -14.242 7.246 1.00 4.45 C ATOM 2035 CD PRO B -2 24.602 -14.561 7.525 1.00 74.11 C ATOM 0 HA PRO B -2 24.870 -11.624 8.912 1.00 64.31 H new ATOM 0 HB2 PRO B -2 27.154 -12.435 7.553 1.00 22.53 H new ATOM 0 HB3 PRO B -2 26.662 -13.235 9.033 1.00 22.53 H new ATOM 0 HG2 PRO B -2 26.211 -14.090 6.180 1.00 4.45 H new ATOM 0 HG3 PRO B -2 26.692 -15.062 7.556 1.00 4.45 H new ATOM 0 HD2 PRO B -2 24.120 -15.026 6.665 1.00 74.11 H new ATOM 0 HD3 PRO B -2 24.498 -15.253 8.361 1.00 74.11 H new ATOM 2043 N ALA B -1 24.441 -11.576 5.744 1.00 2.21 N ATOM 2044 CA ALA B -1 24.370 -10.697 4.583 1.00 33.13 C ATOM 2045 C ALA B -1 25.761 -10.391 4.040 1.00 62.44 C ATOM 2046 O ALA B -1 26.357 -9.356 4.338 1.00 53.24 O ATOM 2047 CB ALA B -1 23.646 -9.408 4.941 1.00 13.42 C ATOM 0 H ALA B -1 24.002 -12.487 5.611 1.00 2.21 H new ATOM 0 HA ALA B -1 23.809 -11.211 3.803 1.00 33.13 H new ATOM 0 HB1 ALA B -1 23.600 -8.761 4.065 1.00 13.42 H new ATOM 0 HB2 ALA B -1 22.634 -9.639 5.274 1.00 13.42 H new ATOM 0 HB3 ALA B -1 24.184 -8.899 5.741 1.00 13.42 H new ATOM 2053 N PRO B 0 26.294 -11.313 3.223 1.00 1.34 N ATOM 2054 CA PRO B 0 27.622 -11.164 2.621 1.00 2.52 C ATOM 2055 C PRO B 0 27.660 -10.064 1.565 1.00 32.22 C ATOM 2056 O PRO B 0 26.719 -9.903 0.788 1.00 53.11 O ATOM 2057 CB PRO B 0 27.876 -12.530 1.980 1.00 45.01 C ATOM 2058 CG PRO B 0 26.519 -13.084 1.717 1.00 14.40 C ATOM 2059 CD PRO B 0 25.641 -12.571 2.825 1.00 52.10 C ATOM 0 HA PRO B 0 28.373 -10.877 3.357 1.00 2.52 H new ATOM 0 HB2 PRO B 0 28.450 -12.434 1.058 1.00 45.01 H new ATOM 0 HB3 PRO B 0 28.446 -13.179 2.644 1.00 45.01 H new ATOM 0 HG2 PRO B 0 26.148 -12.762 0.744 1.00 14.40 H new ATOM 0 HG3 PRO B 0 26.538 -14.174 1.706 1.00 14.40 H new ATOM 0 HD2 PRO B 0 24.620 -12.403 2.483 1.00 52.10 H new ATOM 0 HD3 PRO B 0 25.588 -13.276 3.655 1.00 52.10 H new ATOM 2067 N LYS B 1 28.753 -9.310 1.542 1.00 43.32 N ATOM 2068 CA LYS B 1 28.915 -8.226 0.580 1.00 3.10 C ATOM 2069 C LYS B 1 29.159 -8.775 -0.822 1.00 42.31 C ATOM 2070 O LYS B 1 29.548 -9.929 -1.004 1.00 55.22 O ATOM 2071 CB LYS B 1 30.077 -7.319 0.993 1.00 15.04 C ATOM 2072 CG LYS B 1 29.669 -6.200 1.936 1.00 55.35 C ATOM 2073 CD LYS B 1 30.728 -5.112 2.001 1.00 54.00 C ATOM 2074 CE LYS B 1 31.920 -5.545 2.840 1.00 1.10 C ATOM 2075 NZ LYS B 1 31.556 -5.719 4.273 1.00 32.04 N ATOM 0 H LYS B 1 29.541 -9.429 2.179 1.00 43.32 H new ATOM 0 HA LYS B 1 27.994 -7.644 0.568 1.00 3.10 H new ATOM 0 HB2 LYS B 1 30.847 -7.924 1.472 1.00 15.04 H new ATOM 0 HB3 LYS B 1 30.524 -6.885 0.099 1.00 15.04 H new ATOM 0 HG2 LYS B 1 28.724 -5.770 1.604 1.00 55.35 H new ATOM 0 HG3 LYS B 1 29.502 -6.606 2.934 1.00 55.35 H new ATOM 0 HD2 LYS B 1 31.061 -4.866 0.993 1.00 54.00 H new ATOM 0 HD3 LYS B 1 30.294 -4.205 2.423 1.00 54.00 H new ATOM 0 HE2 LYS B 1 32.317 -6.482 2.450 1.00 1.10 H new ATOM 0 HE3 LYS B 1 32.713 -4.802 2.754 1.00 1.10 H new ATOM 0 HZ1 LYS B 1 32.416 -5.678 4.857 1.00 32.04 H new ATOM 0 HZ2 LYS B 1 30.905 -4.960 4.560 1.00 32.04 H new ATOM 0 HZ3 LYS B 1 31.093 -6.641 4.404 1.00 32.04 H new ATOM 2089 N PRO B 2 28.928 -7.930 -1.838 1.00 1.32 N ATOM 2090 CA PRO B 2 29.118 -8.308 -3.241 1.00 64.02 C ATOM 2091 C PRO B 2 30.590 -8.490 -3.598 1.00 54.23 C ATOM 2092 O PRO B 2 31.487 -8.116 -2.843 1.00 43.44 O ATOM 2093 CB PRO B 2 28.523 -7.126 -4.011 1.00 24.21 C ATOM 2094 CG PRO B 2 28.633 -5.971 -3.076 1.00 63.42 C ATOM 2095 CD PRO B 2 28.464 -6.540 -1.694 1.00 51.43 C ATOM 0 HA PRO B 2 28.649 -9.264 -3.473 1.00 64.02 H new ATOM 0 HB2 PRO B 2 29.070 -6.940 -4.936 1.00 24.21 H new ATOM 0 HB3 PRO B 2 27.485 -7.315 -4.287 1.00 24.21 H new ATOM 0 HG2 PRO B 2 29.599 -5.476 -3.179 1.00 63.42 H new ATOM 0 HG3 PRO B 2 27.868 -5.224 -3.287 1.00 63.42 H new ATOM 0 HD2 PRO B 2 29.055 -5.993 -0.959 1.00 51.43 H new ATOM 0 HD3 PRO B 2 27.426 -6.495 -1.365 1.00 51.43 H new ATOM 2103 N PRO B 3 30.845 -9.078 -4.777 1.00 2.45 N ATOM 2104 CA PRO B 3 32.207 -9.321 -5.261 1.00 22.23 C ATOM 2105 C PRO B 3 32.928 -8.031 -5.637 1.00 23.33 C ATOM 2106 O PRO B 3 32.914 -7.616 -6.795 1.00 53.13 O ATOM 2107 CB PRO B 3 31.992 -10.194 -6.499 1.00 65.45 C ATOM 2108 CG PRO B 3 30.618 -9.858 -6.966 1.00 62.31 C ATOM 2109 CD PRO B 3 29.824 -9.549 -5.727 1.00 62.11 C ATOM 0 HA PRO B 3 32.834 -9.784 -4.499 1.00 22.23 H new ATOM 0 HB2 PRO B 3 32.735 -9.980 -7.268 1.00 65.45 H new ATOM 0 HB3 PRO B 3 32.080 -11.253 -6.257 1.00 65.45 H new ATOM 0 HG2 PRO B 3 30.634 -9.004 -7.643 1.00 62.31 H new ATOM 0 HG3 PRO B 3 30.178 -10.691 -7.514 1.00 62.31 H new ATOM 0 HD2 PRO B 3 29.067 -8.787 -5.914 1.00 62.11 H new ATOM 0 HD3 PRO B 3 29.303 -10.431 -5.353 1.00 62.11 H new