USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot 180:sc= 0.724 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.758 K(o=1.5,f=0.045) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= -0.193 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -142:sc= 0.476 (180deg=0.00375) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.435 USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.036) USER MOD Single : A 1 MET N :NH3+ 175:sc= 1.58 (180deg=1.51) USER MOD Single : A 2 GLN : amide:sc= 0.632 K(o=0.63,f=-0.99) USER MOD Single : A 11 LYS NZ :NH3+ -172:sc= 1.3 (180deg=1.14) USER MOD Single : A 14 THR OG1 : rot -49:sc= 0.525 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= 1.25 (180deg=1.03) USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= 1.24 (180deg=1.17) USER MOD Single : A 31 GLN : amide:sc= -0.149 K(o=-0.15,f=-0.86) USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.07) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= 0.943 K(o=0.94,f=-3.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -39:sc= 1.31 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.655 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.299 K(o=0.3,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.688 -7.359 -4.502 1.00 9.67 N ATOM 2 CA MET A 1 11.385 -7.720 -3.102 1.00 10.38 C ATOM 3 C MET A 1 9.930 -7.887 -2.815 1.00 9.62 C ATOM 4 O MET A 1 9.055 -7.426 -3.509 1.00 9.62 O ATOM 5 CB MET A 1 11.831 -6.557 -2.135 1.00 13.77 C ATOM 6 CG MET A 1 11.359 -5.125 -2.403 1.00 16.29 C ATOM 7 SD MET A 1 12.105 -3.886 -1.287 1.00 17.17 S ATOM 8 CE MET A 1 10.725 -2.693 -1.648 1.00 16.11 C ATOM 0 H1 MET A 1 12.707 -7.179 -4.601 1.00 9.67 H new ATOM 0 H2 MET A 1 11.412 -8.141 -5.130 1.00 9.67 H new ATOM 0 H3 MET A 1 11.158 -6.503 -4.762 1.00 9.67 H new ATOM 0 HA MET A 1 11.912 -8.662 -2.948 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.504 -6.825 -1.130 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.921 -6.544 -2.122 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.594 -4.861 -3.434 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.274 -5.085 -2.303 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.903 -1.758 -1.116 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.683 -2.498 -2.720 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.778 -3.122 -1.320 1.00 16.11 H new ATOM 20 N GLN A 2 9.620 -8.739 -1.826 1.00 9.27 N ATOM 21 CA GLN A 2 8.235 -9.022 -1.519 1.00 9.07 C ATOM 22 C GLN A 2 7.844 -8.402 -0.191 1.00 8.72 C ATOM 23 O GLN A 2 8.573 -8.471 0.804 1.00 8.22 O ATOM 24 CB GLN A 2 7.832 -10.570 -1.566 1.00 14.46 C ATOM 25 CG GLN A 2 8.033 -11.125 -2.993 1.00 17.01 C ATOM 26 CD GLN A 2 7.611 -12.624 -3.088 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.253 -13.235 -2.084 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.674 -13.212 -4.301 1.00 19.49 N ATOM 0 H GLN A 2 10.301 -9.227 -1.245 1.00 9.27 H new ATOM 0 HA GLN A 2 7.665 -8.560 -2.325 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.440 -11.134 -0.859 1.00 14.46 H new ATOM 0 HB3 GLN A 2 6.792 -10.693 -1.262 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.448 -10.536 -3.699 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.079 -11.021 -3.281 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.976 -12.674 -5.113 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.420 -14.194 -4.405 1.00 19.49 H new ATOM 37 N ILE A 3 6.668 -7.755 -0.180 1.00 5.87 N ATOM 38 CA ILE A 3 6.127 -7.216 1.039 1.00 5.07 C ATOM 39 C ILE A 3 4.863 -7.957 1.398 1.00 4.01 C ATOM 40 O ILE A 3 4.344 -8.657 0.588 1.00 4.61 O ATOM 41 CB ILE A 3 5.763 -5.741 0.833 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.774 -5.526 -0.398 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.110 -4.963 0.574 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.281 -4.047 -0.442 1.00 10.83 C ATOM 0 H ILE A 3 6.090 -7.602 -1.006 1.00 5.87 H new ATOM 0 HA ILE A 3 6.870 -7.318 1.830 1.00 5.07 H new ATOM 0 HB ILE A 3 5.244 -5.373 1.718 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.282 -5.775 -1.330 1.00 4.72 H new ATOM 0 HG13 ILE A 3 3.921 -6.199 -0.310 1.00 4.72 H new ATOM 0 HG21 ILE A 3 6.896 -3.905 0.422 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.769 -5.080 1.435 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.598 -5.366 -0.314 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.606 -3.913 -1.287 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.755 -3.811 0.483 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.137 -3.381 -0.552 1.00 10.83 H new ATOM 56 N PHE A 4 4.410 -7.829 2.645 1.00 4.55 N ATOM 57 CA PHE A 4 3.090 -8.127 3.144 1.00 4.68 C ATOM 58 C PHE A 4 2.221 -6.888 3.365 1.00 5.30 C ATOM 59 O PHE A 4 2.702 -5.783 3.687 1.00 5.58 O ATOM 60 CB PHE A 4 3.235 -8.974 4.419 1.00 4.83 C ATOM 61 CG PHE A 4 3.957 -10.241 4.131 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.310 -11.251 3.341 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.268 -10.462 4.642 1.00 8.34 C ATOM 64 CE1 PHE A 4 3.918 -12.465 3.169 1.00 9.10 C ATOM 65 CE2 PHE A 4 5.870 -11.723 4.426 1.00 10.61 C ATOM 66 CZ PHE A 4 5.214 -12.717 3.720 1.00 8.90 C ATOM 0 H PHE A 4 5.019 -7.483 3.387 1.00 4.55 H new ATOM 0 HA PHE A 4 2.554 -8.693 2.382 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.774 -8.407 5.178 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.249 -9.197 4.827 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.351 -11.054 2.886 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.790 -9.685 5.181 1.00 8.34 H new ATOM 0 HE1 PHE A 4 3.414 -13.241 2.612 1.00 9.10 H new ATOM 0 HE2 PHE A 4 6.858 -11.914 4.818 1.00 10.61 H new ATOM 0 HZ PHE A 4 5.680 -13.682 3.585 1.00 8.90 H new ATOM 76 N VAL A 5 0.857 -6.970 3.096 1.00 4.44 N ATOM 77 CA VAL A 5 -0.026 -5.845 3.226 1.00 3.87 C ATOM 78 C VAL A 5 -1.258 -6.381 3.988 1.00 4.93 C ATOM 79 O VAL A 5 -1.940 -7.318 3.571 1.00 6.84 O ATOM 80 CB VAL A 5 -0.452 -5.161 1.894 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.344 -3.917 2.213 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.825 -4.702 1.164 1.00 9.13 C ATOM 0 H VAL A 5 0.395 -7.826 2.791 1.00 4.44 H new ATOM 0 HA VAL A 5 0.501 -5.047 3.749 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.017 -5.855 1.272 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.644 -3.436 1.282 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.232 -4.236 2.759 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.779 -3.210 2.821 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.554 -4.218 0.226 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.369 -3.996 1.792 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.457 -5.566 0.958 1.00 9.13 H new ATOM 92 N LYS A 6 -1.373 -5.846 5.202 1.00 6.04 N ATOM 93 CA LYS A 6 -2.191 -6.347 6.269 1.00 6.12 C ATOM 94 C LYS A 6 -3.233 -5.314 6.646 1.00 6.57 C ATOM 95 O LYS A 6 -2.951 -4.110 6.817 1.00 5.76 O ATOM 96 CB LYS A 6 -1.315 -6.758 7.500 1.00 7.45 C ATOM 97 CG LYS A 6 -2.179 -7.549 8.531 1.00 11.12 C ATOM 98 CD LYS A 6 -1.320 -8.007 9.694 1.00 14.54 C ATOM 99 CE LYS A 6 -1.903 -8.979 10.698 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.888 -10.320 10.109 1.00 20.55 N ATOM 0 H LYS A 6 -0.863 -5.004 5.467 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.707 -7.245 5.929 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.476 -7.371 7.171 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.895 -5.869 7.971 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.991 -6.919 8.895 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.637 -8.411 8.047 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.420 -8.462 9.280 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.005 -7.118 10.241 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.323 -8.964 11.621 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.922 -8.690 10.957 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.751 -10.830 10.385 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.847 -10.244 9.073 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.055 -10.840 10.451 1.00 20.55 H new ATOM 114 N THR A 7 -4.521 -5.744 6.667 1.00 7.41 N ATOM 115 CA THR A 7 -5.720 -4.956 7.000 1.00 7.48 C ATOM 116 C THR A 7 -6.047 -4.858 8.496 1.00 8.75 C ATOM 117 O THR A 7 -5.615 -5.690 9.353 1.00 8.58 O ATOM 118 CB THR A 7 -6.944 -5.247 6.244 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.587 -6.448 6.651 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.599 -5.482 4.760 1.00 9.17 C ATOM 0 H THR A 7 -4.756 -6.709 6.437 1.00 7.41 H new ATOM 0 HA THR A 7 -5.380 -3.978 6.659 1.00 7.48 H new ATOM 0 HB THR A 7 -7.594 -4.389 6.417 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.394 -6.585 6.113 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.511 -5.698 4.204 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.127 -4.589 4.350 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.914 -6.326 4.675 1.00 9.17 H new ATOM 128 N LEU A 8 -6.897 -3.898 8.886 1.00 9.84 N ATOM 129 CA LEU A 8 -7.293 -3.697 10.248 1.00 14.15 C ATOM 130 C LEU A 8 -8.086 -4.888 10.839 1.00 17.37 C ATOM 131 O LEU A 8 -8.101 -5.176 12.044 1.00 17.01 O ATOM 132 CB LEU A 8 -8.307 -2.476 10.464 1.00 16.63 C ATOM 133 CG LEU A 8 -7.758 -1.181 9.921 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.685 0.006 10.128 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.315 -0.934 10.459 1.00 18.59 C ATOM 0 H LEU A 8 -7.325 -3.238 8.236 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.329 -3.533 10.730 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.255 -2.701 9.975 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.516 -2.363 11.528 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.695 -1.284 8.838 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.226 0.903 9.713 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.634 -0.181 9.626 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.861 0.149 11.194 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -5.933 0.005 10.058 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -6.337 -0.881 11.548 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -5.666 -1.752 10.148 1.00 18.59 H new ATOM 147 N THR A 9 -8.689 -5.719 9.991 1.00 18.33 N ATOM 148 CA THR A 9 -9.420 -6.884 10.381 1.00 19.24 C ATOM 149 C THR A 9 -8.505 -8.135 10.488 1.00 19.48 C ATOM 150 O THR A 9 -8.859 -9.253 10.868 1.00 23.14 O ATOM 151 CB THR A 9 -10.659 -7.147 9.563 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.401 -7.165 8.176 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.759 -6.007 9.688 1.00 19.70 C ATOM 0 H THR A 9 -8.671 -5.579 8.981 1.00 18.33 H new ATOM 0 HA THR A 9 -9.793 -6.663 11.381 1.00 19.24 H new ATOM 0 HB THR A 9 -10.999 -8.105 9.957 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.234 -7.340 7.691 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.621 -6.264 9.073 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.070 -5.914 10.728 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.341 -5.059 9.349 1.00 19.70 H new ATOM 161 N GLY A 10 -7.223 -7.963 10.152 1.00 19.43 N ATOM 162 CA GLY A 10 -6.098 -8.911 10.269 1.00 18.74 C ATOM 163 C GLY A 10 -5.800 -9.547 8.974 1.00 17.62 C ATOM 164 O GLY A 10 -4.783 -10.181 8.826 1.00 19.74 O ATOM 0 H GLY A 10 -6.912 -7.077 9.754 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.214 -8.387 10.632 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.340 -9.677 11.006 1.00 18.74 H new ATOM 168 N LYS A 11 -6.653 -9.363 7.980 1.00 13.56 N ATOM 169 CA LYS A 11 -6.371 -9.928 6.607 1.00 11.91 C ATOM 170 C LYS A 11 -5.025 -9.616 5.922 1.00 10.18 C ATOM 171 O LYS A 11 -4.686 -8.457 5.715 1.00 9.10 O ATOM 172 CB LYS A 11 -7.578 -9.662 5.701 1.00 13.43 C ATOM 173 CG LYS A 11 -7.480 -10.401 4.355 1.00 16.69 C ATOM 174 CD LYS A 11 -8.544 -10.000 3.339 1.00 17.92 C ATOM 175 CE LYS A 11 -8.208 -10.572 1.967 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.752 -9.766 0.862 1.00 21.93 N ATOM 0 H LYS A 11 -7.530 -8.848 8.060 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.227 -10.993 6.787 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.489 -9.970 6.215 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.662 -8.591 5.518 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.496 -10.218 3.924 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -7.554 -11.473 4.537 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -9.520 -10.362 3.662 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.610 -8.914 3.281 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.125 -10.639 1.862 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.599 -11.587 1.896 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.611 -10.270 -0.037 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.768 -9.608 1.015 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.261 -8.850 0.826 1.00 21.93 H new ATOM 190 N THR A 12 -4.204 -10.643 5.563 1.00 9.63 N ATOM 191 CA THR A 12 -2.862 -10.447 5.007 1.00 9.85 C ATOM 192 C THR A 12 -2.813 -10.831 3.567 1.00 11.66 C ATOM 193 O THR A 12 -3.437 -11.871 3.265 1.00 12.33 O ATOM 194 CB THR A 12 -1.657 -11.052 5.760 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.760 -10.825 7.138 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.344 -10.384 5.354 1.00 9.63 C ATOM 0 H THR A 12 -4.467 -11.624 5.657 1.00 9.63 H new ATOM 0 HA THR A 12 -2.722 -9.375 5.142 1.00 9.85 H new ATOM 0 HB THR A 12 -1.663 -12.114 5.513 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.987 -11.219 7.593 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.480 -10.837 5.905 1.00 9.63 H new ATOM 0 HG22 THR A 12 -0.183 -10.519 4.284 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.392 -9.319 5.582 1.00 9.63 H new ATOM 204 N ILE A 13 -2.076 -10.156 2.655 1.00 10.42 N ATOM 205 CA ILE A 13 -1.781 -10.538 1.256 1.00 11.84 C ATOM 206 C ILE A 13 -0.290 -10.146 1.097 1.00 10.55 C ATOM 207 O ILE A 13 0.247 -9.291 1.763 1.00 11.92 O ATOM 208 CB ILE A 13 -2.680 -9.932 0.180 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.586 -8.380 0.266 1.00 14.87 C ATOM 210 CG2 ILE A 13 -4.112 -10.445 0.421 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.161 -7.685 -1.023 1.00 16.46 C ATOM 0 H ILE A 13 -1.641 -9.266 2.896 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.984 -11.597 1.095 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.372 -10.224 -0.824 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.134 -8.031 1.141 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.545 -8.086 0.403 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.779 -10.029 -0.333 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -4.125 -11.533 0.356 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.447 -10.137 1.411 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.076 -6.603 -0.922 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.596 -8.013 -1.896 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.209 -7.957 -1.146 1.00 16.46 H new ATOM 223 N THR A 14 0.356 -10.804 0.111 1.00 9.39 N ATOM 224 CA THR A 14 1.742 -10.767 -0.252 1.00 9.63 C ATOM 225 C THR A 14 1.903 -10.007 -1.553 1.00 11.20 C ATOM 226 O THR A 14 1.129 -10.151 -2.503 1.00 11.63 O ATOM 227 CB THR A 14 2.323 -12.209 -0.455 1.00 10.38 C ATOM 228 OG1 THR A 14 2.064 -13.004 0.663 1.00 16.30 O ATOM 229 CG2 THR A 14 3.810 -12.244 -0.888 1.00 11.66 C ATOM 0 H THR A 14 -0.160 -11.436 -0.501 1.00 9.39 H new ATOM 0 HA THR A 14 2.283 -10.277 0.558 1.00 9.63 H new ATOM 0 HB THR A 14 1.795 -12.638 -1.307 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.327 -12.522 1.475 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.130 -13.279 -1.006 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.925 -11.718 -1.836 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.422 -11.759 -0.127 1.00 11.66 H new ATOM 237 N LEU A 15 2.971 -9.092 -1.753 1.00 8.29 N ATOM 238 CA LEU A 15 3.171 -8.542 -3.093 1.00 9.03 C ATOM 239 C LEU A 15 4.555 -8.344 -3.518 1.00 8.59 C ATOM 240 O LEU A 15 5.374 -7.961 -2.695 1.00 7.79 O ATOM 241 CB LEU A 15 2.508 -7.156 -3.061 1.00 11.08 C ATOM 242 CG LEU A 15 2.500 -6.334 -4.370 1.00 15.79 C ATOM 243 CD1 LEU A 15 2.015 -7.194 -5.570 1.00 15.88 C ATOM 244 CD2 LEU A 15 1.627 -5.056 -4.228 1.00 15.27 C ATOM 0 H LEU A 15 3.625 -8.775 -1.037 1.00 8.29 H new ATOM 0 HA LEU A 15 2.758 -9.263 -3.798 1.00 9.03 H new ATOM 0 HB2 LEU A 15 1.474 -7.286 -2.740 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.008 -6.563 -2.295 1.00 11.08 H new ATOM 0 HG LEU A 15 3.526 -6.023 -4.566 1.00 15.79 H new ATOM 0 HD11 LEU A 15 2.020 -6.589 -6.477 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.681 -8.047 -5.699 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.003 -7.550 -5.377 1.00 15.88 H new ATOM 0 HD21 LEU A 15 1.642 -4.499 -5.165 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.602 -5.340 -3.991 1.00 15.27 H new ATOM 0 HD23 LEU A 15 2.024 -4.431 -3.428 1.00 15.27 H new ATOM 256 N GLU A 16 4.947 -8.661 -4.829 1.00 11.04 N ATOM 257 CA GLU A 16 6.319 -8.481 -5.338 1.00 11.50 C ATOM 258 C GLU A 16 6.423 -7.030 -5.890 1.00 10.13 C ATOM 259 O GLU A 16 5.561 -6.616 -6.644 1.00 9.83 O ATOM 260 CB GLU A 16 6.705 -9.506 -6.449 1.00 17.22 C ATOM 261 CG GLU A 16 8.213 -9.423 -6.916 1.00 23.33 C ATOM 262 CD GLU A 16 9.225 -10.210 -6.190 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.187 -11.488 -6.101 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.231 -9.589 -5.686 1.00 28.90 O ATOM 0 H GLU A 16 4.303 -9.040 -5.523 1.00 11.04 H new ATOM 0 HA GLU A 16 7.018 -8.655 -4.520 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.505 -10.513 -6.083 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.060 -9.347 -7.313 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.251 -9.722 -7.963 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.515 -8.377 -6.872 1.00 23.33 H new ATOM 271 N VAL A 17 7.474 -6.315 -5.500 1.00 8.99 N ATOM 272 CA VAL A 17 7.630 -4.869 -5.847 1.00 8.85 C ATOM 273 C VAL A 17 9.124 -4.493 -5.895 1.00 8.04 C ATOM 274 O VAL A 17 9.972 -5.174 -5.354 1.00 8.99 O ATOM 275 CB VAL A 17 6.985 -3.897 -4.874 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.501 -3.819 -5.094 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.324 -4.331 -3.428 1.00 10.54 C ATOM 0 H VAL A 17 8.240 -6.695 -4.944 1.00 8.99 H new ATOM 0 HA VAL A 17 7.127 -4.774 -6.809 1.00 8.85 H new ATOM 0 HB VAL A 17 7.382 -2.896 -5.044 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.064 -3.116 -4.384 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.301 -3.480 -6.110 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.059 -4.805 -4.947 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.865 -3.638 -2.723 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.941 -5.336 -3.251 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.405 -4.325 -3.290 1.00 10.54 H new ATOM 287 N GLU A 18 9.496 -3.433 -6.539 1.00 7.29 N ATOM 288 CA GLU A 18 10.763 -2.804 -6.479 1.00 7.08 C ATOM 289 C GLU A 18 10.636 -1.552 -5.580 1.00 6.45 C ATOM 290 O GLU A 18 9.534 -1.218 -5.263 1.00 5.28 O ATOM 291 CB GLU A 18 11.266 -2.543 -7.899 1.00 10.28 C ATOM 292 CG GLU A 18 11.708 -3.877 -8.702 1.00 12.65 C ATOM 293 CD GLU A 18 11.885 -3.699 -10.192 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.772 -3.553 -10.802 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.981 -3.633 -10.711 1.00 14.33 O ATOM 0 H GLU A 18 8.860 -2.949 -7.173 1.00 7.29 H new ATOM 0 HA GLU A 18 11.525 -3.434 -6.021 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.483 -2.036 -8.462 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.116 -1.862 -7.852 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.645 -4.242 -8.281 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.959 -4.650 -8.531 1.00 12.65 H new ATOM 302 N PRO A 19 11.705 -0.954 -5.109 1.00 7.24 N ATOM 303 CA PRO A 19 11.637 0.156 -4.132 1.00 7.07 C ATOM 304 C PRO A 19 11.358 1.422 -4.869 1.00 6.65 C ATOM 305 O PRO A 19 10.856 2.355 -4.232 1.00 6.37 O ATOM 306 CB PRO A 19 12.975 0.247 -3.483 1.00 7.61 C ATOM 307 CG PRO A 19 13.916 -0.333 -4.541 1.00 8.16 C ATOM 308 CD PRO A 19 13.089 -1.438 -5.196 1.00 7.49 C ATOM 0 HA PRO A 19 10.856 -0.009 -3.390 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.233 1.277 -3.235 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.012 -0.323 -2.555 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.219 0.423 -5.265 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.828 -0.728 -4.093 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.390 -1.600 -6.231 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.212 -2.388 -4.676 1.00 7.49 H new ATOM 316 N SER A 20 11.610 1.581 -6.187 1.00 6.80 N ATOM 317 CA SER A 20 11.377 2.821 -6.938 1.00 6.28 C ATOM 318 C SER A 20 10.040 2.898 -7.547 1.00 8.45 C ATOM 319 O SER A 20 9.624 3.905 -8.159 1.00 7.26 O ATOM 320 CB SER A 20 12.393 2.945 -8.130 1.00 8.57 C ATOM 321 OG SER A 20 13.763 2.955 -7.673 1.00 11.13 O ATOM 0 H SER A 20 11.989 0.831 -6.765 1.00 6.80 H new ATOM 0 HA SER A 20 11.492 3.616 -6.201 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.247 2.113 -8.819 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.190 3.860 -8.686 1.00 8.57 H new ATOM 0 HG SER A 20 14.364 3.032 -8.443 1.00 11.13 H new ATOM 327 N ASP A 21 9.196 1.824 -7.385 1.00 7.50 N ATOM 328 CA ASP A 21 7.776 1.767 -7.687 1.00 7.70 C ATOM 329 C ASP A 21 7.042 2.678 -6.746 1.00 7.08 C ATOM 330 O ASP A 21 7.299 2.696 -5.557 1.00 8.11 O ATOM 331 CB ASP A 21 7.247 0.283 -7.562 1.00 11.00 C ATOM 332 CG ASP A 21 7.813 -0.520 -8.705 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.147 0.054 -9.757 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.960 -1.735 -8.547 1.00 14.36 O ATOM 0 H ASP A 21 9.539 0.937 -7.016 1.00 7.50 H new ATOM 0 HA ASP A 21 7.604 2.096 -8.712 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.550 -0.149 -6.608 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.157 0.265 -7.588 1.00 11.00 H new ATOM 339 N THR A 22 6.059 3.421 -7.336 1.00 5.37 N ATOM 340 CA THR A 22 5.273 4.413 -6.523 1.00 6.01 C ATOM 341 C THR A 22 4.208 3.661 -5.763 1.00 8.01 C ATOM 342 O THR A 22 3.834 2.519 -6.022 1.00 8.11 O ATOM 343 CB THR A 22 4.611 5.509 -7.289 1.00 8.92 C ATOM 344 OG1 THR A 22 3.883 4.985 -8.412 1.00 10.22 O ATOM 345 CG2 THR A 22 5.709 6.434 -7.874 1.00 9.65 C ATOM 0 H THR A 22 5.797 3.363 -8.320 1.00 5.37 H new ATOM 0 HA THR A 22 6.004 4.906 -5.882 1.00 6.01 H new ATOM 0 HB THR A 22 3.936 6.035 -6.614 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.457 5.722 -8.898 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.242 7.242 -8.438 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.302 6.854 -7.061 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.356 5.857 -8.535 1.00 9.65 H new ATOM 353 N ILE A 23 3.673 4.399 -4.761 1.00 8.32 N ATOM 354 CA ILE A 23 2.569 4.015 -3.930 1.00 9.92 C ATOM 355 C ILE A 23 1.319 3.885 -4.804 1.00 10.01 C ATOM 356 O ILE A 23 0.531 2.962 -4.685 1.00 8.71 O ATOM 357 CB ILE A 23 2.393 4.861 -2.659 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.602 4.753 -1.714 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.064 4.521 -1.881 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.049 3.312 -1.291 1.00 12.30 C ATOM 0 H ILE A 23 4.038 5.321 -4.520 1.00 8.32 H new ATOM 0 HA ILE A 23 2.784 3.037 -3.499 1.00 9.92 H new ATOM 0 HB ILE A 23 2.322 5.892 -3.005 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.450 5.244 -2.192 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.376 5.317 -0.809 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.992 5.148 -0.992 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.206 4.707 -2.527 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.074 3.472 -1.585 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.910 3.379 -0.626 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.229 2.814 -0.774 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.320 2.740 -2.178 1.00 12.30 H new ATOM 372 N GLU A 24 1.150 4.813 -5.787 1.00 9.54 N ATOM 373 CA GLU A 24 0.058 4.753 -6.787 1.00 11.81 C ATOM 374 C GLU A 24 0.123 3.446 -7.621 1.00 11.14 C ATOM 375 O GLU A 24 -0.886 2.811 -7.826 1.00 10.62 O ATOM 376 CB GLU A 24 0.236 5.940 -7.736 1.00 19.24 C ATOM 377 CG GLU A 24 -0.629 5.969 -9.046 1.00 27.76 C ATOM 378 CD GLU A 24 -0.423 7.408 -9.662 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.703 7.971 -9.669 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.422 7.956 -10.119 1.00 36.51 O ATOM 0 H GLU A 24 1.766 5.618 -5.904 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.901 4.781 -6.270 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.025 6.851 -7.176 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.286 5.981 -8.027 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.309 5.195 -9.744 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.680 5.784 -8.825 1.00 27.76 H new ATOM 387 N ASN A 25 1.273 3.006 -8.101 1.00 9.43 N ATOM 388 CA ASN A 25 1.507 1.685 -8.709 1.00 10.96 C ATOM 389 C ASN A 25 1.203 0.509 -7.756 1.00 9.68 C ATOM 390 O ASN A 25 0.725 -0.536 -8.191 1.00 9.33 O ATOM 391 CB ASN A 25 2.995 1.429 -9.269 1.00 16.78 C ATOM 392 CG ASN A 25 3.209 2.056 -10.624 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.979 1.445 -11.670 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.887 3.256 -10.738 1.00 24.70 N ATOM 0 H ASN A 25 2.117 3.579 -8.082 1.00 9.43 H new ATOM 0 HA ASN A 25 0.810 1.714 -9.546 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.721 1.834 -8.564 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.178 0.356 -9.334 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.171 3.596 -11.657 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.103 3.801 -9.903 1.00 24.70 H new ATOM 401 N VAL A 26 1.485 0.595 -6.449 1.00 6.52 N ATOM 402 CA VAL A 26 1.210 -0.450 -5.440 1.00 5.53 C ATOM 403 C VAL A 26 -0.289 -0.768 -5.264 1.00 4.42 C ATOM 404 O VAL A 26 -0.620 -1.935 -5.320 1.00 3.40 O ATOM 405 CB VAL A 26 1.772 -0.153 -4.050 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.106 -0.902 -2.911 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.301 -0.479 -3.981 1.00 8.12 C ATOM 0 H VAL A 26 1.927 1.421 -6.046 1.00 6.52 H new ATOM 0 HA VAL A 26 1.728 -1.311 -5.862 1.00 5.53 H new ATOM 0 HB VAL A 26 1.570 0.909 -3.914 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.576 -0.623 -1.968 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.047 -0.647 -2.878 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.216 -1.975 -3.067 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.675 -0.259 -2.981 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.458 -1.535 -4.203 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.836 0.129 -4.711 1.00 8.12 H new ATOM 417 N LYS A 27 -1.117 0.259 -5.117 1.00 2.64 N ATOM 418 CA LYS A 27 -2.537 0.133 -5.061 1.00 4.14 C ATOM 419 C LYS A 27 -3.138 -0.500 -6.254 1.00 5.58 C ATOM 420 O LYS A 27 -4.030 -1.358 -6.183 1.00 4.11 O ATOM 421 CB LYS A 27 -3.113 1.615 -4.838 1.00 3.97 C ATOM 422 CG LYS A 27 -2.789 2.120 -3.429 1.00 7.45 C ATOM 423 CD LYS A 27 -3.095 3.588 -3.202 1.00 9.02 C ATOM 424 CE LYS A 27 -2.727 4.087 -1.813 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.272 5.459 -1.654 1.00 15.47 N ATOM 0 H LYS A 27 -0.793 1.222 -5.033 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.802 -0.539 -4.245 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.685 2.291 -5.578 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.192 1.617 -4.990 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.351 1.529 -2.706 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.732 1.947 -3.229 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.559 4.180 -3.944 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.159 3.757 -3.368 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.136 3.425 -1.050 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.645 4.091 -1.685 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.768 5.946 -0.885 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.145 5.988 -2.540 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.285 5.406 -1.425 1.00 15.47 H new ATOM 439 N ALA A 28 -2.574 -0.132 -7.416 1.00 6.61 N ATOM 440 CA ALA A 28 -2.991 -0.604 -8.708 1.00 7.74 C ATOM 441 C ALA A 28 -2.750 -2.121 -8.773 1.00 9.17 C ATOM 442 O ALA A 28 -3.631 -2.840 -9.181 1.00 11.45 O ATOM 443 CB ALA A 28 -2.237 0.241 -9.807 1.00 7.68 C ATOM 0 H ALA A 28 -1.793 0.523 -7.463 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.056 -0.462 -8.892 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.538 -0.100 -10.798 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.491 1.295 -9.693 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.161 0.112 -9.690 1.00 7.68 H new ATOM 449 N LYS A 29 -1.549 -2.553 -8.292 1.00 8.96 N ATOM 450 CA LYS A 29 -1.295 -4.024 -8.169 1.00 7.90 C ATOM 451 C LYS A 29 -2.010 -4.790 -7.064 1.00 6.92 C ATOM 452 O LYS A 29 -2.306 -5.961 -7.177 1.00 6.87 O ATOM 453 CB LYS A 29 0.253 -4.073 -7.906 1.00 10.28 C ATOM 454 CG LYS A 29 1.095 -4.903 -8.866 1.00 14.94 C ATOM 455 CD LYS A 29 2.631 -4.790 -8.644 1.00 19.69 C ATOM 456 CE LYS A 29 3.478 -5.739 -9.543 1.00 22.63 C ATOM 457 NZ LYS A 29 4.905 -5.592 -9.154 1.00 24.98 N ATOM 0 H LYS A 29 -0.782 -1.948 -7.998 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.677 -4.518 -9.063 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.631 -3.051 -7.922 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.413 -4.456 -6.898 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.804 -5.949 -8.773 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.865 -4.598 -9.887 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.939 -3.761 -8.830 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.852 -5.005 -7.599 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.154 -6.772 -9.417 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.342 -5.488 -10.595 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.512 -5.932 -9.927 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 5.112 -4.590 -8.966 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 5.090 -6.151 -8.297 1.00 24.98 H new ATOM 471 N ILE A 30 -2.401 -4.153 -5.984 1.00 4.57 N ATOM 472 CA ILE A 30 -3.327 -4.712 -5.010 1.00 5.58 C ATOM 473 C ILE A 30 -4.724 -4.858 -5.593 1.00 7.26 C ATOM 474 O ILE A 30 -5.285 -5.934 -5.391 1.00 9.46 O ATOM 475 CB ILE A 30 -3.328 -3.877 -3.705 1.00 5.36 C ATOM 476 CG1 ILE A 30 -1.882 -3.771 -2.988 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.367 -4.435 -2.807 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.411 -4.987 -2.172 1.00 2.00 C ATOM 0 H ILE A 30 -2.082 -3.213 -5.748 1.00 4.57 H new ATOM 0 HA ILE A 30 -2.984 -5.715 -4.755 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.564 -2.843 -3.957 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.137 -3.572 -3.758 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.896 -2.905 -2.326 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.390 -3.865 -1.878 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.340 -4.374 -3.294 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.136 -5.477 -2.587 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.429 -4.782 -1.747 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.120 -5.183 -1.368 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -1.350 -5.860 -2.822 1.00 2.00 H new ATOM 490 N GLN A 31 -5.268 -3.859 -6.394 1.00 7.06 N ATOM 491 CA GLN A 31 -6.543 -3.897 -7.147 1.00 8.67 C ATOM 492 C GLN A 31 -6.595 -5.103 -8.050 1.00 10.90 C ATOM 493 O GLN A 31 -7.560 -5.806 -8.126 1.00 9.63 O ATOM 494 CB GLN A 31 -6.661 -2.579 -7.992 1.00 9.12 C ATOM 495 CG GLN A 31 -8.037 -2.353 -8.589 1.00 10.76 C ATOM 496 CD GLN A 31 -8.051 -1.041 -9.452 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.056 -0.376 -9.699 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.276 -0.605 -9.800 1.00 14.76 N ATOM 0 H GLN A 31 -4.784 -2.970 -6.522 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.377 -3.969 -6.449 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.406 -1.729 -7.359 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.927 -2.608 -8.797 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.316 -3.206 -9.208 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.778 -2.280 -7.793 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.098 -1.170 -9.588 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.382 0.291 -10.276 1.00 14.76 H new ATOM 507 N ASP A 32 -5.505 -5.373 -8.859 1.00 10.93 N ATOM 508 CA ASP A 32 -5.381 -6.574 -9.748 1.00 14.01 C ATOM 509 C ASP A 32 -5.335 -7.847 -8.947 1.00 14.04 C ATOM 510 O ASP A 32 -5.889 -8.857 -9.384 1.00 13.39 O ATOM 511 CB ASP A 32 -4.084 -6.336 -10.603 1.00 18.01 C ATOM 512 CG ASP A 32 -4.481 -5.723 -11.938 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.232 -6.378 -12.747 1.00 26.29 O ATOM 514 OD2 ASP A 32 -4.166 -4.537 -12.209 1.00 25.17 O ATOM 0 H ASP A 32 -4.693 -4.757 -8.906 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.247 -6.693 -10.399 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.399 -5.674 -10.073 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.559 -7.278 -10.762 1.00 18.01 H new ATOM 519 N LYS A 33 -4.606 -7.908 -7.784 1.00 14.22 N ATOM 520 CA LYS A 33 -4.542 -9.025 -6.914 1.00 14.00 C ATOM 521 C LYS A 33 -5.854 -9.381 -6.096 1.00 12.37 C ATOM 522 O LYS A 33 -6.267 -10.562 -6.058 1.00 12.17 O ATOM 523 CB LYS A 33 -3.262 -8.859 -5.974 1.00 18.62 C ATOM 524 CG LYS A 33 -3.027 -9.976 -5.030 1.00 24.00 C ATOM 525 CD LYS A 33 -1.666 -10.031 -4.407 1.00 27.61 C ATOM 526 CE LYS A 33 -0.497 -10.262 -5.410 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.600 -11.696 -5.880 1.00 30.06 N ATOM 0 H LYS A 33 -4.041 -7.124 -7.458 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.450 -9.900 -7.557 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.380 -8.745 -6.604 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.367 -7.937 -5.403 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.768 -9.914 -4.233 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.202 -10.914 -5.557 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.488 -9.098 -3.873 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.653 -10.830 -3.666 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.568 -9.573 -6.252 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.465 -10.081 -4.931 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.238 -11.937 -6.447 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.654 -12.328 -5.056 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.455 -11.810 -6.461 1.00 30.06 H new ATOM 541 N GLU A 34 -6.513 -8.431 -5.445 1.00 10.11 N ATOM 542 CA GLU A 34 -7.683 -8.677 -4.542 1.00 10.07 C ATOM 543 C GLU A 34 -8.980 -7.833 -4.878 1.00 9.32 C ATOM 544 O GLU A 34 -9.952 -8.058 -4.129 1.00 11.61 O ATOM 545 CB GLU A 34 -7.263 -8.343 -3.083 1.00 14.77 C ATOM 546 CG GLU A 34 -6.404 -9.457 -2.480 1.00 18.75 C ATOM 547 CD GLU A 34 -7.203 -10.728 -2.181 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.371 -10.670 -1.688 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.628 -11.853 -2.421 1.00 25.19 O ATOM 0 H GLU A 34 -6.263 -7.445 -5.516 1.00 10.11 H new ATOM 0 HA GLU A 34 -7.949 -9.724 -4.684 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.708 -7.405 -3.068 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.153 -8.196 -2.471 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.593 -9.697 -3.168 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -5.945 -9.097 -1.559 1.00 18.75 H new ATOM 556 N GLY A 35 -9.059 -6.976 -5.897 1.00 7.22 N ATOM 557 CA GLY A 35 -10.329 -6.286 -6.266 1.00 6.29 C ATOM 558 C GLY A 35 -10.665 -5.104 -5.433 1.00 6.93 C ATOM 559 O GLY A 35 -11.842 -4.861 -5.178 1.00 7.41 O ATOM 0 H GLY A 35 -8.266 -6.733 -6.491 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.265 -5.971 -7.308 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.147 -7.003 -6.200 1.00 6.29 H new ATOM 563 N ILE A 36 -9.633 -4.324 -4.965 1.00 5.86 N ATOM 564 CA ILE A 36 -9.859 -3.267 -4.038 1.00 6.07 C ATOM 565 C ILE A 36 -9.552 -2.053 -4.906 1.00 6.36 C ATOM 566 O ILE A 36 -8.368 -1.844 -5.152 1.00 6.18 O ATOM 567 CB ILE A 36 -8.945 -3.293 -2.815 1.00 7.47 C ATOM 568 CG1 ILE A 36 -8.944 -4.626 -2.124 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.279 -2.169 -1.798 1.00 7.36 C ATOM 570 CD1 ILE A 36 -7.896 -4.695 -0.962 1.00 9.49 C ATOM 0 H ILE A 36 -8.658 -4.443 -5.240 1.00 5.86 H new ATOM 0 HA ILE A 36 -10.857 -3.306 -3.601 1.00 6.07 H new ATOM 0 HB ILE A 36 -7.942 -3.112 -3.203 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -9.938 -4.826 -1.725 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -8.729 -5.409 -2.851 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -8.600 -2.234 -0.948 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.167 -1.198 -2.279 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.306 -2.285 -1.451 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -7.935 -5.679 -0.495 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -6.897 -4.523 -1.362 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.126 -3.931 -0.219 1.00 9.49 H new ATOM 582 N PRO A 37 -10.444 -1.241 -5.463 1.00 8.65 N ATOM 583 CA PRO A 37 -10.145 0.057 -6.083 1.00 9.18 C ATOM 584 C PRO A 37 -9.006 0.904 -5.369 1.00 9.85 C ATOM 585 O PRO A 37 -8.861 0.802 -4.114 1.00 8.51 O ATOM 586 CB PRO A 37 -11.508 0.735 -6.258 1.00 11.42 C ATOM 587 CG PRO A 37 -12.526 -0.402 -6.442 1.00 9.27 C ATOM 588 CD PRO A 37 -11.831 -1.595 -5.691 1.00 8.33 C ATOM 0 HA PRO A 37 -9.663 -0.061 -7.053 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.756 1.344 -5.388 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.505 1.400 -7.122 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.494 -0.156 -6.007 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.698 -0.628 -7.494 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.333 -1.792 -4.744 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -11.898 -2.508 -6.283 1.00 8.33 H new ATOM 596 N PRO A 38 -8.194 1.754 -5.976 1.00 8.71 N ATOM 597 CA PRO A 38 -7.208 2.590 -5.268 1.00 9.08 C ATOM 598 C PRO A 38 -7.899 3.589 -4.399 1.00 9.28 C ATOM 599 O PRO A 38 -7.277 4.110 -3.507 1.00 6.50 O ATOM 600 CB PRO A 38 -6.438 3.234 -6.452 1.00 10.31 C ATOM 601 CG PRO A 38 -7.516 3.389 -7.538 1.00 10.81 C ATOM 602 CD PRO A 38 -8.356 2.113 -7.382 1.00 12.00 C ATOM 0 HA PRO A 38 -6.550 2.055 -4.583 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.006 4.196 -6.175 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.617 2.601 -6.789 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -8.115 4.287 -7.386 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -7.078 3.463 -8.533 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -9.402 2.291 -7.631 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.002 1.319 -8.040 1.00 12.00 H new ATOM 610 N ASP A 39 -9.191 3.914 -4.651 1.00 11.20 N ATOM 611 CA ASP A 39 -9.960 4.864 -3.885 1.00 14.96 C ATOM 612 C ASP A 39 -10.357 4.346 -2.503 1.00 13.99 C ATOM 613 O ASP A 39 -10.480 5.102 -1.538 1.00 13.75 O ATOM 614 CB ASP A 39 -11.228 5.126 -4.708 1.00 24.16 C ATOM 615 CG ASP A 39 -10.872 5.395 -6.099 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.407 6.524 -6.481 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.028 4.500 -6.997 1.00 35.55 O ATOM 0 H ASP A 39 -9.720 3.499 -5.418 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.362 5.758 -3.708 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.892 4.263 -4.654 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.773 5.974 -4.293 1.00 24.16 H new ATOM 622 N GLN A 40 -10.478 3.009 -2.324 1.00 11.60 N ATOM 623 CA GLN A 40 -10.752 2.399 -1.018 1.00 10.76 C ATOM 624 C GLN A 40 -9.500 2.203 -0.238 1.00 8.01 C ATOM 625 O GLN A 40 -9.610 1.880 0.939 1.00 8.96 O ATOM 626 CB GLN A 40 -11.411 1.039 -1.318 1.00 11.14 C ATOM 627 CG GLN A 40 -12.863 1.134 -1.790 1.00 14.85 C ATOM 628 CD GLN A 40 -13.279 -0.319 -2.152 1.00 16.11 C ATOM 629 OE1 GLN A 40 -12.911 -1.257 -1.477 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.137 -0.442 -3.167 1.00 18.16 N ATOM 0 H GLN A 40 -10.387 2.333 -3.082 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.396 3.041 -0.417 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.826 0.525 -2.081 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.373 0.424 -0.419 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.504 1.542 -1.008 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.953 1.794 -2.653 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.414 0.380 -3.703 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.516 -1.358 -3.406 1.00 18.16 H new ATOM 639 N GLN A 41 -8.322 2.429 -0.777 1.00 6.52 N ATOM 640 CA GLN A 41 -7.038 2.065 -0.180 1.00 3.87 C ATOM 641 C GLN A 41 -6.286 3.171 0.484 1.00 4.79 C ATOM 642 O GLN A 41 -5.667 3.955 -0.231 1.00 6.34 O ATOM 643 CB GLN A 41 -6.110 1.489 -1.237 1.00 4.20 C ATOM 644 CG GLN A 41 -6.631 0.133 -1.882 1.00 3.20 C ATOM 645 CD GLN A 41 -5.570 -0.610 -2.751 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.387 -0.749 -2.432 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.969 -1.094 -3.946 1.00 7.13 N ATOM 0 H GLN A 41 -8.219 2.890 -1.681 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.315 1.348 0.593 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.973 2.227 -2.028 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.131 1.315 -0.791 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.961 -0.532 -1.084 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.503 0.349 -2.499 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.941 -0.994 -4.238 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.298 -1.560 -4.557 1.00 7.13 H new ATOM 656 N ARG A 42 -6.235 3.222 1.870 1.00 5.73 N ATOM 657 CA ARG A 42 -5.405 4.231 2.496 1.00 6.97 C ATOM 658 C ARG A 42 -4.254 3.502 3.118 1.00 7.15 C ATOM 659 O ARG A 42 -4.474 2.575 3.914 1.00 7.33 O ATOM 660 CB ARG A 42 -6.203 4.980 3.570 1.00 13.23 C ATOM 661 CG ARG A 42 -7.252 5.987 2.960 1.00 21.27 C ATOM 662 CD ARG A 42 -8.102 6.791 3.995 1.00 26.14 C ATOM 663 NE ARG A 42 -8.918 7.799 3.195 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.989 8.475 3.603 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.596 8.278 4.731 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.499 9.364 2.756 1.00 36.39 N ATOM 0 H ARG A 42 -6.738 2.602 2.505 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.060 4.968 1.771 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.723 4.258 4.200 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.514 5.526 4.214 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.721 6.696 2.325 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.931 5.429 2.315 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.754 6.126 4.561 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.459 7.297 4.715 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.608 7.975 2.239 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -10.256 7.563 5.375 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -11.413 8.837 4.975 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -10.069 9.502 1.841 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -11.320 9.908 3.021 1.00 36.39 H new ATOM 680 N LEU A 43 -3.033 3.827 2.738 1.00 4.65 N ATOM 681 CA LEU A 43 -1.903 2.954 3.132 1.00 3.51 C ATOM 682 C LEU A 43 -1.067 3.583 4.222 1.00 5.56 C ATOM 683 O LEU A 43 -0.436 4.588 3.921 1.00 4.19 O ATOM 684 CB LEU A 43 -1.147 2.692 1.850 1.00 3.74 C ATOM 685 CG LEU A 43 0.037 1.681 2.032 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.488 0.252 2.161 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.894 1.824 0.829 1.00 6.41 C ATOM 0 H LEU A 43 -2.786 4.646 2.183 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.231 2.014 3.576 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.837 2.304 1.101 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.757 3.634 1.466 1.00 3.74 H new ATOM 0 HG LEU A 43 0.600 1.890 2.942 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.350 -0.434 2.286 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.146 0.183 3.027 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -1.043 -0.014 1.261 1.00 9.55 H new ATOM 0 HD21 LEU A 43 1.740 1.140 0.901 1.00 6.41 H new ATOM 0 HD22 LEU A 43 0.312 1.589 -0.062 1.00 6.41 H new ATOM 0 HD23 LEU A 43 1.261 2.848 0.763 1.00 6.41 H new ATOM 699 N ILE A 44 -0.958 2.881 5.399 1.00 4.58 N ATOM 700 CA ILE A 44 -0.427 3.419 6.662 1.00 5.55 C ATOM 701 C ILE A 44 0.814 2.644 6.992 1.00 5.46 C ATOM 702 O ILE A 44 0.796 1.414 7.174 1.00 6.04 O ATOM 703 CB ILE A 44 -1.465 3.422 7.794 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.982 3.665 7.300 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.997 4.293 8.931 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.287 5.066 6.893 1.00 13.90 C ATOM 0 H ILE A 44 -1.248 1.906 5.478 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.176 4.473 6.543 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.530 2.411 8.196 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.186 3.004 6.458 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.662 3.378 8.102 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.743 4.285 9.726 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.052 3.911 9.317 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.858 5.313 8.574 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.328 5.135 6.576 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.120 5.735 7.737 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.637 5.355 6.067 1.00 13.90 H new ATOM 718 N PHE A 45 1.999 3.309 7.116 1.00 6.75 N ATOM 719 CA PHE A 45 3.245 2.682 7.642 1.00 4.70 C ATOM 720 C PHE A 45 4.010 3.810 8.278 1.00 6.34 C ATOM 721 O PHE A 45 4.029 4.951 7.795 1.00 5.45 O ATOM 722 CB PHE A 45 4.094 2.044 6.449 1.00 5.51 C ATOM 723 CG PHE A 45 5.323 1.329 6.991 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.171 0.041 7.578 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.592 1.851 6.838 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.272 -0.750 7.834 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.770 1.054 7.029 1.00 6.64 C ATOM 728 CZ PHE A 45 7.568 -0.256 7.505 1.00 6.84 C ATOM 0 H PHE A 45 2.115 4.288 6.856 1.00 6.75 H new ATOM 0 HA PHE A 45 3.032 1.879 8.347 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.475 1.342 5.889 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.398 2.826 5.753 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.184 -0.321 7.825 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.701 2.891 6.566 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.154 -1.728 8.277 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.757 1.438 6.819 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.422 -0.907 7.624 1.00 6.84 H new ATOM 738 N ALA A 46 4.669 3.569 9.424 1.00 6.53 N ATOM 739 CA ALA A 46 5.518 4.443 10.233 1.00 7.15 C ATOM 740 C ALA A 46 4.889 5.673 10.717 1.00 9.00 C ATOM 741 O ALA A 46 5.543 6.714 10.749 1.00 11.15 O ATOM 742 CB ALA A 46 6.738 4.850 9.367 1.00 8.99 C ATOM 0 H ALA A 46 4.608 2.645 9.851 1.00 6.53 H new ATOM 0 HA ALA A 46 5.772 3.867 11.123 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.392 5.504 9.944 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.288 3.957 9.071 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.393 5.376 8.477 1.00 8.99 H new ATOM 748 N GLY A 47 3.602 5.602 11.230 1.00 9.35 N ATOM 749 CA GLY A 47 2.880 6.732 11.770 1.00 11.68 C ATOM 750 C GLY A 47 2.394 7.723 10.701 1.00 11.14 C ATOM 751 O GLY A 47 1.912 8.825 10.985 1.00 13.93 O ATOM 0 H GLY A 47 3.069 4.733 11.261 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.020 6.367 12.332 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.522 7.259 12.476 1.00 11.68 H new ATOM 755 N LYS A 48 2.413 7.301 9.365 1.00 10.47 N ATOM 756 CA LYS A 48 2.222 8.151 8.269 1.00 8.82 C ATOM 757 C LYS A 48 1.309 7.452 7.256 1.00 7.68 C ATOM 758 O LYS A 48 1.414 6.259 6.966 1.00 6.47 O ATOM 759 CB LYS A 48 3.569 8.517 7.558 1.00 9.74 C ATOM 760 CG LYS A 48 4.456 9.469 8.395 1.00 14.14 C ATOM 761 CD LYS A 48 5.881 9.436 7.891 1.00 16.32 C ATOM 762 CE LYS A 48 6.791 10.370 8.715 1.00 20.04 C ATOM 763 NZ LYS A 48 8.112 10.314 8.116 1.00 23.92 N ATOM 0 H LYS A 48 2.570 6.329 9.097 1.00 10.47 H new ATOM 0 HA LYS A 48 1.776 9.074 8.639 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.124 7.602 7.350 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.351 8.983 6.597 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.066 10.485 8.337 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.427 9.176 9.444 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.263 8.416 7.941 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.905 9.734 6.843 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.406 11.390 8.705 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.827 10.053 9.757 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.759 10.933 8.644 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.466 9.336 8.146 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.059 10.632 7.127 1.00 23.92 H new ATOM 777 N GLN A 49 0.401 8.221 6.616 1.00 8.89 N ATOM 778 CA GLN A 49 -0.300 7.789 5.420 1.00 7.18 C ATOM 779 C GLN A 49 0.521 7.960 4.143 1.00 8.23 C ATOM 780 O GLN A 49 0.948 9.111 3.852 1.00 9.70 O ATOM 781 CB GLN A 49 -1.629 8.577 5.222 1.00 11.67 C ATOM 782 CG GLN A 49 -2.541 8.111 4.013 1.00 15.82 C ATOM 783 CD GLN A 49 -3.930 8.744 3.998 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.807 8.566 4.822 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.224 9.494 2.915 1.00 20.67 N ATOM 0 H GLN A 49 0.144 9.158 6.927 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.493 6.729 5.581 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.212 8.503 6.140 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.386 9.630 5.083 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.035 8.350 3.078 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.648 7.027 4.050 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.513 9.664 2.204 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.157 9.891 2.808 1.00 20.67 H new ATOM 794 N LEU A 50 0.805 6.843 3.385 1.00 6.51 N ATOM 795 CA LEU A 50 1.767 6.886 2.326 1.00 7.41 C ATOM 796 C LEU A 50 1.177 7.669 1.089 1.00 8.27 C ATOM 797 O LEU A 50 0.035 7.434 0.654 1.00 8.34 O ATOM 798 CB LEU A 50 2.453 5.530 1.986 1.00 7.13 C ATOM 799 CG LEU A 50 2.978 4.680 3.147 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.867 3.461 2.697 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.771 5.443 4.188 1.00 9.11 C ATOM 0 H LEU A 50 0.364 5.933 3.520 1.00 6.51 H new ATOM 0 HA LEU A 50 2.620 7.456 2.695 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.740 4.926 1.426 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.289 5.737 1.318 1.00 7.13 H new ATOM 0 HG LEU A 50 2.048 4.325 3.592 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.200 2.909 3.576 1.00 8.14 H new ATOM 0 HD12 LEU A 50 3.283 2.802 2.055 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.735 3.827 2.148 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.100 4.758 4.969 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.641 5.902 3.718 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.144 6.219 4.627 1.00 9.11 H new ATOM 813 N GLU A 51 2.020 8.627 0.583 1.00 9.43 N ATOM 814 CA GLU A 51 1.733 9.474 -0.550 1.00 11.90 C ATOM 815 C GLU A 51 1.899 8.671 -1.825 1.00 11.49 C ATOM 816 O GLU A 51 2.905 7.993 -2.025 1.00 9.88 O ATOM 817 CB GLU A 51 2.752 10.718 -0.493 1.00 16.56 C ATOM 818 CG GLU A 51 2.369 11.797 0.555 1.00 26.06 C ATOM 819 CD GLU A 51 2.920 13.172 0.336 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.693 13.374 -0.584 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.590 14.083 1.181 1.00 33.44 O ATOM 0 H GLU A 51 2.938 8.810 0.989 1.00 9.43 H new ATOM 0 HA GLU A 51 0.709 9.847 -0.527 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.752 10.346 -0.268 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.798 11.182 -1.478 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.282 11.867 0.589 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.697 11.451 1.535 1.00 26.06 H new ATOM 828 N ASP A 52 0.839 8.668 -2.645 1.00 12.71 N ATOM 829 CA ASP A 52 0.702 8.051 -3.914 1.00 16.56 C ATOM 830 C ASP A 52 1.774 8.465 -4.873 1.00 15.83 C ATOM 831 O ASP A 52 2.332 7.559 -5.485 1.00 17.21 O ATOM 832 CB ASP A 52 -0.694 8.427 -4.476 1.00 21.05 C ATOM 833 CG ASP A 52 -1.820 8.191 -3.452 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.253 9.100 -2.695 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.429 7.099 -3.508 1.00 25.82 O ATOM 0 H ASP A 52 -0.017 9.156 -2.381 1.00 12.71 H new ATOM 0 HA ASP A 52 0.800 6.972 -3.792 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.692 9.475 -4.775 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.892 7.840 -5.373 1.00 21.05 H new ATOM 840 N GLY A 53 2.214 9.746 -4.920 1.00 15.00 N ATOM 841 CA GLY A 53 3.274 10.205 -5.797 1.00 11.77 C ATOM 842 C GLY A 53 4.695 9.879 -5.291 1.00 11.10 C ATOM 843 O GLY A 53 5.654 10.268 -5.933 1.00 11.25 O ATOM 0 H GLY A 53 1.825 10.485 -4.335 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.138 9.755 -6.780 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.184 11.284 -5.925 1.00 11.77 H new ATOM 847 N ARG A 54 4.864 9.163 -4.114 1.00 8.53 N ATOM 848 CA ARG A 54 6.155 8.774 -3.632 1.00 9.05 C ATOM 849 C ARG A 54 6.227 7.278 -3.716 1.00 8.96 C ATOM 850 O ARG A 54 5.327 6.571 -4.184 1.00 11.60 O ATOM 851 CB ARG A 54 6.463 9.224 -2.151 1.00 7.97 C ATOM 852 CG ARG A 54 6.137 10.694 -1.968 1.00 9.62 C ATOM 853 CD ARG A 54 6.704 11.217 -0.695 1.00 12.20 C ATOM 854 NE ARG A 54 6.289 12.620 -0.451 1.00 18.23 N ATOM 855 CZ ARG A 54 6.932 13.655 -0.965 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.232 13.566 -1.376 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.190 14.748 -1.202 1.00 23.38 N ATOM 0 H ARG A 54 4.091 8.868 -3.518 1.00 8.53 H new ATOM 0 HA ARG A 54 6.901 9.273 -4.250 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.878 8.625 -1.453 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.513 9.046 -1.921 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.534 11.264 -2.808 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.056 10.833 -1.972 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.377 10.590 0.135 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.792 11.159 -0.729 1.00 12.20 H new ATOM 0 HE ARG A 54 5.474 12.794 0.137 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.735 12.683 -1.290 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.700 14.383 -1.768 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.193 14.744 -0.986 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.623 15.582 -1.598 1.00 23.38 H new ATOM 871 N THR A 55 7.467 6.827 -3.428 1.00 9.05 N ATOM 872 CA THR A 55 7.897 5.462 -3.674 1.00 9.03 C ATOM 873 C THR A 55 8.193 4.737 -2.383 1.00 8.15 C ATOM 874 O THR A 55 8.216 5.272 -1.358 1.00 5.91 O ATOM 875 CB THR A 55 9.075 5.370 -4.643 1.00 11.15 C ATOM 876 OG1 THR A 55 10.298 5.834 -4.040 1.00 11.95 O ATOM 877 CG2 THR A 55 8.839 6.186 -5.957 1.00 11.71 C ATOM 0 H THR A 55 8.191 7.415 -3.016 1.00 9.05 H new ATOM 0 HA THR A 55 7.059 4.963 -4.161 1.00 9.03 H new ATOM 0 HB THR A 55 9.160 4.312 -4.892 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.110 6.614 -3.477 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.707 6.085 -6.609 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.955 5.805 -6.468 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.690 7.237 -5.711 1.00 11.71 H new ATOM 885 N LEU A 56 8.357 3.374 -2.497 1.00 6.91 N ATOM 886 CA LEU A 56 8.681 2.504 -1.399 1.00 8.29 C ATOM 887 C LEU A 56 10.057 2.779 -0.813 1.00 8.05 C ATOM 888 O LEU A 56 10.259 2.538 0.397 1.00 10.17 O ATOM 889 CB LEU A 56 8.597 1.043 -1.783 1.00 6.60 C ATOM 890 CG LEU A 56 7.137 0.565 -2.016 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.194 -0.721 -2.777 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.455 0.372 -0.704 1.00 8.64 C ATOM 0 H LEU A 56 8.258 2.881 -3.384 1.00 6.91 H new ATOM 0 HA LEU A 56 7.930 2.720 -0.639 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.178 0.876 -2.690 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.051 0.439 -0.998 1.00 6.60 H new ATOM 0 HG LEU A 56 6.572 1.306 -2.582 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.182 -1.083 -2.956 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.695 -0.557 -3.731 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.747 -1.462 -2.199 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.431 0.037 -0.872 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.991 -0.377 -0.122 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.443 1.315 -0.158 1.00 8.64 H new ATOM 904 N SER A 57 10.958 3.347 -1.631 1.00 8.92 N ATOM 905 CA SER A 57 12.301 3.826 -1.294 1.00 9.00 C ATOM 906 C SER A 57 12.365 5.037 -0.362 1.00 9.44 C ATOM 907 O SER A 57 13.221 5.112 0.503 1.00 10.91 O ATOM 908 CB SER A 57 12.934 4.191 -2.601 1.00 10.32 C ATOM 909 OG SER A 57 14.350 4.273 -2.518 1.00 13.59 O ATOM 0 H SER A 57 10.747 3.492 -2.618 1.00 8.92 H new ATOM 0 HA SER A 57 12.807 3.034 -0.742 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.660 3.451 -3.353 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.537 5.149 -2.938 1.00 10.32 H new ATOM 0 HG SER A 57 14.716 4.512 -3.395 1.00 13.59 H new ATOM 915 N ASP A 58 11.412 5.976 -0.533 1.00 9.11 N ATOM 916 CA ASP A 58 11.249 7.233 0.249 1.00 7.91 C ATOM 917 C ASP A 58 10.981 6.971 1.652 1.00 9.12 C ATOM 918 O ASP A 58 11.393 7.722 2.542 1.00 8.61 O ATOM 919 CB ASP A 58 10.068 8.105 -0.348 1.00 8.41 C ATOM 920 CG ASP A 58 10.415 8.640 -1.653 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.215 9.600 -1.655 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.989 8.066 -2.701 1.00 11.70 O ATOM 0 H ASP A 58 10.697 5.880 -1.254 1.00 9.11 H new ATOM 0 HA ASP A 58 12.191 7.777 0.175 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.168 7.495 -0.430 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.837 8.924 0.333 1.00 8.41 H new ATOM 927 N TYR A 59 10.337 5.850 1.938 1.00 7.97 N ATOM 928 CA TYR A 59 9.892 5.569 3.344 1.00 8.45 C ATOM 929 C TYR A 59 10.890 4.530 3.896 1.00 10.98 C ATOM 930 O TYR A 59 10.770 4.100 5.062 1.00 12.95 O ATOM 931 CB TYR A 59 8.485 5.036 3.358 1.00 7.94 C ATOM 932 CG TYR A 59 7.486 6.030 2.905 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.395 7.248 3.584 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.854 5.938 1.654 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.500 8.249 3.140 1.00 5.39 C ATOM 936 CE2 TYR A 59 6.006 6.968 1.190 1.00 6.52 C ATOM 937 CZ TYR A 59 5.757 8.078 1.977 1.00 6.76 C ATOM 938 OH TYR A 59 4.740 8.994 1.623 1.00 7.63 O ATOM 0 H TYR A 59 10.104 5.126 1.259 1.00 7.97 H new ATOM 0 HA TYR A 59 9.883 6.471 3.955 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.429 4.155 2.718 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.235 4.712 4.368 1.00 7.94 H new ATOM 0 HD1 TYR A 59 8.012 7.426 4.453 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.019 5.067 1.038 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.392 9.159 3.712 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.549 6.888 0.215 1.00 6.52 H new ATOM 0 HH TYR A 59 4.966 9.883 1.968 1.00 7.63 H new ATOM 948 N ASN A 60 11.816 4.145 3.003 1.00 12.38 N ATOM 949 CA ASN A 60 12.809 3.075 3.172 1.00 13.94 C ATOM 950 C ASN A 60 12.225 1.700 3.617 1.00 14.16 C ATOM 951 O ASN A 60 12.691 1.068 4.599 1.00 14.26 O ATOM 952 CB ASN A 60 13.980 3.483 4.137 1.00 19.23 C ATOM 953 CG ASN A 60 14.696 4.673 3.513 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.315 5.805 3.864 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.811 4.414 2.769 1.00 24.09 N ATOM 0 H ASN A 60 11.895 4.599 2.093 1.00 12.38 H new ATOM 0 HA ASN A 60 13.201 2.939 2.164 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.592 3.743 5.122 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.670 2.651 4.276 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.405 5.182 2.456 1.00 24.09 H new ATOM 0 HD22 ASN A 60 16.050 3.453 2.526 1.00 24.09 H new ATOM 962 N ILE A 61 11.266 1.177 2.879 1.00 11.08 N ATOM 963 CA ILE A 61 10.523 -0.076 3.098 1.00 11.78 C ATOM 964 C ILE A 61 11.352 -1.282 2.680 1.00 13.74 C ATOM 965 O ILE A 61 11.837 -1.379 1.536 1.00 14.60 O ATOM 966 CB ILE A 61 9.087 0.020 2.542 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.315 1.067 3.361 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.408 -1.330 2.466 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.192 1.767 2.551 1.00 11.42 C ATOM 0 H ILE A 61 10.949 1.650 2.033 1.00 11.08 H new ATOM 0 HA ILE A 61 10.362 -0.240 4.164 1.00 11.78 H new ATOM 0 HB ILE A 61 9.112 0.356 1.505 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.878 0.585 4.235 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.013 1.819 3.728 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.400 -1.209 2.069 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.979 -1.988 1.811 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.355 -1.767 3.463 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.685 2.494 3.185 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.627 2.276 1.691 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.474 1.023 2.207 1.00 11.42 H new ATOM 981 N GLN A 62 11.483 -2.287 3.609 1.00 13.97 N ATOM 982 CA GLN A 62 12.353 -3.435 3.405 1.00 15.52 C ATOM 983 C GLN A 62 11.503 -4.708 3.201 1.00 13.94 C ATOM 984 O GLN A 62 10.276 -4.828 3.456 1.00 12.15 O ATOM 985 CB GLN A 62 13.333 -3.625 4.599 1.00 19.53 C ATOM 986 CG GLN A 62 14.401 -2.502 4.758 1.00 26.38 C ATOM 987 CD GLN A 62 15.487 -2.961 5.743 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.631 -3.039 5.416 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.205 -3.189 7.011 1.00 32.71 N ATOM 0 H GLN A 62 10.984 -2.299 4.499 1.00 13.97 H new ATOM 0 HA GLN A 62 12.951 -3.254 2.512 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.753 -3.687 5.520 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.846 -4.579 4.481 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.847 -2.271 3.791 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.931 -1.587 5.119 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.240 -3.134 7.337 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.952 -3.421 7.666 1.00 32.71 H new ATOM 998 N LYS A 63 12.232 -5.754 2.666 1.00 11.73 N ATOM 999 CA LYS A 63 11.769 -7.121 2.306 1.00 11.97 C ATOM 1000 C LYS A 63 11.138 -7.805 3.519 1.00 10.41 C ATOM 1001 O LYS A 63 11.664 -7.771 4.638 1.00 9.59 O ATOM 1002 CB LYS A 63 12.938 -7.960 1.690 1.00 13.73 C ATOM 1003 CG LYS A 63 12.687 -9.454 1.418 1.00 16.98 C ATOM 1004 CD LYS A 63 13.981 -10.164 0.924 1.00 20.19 C ATOM 1005 CE LYS A 63 13.852 -11.675 0.867 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.095 -12.343 0.496 1.00 25.97 N ATOM 0 H LYS A 63 13.226 -5.640 2.467 1.00 11.73 H new ATOM 0 HA LYS A 63 10.998 -7.044 1.539 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.225 -7.492 0.748 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.795 -7.881 2.359 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.330 -9.936 2.328 1.00 16.98 H new ATOM 0 HG3 LYS A 63 11.902 -9.563 0.670 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.236 -9.790 -0.068 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.806 -9.901 1.586 1.00 20.19 H new ATOM 0 HE2 LYS A 63 13.526 -12.043 1.840 1.00 23.42 H new ATOM 0 HE3 LYS A 63 13.076 -11.940 0.149 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 14.943 -13.372 0.474 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.397 -12.018 -0.445 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.832 -12.117 1.194 1.00 25.97 H new ATOM 1020 N GLU A 64 10.028 -8.555 3.344 1.00 10.04 N ATOM 1021 CA GLU A 64 9.265 -9.292 4.368 1.00 10.94 C ATOM 1022 C GLU A 64 8.514 -8.378 5.379 1.00 9.74 C ATOM 1023 O GLU A 64 7.848 -8.822 6.379 1.00 9.42 O ATOM 1024 CB GLU A 64 10.001 -10.456 5.055 1.00 18.31 C ATOM 1025 CG GLU A 64 10.546 -11.654 4.165 1.00 24.16 C ATOM 1026 CD GLU A 64 11.012 -12.866 4.996 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.031 -12.727 5.657 1.00 32.61 O ATOM 1028 OE2 GLU A 64 10.233 -13.842 5.094 1.00 31.72 O ATOM 0 H GLU A 64 9.615 -8.667 2.418 1.00 10.04 H new ATOM 0 HA GLU A 64 8.500 -9.786 3.769 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.849 -10.036 5.596 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.326 -10.879 5.799 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.762 -11.973 3.478 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.378 -11.297 3.557 1.00 24.16 H new ATOM 1035 N SER A 65 8.694 -7.030 5.312 1.00 6.85 N ATOM 1036 CA SER A 65 8.071 -6.055 6.139 1.00 6.90 C ATOM 1037 C SER A 65 6.643 -5.945 5.759 1.00 4.72 C ATOM 1038 O SER A 65 6.239 -6.282 4.627 1.00 3.91 O ATOM 1039 CB SER A 65 8.779 -4.713 5.975 1.00 7.28 C ATOM 1040 OG SER A 65 8.489 -3.856 7.110 1.00 10.56 O ATOM 0 H SER A 65 9.322 -6.609 4.627 1.00 6.85 H new ATOM 0 HA SER A 65 8.139 -6.352 7.186 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.855 -4.868 5.891 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.454 -4.231 5.053 1.00 7.28 H new ATOM 0 HG SER A 65 8.948 -2.998 6.998 1.00 10.56 H new ATOM 1046 N THR A 66 5.775 -5.517 6.699 1.00 4.48 N ATOM 1047 CA THR A 66 4.350 -5.429 6.570 1.00 3.80 C ATOM 1048 C THR A 66 3.892 -3.997 6.551 1.00 4.60 C ATOM 1049 O THR A 66 4.164 -3.162 7.414 1.00 5.33 O ATOM 1050 CB THR A 66 3.629 -6.141 7.738 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.080 -7.484 7.754 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.107 -6.130 7.670 1.00 3.40 C ATOM 0 H THR A 66 6.096 -5.210 7.617 1.00 4.48 H new ATOM 0 HA THR A 66 4.098 -5.916 5.628 1.00 3.80 H new ATOM 0 HB THR A 66 3.875 -5.589 8.645 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.643 -7.967 8.486 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.700 -6.655 8.535 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.750 -5.100 7.670 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.780 -6.628 6.757 1.00 3.40 H new ATOM 1060 N LEU A 67 3.011 -3.673 5.511 1.00 4.17 N ATOM 1061 CA LEU A 67 2.432 -2.385 5.352 1.00 3.85 C ATOM 1062 C LEU A 67 0.955 -2.502 5.869 1.00 3.80 C ATOM 1063 O LEU A 67 0.227 -3.472 5.627 1.00 5.54 O ATOM 1064 CB LEU A 67 2.527 -1.830 3.883 1.00 7.18 C ATOM 1065 CG LEU A 67 3.909 -1.739 3.309 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.904 -0.861 2.030 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.954 -1.225 4.259 1.00 11.66 C ATOM 0 H LEU A 67 2.724 -4.341 4.795 1.00 4.17 H new ATOM 0 HA LEU A 67 2.988 -1.647 5.930 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.926 -2.467 3.234 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.078 -0.837 3.860 1.00 7.18 H new ATOM 0 HG LEU A 67 4.188 -2.767 3.078 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.914 -0.804 1.624 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.239 -1.303 1.288 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.555 0.141 2.278 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.920 -1.194 3.755 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.684 -0.221 4.588 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.016 -1.886 5.124 1.00 11.66 H new ATOM 1079 N HIS A 68 0.519 -1.557 6.704 1.00 2.94 N ATOM 1080 CA HIS A 68 -0.849 -1.592 7.234 1.00 4.17 C ATOM 1081 C HIS A 68 -1.766 -0.984 6.274 1.00 5.32 C ATOM 1082 O HIS A 68 -1.410 -0.025 5.665 1.00 7.70 O ATOM 1083 CB HIS A 68 -0.826 -0.857 8.619 1.00 5.57 C ATOM 1084 CG HIS A 68 0.407 -1.217 9.396 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.495 -0.396 9.400 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.714 -2.181 10.238 1.00 12.79 C ATOM 1087 CE1 HIS A 68 2.384 -0.853 10.297 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.936 -1.984 10.819 1.00 16.30 N ATOM 0 H HIS A 68 1.081 -0.769 7.025 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.206 -2.611 7.386 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.861 0.221 8.464 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -1.713 -1.125 9.192 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.615 0.432 8.816 1.00 13.74 H new ATOM 0 HD2 HIS A 68 0.076 -3.027 10.445 1.00 12.79 H new ATOM 0 HE1 HIS A 68 3.317 -0.373 10.552 1.00 14.75 H new ATOM 1096 N LEU A 69 -2.971 -1.485 6.027 1.00 5.29 N ATOM 1097 CA LEU A 69 -3.812 -0.948 4.964 1.00 3.97 C ATOM 1098 C LEU A 69 -5.178 -0.744 5.540 1.00 5.07 C ATOM 1099 O LEU A 69 -5.831 -1.553 6.223 1.00 4.34 O ATOM 1100 CB LEU A 69 -3.924 -2.043 3.921 1.00 6.08 C ATOM 1101 CG LEU A 69 -4.720 -1.745 2.662 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.372 -0.448 1.910 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -4.841 -2.877 1.650 1.00 9.96 C ATOM 0 H LEU A 69 -3.386 -2.259 6.546 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.414 -0.021 4.550 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -2.914 -2.323 3.620 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.368 -2.916 4.399 1.00 6.08 H new ATOM 0 HG LEU A 69 -5.693 -1.605 3.132 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.011 -0.354 1.032 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.530 0.407 2.567 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -3.328 -0.477 1.598 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -5.431 -2.541 0.797 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -3.847 -3.170 1.311 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.332 -3.731 2.117 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.723 0.494 5.183 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.932 1.021 5.780 1.00 6.26 C ATOM 1117 C VAL A 70 -7.906 1.033 4.600 1.00 9.22 C ATOM 1118 O VAL A 70 -7.731 1.710 3.600 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.853 2.340 6.616 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.291 2.681 7.060 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.945 2.059 7.851 1.00 8.54 C ATOM 0 H VAL A 70 -5.308 1.107 4.481 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.252 0.395 6.613 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.438 3.174 6.050 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.282 3.598 7.649 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.920 2.820 6.181 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.688 1.866 7.665 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.868 2.961 8.458 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.379 1.256 8.447 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.952 1.763 7.513 1.00 8.54 H new ATOM 1131 N LEU A 71 -8.986 0.233 4.770 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.877 0.158 3.678 1.00 16.06 C ATOM 1133 C LEU A 71 -11.045 1.102 4.003 1.00 18.09 C ATOM 1134 O LEU A 71 -11.654 1.007 5.049 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.305 -1.268 3.395 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.172 -2.191 3.164 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -9.628 -3.616 3.138 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.393 -1.890 1.893 1.00 19.57 C ATOM 0 H LEU A 71 -9.218 -0.315 5.598 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.400 0.475 2.751 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -10.896 -1.635 4.234 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -10.954 -1.277 2.520 1.00 17.10 H new ATOM 0 HG LEU A 71 -8.498 -2.033 4.006 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -8.772 -4.269 2.966 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.091 -3.867 4.092 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -10.354 -3.751 2.336 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -7.578 -2.606 1.788 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.057 -1.968 1.032 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -7.985 -0.881 1.947 1.00 19.57 H new