USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1145 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 75 MET CE :methyl -120:sc= -0.265 (180deg=-2.4) USER MOD Set 1.2: A 78 SER OG : rot 60:sc= 1.1 USER MOD Set 2.1: A 27 GLN : amide:sc= 0.385 K(o=0.5,f=-2.7!) USER MOD Set 2.2: A 34 CYS SG : rot 149:sc= 0.111 USER MOD Single : A 4 SER OG : rot 180:sc= -0.101 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0597 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.226 K(o=-0.23,f=-3!) USER MOD Single : A 22 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0085) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -35:sc= 0.0753 USER MOD Single : A 37 GLN : amide:sc= -0.772 K(o=-0.77,f=-4.5!) USER MOD Single : A 42 GLN : amide:sc= -0.714 K(o=-0.71,f=-6.9!) USER MOD Single : A 56 ASN : amide:sc= -0.0118 K(o=-0.012,f=-0.73) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -53:sc= 1.19 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 36:sc= 0.722 USER MOD Single : A 80 GLN : amide:sc= -0.0909 X(o=-0.091,f=-0.59) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl -150:sc= -2 (180deg=-3.04) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HE2:sc= -0.691 K(o=-0.69,f=-1.2) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -0.439 X(o=-0.44,f=-0.37) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -153:sc= -0.108 (180deg=-0.881) USER MOD Single : A 126 THR OG1 : rot 180:sc= -0.0695 USER MOD Single : A 131 HIS : no HD1:sc= -0.282 X(o=-0.28,f=-0.21) USER MOD Single : A 132 HIS : no HE2:sc= -0.547 K(o=-0.55,f=-2!) USER MOD Single : A 134 HIS : no HE2:sc= 0.0645 K(o=0.064,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -18.625 58.377 -21.663 1.00 0.00 N ATOM 2 CA PRO A 1 -17.964 57.484 -22.629 1.00 0.00 C ATOM 3 C PRO A 1 -18.145 56.020 -22.217 1.00 0.00 C ATOM 4 O PRO A 1 -17.696 55.639 -21.138 1.00 0.00 O ATOM 5 CB PRO A 1 -16.482 57.894 -22.639 1.00 0.00 C ATOM 6 CG PRO A 1 -16.257 58.518 -21.254 1.00 0.00 C ATOM 7 CD PRO A 1 -17.610 59.159 -20.940 1.00 0.00 C ATOM 0 H2 PRO A 1 -19.180 57.830 -21.004 1.00 0.00 H new ATOM 0 H3 PRO A 1 -19.268 59.002 -22.148 1.00 0.00 H new ATOM 0 HA PRO A 1 -18.395 57.574 -23.626 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -15.832 57.034 -22.799 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -16.271 58.607 -23.436 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -15.985 57.767 -20.513 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -15.455 59.256 -21.270 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -17.804 59.148 -19.867 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -17.627 60.202 -21.256 1.00 0.00 H new ATOM 15 N ALA A 2 -18.863 55.229 -23.021 1.00 0.00 N ATOM 16 CA ALA A 2 -19.079 53.814 -22.740 1.00 0.00 C ATOM 17 C ALA A 2 -17.832 53.022 -23.163 1.00 0.00 C ATOM 18 O ALA A 2 -16.943 53.562 -23.823 1.00 0.00 O ATOM 19 CB ALA A 2 -20.316 53.331 -23.509 1.00 0.00 C ATOM 0 H ALA A 2 -19.307 55.554 -23.880 1.00 0.00 H new ATOM 0 HA ALA A 2 -19.248 53.660 -21.674 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -20.483 52.274 -23.303 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -21.188 53.904 -23.193 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -20.158 53.472 -24.578 1.00 0.00 H new ATOM 25 N ALA A 3 -17.770 51.748 -22.778 1.00 0.00 N ATOM 26 CA ALA A 3 -16.695 50.817 -23.084 1.00 0.00 C ATOM 27 C ALA A 3 -17.311 49.419 -23.110 1.00 0.00 C ATOM 28 O ALA A 3 -18.346 49.192 -22.477 1.00 0.00 O ATOM 29 CB ALA A 3 -15.602 50.904 -22.010 1.00 0.00 C ATOM 0 H ALA A 3 -18.506 51.320 -22.217 1.00 0.00 H new ATOM 0 HA ALA A 3 -16.233 51.051 -24.043 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -14.802 50.203 -22.248 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -15.201 51.917 -21.981 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -16.026 50.654 -21.038 1.00 0.00 H new ATOM 35 N SER A 4 -16.695 48.475 -23.821 1.00 0.00 N ATOM 36 CA SER A 4 -17.179 47.099 -23.921 1.00 0.00 C ATOM 37 C SER A 4 -15.997 46.150 -24.189 1.00 0.00 C ATOM 38 O SER A 4 -15.824 45.700 -25.320 1.00 0.00 O ATOM 39 CB SER A 4 -18.263 47.003 -25.010 1.00 0.00 C ATOM 40 OG SER A 4 -19.314 47.925 -24.770 1.00 0.00 O ATOM 0 H SER A 4 -15.839 48.646 -24.348 1.00 0.00 H new ATOM 0 HA SER A 4 -17.636 46.795 -22.979 1.00 0.00 H new ATOM 0 HB2 SER A 4 -17.820 47.199 -25.986 1.00 0.00 H new ATOM 0 HB3 SER A 4 -18.664 45.990 -25.039 1.00 0.00 H new ATOM 0 HG SER A 4 -19.988 47.844 -25.477 1.00 0.00 H new ATOM 46 N PRO A 5 -15.128 45.895 -23.194 1.00 0.00 N ATOM 47 CA PRO A 5 -13.995 44.997 -23.371 1.00 0.00 C ATOM 48 C PRO A 5 -14.483 43.541 -23.416 1.00 0.00 C ATOM 49 O PRO A 5 -15.540 43.211 -22.873 1.00 0.00 O ATOM 50 CB PRO A 5 -13.099 45.253 -22.156 1.00 0.00 C ATOM 51 CG PRO A 5 -14.100 45.619 -21.060 1.00 0.00 C ATOM 52 CD PRO A 5 -15.200 46.366 -21.817 1.00 0.00 C ATOM 0 HA PRO A 5 -13.458 45.170 -24.303 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -12.516 44.371 -21.892 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -12.390 46.060 -22.341 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -14.489 44.732 -20.559 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -13.644 46.245 -20.293 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -16.180 46.161 -21.385 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -15.047 47.444 -21.764 1.00 0.00 H new ATOM 60 N SER A 6 -13.718 42.670 -24.069 1.00 0.00 N ATOM 61 CA SER A 6 -14.026 41.252 -24.188 1.00 0.00 C ATOM 62 C SER A 6 -13.503 40.510 -22.947 1.00 0.00 C ATOM 63 O SER A 6 -12.667 41.032 -22.206 1.00 0.00 O ATOM 64 CB SER A 6 -13.420 40.733 -25.503 1.00 0.00 C ATOM 65 OG SER A 6 -12.141 41.294 -25.763 1.00 0.00 O ATOM 0 H SER A 6 -12.852 42.937 -24.538 1.00 0.00 H new ATOM 0 HA SER A 6 -15.101 41.077 -24.227 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.336 39.647 -25.459 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.092 40.968 -26.328 1.00 0.00 H new ATOM 0 HG SER A 6 -11.792 40.936 -26.606 1.00 0.00 H new ATOM 71 N ALA A 7 -13.979 39.282 -22.708 1.00 0.00 N ATOM 72 CA ALA A 7 -13.564 38.463 -21.575 1.00 0.00 C ATOM 73 C ALA A 7 -13.622 36.987 -21.957 1.00 0.00 C ATOM 74 O ALA A 7 -14.536 36.557 -22.665 1.00 0.00 O ATOM 75 CB ALA A 7 -14.481 38.719 -20.381 1.00 0.00 C ATOM 0 H ALA A 7 -14.670 38.829 -23.306 1.00 0.00 H new ATOM 0 HA ALA A 7 -12.542 38.727 -21.303 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -14.163 38.103 -19.540 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -14.428 39.771 -20.101 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -15.507 38.466 -20.649 1.00 0.00 H new ATOM 81 N LEU A 8 -12.653 36.213 -21.466 1.00 0.00 N ATOM 82 CA LEU A 8 -12.500 34.782 -21.704 1.00 0.00 C ATOM 83 C LEU A 8 -12.076 34.134 -20.390 1.00 0.00 C ATOM 84 O LEU A 8 -11.471 34.799 -19.542 1.00 0.00 O ATOM 85 CB LEU A 8 -11.425 34.536 -22.779 1.00 0.00 C ATOM 86 CG LEU A 8 -11.709 35.186 -24.148 1.00 0.00 C ATOM 87 CD1 LEU A 8 -10.458 35.101 -25.030 1.00 0.00 C ATOM 88 CD2 LEU A 8 -12.878 34.515 -24.878 1.00 0.00 C ATOM 0 H LEU A 8 -11.920 36.587 -20.863 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.439 34.355 -22.056 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.470 34.909 -22.408 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.314 33.461 -22.921 1.00 0.00 H new ATOM 0 HG LEU A 8 -11.979 36.226 -23.962 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.662 35.561 -25.997 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.635 35.626 -24.545 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -10.186 34.056 -25.176 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.039 35.008 -25.837 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -12.647 33.463 -25.045 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -13.780 34.596 -24.272 1.00 0.00 H new ATOM 100 N LYS A 9 -12.383 32.849 -20.214 1.00 0.00 N ATOM 101 CA LYS A 9 -12.076 32.055 -19.024 1.00 0.00 C ATOM 102 C LYS A 9 -11.653 30.650 -19.467 1.00 0.00 C ATOM 103 O LYS A 9 -11.958 30.258 -20.597 1.00 0.00 O ATOM 104 CB LYS A 9 -13.307 31.999 -18.096 1.00 0.00 C ATOM 105 CG LYS A 9 -13.848 33.366 -17.630 1.00 0.00 C ATOM 106 CD LYS A 9 -14.905 34.000 -18.562 1.00 0.00 C ATOM 107 CE LYS A 9 -16.330 33.878 -18.006 1.00 0.00 C ATOM 108 NZ LYS A 9 -16.861 32.498 -18.042 1.00 0.00 N ATOM 0 H LYS A 9 -12.873 32.310 -20.927 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.260 32.513 -18.465 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.106 31.468 -18.613 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.050 31.410 -17.216 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -14.283 33.249 -16.638 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.011 34.057 -17.531 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.667 35.053 -18.713 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -14.858 33.519 -19.539 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.342 34.237 -16.977 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -16.992 34.529 -18.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -17.825 32.487 -17.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -16.880 32.159 -19.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -16.251 31.876 -17.474 1.00 0.00 H new ATOM 122 N GLY A 10 -10.990 29.882 -18.603 1.00 0.00 N ATOM 123 CA GLY A 10 -10.520 28.537 -18.890 1.00 0.00 C ATOM 124 C GLY A 10 -9.458 28.133 -17.873 1.00 0.00 C ATOM 125 O GLY A 10 -8.976 28.967 -17.101 1.00 0.00 O ATOM 0 H GLY A 10 -10.761 30.192 -17.659 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.354 27.836 -18.857 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.107 28.494 -19.898 1.00 0.00 H new ATOM 129 N VAL A 11 -9.100 26.852 -17.850 1.00 0.00 N ATOM 130 CA VAL A 11 -8.092 26.279 -16.964 1.00 0.00 C ATOM 131 C VAL A 11 -7.510 25.047 -17.665 1.00 0.00 C ATOM 132 O VAL A 11 -8.236 24.099 -17.954 1.00 0.00 O ATOM 133 CB VAL A 11 -8.697 26.003 -15.568 1.00 0.00 C ATOM 134 CG1 VAL A 11 -9.779 24.916 -15.524 1.00 0.00 C ATOM 135 CG2 VAL A 11 -7.591 25.691 -14.553 1.00 0.00 C ATOM 0 H VAL A 11 -9.519 26.160 -18.471 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.270 26.969 -16.775 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.210 26.927 -15.301 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.137 24.800 -14.501 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.610 25.203 -16.169 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.360 23.971 -15.871 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.036 25.500 -13.577 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -7.037 24.810 -14.878 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.912 26.541 -14.482 1.00 0.00 H new ATOM 145 N SER A 12 -6.206 25.030 -17.935 1.00 0.00 N ATOM 146 CA SER A 12 -5.524 23.936 -18.614 1.00 0.00 C ATOM 147 C SER A 12 -4.963 22.881 -17.657 1.00 0.00 C ATOM 148 O SER A 12 -4.253 21.988 -18.091 1.00 0.00 O ATOM 149 CB SER A 12 -4.436 24.551 -19.520 1.00 0.00 C ATOM 150 OG SER A 12 -4.089 23.727 -20.620 1.00 0.00 O ATOM 0 H SER A 12 -5.582 25.796 -17.681 1.00 0.00 H new ATOM 0 HA SER A 12 -6.246 23.385 -19.217 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.785 25.514 -19.893 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.544 24.744 -18.924 1.00 0.00 H new ATOM 0 HG SER A 12 -3.398 24.170 -21.156 1.00 0.00 H new ATOM 156 N GLN A 13 -5.288 22.924 -16.367 1.00 0.00 N ATOM 157 CA GLN A 13 -4.772 21.963 -15.376 1.00 0.00 C ATOM 158 C GLN A 13 -4.916 20.501 -15.809 1.00 0.00 C ATOM 159 O GLN A 13 -3.919 19.779 -15.858 1.00 0.00 O ATOM 160 CB GLN A 13 -5.393 22.181 -13.987 1.00 0.00 C ATOM 161 CG GLN A 13 -4.714 23.310 -13.198 1.00 0.00 C ATOM 162 CD GLN A 13 -3.367 22.911 -12.585 1.00 0.00 C ATOM 163 OE1 GLN A 13 -2.539 22.238 -13.198 1.00 0.00 O ATOM 164 NE2 GLN A 13 -3.090 23.329 -11.360 1.00 0.00 N ATOM 0 H GLN A 13 -5.916 23.624 -15.972 1.00 0.00 H new ATOM 0 HA GLN A 13 -3.703 22.166 -15.311 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.453 22.410 -14.100 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.327 21.255 -13.416 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.563 24.163 -13.859 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.382 23.638 -12.402 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.771 23.887 -10.845 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.195 23.093 -10.931 1.00 0.00 H new ATOM 173 N ALA A 14 -6.128 20.085 -16.178 1.00 0.00 N ATOM 174 CA ALA A 14 -6.404 18.720 -16.610 1.00 0.00 C ATOM 175 C ALA A 14 -5.758 18.361 -17.954 1.00 0.00 C ATOM 176 O ALA A 14 -5.880 17.226 -18.408 1.00 0.00 O ATOM 177 CB ALA A 14 -7.913 18.529 -16.671 1.00 0.00 C ATOM 0 H ALA A 14 -6.948 20.691 -16.185 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.957 18.043 -15.882 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.138 17.512 -16.993 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.342 18.701 -15.684 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.341 19.237 -17.380 1.00 0.00 H new ATOM 183 N LEU A 15 -5.224 19.343 -18.680 1.00 0.00 N ATOM 184 CA LEU A 15 -4.536 19.159 -19.951 1.00 0.00 C ATOM 185 C LEU A 15 -3.041 19.054 -19.643 1.00 0.00 C ATOM 186 O LEU A 15 -2.348 18.207 -20.197 1.00 0.00 O ATOM 187 CB LEU A 15 -4.873 20.296 -20.935 1.00 0.00 C ATOM 188 CG LEU A 15 -6.157 20.085 -21.767 1.00 0.00 C ATOM 189 CD1 LEU A 15 -6.045 18.943 -22.784 1.00 0.00 C ATOM 190 CD2 LEU A 15 -7.394 19.859 -20.895 1.00 0.00 C ATOM 0 H LEU A 15 -5.261 20.319 -18.387 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.864 18.247 -20.450 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.972 21.224 -20.373 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.033 20.425 -21.618 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.276 21.019 -22.317 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.982 18.851 -23.333 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.235 19.155 -23.482 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.838 18.009 -22.261 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.267 19.717 -21.532 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.247 18.973 -20.277 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.550 20.726 -20.254 1.00 0.00 H new ATOM 202 N LEU A 16 -2.539 19.868 -18.707 1.00 0.00 N ATOM 203 CA LEU A 16 -1.143 19.896 -18.289 1.00 0.00 C ATOM 204 C LEU A 16 -0.692 18.547 -17.736 1.00 0.00 C ATOM 205 O LEU A 16 0.498 18.252 -17.815 1.00 0.00 O ATOM 206 CB LEU A 16 -0.877 21.034 -17.289 1.00 0.00 C ATOM 207 CG LEU A 16 -0.952 22.439 -17.916 1.00 0.00 C ATOM 208 CD1 LEU A 16 -0.744 23.503 -16.832 1.00 0.00 C ATOM 209 CD2 LEU A 16 0.047 22.630 -19.059 1.00 0.00 C ATOM 0 H LEU A 16 -3.116 20.545 -18.207 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.544 20.096 -19.177 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.601 20.969 -16.477 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.110 20.895 -16.848 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.945 22.550 -18.351 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.798 24.495 -17.281 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.520 23.405 -16.073 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.234 23.366 -16.371 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.051 23.638 -19.463 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.060 22.486 -18.684 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.156 21.903 -19.845 1.00 0.00 H new ATOM 221 N GLU A 17 -1.602 17.682 -17.263 1.00 0.00 N ATOM 222 CA GLU A 17 -1.211 16.361 -16.759 1.00 0.00 C ATOM 223 C GLU A 17 -0.524 15.552 -17.875 1.00 0.00 C ATOM 224 O GLU A 17 0.192 14.585 -17.614 1.00 0.00 O ATOM 225 CB GLU A 17 -2.403 15.603 -16.158 1.00 0.00 C ATOM 226 CG GLU A 17 -3.367 14.948 -17.162 1.00 0.00 C ATOM 227 CD GLU A 17 -4.391 14.008 -16.503 1.00 0.00 C ATOM 228 OE1 GLU A 17 -4.108 13.409 -15.443 1.00 0.00 O ATOM 229 OE2 GLU A 17 -5.451 13.750 -17.116 1.00 0.00 O ATOM 0 H GLU A 17 -2.603 17.872 -17.220 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.496 16.503 -15.949 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.017 14.827 -15.497 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.972 16.296 -15.538 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.899 15.729 -17.706 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.789 14.386 -17.896 1.00 0.00 H new ATOM 236 N ARG A 18 -0.781 15.915 -19.140 1.00 0.00 N ATOM 237 CA ARG A 18 -0.168 15.289 -20.302 1.00 0.00 C ATOM 238 C ARG A 18 1.307 15.693 -20.280 1.00 0.00 C ATOM 239 O ARG A 18 2.181 14.822 -20.278 1.00 0.00 O ATOM 240 CB ARG A 18 -0.848 15.690 -21.628 1.00 0.00 C ATOM 241 CG ARG A 18 -2.184 14.976 -21.898 1.00 0.00 C ATOM 242 CD ARG A 18 -3.405 15.490 -21.119 1.00 0.00 C ATOM 243 NE ARG A 18 -4.583 14.626 -21.313 1.00 0.00 N ATOM 244 CZ ARG A 18 -4.789 13.430 -20.745 1.00 0.00 C ATOM 245 NH1 ARG A 18 -3.897 12.924 -19.900 1.00 0.00 N ATOM 246 NH2 ARG A 18 -5.864 12.717 -21.054 1.00 0.00 N ATOM 0 H ARG A 18 -1.431 16.664 -19.379 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.284 14.207 -20.249 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.020 16.766 -21.623 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.165 15.480 -22.451 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.402 15.052 -22.963 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.057 13.917 -21.673 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.163 15.541 -20.057 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.641 16.504 -21.442 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.311 14.971 -21.939 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.049 13.447 -19.680 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.060 12.013 -19.471 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.539 13.078 -21.727 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.015 11.807 -20.618 1.00 0.00 H new ATOM 260 N ILE A 19 1.564 17.005 -20.235 1.00 0.00 N ATOM 261 CA ILE A 19 2.885 17.629 -20.207 1.00 0.00 C ATOM 262 C ILE A 19 3.699 17.149 -19.000 1.00 0.00 C ATOM 263 O ILE A 19 4.916 17.014 -19.121 1.00 0.00 O ATOM 264 CB ILE A 19 2.780 19.175 -20.279 1.00 0.00 C ATOM 265 CG1 ILE A 19 1.884 19.584 -21.474 1.00 0.00 C ATOM 266 CG2 ILE A 19 4.187 19.794 -20.403 1.00 0.00 C ATOM 267 CD1 ILE A 19 1.915 21.075 -21.821 1.00 0.00 C ATOM 0 H ILE A 19 0.813 17.695 -20.216 1.00 0.00 H new ATOM 0 HA ILE A 19 3.429 17.313 -21.097 1.00 0.00 H new ATOM 0 HB ILE A 19 2.324 19.551 -19.363 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.191 19.015 -22.351 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.856 19.298 -21.253 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.104 20.880 -20.453 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.785 19.515 -19.535 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.668 19.425 -21.309 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.258 21.265 -22.669 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.577 21.655 -20.963 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.933 21.368 -22.078 1.00 0.00 H new ATOM 279 N ARG A 20 3.067 16.810 -17.872 1.00 0.00 N ATOM 280 CA ARG A 20 3.762 16.314 -16.680 1.00 0.00 C ATOM 281 C ARG A 20 4.635 15.105 -17.038 1.00 0.00 C ATOM 282 O ARG A 20 5.683 14.923 -16.430 1.00 0.00 O ATOM 283 CB ARG A 20 2.716 16.040 -15.582 1.00 0.00 C ATOM 284 CG ARG A 20 3.188 15.286 -14.323 1.00 0.00 C ATOM 285 CD ARG A 20 2.969 13.774 -14.488 1.00 0.00 C ATOM 286 NE ARG A 20 3.108 13.027 -13.226 1.00 0.00 N ATOM 287 CZ ARG A 20 2.148 12.322 -12.612 1.00 0.00 C ATOM 288 NH1 ARG A 20 0.863 12.515 -12.890 1.00 0.00 N ATOM 289 NH2 ARG A 20 2.497 11.399 -11.729 1.00 0.00 N ATOM 0 H ARG A 20 2.055 16.872 -17.760 1.00 0.00 H new ATOM 0 HA ARG A 20 4.453 17.058 -16.284 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.302 16.997 -15.265 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.900 15.472 -16.029 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.244 15.489 -14.145 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.642 15.645 -13.451 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.974 13.600 -14.898 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.685 13.387 -15.213 1.00 0.00 H new ATOM 0 HE ARG A 20 4.023 13.048 -12.776 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.590 13.212 -13.583 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.149 11.967 -12.410 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.483 11.234 -11.526 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.780 10.853 -11.252 1.00 0.00 H new ATOM 303 N ALA A 21 4.257 14.280 -18.020 1.00 0.00 N ATOM 304 CA ALA A 21 5.071 13.135 -18.405 1.00 0.00 C ATOM 305 C ALA A 21 6.303 13.559 -19.226 1.00 0.00 C ATOM 306 O ALA A 21 7.345 12.912 -19.145 1.00 0.00 O ATOM 307 CB ALA A 21 4.218 12.140 -19.189 1.00 0.00 C ATOM 0 H ALA A 21 3.396 14.387 -18.557 1.00 0.00 H new ATOM 0 HA ALA A 21 5.440 12.659 -17.496 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.829 11.284 -19.476 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.389 11.802 -18.567 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.826 12.623 -20.084 1.00 0.00 H new ATOM 313 N LYS A 22 6.221 14.642 -20.014 1.00 0.00 N ATOM 314 CA LYS A 22 7.338 15.118 -20.838 1.00 0.00 C ATOM 315 C LYS A 22 8.545 15.544 -20.009 1.00 0.00 C ATOM 316 O LYS A 22 9.635 15.646 -20.571 1.00 0.00 O ATOM 317 CB LYS A 22 6.916 16.269 -21.766 1.00 0.00 C ATOM 318 CG LYS A 22 6.234 15.794 -23.060 1.00 0.00 C ATOM 319 CD LYS A 22 4.855 16.436 -23.244 1.00 0.00 C ATOM 320 CE LYS A 22 4.441 16.502 -24.715 1.00 0.00 C ATOM 321 NZ LYS A 22 5.145 17.577 -25.445 1.00 0.00 N ATOM 0 H LYS A 22 5.378 15.211 -20.096 1.00 0.00 H new ATOM 0 HA LYS A 22 7.634 14.264 -21.447 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.236 16.929 -21.227 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.796 16.859 -22.024 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.865 16.038 -23.914 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.130 14.709 -23.039 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.113 15.866 -22.685 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.866 17.442 -22.826 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.649 15.544 -25.193 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.365 16.664 -24.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.773 17.640 -26.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.996 18.483 -24.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.163 17.365 -25.478 1.00 0.00 H new ATOM 335 N GLU A 23 8.400 15.850 -18.718 1.00 0.00 N ATOM 336 CA GLU A 23 9.547 16.233 -17.895 1.00 0.00 C ATOM 337 C GLU A 23 10.176 14.976 -17.282 1.00 0.00 C ATOM 338 O GLU A 23 11.391 14.940 -17.085 1.00 0.00 O ATOM 339 CB GLU A 23 9.174 17.267 -16.816 1.00 0.00 C ATOM 340 CG GLU A 23 7.947 16.903 -15.971 1.00 0.00 C ATOM 341 CD GLU A 23 7.794 17.780 -14.727 1.00 0.00 C ATOM 342 OE1 GLU A 23 7.722 19.027 -14.862 1.00 0.00 O ATOM 343 OE2 GLU A 23 7.737 17.230 -13.604 1.00 0.00 O ATOM 0 H GLU A 23 7.508 15.840 -18.224 1.00 0.00 H new ATOM 0 HA GLU A 23 10.281 16.722 -18.536 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.028 17.402 -16.152 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.992 18.227 -17.300 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.051 16.994 -16.585 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.020 15.859 -15.666 1.00 0.00 H new ATOM 350 N VAL A 24 9.383 13.924 -17.039 1.00 0.00 N ATOM 351 CA VAL A 24 9.813 12.658 -16.448 1.00 0.00 C ATOM 352 C VAL A 24 10.883 11.942 -17.281 1.00 0.00 C ATOM 353 O VAL A 24 11.682 11.202 -16.705 1.00 0.00 O ATOM 354 CB VAL A 24 8.571 11.782 -16.145 1.00 0.00 C ATOM 355 CG1 VAL A 24 8.923 10.387 -15.613 1.00 0.00 C ATOM 356 CG2 VAL A 24 7.677 12.445 -15.087 1.00 0.00 C ATOM 0 H VAL A 24 8.387 13.936 -17.259 1.00 0.00 H new ATOM 0 HA VAL A 24 10.313 12.867 -15.502 1.00 0.00 H new ATOM 0 HB VAL A 24 8.060 11.682 -17.102 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.007 9.828 -15.422 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.524 9.857 -16.352 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.489 10.483 -14.686 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.812 11.811 -14.892 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.243 12.580 -14.165 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.340 13.415 -15.452 1.00 0.00 H new ATOM 366 N GLN A 25 10.995 12.219 -18.586 1.00 0.00 N ATOM 367 CA GLN A 25 11.990 11.597 -19.467 1.00 0.00 C ATOM 368 C GLN A 25 13.418 11.664 -18.898 1.00 0.00 C ATOM 369 O GLN A 25 14.236 10.801 -19.203 1.00 0.00 O ATOM 370 CB GLN A 25 11.906 12.200 -20.873 1.00 0.00 C ATOM 371 CG GLN A 25 12.262 13.690 -20.922 1.00 0.00 C ATOM 372 CD GLN A 25 12.106 14.282 -22.322 1.00 0.00 C ATOM 373 OE1 GLN A 25 11.684 13.616 -23.263 1.00 0.00 O ATOM 374 NE2 GLN A 25 12.478 15.533 -22.519 1.00 0.00 N ATOM 0 H GLN A 25 10.391 12.888 -19.064 1.00 0.00 H new ATOM 0 HA GLN A 25 11.749 10.536 -19.532 1.00 0.00 H new ATOM 0 HB2 GLN A 25 12.577 11.652 -21.535 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.896 12.063 -21.259 1.00 0.00 H new ATOM 0 HG2 GLN A 25 11.624 14.236 -20.227 1.00 0.00 H new ATOM 0 HG3 GLN A 25 13.290 13.826 -20.586 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.829 16.089 -21.740 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.414 15.943 -23.451 1.00 0.00 H new ATOM 383 N LYS A 26 13.731 12.643 -18.034 1.00 0.00 N ATOM 384 CA LYS A 26 15.035 12.800 -17.378 1.00 0.00 C ATOM 385 C LYS A 26 15.499 11.508 -16.711 1.00 0.00 C ATOM 386 O LYS A 26 16.695 11.249 -16.595 1.00 0.00 O ATOM 387 CB LYS A 26 14.957 13.927 -16.348 1.00 0.00 C ATOM 388 CG LYS A 26 13.861 13.798 -15.267 1.00 0.00 C ATOM 389 CD LYS A 26 13.461 15.177 -14.725 1.00 0.00 C ATOM 390 CE LYS A 26 14.475 15.776 -13.747 1.00 0.00 C ATOM 391 NZ LYS A 26 14.279 15.301 -12.363 1.00 0.00 N ATOM 0 H LYS A 26 13.064 13.366 -17.766 1.00 0.00 H new ATOM 0 HA LYS A 26 15.768 13.050 -18.145 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.923 13.999 -15.848 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.802 14.866 -16.880 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.987 13.301 -15.687 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.222 13.173 -14.450 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.330 15.862 -15.563 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.495 15.095 -14.227 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.483 15.523 -14.075 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.396 16.863 -13.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.991 15.737 -11.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 13.327 15.565 -12.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.381 14.266 -12.333 1.00 0.00 H new ATOM 405 N GLN A 27 14.544 10.697 -16.266 1.00 0.00 N ATOM 406 CA GLN A 27 14.733 9.398 -15.627 1.00 0.00 C ATOM 407 C GLN A 27 15.500 8.414 -16.525 1.00 0.00 C ATOM 408 O GLN A 27 16.025 7.422 -16.011 1.00 0.00 O ATOM 409 CB GLN A 27 13.367 8.820 -15.222 1.00 0.00 C ATOM 410 CG GLN A 27 12.706 9.600 -14.072 1.00 0.00 C ATOM 411 CD GLN A 27 13.392 9.306 -12.741 1.00 0.00 C ATOM 412 OE1 GLN A 27 13.043 8.360 -12.042 1.00 0.00 O ATOM 413 NE2 GLN A 27 14.407 10.073 -12.381 1.00 0.00 N ATOM 0 H GLN A 27 13.558 10.944 -16.347 1.00 0.00 H new ATOM 0 HA GLN A 27 15.343 9.546 -14.736 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.704 8.826 -16.087 1.00 0.00 H new ATOM 0 HB3 GLN A 27 13.492 7.779 -14.924 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.753 10.669 -14.280 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.651 9.334 -14.007 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.688 10.857 -12.970 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.909 9.881 -11.514 1.00 0.00 H new ATOM 422 N LEU A 28 15.568 8.646 -17.842 1.00 0.00 N ATOM 423 CA LEU A 28 16.292 7.790 -18.779 1.00 0.00 C ATOM 424 C LEU A 28 17.789 7.867 -18.498 1.00 0.00 C ATOM 425 O LEU A 28 18.466 6.851 -18.372 1.00 0.00 O ATOM 426 CB LEU A 28 15.882 8.050 -20.234 1.00 0.00 C ATOM 427 CG LEU A 28 16.586 9.204 -20.942 1.00 0.00 C ATOM 428 CD1 LEU A 28 17.901 8.771 -21.604 1.00 0.00 C ATOM 429 CD2 LEU A 28 15.685 9.799 -22.026 1.00 0.00 C ATOM 0 H LEU A 28 15.115 9.444 -18.288 1.00 0.00 H new ATOM 0 HA LEU A 28 16.009 6.749 -18.620 1.00 0.00 H new ATOM 0 HB2 LEU A 28 16.059 7.139 -20.807 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.809 8.238 -20.258 1.00 0.00 H new ATOM 0 HG LEU A 28 16.806 9.944 -20.172 1.00 0.00 H new ATOM 0 HD11 LEU A 28 18.362 9.629 -22.094 1.00 0.00 H new ATOM 0 HD12 LEU A 28 18.578 8.379 -20.845 1.00 0.00 H new ATOM 0 HD13 LEU A 28 17.698 7.997 -22.344 1.00 0.00 H new ATOM 0 HD21 LEU A 28 16.204 10.621 -22.520 1.00 0.00 H new ATOM 0 HD22 LEU A 28 15.442 9.030 -22.759 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.766 10.171 -21.572 1.00 0.00 H new ATOM 441 N ALA A 29 18.278 9.095 -18.354 1.00 0.00 N ATOM 442 CA ALA A 29 19.674 9.394 -18.105 1.00 0.00 C ATOM 443 C ALA A 29 20.144 8.821 -16.763 1.00 0.00 C ATOM 444 O ALA A 29 19.398 8.730 -15.780 1.00 0.00 O ATOM 445 CB ALA A 29 19.909 10.897 -18.248 1.00 0.00 C ATOM 0 H ALA A 29 17.693 9.929 -18.410 1.00 0.00 H new ATOM 0 HA ALA A 29 20.292 8.898 -18.854 1.00 0.00 H new ATOM 0 HB1 ALA A 29 20.959 11.121 -18.060 1.00 0.00 H new ATOM 0 HB2 ALA A 29 19.646 11.212 -19.258 1.00 0.00 H new ATOM 0 HB3 ALA A 29 19.290 11.432 -17.528 1.00 0.00 H new ATOM 451 N ARG A 30 21.425 8.454 -16.720 1.00 0.00 N ATOM 452 CA ARG A 30 22.105 7.855 -15.583 1.00 0.00 C ATOM 453 C ARG A 30 22.415 8.870 -14.495 1.00 0.00 C ATOM 454 O ARG A 30 23.413 9.589 -14.582 1.00 0.00 O ATOM 455 CB ARG A 30 23.379 7.133 -16.069 1.00 0.00 C ATOM 456 CG ARG A 30 23.933 6.109 -15.063 1.00 0.00 C ATOM 457 CD ARG A 30 23.003 4.904 -14.852 1.00 0.00 C ATOM 458 NE ARG A 30 22.758 4.164 -16.100 1.00 0.00 N ATOM 459 CZ ARG A 30 23.313 3.009 -16.479 1.00 0.00 C ATOM 460 NH1 ARG A 30 24.257 2.424 -15.746 1.00 0.00 N ATOM 461 NH2 ARG A 30 22.906 2.464 -17.618 1.00 0.00 N ATOM 0 H ARG A 30 22.044 8.575 -17.522 1.00 0.00 H new ATOM 0 HA ARG A 30 21.435 7.125 -15.128 1.00 0.00 H new ATOM 0 HB2 ARG A 30 23.162 6.625 -17.008 1.00 0.00 H new ATOM 0 HB3 ARG A 30 24.149 7.876 -16.279 1.00 0.00 H new ATOM 0 HG2 ARG A 30 24.903 5.755 -15.412 1.00 0.00 H new ATOM 0 HG3 ARG A 30 24.100 6.603 -14.106 1.00 0.00 H new ATOM 0 HD2 ARG A 30 23.443 4.233 -14.114 1.00 0.00 H new ATOM 0 HD3 ARG A 30 22.053 5.248 -14.443 1.00 0.00 H new ATOM 0 HE ARG A 30 22.089 4.579 -16.749 1.00 0.00 H new ATOM 0 HH11 ARG A 30 24.570 2.857 -14.877 1.00 0.00 H new ATOM 0 HH12 ARG A 30 24.668 1.542 -16.053 1.00 0.00 H new ATOM 0 HH21 ARG A 30 22.189 2.926 -18.177 1.00 0.00 H new ATOM 0 HH22 ARG A 30 23.310 1.583 -17.935 1.00 0.00 H new ATOM 475 N MET A 31 21.571 8.933 -13.477 1.00 0.00 N ATOM 476 CA MET A 31 21.643 9.774 -12.307 1.00 0.00 C ATOM 477 C MET A 31 21.219 8.900 -11.135 1.00 0.00 C ATOM 478 O MET A 31 20.347 8.041 -11.279 1.00 0.00 O ATOM 479 CB MET A 31 20.719 10.984 -12.467 1.00 0.00 C ATOM 480 CG MET A 31 21.295 11.941 -13.506 1.00 0.00 C ATOM 481 SD MET A 31 20.457 11.991 -15.105 1.00 0.00 S ATOM 482 CE MET A 31 19.112 13.174 -14.823 1.00 0.00 C ATOM 0 H MET A 31 20.743 8.338 -13.454 1.00 0.00 H new ATOM 0 HA MET A 31 22.647 10.169 -12.150 1.00 0.00 H new ATOM 0 HB2 MET A 31 19.725 10.656 -12.773 1.00 0.00 H new ATOM 0 HB3 MET A 31 20.606 11.496 -11.511 1.00 0.00 H new ATOM 0 HG2 MET A 31 21.288 12.946 -13.085 1.00 0.00 H new ATOM 0 HG3 MET A 31 22.338 11.674 -13.675 1.00 0.00 H new ATOM 0 HE1 MET A 31 18.528 13.286 -15.737 1.00 0.00 H new ATOM 0 HE2 MET A 31 18.468 12.808 -14.023 1.00 0.00 H new ATOM 0 HE3 MET A 31 19.530 14.140 -14.539 1.00 0.00 H new ATOM 492 N THR A 32 21.791 9.144 -9.965 1.00 0.00 N ATOM 493 CA THR A 32 21.564 8.437 -8.711 1.00 0.00 C ATOM 494 C THR A 32 20.145 8.673 -8.144 1.00 0.00 C ATOM 495 O THR A 32 19.850 8.333 -6.999 1.00 0.00 O ATOM 496 CB THR A 32 22.751 8.835 -7.800 1.00 0.00 C ATOM 497 OG1 THR A 32 22.840 8.073 -6.620 1.00 0.00 O ATOM 498 CG2 THR A 32 22.772 10.317 -7.413 1.00 0.00 C ATOM 0 H THR A 32 22.474 9.894 -9.859 1.00 0.00 H new ATOM 0 HA THR A 32 21.558 7.353 -8.826 1.00 0.00 H new ATOM 0 HB THR A 32 23.615 8.623 -8.430 1.00 0.00 H new ATOM 0 HG1 THR A 32 21.939 7.855 -6.302 1.00 0.00 H new ATOM 0 HG21 THR A 32 23.633 10.514 -6.775 1.00 0.00 H new ATOM 0 HG22 THR A 32 22.840 10.927 -8.314 1.00 0.00 H new ATOM 0 HG23 THR A 32 21.857 10.565 -6.875 1.00 0.00 H new ATOM 506 N ARG A 33 19.246 9.299 -8.915 1.00 0.00 N ATOM 507 CA ARG A 33 17.875 9.593 -8.535 1.00 0.00 C ATOM 508 C ARG A 33 16.944 9.094 -9.623 1.00 0.00 C ATOM 509 O ARG A 33 16.542 9.841 -10.514 1.00 0.00 O ATOM 510 CB ARG A 33 17.655 11.080 -8.237 1.00 0.00 C ATOM 511 CG ARG A 33 18.321 11.547 -6.940 1.00 0.00 C ATOM 512 CD ARG A 33 19.781 11.966 -7.095 1.00 0.00 C ATOM 513 NE ARG A 33 19.911 13.237 -7.809 1.00 0.00 N ATOM 514 CZ ARG A 33 20.527 14.342 -7.386 1.00 0.00 C ATOM 515 NH1 ARG A 33 21.223 14.378 -6.251 1.00 0.00 N ATOM 516 NH2 ARG A 33 20.424 15.420 -8.146 1.00 0.00 N ATOM 0 H ARG A 33 19.472 9.623 -9.855 1.00 0.00 H new ATOM 0 HA ARG A 33 17.654 9.072 -7.604 1.00 0.00 H new ATOM 0 HB2 ARG A 33 18.042 11.670 -9.068 1.00 0.00 H new ATOM 0 HB3 ARG A 33 16.584 11.276 -8.178 1.00 0.00 H new ATOM 0 HG2 ARG A 33 17.755 12.388 -6.538 1.00 0.00 H new ATOM 0 HG3 ARG A 33 18.262 10.743 -6.206 1.00 0.00 H new ATOM 0 HD2 ARG A 33 20.240 12.054 -6.110 1.00 0.00 H new ATOM 0 HD3 ARG A 33 20.326 11.190 -7.632 1.00 0.00 H new ATOM 0 HE ARG A 33 19.483 13.283 -8.734 1.00 0.00 H new ATOM 0 HH11 ARG A 33 21.299 13.541 -5.672 1.00 0.00 H new ATOM 0 HH12 ARG A 33 21.680 15.242 -5.960 1.00 0.00 H new ATOM 0 HH21 ARG A 33 19.890 15.383 -9.014 1.00 0.00 H new ATOM 0 HH22 ARG A 33 20.878 16.288 -7.863 1.00 0.00 H new ATOM 530 N CYS A 34 16.690 7.798 -9.583 1.00 0.00 N ATOM 531 CA CYS A 34 15.813 7.063 -10.477 1.00 0.00 C ATOM 532 C CYS A 34 15.465 5.744 -9.777 1.00 0.00 C ATOM 533 O CYS A 34 14.323 5.600 -9.338 1.00 0.00 O ATOM 534 CB CYS A 34 16.399 6.941 -11.895 1.00 0.00 C ATOM 535 SG CYS A 34 15.302 5.950 -12.945 1.00 0.00 S ATOM 0 H CYS A 34 17.117 7.193 -8.882 1.00 0.00 H new ATOM 0 HA CYS A 34 14.881 7.596 -10.663 1.00 0.00 H new ATOM 0 HB2 CYS A 34 16.531 7.933 -12.328 1.00 0.00 H new ATOM 0 HB3 CYS A 34 17.385 6.479 -11.850 1.00 0.00 H new ATOM 0 HG CYS A 34 15.395 6.357 -14.176 1.00 0.00 H new ATOM 541 N PRO A 35 16.413 4.811 -9.558 1.00 0.00 N ATOM 542 CA PRO A 35 16.097 3.556 -8.885 1.00 0.00 C ATOM 543 C PRO A 35 15.719 3.782 -7.419 1.00 0.00 C ATOM 544 O PRO A 35 14.896 3.049 -6.879 1.00 0.00 O ATOM 545 CB PRO A 35 17.349 2.683 -9.038 1.00 0.00 C ATOM 546 CG PRO A 35 18.484 3.690 -9.212 1.00 0.00 C ATOM 547 CD PRO A 35 17.804 4.812 -9.991 1.00 0.00 C ATOM 0 HA PRO A 35 15.226 3.070 -9.324 1.00 0.00 H new ATOM 0 HB2 PRO A 35 17.505 2.053 -8.162 1.00 0.00 H new ATOM 0 HB3 PRO A 35 17.270 2.019 -9.899 1.00 0.00 H new ATOM 0 HG2 PRO A 35 18.871 4.036 -8.254 1.00 0.00 H new ATOM 0 HG3 PRO A 35 19.325 3.265 -9.761 1.00 0.00 H new ATOM 0 HD2 PRO A 35 18.277 5.773 -9.786 1.00 0.00 H new ATOM 0 HD3 PRO A 35 17.879 4.643 -11.065 1.00 0.00 H new ATOM 555 N GLU A 36 16.263 4.823 -6.785 1.00 0.00 N ATOM 556 CA GLU A 36 15.994 5.191 -5.394 1.00 0.00 C ATOM 557 C GLU A 36 14.544 5.667 -5.205 1.00 0.00 C ATOM 558 O GLU A 36 14.082 5.835 -4.077 1.00 0.00 O ATOM 559 CB GLU A 36 16.972 6.315 -5.012 1.00 0.00 C ATOM 560 CG GLU A 36 18.380 5.777 -4.711 1.00 0.00 C ATOM 561 CD GLU A 36 18.490 5.078 -3.353 1.00 0.00 C ATOM 562 OE1 GLU A 36 17.780 5.456 -2.393 1.00 0.00 O ATOM 563 OE2 GLU A 36 19.391 4.231 -3.175 1.00 0.00 O ATOM 0 H GLU A 36 16.924 5.453 -7.240 1.00 0.00 H new ATOM 0 HA GLU A 36 16.130 4.319 -4.754 1.00 0.00 H new ATOM 0 HB2 GLU A 36 17.027 7.039 -5.825 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.592 6.845 -4.138 1.00 0.00 H new ATOM 0 HG2 GLU A 36 18.668 5.077 -5.495 1.00 0.00 H new ATOM 0 HG3 GLU A 36 19.091 6.603 -4.744 1.00 0.00 H new ATOM 570 N GLN A 37 13.845 5.998 -6.293 1.00 0.00 N ATOM 571 CA GLN A 37 12.463 6.446 -6.268 1.00 0.00 C ATOM 572 C GLN A 37 11.486 5.317 -6.573 1.00 0.00 C ATOM 573 O GLN A 37 10.296 5.507 -6.325 1.00 0.00 O ATOM 574 CB GLN A 37 12.277 7.620 -7.233 1.00 0.00 C ATOM 575 CG GLN A 37 12.761 8.932 -6.595 1.00 0.00 C ATOM 576 CD GLN A 37 14.281 8.995 -6.481 1.00 0.00 C ATOM 577 OE1 GLN A 37 14.972 9.047 -7.490 1.00 0.00 O ATOM 578 NE2 GLN A 37 14.845 9.016 -5.285 1.00 0.00 N ATOM 0 H GLN A 37 14.238 5.959 -7.233 1.00 0.00 H new ATOM 0 HA GLN A 37 12.238 6.783 -5.256 1.00 0.00 H new ATOM 0 HB2 GLN A 37 12.830 7.432 -8.153 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.226 7.709 -7.506 1.00 0.00 H new ATOM 0 HG2 GLN A 37 12.408 9.774 -7.190 1.00 0.00 H new ATOM 0 HG3 GLN A 37 12.320 9.035 -5.604 1.00 0.00 H new ATOM 0 HE21 GLN A 37 14.265 8.972 -4.447 1.00 0.00 H new ATOM 0 HE22 GLN A 37 15.860 9.076 -5.201 1.00 0.00 H new ATOM 587 N GLU A 38 11.957 4.158 -7.050 1.00 0.00 N ATOM 588 CA GLU A 38 11.099 3.029 -7.398 1.00 0.00 C ATOM 589 C GLU A 38 10.191 2.625 -6.235 1.00 0.00 C ATOM 590 O GLU A 38 9.097 2.116 -6.461 1.00 0.00 O ATOM 591 CB GLU A 38 11.935 1.849 -7.940 1.00 0.00 C ATOM 592 CG GLU A 38 12.303 0.789 -6.883 1.00 0.00 C ATOM 593 CD GLU A 38 13.135 -0.367 -7.436 1.00 0.00 C ATOM 594 OE1 GLU A 38 12.991 -0.755 -8.620 1.00 0.00 O ATOM 595 OE2 GLU A 38 13.992 -0.889 -6.692 1.00 0.00 O ATOM 0 H GLU A 38 12.950 3.981 -7.204 1.00 0.00 H new ATOM 0 HA GLU A 38 10.434 3.345 -8.202 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.380 1.365 -8.744 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.853 2.241 -8.378 1.00 0.00 H new ATOM 0 HG2 GLU A 38 12.856 1.270 -6.076 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.387 0.390 -6.447 1.00 0.00 H new ATOM 602 N LEU A 39 10.646 2.851 -4.999 1.00 0.00 N ATOM 603 CA LEU A 39 9.918 2.545 -3.780 1.00 0.00 C ATOM 604 C LEU A 39 8.649 3.383 -3.685 1.00 0.00 C ATOM 605 O LEU A 39 7.585 2.852 -3.386 1.00 0.00 O ATOM 606 CB LEU A 39 10.841 2.743 -2.561 1.00 0.00 C ATOM 607 CG LEU A 39 11.449 4.137 -2.276 1.00 0.00 C ATOM 608 CD1 LEU A 39 10.671 4.906 -1.201 1.00 0.00 C ATOM 609 CD2 LEU A 39 12.891 3.993 -1.773 1.00 0.00 C ATOM 0 H LEU A 39 11.561 3.265 -4.822 1.00 0.00 H new ATOM 0 HA LEU A 39 9.604 1.501 -3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.279 2.446 -1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.669 2.042 -2.663 1.00 0.00 H new ATOM 0 HG LEU A 39 11.405 4.686 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.138 5.877 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.642 5.049 -1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.679 4.339 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.308 4.981 -1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.899 3.406 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.492 3.490 -2.530 1.00 0.00 H new ATOM 621 N ARG A 40 8.751 4.693 -3.925 1.00 0.00 N ATOM 622 CA ARG A 40 7.597 5.586 -3.870 1.00 0.00 C ATOM 623 C ARG A 40 6.611 5.160 -4.934 1.00 0.00 C ATOM 624 O ARG A 40 5.431 5.015 -4.641 1.00 0.00 O ATOM 625 CB ARG A 40 7.961 7.058 -4.138 1.00 0.00 C ATOM 626 CG ARG A 40 8.344 7.871 -2.898 1.00 0.00 C ATOM 627 CD ARG A 40 9.824 8.268 -2.880 1.00 0.00 C ATOM 628 NE ARG A 40 10.051 9.450 -2.034 1.00 0.00 N ATOM 629 CZ ARG A 40 9.895 9.541 -0.707 1.00 0.00 C ATOM 630 NH1 ARG A 40 9.520 8.499 0.028 1.00 0.00 N ATOM 631 NH2 ARG A 40 10.136 10.709 -0.122 1.00 0.00 N ATOM 0 H ARG A 40 9.628 5.158 -4.160 1.00 0.00 H new ATOM 0 HA ARG A 40 7.185 5.517 -2.863 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.792 7.088 -4.843 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.114 7.543 -4.623 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.731 8.771 -2.856 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.118 7.290 -2.004 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.422 7.434 -2.511 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.159 8.476 -3.896 1.00 0.00 H new ATOM 0 HE ARG A 40 10.362 10.296 -2.512 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.342 7.598 -0.417 1.00 0.00 H new ATOM 0 HH12 ARG A 40 9.410 8.600 1.037 1.00 0.00 H new ATOM 0 HH21 ARG A 40 10.432 11.508 -0.682 1.00 0.00 H new ATOM 0 HH22 ARG A 40 10.025 10.806 0.887 1.00 0.00 H new ATOM 645 N LEU A 41 7.104 4.998 -6.161 1.00 0.00 N ATOM 646 CA LEU A 41 6.284 4.615 -7.296 1.00 0.00 C ATOM 647 C LEU A 41 5.534 3.332 -6.974 1.00 0.00 C ATOM 648 O LEU A 41 4.312 3.349 -6.990 1.00 0.00 O ATOM 649 CB LEU A 41 7.124 4.546 -8.580 1.00 0.00 C ATOM 650 CG LEU A 41 7.899 5.845 -8.889 1.00 0.00 C ATOM 651 CD1 LEU A 41 8.558 5.770 -10.262 1.00 0.00 C ATOM 652 CD2 LEU A 41 7.043 7.111 -8.805 1.00 0.00 C ATOM 0 H LEU A 41 8.089 5.131 -6.391 1.00 0.00 H new ATOM 0 HA LEU A 41 5.529 5.377 -7.488 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.833 3.723 -8.495 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.468 4.317 -9.420 1.00 0.00 H new ATOM 0 HG LEU A 41 8.658 5.922 -8.110 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.098 6.696 -10.457 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.255 4.932 -10.286 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.793 5.628 -11.025 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.657 7.982 -9.035 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.225 7.045 -9.522 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.637 7.209 -7.798 1.00 0.00 H new ATOM 664 N GLN A 42 6.237 2.262 -6.604 1.00 0.00 N ATOM 665 CA GLN A 42 5.634 0.985 -6.262 1.00 0.00 C ATOM 666 C GLN A 42 4.581 1.146 -5.169 1.00 0.00 C ATOM 667 O GLN A 42 3.471 0.652 -5.340 1.00 0.00 O ATOM 668 CB GLN A 42 6.740 -0.023 -5.928 1.00 0.00 C ATOM 669 CG GLN A 42 6.302 -1.270 -5.153 1.00 0.00 C ATOM 670 CD GLN A 42 6.311 -1.034 -3.653 1.00 0.00 C ATOM 671 OE1 GLN A 42 5.286 -1.051 -2.975 1.00 0.00 O ATOM 672 NE2 GLN A 42 7.489 -0.799 -3.104 1.00 0.00 N ATOM 0 H GLN A 42 7.255 2.263 -6.534 1.00 0.00 H new ATOM 0 HA GLN A 42 5.088 0.585 -7.116 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.205 -0.344 -6.860 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.508 0.489 -5.348 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.300 -1.561 -5.469 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.966 -2.100 -5.394 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.329 -0.789 -3.683 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.559 -0.628 -2.101 1.00 0.00 H new ATOM 681 N ARG A 43 4.890 1.842 -4.066 1.00 0.00 N ATOM 682 CA ARG A 43 3.930 2.008 -2.979 1.00 0.00 C ATOM 683 C ARG A 43 2.668 2.711 -3.467 1.00 0.00 C ATOM 684 O ARG A 43 1.565 2.280 -3.122 1.00 0.00 O ATOM 685 CB ARG A 43 4.567 2.763 -1.798 1.00 0.00 C ATOM 686 CG ARG A 43 5.640 1.965 -1.034 1.00 0.00 C ATOM 687 CD ARG A 43 5.050 0.899 -0.106 1.00 0.00 C ATOM 688 NE ARG A 43 6.093 0.258 0.722 1.00 0.00 N ATOM 689 CZ ARG A 43 6.667 -0.934 0.521 1.00 0.00 C ATOM 690 NH1 ARG A 43 6.352 -1.668 -0.531 1.00 0.00 N ATOM 691 NH2 ARG A 43 7.579 -1.411 1.355 1.00 0.00 N ATOM 0 H ARG A 43 5.791 2.294 -3.908 1.00 0.00 H new ATOM 0 HA ARG A 43 3.642 1.017 -2.627 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.014 3.684 -2.171 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.780 3.050 -1.100 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.306 1.485 -1.751 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.247 2.654 -0.446 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.300 1.354 0.541 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.540 0.141 -0.700 1.00 0.00 H new ATOM 0 HE ARG A 43 6.411 0.782 1.537 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.664 -1.328 -1.202 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.797 -2.575 -0.672 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.858 -0.867 2.171 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.002 -2.322 1.181 1.00 0.00 H new ATOM 705 N LEU A 44 2.823 3.782 -4.245 1.00 0.00 N ATOM 706 CA LEU A 44 1.718 4.566 -4.781 1.00 0.00 C ATOM 707 C LEU A 44 0.897 3.773 -5.795 1.00 0.00 C ATOM 708 O LEU A 44 -0.327 3.900 -5.821 1.00 0.00 O ATOM 709 CB LEU A 44 2.252 5.846 -5.447 1.00 0.00 C ATOM 710 CG LEU A 44 2.850 6.871 -4.468 1.00 0.00 C ATOM 711 CD1 LEU A 44 3.554 7.983 -5.255 1.00 0.00 C ATOM 712 CD2 LEU A 44 1.778 7.501 -3.581 1.00 0.00 C ATOM 0 H LEU A 44 3.739 4.133 -4.524 1.00 0.00 H new ATOM 0 HA LEU A 44 1.067 4.824 -3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.014 5.571 -6.176 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.440 6.320 -5.999 1.00 0.00 H new ATOM 0 HG LEU A 44 3.558 6.342 -3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.977 8.709 -4.560 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.352 7.552 -5.860 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.834 8.480 -5.905 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.241 8.219 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.044 8.012 -4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.283 6.723 -3.001 1.00 0.00 H new ATOM 724 N GLU A 45 1.541 2.956 -6.623 1.00 0.00 N ATOM 725 CA GLU A 45 0.950 2.135 -7.666 1.00 0.00 C ATOM 726 C GLU A 45 0.121 0.967 -7.120 1.00 0.00 C ATOM 727 O GLU A 45 -0.545 0.309 -7.917 1.00 0.00 O ATOM 728 CB GLU A 45 2.060 1.643 -8.614 1.00 0.00 C ATOM 729 CG GLU A 45 2.590 2.744 -9.554 1.00 0.00 C ATOM 730 CD GLU A 45 1.641 3.128 -10.692 1.00 0.00 C ATOM 731 OE1 GLU A 45 0.709 2.364 -11.034 1.00 0.00 O ATOM 732 OE2 GLU A 45 1.830 4.194 -11.316 1.00 0.00 O ATOM 0 H GLU A 45 2.554 2.845 -6.578 1.00 0.00 H new ATOM 0 HA GLU A 45 0.244 2.756 -8.218 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.887 1.251 -8.022 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.677 0.817 -9.213 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.805 3.634 -8.963 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.535 2.411 -9.984 1.00 0.00 H new ATOM 739 N ARG A 46 0.091 0.713 -5.801 1.00 0.00 N ATOM 740 CA ARG A 46 -0.707 -0.386 -5.238 1.00 0.00 C ATOM 741 C ARG A 46 -2.205 -0.084 -5.200 1.00 0.00 C ATOM 742 O ARG A 46 -2.979 -0.991 -4.912 1.00 0.00 O ATOM 743 CB ARG A 46 -0.218 -0.827 -3.849 1.00 0.00 C ATOM 744 CG ARG A 46 1.207 -1.382 -3.934 1.00 0.00 C ATOM 745 CD ARG A 46 1.643 -2.166 -2.691 1.00 0.00 C ATOM 746 NE ARG A 46 1.256 -3.576 -2.815 1.00 0.00 N ATOM 747 CZ ARG A 46 0.486 -4.316 -2.018 1.00 0.00 C ATOM 748 NH1 ARG A 46 -0.024 -3.843 -0.885 1.00 0.00 N ATOM 749 NH2 ARG A 46 0.212 -5.564 -2.380 1.00 0.00 N ATOM 0 H ARG A 46 0.609 1.253 -5.108 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.557 -1.217 -5.927 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.245 0.019 -3.162 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.887 -1.587 -3.446 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.282 -2.032 -4.806 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.900 -0.555 -4.092 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.723 -2.088 -2.564 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.186 -1.733 -1.801 1.00 0.00 H new ATOM 0 HE ARG A 46 1.631 -4.060 -3.630 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.170 -2.883 -0.600 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.609 -4.440 -0.301 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.589 -5.937 -3.252 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.375 -6.150 -1.786 1.00 0.00 H new ATOM 763 N LEU A 47 -2.634 1.146 -5.507 1.00 0.00 N ATOM 764 CA LEU A 47 -4.043 1.547 -5.523 1.00 0.00 C ATOM 765 C LEU A 47 -4.927 0.489 -6.216 1.00 0.00 C ATOM 766 O LEU A 47 -5.823 -0.065 -5.569 1.00 0.00 O ATOM 767 CB LEU A 47 -4.204 2.942 -6.157 1.00 0.00 C ATOM 768 CG LEU A 47 -3.757 4.123 -5.286 1.00 0.00 C ATOM 769 CD1 LEU A 47 -3.908 5.405 -6.106 1.00 0.00 C ATOM 770 CD2 LEU A 47 -4.491 4.219 -3.942 1.00 0.00 C ATOM 0 H LEU A 47 -1.998 1.904 -5.756 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.388 1.613 -4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.637 2.966 -7.088 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.253 3.083 -6.419 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.714 3.966 -5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.595 6.260 -5.506 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.286 5.341 -6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.951 5.529 -6.399 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.119 5.079 -3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.560 4.336 -4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.316 3.310 -3.366 1.00 0.00 H new ATOM 782 N PRO A 48 -4.692 0.147 -7.499 1.00 0.00 N ATOM 783 CA PRO A 48 -5.479 -0.849 -8.194 1.00 0.00 C ATOM 784 C PRO A 48 -5.230 -2.241 -7.641 1.00 0.00 C ATOM 785 O PRO A 48 -6.173 -3.025 -7.678 1.00 0.00 O ATOM 786 CB PRO A 48 -5.069 -0.774 -9.667 1.00 0.00 C ATOM 787 CG PRO A 48 -3.627 -0.294 -9.586 1.00 0.00 C ATOM 788 CD PRO A 48 -3.705 0.683 -8.411 1.00 0.00 C ATOM 0 HA PRO A 48 -6.544 -0.653 -8.065 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -5.147 -1.743 -10.159 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -5.696 -0.081 -10.228 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.931 -1.111 -9.396 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.303 0.193 -10.506 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.736 0.780 -7.921 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -3.991 1.678 -8.752 1.00 0.00 H new ATOM 796 N GLU A 49 -4.020 -2.532 -7.145 1.00 0.00 N ATOM 797 CA GLU A 49 -3.608 -3.814 -6.582 1.00 0.00 C ATOM 798 C GLU A 49 -4.508 -4.217 -5.411 1.00 0.00 C ATOM 799 O GLU A 49 -4.743 -5.407 -5.192 1.00 0.00 O ATOM 800 CB GLU A 49 -2.114 -3.769 -6.185 1.00 0.00 C ATOM 801 CG GLU A 49 -1.405 -5.098 -6.467 1.00 0.00 C ATOM 802 CD GLU A 49 -1.258 -5.346 -7.973 1.00 0.00 C ATOM 803 OE1 GLU A 49 -0.392 -4.715 -8.620 1.00 0.00 O ATOM 804 OE2 GLU A 49 -2.025 -6.176 -8.516 1.00 0.00 O ATOM 0 H GLU A 49 -3.269 -1.842 -7.127 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.723 -4.585 -7.343 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.617 -2.969 -6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.028 -3.530 -5.125 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.420 -5.093 -6.000 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.968 -5.915 -6.016 1.00 0.00 H new ATOM 811 N LEU A 50 -5.035 -3.241 -4.667 1.00 0.00 N ATOM 812 CA LEU A 50 -5.929 -3.489 -3.542 1.00 0.00 C ATOM 813 C LEU A 50 -7.371 -3.525 -4.045 1.00 0.00 C ATOM 814 O LEU A 50 -8.109 -4.449 -3.705 1.00 0.00 O ATOM 815 CB LEU A 50 -5.774 -2.408 -2.449 1.00 0.00 C ATOM 816 CG LEU A 50 -4.785 -2.723 -1.304 1.00 0.00 C ATOM 817 CD1 LEU A 50 -5.167 -3.984 -0.518 1.00 0.00 C ATOM 818 CD2 LEU A 50 -3.346 -2.835 -1.813 1.00 0.00 C ATOM 0 H LEU A 50 -4.850 -2.252 -4.832 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.668 -4.449 -3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.458 -1.481 -2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.755 -2.222 -2.011 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.848 -1.878 -0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.437 -4.155 0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.155 -3.853 -0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.181 -4.842 -1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.681 -3.057 -0.978 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.282 -3.635 -2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.048 -1.893 -2.273 1.00 0.00 H new ATOM 830 N ALA A 51 -7.787 -2.546 -4.860 1.00 0.00 N ATOM 831 CA ALA A 51 -9.147 -2.464 -5.393 1.00 0.00 C ATOM 832 C ALA A 51 -9.560 -3.728 -6.161 1.00 0.00 C ATOM 833 O ALA A 51 -10.622 -4.286 -5.881 1.00 0.00 O ATOM 834 CB ALA A 51 -9.284 -1.210 -6.264 1.00 0.00 C ATOM 0 H ALA A 51 -7.182 -1.785 -5.168 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.832 -2.391 -4.549 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -10.298 -1.151 -6.660 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.077 -0.325 -5.662 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.574 -1.261 -7.090 1.00 0.00 H new ATOM 840 N ARG A 52 -8.726 -4.187 -7.104 1.00 0.00 N ATOM 841 CA ARG A 52 -8.994 -5.383 -7.911 1.00 0.00 C ATOM 842 C ARG A 52 -9.252 -6.593 -7.020 1.00 0.00 C ATOM 843 O ARG A 52 -10.323 -7.195 -7.028 1.00 0.00 O ATOM 844 CB ARG A 52 -7.869 -5.633 -8.942 1.00 0.00 C ATOM 845 CG ARG A 52 -6.458 -5.970 -8.426 1.00 0.00 C ATOM 846 CD ARG A 52 -5.310 -5.663 -9.398 1.00 0.00 C ATOM 847 NE ARG A 52 -5.392 -6.398 -10.671 1.00 0.00 N ATOM 848 CZ ARG A 52 -4.357 -6.795 -11.427 1.00 0.00 C ATOM 849 NH1 ARG A 52 -3.093 -6.692 -11.020 1.00 0.00 N ATOM 850 NH2 ARG A 52 -4.602 -7.302 -12.629 1.00 0.00 N ATOM 0 H ARG A 52 -7.840 -3.735 -7.329 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.904 -5.211 -8.485 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.189 -6.450 -9.589 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.789 -4.744 -9.567 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.286 -5.418 -7.502 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.425 -7.030 -8.175 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.301 -4.593 -9.608 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.363 -5.901 -8.913 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.326 -6.628 -11.011 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.883 -6.299 -10.102 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.335 -7.006 -11.626 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.563 -7.384 -12.962 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.830 -7.610 -13.220 1.00 0.00 H new ATOM 864 N VAL A 53 -8.258 -6.912 -6.202 1.00 0.00 N ATOM 865 CA VAL A 53 -8.293 -8.034 -5.274 1.00 0.00 C ATOM 866 C VAL A 53 -9.528 -7.959 -4.378 1.00 0.00 C ATOM 867 O VAL A 53 -10.207 -8.972 -4.237 1.00 0.00 O ATOM 868 CB VAL A 53 -6.971 -8.120 -4.499 1.00 0.00 C ATOM 869 CG1 VAL A 53 -7.020 -9.188 -3.404 1.00 0.00 C ATOM 870 CG2 VAL A 53 -5.851 -8.488 -5.478 1.00 0.00 C ATOM 0 H VAL A 53 -7.385 -6.386 -6.165 1.00 0.00 H new ATOM 0 HA VAL A 53 -8.387 -8.967 -5.829 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.793 -7.153 -4.029 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.065 -9.216 -2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.815 -8.948 -2.697 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.216 -10.161 -3.854 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.905 -8.553 -4.941 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.073 -9.450 -5.940 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.778 -7.723 -6.251 1.00 0.00 H new ATOM 880 N LEU A 54 -9.851 -6.796 -3.802 1.00 0.00 N ATOM 881 CA LEU A 54 -11.019 -6.605 -2.942 1.00 0.00 C ATOM 882 C LEU A 54 -12.276 -7.078 -3.679 1.00 0.00 C ATOM 883 O LEU A 54 -13.066 -7.873 -3.148 1.00 0.00 O ATOM 884 CB LEU A 54 -11.090 -5.129 -2.521 1.00 0.00 C ATOM 885 CG LEU A 54 -12.464 -4.639 -2.032 1.00 0.00 C ATOM 886 CD1 LEU A 54 -12.978 -5.415 -0.819 1.00 0.00 C ATOM 887 CD2 LEU A 54 -12.362 -3.160 -1.670 1.00 0.00 C ATOM 0 H LEU A 54 -9.297 -5.948 -3.924 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.941 -7.201 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.362 -4.961 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.786 -4.514 -3.368 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.174 -4.802 -2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.951 -5.023 -0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.075 -6.470 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -12.275 -5.306 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -13.331 -2.803 -1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -11.622 -3.029 -0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.060 -2.590 -2.549 1.00 0.00 H new ATOM 899 N ARG A 55 -12.476 -6.601 -4.911 1.00 0.00 N ATOM 900 CA ARG A 55 -13.630 -6.997 -5.709 1.00 0.00 C ATOM 901 C ARG A 55 -13.641 -8.520 -5.866 1.00 0.00 C ATOM 902 O ARG A 55 -14.660 -9.155 -5.587 1.00 0.00 O ATOM 903 CB ARG A 55 -13.593 -6.290 -7.079 1.00 0.00 C ATOM 904 CG ARG A 55 -14.864 -6.503 -7.927 1.00 0.00 C ATOM 905 CD ARG A 55 -14.622 -6.006 -9.364 1.00 0.00 C ATOM 906 NE ARG A 55 -15.835 -6.011 -10.204 1.00 0.00 N ATOM 907 CZ ARG A 55 -16.356 -7.048 -10.874 1.00 0.00 C ATOM 908 NH1 ARG A 55 -15.809 -8.262 -10.804 1.00 0.00 N ATOM 909 NH2 ARG A 55 -17.435 -6.868 -11.627 1.00 0.00 N ATOM 0 H ARG A 55 -11.851 -5.940 -5.374 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.549 -6.696 -5.205 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.448 -5.221 -6.921 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.730 -6.650 -7.639 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -15.132 -7.560 -7.938 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.702 -5.966 -7.483 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.221 -4.993 -9.326 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.863 -6.632 -9.833 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.333 -5.125 -10.284 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.978 -8.415 -10.232 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.221 -9.038 -11.322 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -17.863 -5.944 -11.693 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -17.836 -7.653 -12.139 1.00 0.00 H new ATOM 923 N ASN A 56 -12.502 -9.095 -6.250 1.00 0.00 N ATOM 924 CA ASN A 56 -12.283 -10.517 -6.516 1.00 0.00 C ATOM 925 C ASN A 56 -12.511 -11.437 -5.313 1.00 0.00 C ATOM 926 O ASN A 56 -13.026 -12.554 -5.455 1.00 0.00 O ATOM 927 CB ASN A 56 -10.887 -10.739 -7.124 1.00 0.00 C ATOM 928 CG ASN A 56 -10.649 -9.953 -8.415 1.00 0.00 C ATOM 929 OD1 ASN A 56 -11.556 -9.375 -9.006 1.00 0.00 O ATOM 930 ND2 ASN A 56 -9.411 -9.879 -8.862 1.00 0.00 N ATOM 0 H ASN A 56 -11.654 -8.546 -6.393 1.00 0.00 H new ATOM 0 HA ASN A 56 -13.049 -10.803 -7.236 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.132 -10.455 -6.391 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.752 -11.802 -7.325 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.204 -9.340 -9.702 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.660 -10.361 -8.367 1.00 0.00 H new ATOM 937 N VAL A 57 -12.166 -11.005 -4.105 1.00 0.00 N ATOM 938 CA VAL A 57 -12.341 -11.826 -2.914 1.00 0.00 C ATOM 939 C VAL A 57 -13.798 -11.856 -2.478 1.00 0.00 C ATOM 940 O VAL A 57 -14.298 -12.953 -2.225 1.00 0.00 O ATOM 941 CB VAL A 57 -11.308 -11.430 -1.857 1.00 0.00 C ATOM 942 CG1 VAL A 57 -11.451 -10.024 -1.294 1.00 0.00 C ATOM 943 CG2 VAL A 57 -11.187 -12.454 -0.723 1.00 0.00 C ATOM 0 H VAL A 57 -11.762 -10.086 -3.925 1.00 0.00 H new ATOM 0 HA VAL A 57 -12.129 -12.874 -3.123 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.376 -11.426 -2.423 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.670 -9.847 -0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.358 -9.298 -2.101 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.428 -9.919 -0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.439 -12.116 -0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.149 -12.557 -0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.886 -13.418 -1.134 1.00 0.00 H new ATOM 953 N PHE A 58 -14.508 -10.717 -2.438 1.00 0.00 N ATOM 954 CA PHE A 58 -15.920 -10.742 -2.031 1.00 0.00 C ATOM 955 C PHE A 58 -16.744 -11.507 -3.063 1.00 0.00 C ATOM 956 O PHE A 58 -17.749 -12.129 -2.718 1.00 0.00 O ATOM 957 CB PHE A 58 -16.539 -9.343 -2.010 1.00 0.00 C ATOM 958 CG PHE A 58 -16.380 -8.458 -0.795 1.00 0.00 C ATOM 959 CD1 PHE A 58 -15.196 -8.436 -0.035 1.00 0.00 C ATOM 960 CD2 PHE A 58 -17.412 -7.544 -0.503 1.00 0.00 C ATOM 961 CE1 PHE A 58 -15.049 -7.504 1.004 1.00 0.00 C ATOM 962 CE2 PHE A 58 -17.281 -6.651 0.572 1.00 0.00 C ATOM 963 CZ PHE A 58 -16.088 -6.613 1.310 1.00 0.00 C ATOM 0 H PHE A 58 -14.141 -9.795 -2.675 1.00 0.00 H new ATOM 0 HA PHE A 58 -15.937 -11.196 -1.040 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -16.133 -8.798 -2.862 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -17.608 -9.460 -2.186 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -14.402 -9.135 -0.251 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -18.306 -7.531 -1.108 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -14.130 -7.473 1.571 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -18.098 -5.994 0.831 1.00 0.00 H new ATOM 0 HZ PHE A 58 -15.970 -5.899 2.112 1.00 0.00 H new ATOM 973 N VAL A 59 -16.364 -11.420 -4.343 1.00 0.00 N ATOM 974 CA VAL A 59 -17.153 -12.126 -5.358 1.00 0.00 C ATOM 975 C VAL A 59 -17.019 -13.634 -5.142 1.00 0.00 C ATOM 976 O VAL A 59 -18.025 -14.344 -5.165 1.00 0.00 O ATOM 977 CB VAL A 59 -16.884 -11.614 -6.787 1.00 0.00 C ATOM 978 CG1 VAL A 59 -15.473 -11.866 -7.273 1.00 0.00 C ATOM 979 CG2 VAL A 59 -17.861 -12.209 -7.809 1.00 0.00 C ATOM 0 H VAL A 59 -15.559 -10.897 -4.689 1.00 0.00 H new ATOM 0 HA VAL A 59 -18.212 -11.898 -5.234 1.00 0.00 H new ATOM 0 HB VAL A 59 -17.031 -10.536 -6.714 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -15.362 -11.478 -8.285 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -14.766 -11.365 -6.612 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -15.274 -12.938 -7.272 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -17.632 -11.819 -8.801 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -17.765 -13.295 -7.815 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -18.881 -11.937 -7.538 1.00 0.00 H new ATOM 989 N SER A 60 -15.802 -14.116 -4.869 1.00 0.00 N ATOM 990 CA SER A 60 -15.585 -15.532 -4.624 1.00 0.00 C ATOM 991 C SER A 60 -16.260 -15.944 -3.303 1.00 0.00 C ATOM 992 O SER A 60 -16.741 -17.072 -3.172 1.00 0.00 O ATOM 993 CB SER A 60 -14.077 -15.793 -4.653 1.00 0.00 C ATOM 994 OG SER A 60 -13.771 -17.144 -4.387 1.00 0.00 O ATOM 0 H SER A 60 -14.960 -13.543 -4.814 1.00 0.00 H new ATOM 0 HA SER A 60 -16.043 -16.150 -5.396 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.680 -15.516 -5.630 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.585 -15.158 -3.917 1.00 0.00 H new ATOM 0 HG SER A 60 -12.800 -17.271 -4.416 1.00 0.00 H new ATOM 1000 N GLU A 61 -16.366 -15.025 -2.339 1.00 0.00 N ATOM 1001 CA GLU A 61 -16.983 -15.251 -1.036 1.00 0.00 C ATOM 1002 C GLU A 61 -18.491 -15.528 -1.152 1.00 0.00 C ATOM 1003 O GLU A 61 -19.084 -16.105 -0.246 1.00 0.00 O ATOM 1004 CB GLU A 61 -16.745 -14.010 -0.154 1.00 0.00 C ATOM 1005 CG GLU A 61 -16.749 -14.264 1.356 1.00 0.00 C ATOM 1006 CD GLU A 61 -15.443 -14.858 1.876 1.00 0.00 C ATOM 1007 OE1 GLU A 61 -15.028 -15.958 1.447 1.00 0.00 O ATOM 1008 OE2 GLU A 61 -14.807 -14.244 2.756 1.00 0.00 O ATOM 0 H GLU A 61 -16.013 -14.075 -2.451 1.00 0.00 H new ATOM 0 HA GLU A 61 -16.526 -16.134 -0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -15.786 -13.569 -0.428 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -17.513 -13.271 -0.383 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.944 -13.325 1.874 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.569 -14.939 1.601 1.00 0.00 H new ATOM 1015 N ARG A 62 -19.129 -15.142 -2.267 1.00 0.00 N ATOM 1016 CA ARG A 62 -20.562 -15.279 -2.563 1.00 0.00 C ATOM 1017 C ARG A 62 -21.421 -14.353 -1.689 1.00 0.00 C ATOM 1018 O ARG A 62 -22.627 -14.269 -1.913 1.00 0.00 O ATOM 1019 CB ARG A 62 -21.039 -16.745 -2.457 1.00 0.00 C ATOM 1020 CG ARG A 62 -22.379 -17.022 -3.175 1.00 0.00 C ATOM 1021 CD ARG A 62 -22.231 -17.941 -4.388 1.00 0.00 C ATOM 1022 NE ARG A 62 -21.324 -17.379 -5.400 1.00 0.00 N ATOM 1023 CZ ARG A 62 -21.583 -16.411 -6.285 1.00 0.00 C ATOM 1024 NH1 ARG A 62 -22.747 -15.764 -6.281 1.00 0.00 N ATOM 1025 NH2 ARG A 62 -20.649 -16.085 -7.164 1.00 0.00 N ATOM 0 H ARG A 62 -18.625 -14.698 -3.035 1.00 0.00 H new ATOM 0 HA ARG A 62 -20.694 -14.967 -3.599 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -20.272 -17.397 -2.876 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -21.141 -17.008 -1.404 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -23.076 -17.472 -2.469 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -22.815 -16.076 -3.495 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -21.855 -18.911 -4.064 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -23.211 -18.112 -4.835 1.00 0.00 H new ATOM 0 HE ARG A 62 -20.385 -17.775 -5.430 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -23.461 -16.004 -5.594 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -22.924 -15.029 -6.965 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -19.751 -16.570 -7.158 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -20.827 -15.349 -7.848 1.00 0.00 H new ATOM 1039 N LYS A 63 -20.857 -13.643 -0.710 1.00 0.00 N ATOM 1040 CA LYS A 63 -21.576 -12.741 0.176 1.00 0.00 C ATOM 1041 C LYS A 63 -21.068 -11.338 -0.128 1.00 0.00 C ATOM 1042 O LYS A 63 -19.893 -11.060 0.109 1.00 0.00 O ATOM 1043 CB LYS A 63 -21.460 -13.131 1.661 1.00 0.00 C ATOM 1044 CG LYS A 63 -20.111 -13.732 2.085 1.00 0.00 C ATOM 1045 CD LYS A 63 -19.903 -13.771 3.602 1.00 0.00 C ATOM 1046 CE LYS A 63 -20.877 -14.712 4.314 1.00 0.00 C ATOM 1047 NZ LYS A 63 -20.771 -14.564 5.778 1.00 0.00 N ATOM 0 H LYS A 63 -19.858 -13.685 -0.510 1.00 0.00 H new ATOM 0 HA LYS A 63 -22.649 -12.798 -0.009 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -21.649 -12.245 2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -22.246 -13.849 1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -20.035 -14.745 1.691 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -19.307 -13.152 1.632 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -18.881 -14.085 3.815 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -20.018 -12.765 4.005 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -21.897 -14.497 3.995 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -20.666 -15.743 4.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -21.440 -15.211 6.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -19.803 -14.792 6.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -20.996 -13.584 6.045 1.00 0.00 H new ATOM 1061 N PRO A 64 -21.905 -10.440 -0.674 1.00 0.00 N ATOM 1062 CA PRO A 64 -21.480 -9.086 -0.998 1.00 0.00 C ATOM 1063 C PRO A 64 -21.200 -8.198 0.225 1.00 0.00 C ATOM 1064 O PRO A 64 -20.754 -7.061 0.031 1.00 0.00 O ATOM 1065 CB PRO A 64 -22.619 -8.497 -1.838 1.00 0.00 C ATOM 1066 CG PRO A 64 -23.848 -9.227 -1.305 1.00 0.00 C ATOM 1067 CD PRO A 64 -23.305 -10.624 -1.024 1.00 0.00 C ATOM 0 HA PRO A 64 -20.526 -9.122 -1.524 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -22.701 -7.418 -1.707 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -22.471 -8.678 -2.903 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -24.241 -8.756 -0.404 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -24.658 -9.245 -2.035 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -23.852 -11.100 -0.211 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -23.409 -11.267 -1.898 1.00 0.00 H new ATOM 1075 N ALA A 65 -21.488 -8.656 1.448 1.00 0.00 N ATOM 1076 CA ALA A 65 -21.277 -7.925 2.685 1.00 0.00 C ATOM 1077 C ALA A 65 -20.656 -8.878 3.711 1.00 0.00 C ATOM 1078 O ALA A 65 -21.164 -9.988 3.900 1.00 0.00 O ATOM 1079 CB ALA A 65 -22.618 -7.351 3.153 1.00 0.00 C ATOM 0 H ALA A 65 -21.889 -9.581 1.600 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.592 -7.089 2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -22.473 -6.799 4.082 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -23.013 -6.680 2.390 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -23.324 -8.165 3.321 1.00 0.00 H new ATOM 1085 N LEU A 66 -19.561 -8.460 4.353 1.00 0.00 N ATOM 1086 CA LEU A 66 -18.798 -9.222 5.342 1.00 0.00 C ATOM 1087 C LEU A 66 -18.676 -8.445 6.650 1.00 0.00 C ATOM 1088 O LEU A 66 -18.726 -7.211 6.645 1.00 0.00 O ATOM 1089 CB LEU A 66 -17.349 -9.470 4.860 1.00 0.00 C ATOM 1090 CG LEU A 66 -17.108 -9.850 3.386 1.00 0.00 C ATOM 1091 CD1 LEU A 66 -15.629 -10.193 3.168 1.00 0.00 C ATOM 1092 CD2 LEU A 66 -17.919 -11.062 2.940 1.00 0.00 C ATOM 0 H LEU A 66 -19.164 -7.535 4.188 1.00 0.00 H new ATOM 0 HA LEU A 66 -19.333 -10.161 5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -16.774 -8.567 5.065 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -16.928 -10.263 5.478 1.00 0.00 H new ATOM 0 HG LEU A 66 -17.418 -8.984 2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -15.468 -10.460 2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -15.014 -9.329 3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -15.353 -11.034 3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -17.705 -11.278 1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -17.651 -11.924 3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -18.982 -10.851 3.057 1.00 0.00 H new ATOM 1104 N THR A 67 -18.455 -9.161 7.748 1.00 0.00 N ATOM 1105 CA THR A 67 -18.281 -8.606 9.082 1.00 0.00 C ATOM 1106 C THR A 67 -16.926 -7.903 9.166 1.00 0.00 C ATOM 1107 O THR A 67 -16.003 -8.270 8.439 1.00 0.00 O ATOM 1108 CB THR A 67 -18.290 -9.764 10.100 1.00 0.00 C ATOM 1109 OG1 THR A 67 -19.181 -10.786 9.690 1.00 0.00 O ATOM 1110 CG2 THR A 67 -18.643 -9.267 11.504 1.00 0.00 C ATOM 0 H THR A 67 -18.390 -10.179 7.731 1.00 0.00 H new ATOM 0 HA THR A 67 -19.082 -7.898 9.294 1.00 0.00 H new ATOM 0 HB THR A 67 -17.284 -10.181 10.138 1.00 0.00 H new ATOM 0 HG1 THR A 67 -20.064 -10.399 9.515 1.00 0.00 H new ATOM 0 HG21 THR A 67 -18.641 -10.107 12.199 1.00 0.00 H new ATOM 0 HG22 THR A 67 -17.907 -8.529 11.825 1.00 0.00 H new ATOM 0 HG23 THR A 67 -19.633 -8.810 11.490 1.00 0.00 H new ATOM 1118 N MET A 68 -16.765 -6.958 10.098 1.00 0.00 N ATOM 1119 CA MET A 68 -15.505 -6.248 10.293 1.00 0.00 C ATOM 1120 C MET A 68 -14.399 -7.256 10.667 1.00 0.00 C ATOM 1121 O MET A 68 -13.250 -7.133 10.247 1.00 0.00 O ATOM 1122 CB MET A 68 -15.694 -5.149 11.348 1.00 0.00 C ATOM 1123 CG MET A 68 -14.526 -4.160 11.362 1.00 0.00 C ATOM 1124 SD MET A 68 -14.100 -3.365 9.785 1.00 0.00 S ATOM 1125 CE MET A 68 -15.587 -2.370 9.497 1.00 0.00 C ATOM 0 H MET A 68 -17.506 -6.667 10.736 1.00 0.00 H new ATOM 0 HA MET A 68 -15.193 -5.757 9.371 1.00 0.00 H new ATOM 0 HB2 MET A 68 -16.621 -4.612 11.150 1.00 0.00 H new ATOM 0 HB3 MET A 68 -15.794 -5.605 12.333 1.00 0.00 H new ATOM 0 HG2 MET A 68 -14.754 -3.377 12.085 1.00 0.00 H new ATOM 0 HG3 MET A 68 -13.643 -4.684 11.727 1.00 0.00 H new ATOM 0 HE1 MET A 68 -15.481 -1.819 8.562 1.00 0.00 H new ATOM 0 HE2 MET A 68 -16.457 -3.024 9.436 1.00 0.00 H new ATOM 0 HE3 MET A 68 -15.719 -1.667 10.319 1.00 0.00 H new ATOM 1135 N GLU A 69 -14.744 -8.289 11.443 1.00 0.00 N ATOM 1136 CA GLU A 69 -13.829 -9.350 11.865 1.00 0.00 C ATOM 1137 C GLU A 69 -13.321 -10.115 10.634 1.00 0.00 C ATOM 1138 O GLU A 69 -12.119 -10.278 10.441 1.00 0.00 O ATOM 1139 CB GLU A 69 -14.591 -10.288 12.817 1.00 0.00 C ATOM 1140 CG GLU A 69 -13.783 -11.529 13.226 1.00 0.00 C ATOM 1141 CD GLU A 69 -14.641 -12.475 14.065 1.00 0.00 C ATOM 1142 OE1 GLU A 69 -15.351 -13.332 13.483 1.00 0.00 O ATOM 1143 OE2 GLU A 69 -14.628 -12.360 15.316 1.00 0.00 O ATOM 0 H GLU A 69 -15.691 -8.412 11.803 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.965 -8.931 12.381 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.872 -9.735 13.713 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -15.516 -10.608 12.337 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.425 -12.046 12.336 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.903 -11.226 13.794 1.00 0.00 H new ATOM 1150 N VAL A 70 -14.263 -10.568 9.806 1.00 0.00 N ATOM 1151 CA VAL A 70 -14.024 -11.329 8.592 1.00 0.00 C ATOM 1152 C VAL A 70 -13.179 -10.520 7.608 1.00 0.00 C ATOM 1153 O VAL A 70 -12.132 -10.998 7.175 1.00 0.00 O ATOM 1154 CB VAL A 70 -15.381 -11.771 8.000 1.00 0.00 C ATOM 1155 CG1 VAL A 70 -15.236 -12.478 6.648 1.00 0.00 C ATOM 1156 CG2 VAL A 70 -16.135 -12.712 8.957 1.00 0.00 C ATOM 0 H VAL A 70 -15.255 -10.404 9.976 1.00 0.00 H new ATOM 0 HA VAL A 70 -13.450 -12.228 8.816 1.00 0.00 H new ATOM 0 HB VAL A 70 -15.947 -10.850 7.856 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.221 -12.766 6.280 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -14.765 -11.803 5.933 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -14.619 -13.369 6.767 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.085 -13.003 8.508 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -15.533 -13.602 9.141 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -16.322 -12.199 9.900 1.00 0.00 H new ATOM 1166 N VAL A 71 -13.619 -9.313 7.232 1.00 0.00 N ATOM 1167 CA VAL A 71 -12.896 -8.474 6.279 1.00 0.00 C ATOM 1168 C VAL A 71 -11.468 -8.179 6.762 1.00 0.00 C ATOM 1169 O VAL A 71 -10.571 -8.065 5.938 1.00 0.00 O ATOM 1170 CB VAL A 71 -13.739 -7.229 5.913 1.00 0.00 C ATOM 1171 CG1 VAL A 71 -13.740 -6.157 6.999 1.00 0.00 C ATOM 1172 CG2 VAL A 71 -13.315 -6.595 4.585 1.00 0.00 C ATOM 0 H VAL A 71 -14.482 -8.896 7.580 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.755 -9.015 5.343 1.00 0.00 H new ATOM 0 HB VAL A 71 -14.754 -7.615 5.813 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.350 -5.313 6.677 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.152 -6.572 7.919 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.719 -5.819 7.178 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.941 -5.726 4.380 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.272 -6.284 4.647 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.430 -7.322 3.781 1.00 0.00 H new ATOM 1182 N CYS A 72 -11.240 -8.107 8.076 1.00 0.00 N ATOM 1183 CA CYS A 72 -9.926 -7.844 8.658 1.00 0.00 C ATOM 1184 C CYS A 72 -8.998 -9.007 8.330 1.00 0.00 C ATOM 1185 O CYS A 72 -7.975 -8.810 7.671 1.00 0.00 O ATOM 1186 CB CYS A 72 -10.037 -7.622 10.173 1.00 0.00 C ATOM 1187 SG CYS A 72 -8.397 -7.465 10.938 1.00 0.00 S ATOM 0 H CYS A 72 -11.974 -8.232 8.773 1.00 0.00 H new ATOM 0 HA CYS A 72 -9.511 -6.931 8.231 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -10.620 -6.722 10.369 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -10.574 -8.455 10.627 1.00 0.00 H new ATOM 0 HG CYS A 72 -8.531 -7.277 12.217 1.00 0.00 H new ATOM 1193 N ALA A 73 -9.358 -10.217 8.782 1.00 0.00 N ATOM 1194 CA ALA A 73 -8.562 -11.414 8.535 1.00 0.00 C ATOM 1195 C ALA A 73 -8.300 -11.569 7.034 1.00 0.00 C ATOM 1196 O ALA A 73 -7.182 -11.853 6.613 1.00 0.00 O ATOM 1197 CB ALA A 73 -9.281 -12.645 9.104 1.00 0.00 C ATOM 0 H ALA A 73 -10.205 -10.386 9.325 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.599 -11.320 9.037 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.681 -13.536 8.916 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.420 -12.521 10.178 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.253 -12.754 8.622 1.00 0.00 H new ATOM 1203 N ARG A 74 -9.341 -11.357 6.230 1.00 0.00 N ATOM 1204 CA ARG A 74 -9.316 -11.445 4.780 1.00 0.00 C ATOM 1205 C ARG A 74 -8.375 -10.428 4.137 1.00 0.00 C ATOM 1206 O ARG A 74 -7.733 -10.743 3.131 1.00 0.00 O ATOM 1207 CB ARG A 74 -10.758 -11.226 4.299 1.00 0.00 C ATOM 1208 CG ARG A 74 -11.688 -12.447 4.466 1.00 0.00 C ATOM 1209 CD ARG A 74 -11.456 -13.576 3.451 1.00 0.00 C ATOM 1210 NE ARG A 74 -10.232 -14.348 3.738 1.00 0.00 N ATOM 1211 CZ ARG A 74 -9.343 -14.823 2.861 1.00 0.00 C ATOM 1212 NH1 ARG A 74 -9.654 -14.873 1.570 1.00 0.00 N ATOM 1213 NH2 ARG A 74 -8.158 -15.248 3.287 1.00 0.00 N ATOM 0 H ARG A 74 -10.262 -11.109 6.592 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.934 -12.422 4.483 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -11.185 -10.385 4.845 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -10.736 -10.945 3.246 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -11.560 -12.849 5.471 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -12.722 -12.112 4.386 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -12.315 -14.247 3.456 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.388 -13.152 2.449 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.042 -14.542 4.721 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.568 -14.550 1.253 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.979 -15.235 0.896 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.930 -15.211 4.280 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.477 -15.611 2.620 1.00 0.00 H new ATOM 1227 N MET A 75 -8.299 -9.212 4.666 1.00 0.00 N ATOM 1228 CA MET A 75 -7.451 -8.174 4.123 1.00 0.00 C ATOM 1229 C MET A 75 -6.003 -8.441 4.477 1.00 0.00 C ATOM 1230 O MET A 75 -5.195 -8.462 3.555 1.00 0.00 O ATOM 1231 CB MET A 75 -7.952 -6.795 4.545 1.00 0.00 C ATOM 1232 CG MET A 75 -8.986 -6.225 3.555 1.00 0.00 C ATOM 1233 SD MET A 75 -10.309 -7.273 2.867 1.00 0.00 S ATOM 1234 CE MET A 75 -9.578 -7.789 1.294 1.00 0.00 C ATOM 0 H MET A 75 -8.830 -8.924 5.488 1.00 0.00 H new ATOM 0 HA MET A 75 -7.502 -8.185 3.034 1.00 0.00 H new ATOM 0 HB2 MET A 75 -8.399 -6.860 5.537 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.107 -6.110 4.620 1.00 0.00 H new ATOM 0 HG2 MET A 75 -9.471 -5.384 4.050 1.00 0.00 H new ATOM 0 HG3 MET A 75 -8.429 -5.820 2.710 1.00 0.00 H new ATOM 0 HE1 MET A 75 -10.210 -7.453 0.472 1.00 0.00 H new ATOM 0 HE2 MET A 75 -8.586 -7.349 1.192 1.00 0.00 H new ATOM 0 HE3 MET A 75 -9.498 -8.876 1.269 1.00 0.00 H new ATOM 1244 N VAL A 76 -5.642 -8.679 5.740 1.00 0.00 N ATOM 1245 CA VAL A 76 -4.239 -8.947 6.070 1.00 0.00 C ATOM 1246 C VAL A 76 -3.746 -10.189 5.298 1.00 0.00 C ATOM 1247 O VAL A 76 -2.647 -10.190 4.733 1.00 0.00 O ATOM 1248 CB VAL A 76 -4.049 -8.982 7.600 1.00 0.00 C ATOM 1249 CG1 VAL A 76 -4.744 -10.164 8.282 1.00 0.00 C ATOM 1250 CG2 VAL A 76 -2.563 -8.955 7.973 1.00 0.00 C ATOM 0 H VAL A 76 -6.283 -8.692 6.534 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.592 -8.136 5.735 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.533 -8.080 7.974 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.565 -10.121 9.356 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.816 -10.116 8.090 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.346 -11.098 7.885 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.460 -8.981 9.058 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.063 -9.822 7.540 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.107 -8.043 7.587 1.00 0.00 H new ATOM 1260 N ASP A 77 -4.607 -11.204 5.159 1.00 0.00 N ATOM 1261 CA ASP A 77 -4.315 -12.448 4.450 1.00 0.00 C ATOM 1262 C ASP A 77 -4.062 -12.223 2.957 1.00 0.00 C ATOM 1263 O ASP A 77 -3.507 -13.109 2.300 1.00 0.00 O ATOM 1264 CB ASP A 77 -5.535 -13.393 4.493 1.00 0.00 C ATOM 1265 CG ASP A 77 -5.612 -14.378 5.656 1.00 0.00 C ATOM 1266 OD1 ASP A 77 -4.740 -14.378 6.551 1.00 0.00 O ATOM 1267 OD2 ASP A 77 -6.521 -15.247 5.595 1.00 0.00 O ATOM 0 H ASP A 77 -5.550 -11.179 5.548 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.435 -12.860 4.943 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.437 -12.781 4.508 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.553 -13.964 3.565 1.00 0.00 H new ATOM 1272 N SER A 78 -4.506 -11.094 2.391 1.00 0.00 N ATOM 1273 CA SER A 78 -4.358 -10.800 0.981 1.00 0.00 C ATOM 1274 C SER A 78 -2.904 -10.604 0.586 1.00 0.00 C ATOM 1275 O SER A 78 -2.568 -10.773 -0.588 1.00 0.00 O ATOM 1276 CB SER A 78 -5.209 -9.563 0.644 1.00 0.00 C ATOM 1277 OG SER A 78 -6.589 -9.886 0.780 1.00 0.00 O ATOM 0 H SER A 78 -4.981 -10.359 2.914 1.00 0.00 H new ATOM 0 HA SER A 78 -4.711 -11.654 0.402 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.950 -8.738 1.308 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.001 -9.231 -0.373 1.00 0.00 H new ATOM 0 HG SER A 78 -6.770 -10.168 1.701 1.00 0.00 H new ATOM 1283 N CYS A 79 -2.041 -10.262 1.544 1.00 0.00 N ATOM 1284 CA CYS A 79 -0.634 -10.015 1.301 1.00 0.00 C ATOM 1285 C CYS A 79 0.186 -10.227 2.571 1.00 0.00 C ATOM 1286 O CYS A 79 0.793 -9.319 3.132 1.00 0.00 O ATOM 1287 CB CYS A 79 -0.502 -8.610 0.729 1.00 0.00 C ATOM 1288 SG CYS A 79 -0.619 -8.522 -1.078 1.00 0.00 S ATOM 0 H CYS A 79 -2.311 -10.149 2.521 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.232 -10.725 0.578 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.279 -7.980 1.162 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.456 -8.193 1.039 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.475 -9.404 -1.501 1.00 0.00 H new ATOM 1294 N GLN A 80 0.252 -11.471 3.017 1.00 0.00 N ATOM 1295 CA GLN A 80 1.035 -11.879 4.184 1.00 0.00 C ATOM 1296 C GLN A 80 2.516 -12.052 3.762 1.00 0.00 C ATOM 1297 O GLN A 80 3.243 -12.898 4.296 1.00 0.00 O ATOM 1298 CB GLN A 80 0.415 -13.104 4.883 1.00 0.00 C ATOM 1299 CG GLN A 80 -0.181 -14.212 4.004 1.00 0.00 C ATOM 1300 CD GLN A 80 0.802 -14.759 2.983 1.00 0.00 C ATOM 1301 OE1 GLN A 80 0.816 -14.322 1.837 1.00 0.00 O ATOM 1302 NE2 GLN A 80 1.641 -15.699 3.371 1.00 0.00 N ATOM 0 H GLN A 80 -0.245 -12.244 2.573 1.00 0.00 H new ATOM 0 HA GLN A 80 1.012 -11.101 4.947 1.00 0.00 H new ATOM 0 HB2 GLN A 80 1.184 -13.554 5.511 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.371 -12.746 5.548 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -0.525 -15.027 4.641 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -1.056 -13.823 3.484 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.610 -16.046 4.330 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.321 -16.079 2.713 1.00 0.00 H new ATOM 1311 N THR A 81 2.941 -11.289 2.749 1.00 0.00 N ATOM 1312 CA THR A 81 4.259 -11.257 2.163 1.00 0.00 C ATOM 1313 C THR A 81 5.206 -10.755 3.238 1.00 0.00 C ATOM 1314 O THR A 81 6.143 -11.469 3.594 1.00 0.00 O ATOM 1315 CB THR A 81 4.226 -10.422 0.852 1.00 0.00 C ATOM 1316 OG1 THR A 81 5.516 -10.246 0.306 1.00 0.00 O ATOM 1317 CG2 THR A 81 3.588 -9.028 0.931 1.00 0.00 C ATOM 0 H THR A 81 2.311 -10.630 2.291 1.00 0.00 H new ATOM 0 HA THR A 81 4.619 -12.237 1.849 1.00 0.00 H new ATOM 0 HB THR A 81 3.582 -11.036 0.222 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.454 -9.718 -0.517 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.629 -8.553 -0.049 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.549 -9.121 1.246 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.132 -8.419 1.653 1.00 0.00 H new ATOM 1325 N ALA A 82 4.919 -9.561 3.767 1.00 0.00 N ATOM 1326 CA ALA A 82 5.652 -8.847 4.799 1.00 0.00 C ATOM 1327 C ALA A 82 4.968 -7.505 5.070 1.00 0.00 C ATOM 1328 O ALA A 82 5.635 -6.468 5.102 1.00 0.00 O ATOM 1329 CB ALA A 82 7.091 -8.631 4.316 1.00 0.00 C ATOM 0 H ALA A 82 4.103 -9.034 3.455 1.00 0.00 H new ATOM 0 HA ALA A 82 5.666 -9.422 5.725 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.655 -8.096 5.080 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.561 -9.597 4.128 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.082 -8.047 3.396 1.00 0.00 H new ATOM 1335 N LEU A 83 3.637 -7.485 5.190 1.00 0.00 N ATOM 1336 CA LEU A 83 2.923 -6.238 5.424 1.00 0.00 C ATOM 1337 C LEU A 83 2.517 -6.103 6.865 1.00 0.00 C ATOM 1338 O LEU A 83 2.055 -7.055 7.501 1.00 0.00 O ATOM 1339 CB LEU A 83 1.643 -6.132 4.603 1.00 0.00 C ATOM 1340 CG LEU A 83 1.844 -6.331 3.097 1.00 0.00 C ATOM 1341 CD1 LEU A 83 0.487 -6.179 2.435 1.00 0.00 C ATOM 1342 CD2 LEU A 83 2.752 -5.260 2.508 1.00 0.00 C ATOM 0 H LEU A 83 3.042 -8.312 5.129 1.00 0.00 H new ATOM 0 HA LEU A 83 3.620 -5.453 5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.931 -6.874 4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.196 -5.152 4.772 1.00 0.00 H new ATOM 0 HG LEU A 83 2.294 -7.310 2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.590 -6.315 1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.197 -6.929 2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.092 -5.184 2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.872 -5.433 1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.308 -4.278 2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.727 -5.302 2.994 1.00 0.00 H new ATOM 1354 N SER A 84 2.687 -4.889 7.350 1.00 0.00 N ATOM 1355 CA SER A 84 2.336 -4.527 8.699 1.00 0.00 C ATOM 1356 C SER A 84 0.818 -4.323 8.730 1.00 0.00 C ATOM 1357 O SER A 84 0.232 -3.979 7.693 1.00 0.00 O ATOM 1358 CB SER A 84 3.081 -3.242 9.055 1.00 0.00 C ATOM 1359 OG SER A 84 4.479 -3.456 8.969 1.00 0.00 O ATOM 0 H SER A 84 3.078 -4.120 6.807 1.00 0.00 H new ATOM 0 HA SER A 84 2.611 -5.294 9.423 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.785 -2.440 8.379 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.814 -2.924 10.063 1.00 0.00 H new ATOM 0 HG SER A 84 4.951 -2.628 9.197 1.00 0.00 H new ATOM 1365 N PRO A 85 0.167 -4.479 9.892 1.00 0.00 N ATOM 1366 CA PRO A 85 -1.273 -4.304 9.982 1.00 0.00 C ATOM 1367 C PRO A 85 -1.660 -2.857 9.697 1.00 0.00 C ATOM 1368 O PRO A 85 -2.709 -2.609 9.112 1.00 0.00 O ATOM 1369 CB PRO A 85 -1.654 -4.745 11.396 1.00 0.00 C ATOM 1370 CG PRO A 85 -0.366 -4.556 12.200 1.00 0.00 C ATOM 1371 CD PRO A 85 0.730 -4.859 11.179 1.00 0.00 C ATOM 0 HA PRO A 85 -1.808 -4.897 9.240 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.468 -4.141 11.797 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -1.988 -5.782 11.415 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.281 -3.543 12.593 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.320 -5.233 13.053 1.00 0.00 H new ATOM 0 HD2 PRO A 85 1.637 -4.294 11.395 1.00 0.00 H new ATOM 0 HD3 PRO A 85 1.001 -5.915 11.194 1.00 0.00 H new ATOM 1379 N GLY A 86 -0.806 -1.907 10.083 1.00 0.00 N ATOM 1380 CA GLY A 86 -1.041 -0.493 9.889 1.00 0.00 C ATOM 1381 C GLY A 86 -1.116 -0.111 8.418 1.00 0.00 C ATOM 1382 O GLY A 86 -2.061 0.580 8.053 1.00 0.00 O ATOM 0 H GLY A 86 0.080 -2.112 10.546 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.972 -0.212 10.382 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -0.243 0.074 10.368 1.00 0.00 H new ATOM 1386 N GLU A 87 -0.165 -0.547 7.580 1.00 0.00 N ATOM 1387 CA GLU A 87 -0.171 -0.198 6.160 1.00 0.00 C ATOM 1388 C GLU A 87 -1.399 -0.795 5.483 1.00 0.00 C ATOM 1389 O GLU A 87 -2.115 -0.057 4.809 1.00 0.00 O ATOM 1390 CB GLU A 87 1.128 -0.603 5.456 1.00 0.00 C ATOM 1391 CG GLU A 87 2.346 0.122 6.047 1.00 0.00 C ATOM 1392 CD GLU A 87 3.625 0.041 5.217 1.00 0.00 C ATOM 1393 OE1 GLU A 87 3.615 -0.469 4.071 1.00 0.00 O ATOM 1394 OE2 GLU A 87 4.691 0.485 5.702 1.00 0.00 O ATOM 0 H GLU A 87 0.615 -1.140 7.864 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.227 0.887 6.078 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.268 -1.680 5.544 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.051 -0.377 4.392 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.090 1.172 6.186 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.548 -0.290 7.035 1.00 0.00 H new ATOM 1401 N MET A 88 -1.662 -2.099 5.669 1.00 0.00 N ATOM 1402 CA MET A 88 -2.842 -2.741 5.086 1.00 0.00 C ATOM 1403 C MET A 88 -4.083 -1.919 5.453 1.00 0.00 C ATOM 1404 O MET A 88 -4.784 -1.457 4.557 1.00 0.00 O ATOM 1405 CB MET A 88 -2.988 -4.200 5.569 1.00 0.00 C ATOM 1406 CG MET A 88 -4.121 -4.985 4.860 1.00 0.00 C ATOM 1407 SD MET A 88 -4.007 -5.098 3.060 1.00 0.00 S ATOM 1408 CE MET A 88 -2.733 -6.365 2.970 1.00 0.00 C ATOM 0 H MET A 88 -1.072 -2.724 6.218 1.00 0.00 H new ATOM 0 HA MET A 88 -2.730 -2.775 4.002 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.044 -4.721 5.411 1.00 0.00 H new ATOM 0 HB3 MET A 88 -3.176 -4.200 6.643 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.143 -5.996 5.266 1.00 0.00 H new ATOM 0 HG3 MET A 88 -5.073 -4.518 5.115 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.144 -6.225 2.063 1.00 0.00 H new ATOM 0 HE2 MET A 88 -2.082 -6.289 3.841 1.00 0.00 H new ATOM 0 HE3 MET A 88 -3.200 -7.350 2.952 1.00 0.00 H new ATOM 1418 N GLU A 89 -4.306 -1.670 6.748 1.00 0.00 N ATOM 1419 CA GLU A 89 -5.437 -0.932 7.298 1.00 0.00 C ATOM 1420 C GLU A 89 -5.563 0.461 6.698 1.00 0.00 C ATOM 1421 O GLU A 89 -6.663 0.871 6.322 1.00 0.00 O ATOM 1422 CB GLU A 89 -5.258 -0.863 8.815 1.00 0.00 C ATOM 1423 CG GLU A 89 -6.493 -0.415 9.598 1.00 0.00 C ATOM 1424 CD GLU A 89 -7.574 -1.494 9.609 1.00 0.00 C ATOM 1425 OE1 GLU A 89 -7.355 -2.547 10.256 1.00 0.00 O ATOM 1426 OE2 GLU A 89 -8.641 -1.276 8.993 1.00 0.00 O ATOM 0 H GLU A 89 -3.667 -1.996 7.473 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.362 -1.451 7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.957 -1.847 9.174 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -4.439 -0.179 9.037 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.208 -0.175 10.622 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.893 0.497 9.156 1.00 0.00 H new ATOM 1433 N LYS A 90 -4.453 1.206 6.622 1.00 0.00 N ATOM 1434 CA LYS A 90 -4.453 2.550 6.051 1.00 0.00 C ATOM 1435 C LYS A 90 -4.946 2.472 4.612 1.00 0.00 C ATOM 1436 O LYS A 90 -5.661 3.368 4.177 1.00 0.00 O ATOM 1437 CB LYS A 90 -3.052 3.179 6.101 1.00 0.00 C ATOM 1438 CG LYS A 90 -2.597 3.515 7.530 1.00 0.00 C ATOM 1439 CD LYS A 90 -2.746 4.990 7.941 1.00 0.00 C ATOM 1440 CE LYS A 90 -4.190 5.515 8.033 1.00 0.00 C ATOM 1441 NZ LYS A 90 -4.250 6.853 8.672 1.00 0.00 N ATOM 0 H LYS A 90 -3.540 0.894 6.952 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.116 3.184 6.639 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.335 2.493 5.649 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.046 4.088 5.500 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.167 2.902 8.228 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.550 3.230 7.636 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.266 5.128 8.910 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.201 5.604 7.225 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.621 5.570 7.033 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.797 4.812 8.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.239 7.173 8.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.862 6.795 9.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.692 7.530 8.114 1.00 0.00 H new ATOM 1455 N HIS A 91 -4.612 1.406 3.885 1.00 0.00 N ATOM 1456 CA HIS A 91 -5.039 1.247 2.513 1.00 0.00 C ATOM 1457 C HIS A 91 -6.535 0.917 2.443 1.00 0.00 C ATOM 1458 O HIS A 91 -7.190 1.270 1.457 1.00 0.00 O ATOM 1459 CB HIS A 91 -4.180 0.174 1.832 1.00 0.00 C ATOM 1460 CG HIS A 91 -3.976 0.445 0.369 1.00 0.00 C ATOM 1461 ND1 HIS A 91 -4.925 0.887 -0.523 1.00 0.00 N ATOM 1462 CD2 HIS A 91 -2.791 0.332 -0.305 1.00 0.00 C ATOM 1463 CE1 HIS A 91 -4.324 1.036 -1.710 1.00 0.00 C ATOM 1464 NE2 HIS A 91 -3.015 0.738 -1.626 1.00 0.00 N ATOM 0 H HIS A 91 -4.041 0.638 4.237 1.00 0.00 H new ATOM 0 HA HIS A 91 -4.899 2.186 1.977 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -3.210 0.121 2.327 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -4.655 -0.799 1.955 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -5.908 1.068 -0.318 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.853 -0.009 0.107 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -4.823 1.353 -2.614 1.00 0.00 H new ATOM 1472 N LEU A 92 -7.083 0.214 3.441 1.00 0.00 N ATOM 1473 CA LEU A 92 -8.496 -0.160 3.504 1.00 0.00 C ATOM 1474 C LEU A 92 -9.328 1.096 3.671 1.00 0.00 C ATOM 1475 O LEU A 92 -10.240 1.338 2.876 1.00 0.00 O ATOM 1476 CB LEU A 92 -8.798 -1.141 4.660 1.00 0.00 C ATOM 1477 CG LEU A 92 -7.925 -2.402 4.685 1.00 0.00 C ATOM 1478 CD1 LEU A 92 -8.338 -3.370 5.789 1.00 0.00 C ATOM 1479 CD2 LEU A 92 -7.862 -3.087 3.317 1.00 0.00 C ATOM 0 H LEU A 92 -6.544 -0.116 4.242 1.00 0.00 H new ATOM 0 HA LEU A 92 -8.748 -0.672 2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.675 -0.613 5.606 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -9.844 -1.442 4.597 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.913 -2.073 4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -7.690 -4.246 5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.247 -2.878 6.757 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.372 -3.679 5.634 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.233 -3.975 3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.867 -3.376 3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.442 -2.398 2.584 1.00 0.00 H new ATOM 1491 N VAL A 93 -9.005 1.883 4.700 1.00 0.00 N ATOM 1492 CA VAL A 93 -9.709 3.116 4.997 1.00 0.00 C ATOM 1493 C VAL A 93 -9.520 4.100 3.843 1.00 0.00 C ATOM 1494 O VAL A 93 -10.500 4.685 3.402 1.00 0.00 O ATOM 1495 CB VAL A 93 -9.302 3.623 6.392 1.00 0.00 C ATOM 1496 CG1 VAL A 93 -7.858 4.116 6.508 1.00 0.00 C ATOM 1497 CG2 VAL A 93 -10.261 4.696 6.889 1.00 0.00 C ATOM 0 H VAL A 93 -8.245 1.676 5.348 1.00 0.00 H new ATOM 0 HA VAL A 93 -10.786 2.964 5.063 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.364 2.741 7.029 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.669 4.452 7.528 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.175 3.303 6.261 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.700 4.945 5.818 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -9.948 5.035 7.877 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -10.254 5.539 6.197 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.268 4.284 6.949 1.00 0.00 H new ATOM 1507 N LEU A 94 -8.312 4.215 3.272 1.00 0.00 N ATOM 1508 CA LEU A 94 -8.010 5.104 2.150 1.00 0.00 C ATOM 1509 C LEU A 94 -9.003 4.889 1.010 1.00 0.00 C ATOM 1510 O LEU A 94 -9.540 5.837 0.440 1.00 0.00 O ATOM 1511 CB LEU A 94 -6.589 4.794 1.634 1.00 0.00 C ATOM 1512 CG LEU A 94 -6.248 5.432 0.280 1.00 0.00 C ATOM 1513 CD1 LEU A 94 -6.290 6.963 0.334 1.00 0.00 C ATOM 1514 CD2 LEU A 94 -4.843 4.988 -0.149 1.00 0.00 C ATOM 0 H LEU A 94 -7.503 3.679 3.587 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.080 6.137 2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.865 5.135 2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.474 3.713 1.551 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.998 5.101 -0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.042 7.369 -0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.290 7.290 0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.568 7.321 1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.597 5.439 -1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.117 5.307 0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.817 3.902 -0.240 1.00 0.00 H new ATOM 1526 N LEU A 95 -9.190 3.625 0.632 1.00 0.00 N ATOM 1527 CA LEU A 95 -10.085 3.241 -0.445 1.00 0.00 C ATOM 1528 C LEU A 95 -11.506 3.680 -0.149 1.00 0.00 C ATOM 1529 O LEU A 95 -12.128 4.316 -0.995 1.00 0.00 O ATOM 1530 CB LEU A 95 -9.970 1.725 -0.623 1.00 0.00 C ATOM 1531 CG LEU A 95 -10.454 1.130 -1.957 1.00 0.00 C ATOM 1532 CD1 LEU A 95 -9.829 1.784 -3.192 1.00 0.00 C ATOM 1533 CD2 LEU A 95 -10.049 -0.351 -1.979 1.00 0.00 C ATOM 0 H LEU A 95 -8.717 2.836 1.072 1.00 0.00 H new ATOM 0 HA LEU A 95 -9.807 3.736 -1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.924 1.449 -0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.530 1.248 0.181 1.00 0.00 H new ATOM 0 HG LEU A 95 -11.530 1.294 -2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -10.220 1.310 -4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -10.075 2.846 -3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.746 1.663 -3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.378 -0.804 -2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.965 -0.433 -1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -10.516 -0.868 -1.141 1.00 0.00 H new ATOM 1545 N ALA A 96 -11.995 3.349 1.044 1.00 0.00 N ATOM 1546 CA ALA A 96 -13.345 3.718 1.451 1.00 0.00 C ATOM 1547 C ALA A 96 -13.555 5.233 1.500 1.00 0.00 C ATOM 1548 O ALA A 96 -14.581 5.731 1.041 1.00 0.00 O ATOM 1549 CB ALA A 96 -13.658 3.122 2.826 1.00 0.00 C ATOM 0 H ALA A 96 -11.473 2.824 1.746 1.00 0.00 H new ATOM 0 HA ALA A 96 -14.022 3.316 0.697 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -14.669 3.403 3.123 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.582 2.036 2.777 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -12.946 3.503 3.558 1.00 0.00 H new ATOM 1555 N GLU A 97 -12.572 5.968 2.011 1.00 0.00 N ATOM 1556 CA GLU A 97 -12.627 7.408 2.172 1.00 0.00 C ATOM 1557 C GLU A 97 -12.723 8.154 0.845 1.00 0.00 C ATOM 1558 O GLU A 97 -13.270 9.260 0.808 1.00 0.00 O ATOM 1559 CB GLU A 97 -11.384 7.831 2.978 1.00 0.00 C ATOM 1560 CG GLU A 97 -11.474 9.205 3.656 1.00 0.00 C ATOM 1561 CD GLU A 97 -12.669 9.289 4.611 1.00 0.00 C ATOM 1562 OE1 GLU A 97 -12.532 8.895 5.788 1.00 0.00 O ATOM 1563 OE2 GLU A 97 -13.756 9.719 4.165 1.00 0.00 O ATOM 0 H GLU A 97 -11.693 5.562 2.332 1.00 0.00 H new ATOM 0 HA GLU A 97 -13.539 7.676 2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.195 7.079 3.744 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.522 7.830 2.311 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.554 9.400 4.207 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.561 9.981 2.895 1.00 0.00 H new ATOM 1570 N LEU A 98 -12.236 7.567 -0.253 1.00 0.00 N ATOM 1571 CA LEU A 98 -12.254 8.195 -1.562 1.00 0.00 C ATOM 1572 C LEU A 98 -13.303 7.574 -2.466 1.00 0.00 C ATOM 1573 O LEU A 98 -13.582 8.149 -3.524 1.00 0.00 O ATOM 1574 CB LEU A 98 -10.853 8.112 -2.187 1.00 0.00 C ATOM 1575 CG LEU A 98 -9.742 8.738 -1.317 1.00 0.00 C ATOM 1576 CD1 LEU A 98 -8.396 8.505 -2.003 1.00 0.00 C ATOM 1577 CD2 LEU A 98 -9.966 10.231 -1.049 1.00 0.00 C ATOM 0 H LEU A 98 -11.817 6.637 -0.250 1.00 0.00 H new ATOM 0 HA LEU A 98 -12.527 9.244 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.610 7.066 -2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.868 8.612 -3.155 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.759 8.253 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.600 8.942 -1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.223 7.434 -2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.404 8.973 -2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.154 10.616 -0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.991 10.771 -1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.913 10.369 -0.528 1.00 0.00 H new ATOM 1589 N LEU A 99 -13.882 6.434 -2.073 1.00 0.00 N ATOM 1590 CA LEU A 99 -14.903 5.697 -2.815 1.00 0.00 C ATOM 1591 C LEU A 99 -16.095 5.368 -1.888 1.00 0.00 C ATOM 1592 O LEU A 99 -16.432 4.187 -1.749 1.00 0.00 O ATOM 1593 CB LEU A 99 -14.295 4.409 -3.424 1.00 0.00 C ATOM 1594 CG LEU A 99 -12.992 4.535 -4.240 1.00 0.00 C ATOM 1595 CD1 LEU A 99 -12.612 3.142 -4.749 1.00 0.00 C ATOM 1596 CD2 LEU A 99 -13.097 5.491 -5.432 1.00 0.00 C ATOM 0 H LEU A 99 -13.639 5.983 -1.191 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.270 6.316 -3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -14.111 3.709 -2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -15.049 3.957 -4.068 1.00 0.00 H new ATOM 0 HG LEU A 99 -12.234 4.953 -3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -11.692 3.205 -5.330 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -12.461 2.474 -3.901 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.413 2.754 -5.379 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -12.142 5.526 -5.956 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -13.872 5.139 -6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -13.353 6.489 -5.076 1.00 0.00 H new ATOM 1608 N PRO A 100 -16.780 6.358 -1.283 1.00 0.00 N ATOM 1609 CA PRO A 100 -17.906 6.101 -0.380 1.00 0.00 C ATOM 1610 C PRO A 100 -19.132 5.525 -1.100 1.00 0.00 C ATOM 1611 O PRO A 100 -19.972 4.861 -0.488 1.00 0.00 O ATOM 1612 CB PRO A 100 -18.202 7.447 0.281 1.00 0.00 C ATOM 1613 CG PRO A 100 -17.769 8.459 -0.779 1.00 0.00 C ATOM 1614 CD PRO A 100 -16.523 7.790 -1.357 1.00 0.00 C ATOM 0 HA PRO A 100 -17.653 5.336 0.354 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -19.258 7.550 0.529 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -17.643 7.572 1.209 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -18.538 8.614 -1.535 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -17.546 9.434 -0.347 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -16.350 8.105 -2.386 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -15.633 8.059 -0.788 1.00 0.00 H new ATOM 1622 N ASP A 101 -19.246 5.737 -2.417 1.00 0.00 N ATOM 1623 CA ASP A 101 -20.368 5.200 -3.188 1.00 0.00 C ATOM 1624 C ASP A 101 -20.146 3.702 -3.436 1.00 0.00 C ATOM 1625 O ASP A 101 -21.042 3.021 -3.942 1.00 0.00 O ATOM 1626 CB ASP A 101 -20.547 5.906 -4.541 1.00 0.00 C ATOM 1627 CG ASP A 101 -20.690 7.417 -4.444 1.00 0.00 C ATOM 1628 OD1 ASP A 101 -21.579 7.889 -3.695 1.00 0.00 O ATOM 1629 OD2 ASP A 101 -19.882 8.107 -5.108 1.00 0.00 O ATOM 0 H ASP A 101 -18.576 6.275 -2.967 1.00 0.00 H new ATOM 0 HA ASP A 101 -21.271 5.370 -2.602 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -19.691 5.674 -5.175 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -21.430 5.500 -5.035 1.00 0.00 H new ATOM 1634 N TRP A 102 -18.956 3.186 -3.099 1.00 0.00 N ATOM 1635 CA TRP A 102 -18.537 1.810 -3.278 1.00 0.00 C ATOM 1636 C TRP A 102 -18.491 1.061 -1.942 1.00 0.00 C ATOM 1637 O TRP A 102 -19.200 0.064 -1.805 1.00 0.00 O ATOM 1638 CB TRP A 102 -17.188 1.836 -4.022 1.00 0.00 C ATOM 1639 CG TRP A 102 -16.798 0.617 -4.791 1.00 0.00 C ATOM 1640 CD1 TRP A 102 -17.582 -0.063 -5.656 1.00 0.00 C ATOM 1641 CD2 TRP A 102 -15.522 -0.085 -4.773 1.00 0.00 C ATOM 1642 NE1 TRP A 102 -16.886 -1.140 -6.162 1.00 0.00 N ATOM 1643 CE2 TRP A 102 -15.611 -1.217 -5.638 1.00 0.00 C ATOM 1644 CE3 TRP A 102 -14.328 0.079 -4.041 1.00 0.00 C ATOM 1645 CZ2 TRP A 102 -14.568 -2.152 -5.752 1.00 0.00 C ATOM 1646 CZ3 TRP A 102 -13.280 -0.851 -4.156 1.00 0.00 C ATOM 1647 CH2 TRP A 102 -13.401 -1.979 -4.987 1.00 0.00 C ATOM 0 H TRP A 102 -18.228 3.758 -2.671 1.00 0.00 H new ATOM 0 HA TRP A 102 -19.257 1.252 -3.877 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -17.202 2.679 -4.713 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -16.405 2.036 -3.291 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -18.598 0.197 -5.912 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -17.267 -1.800 -6.841 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -14.217 0.929 -3.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -14.662 -2.995 -6.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -12.368 -0.697 -3.598 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -12.604 -2.706 -5.037 1.00 0.00 H new ATOM 1658 N LEU A 103 -17.633 1.472 -0.997 1.00 0.00 N ATOM 1659 CA LEU A 103 -17.511 0.830 0.316 1.00 0.00 C ATOM 1660 C LEU A 103 -18.493 1.517 1.263 1.00 0.00 C ATOM 1661 O LEU A 103 -18.413 2.733 1.450 1.00 0.00 O ATOM 1662 CB LEU A 103 -16.073 0.912 0.871 1.00 0.00 C ATOM 1663 CG LEU A 103 -15.063 -0.009 0.146 1.00 0.00 C ATOM 1664 CD1 LEU A 103 -13.616 0.511 0.095 1.00 0.00 C ATOM 1665 CD2 LEU A 103 -15.076 -1.390 0.820 1.00 0.00 C ATOM 0 H LEU A 103 -17.002 2.263 -1.125 1.00 0.00 H new ATOM 0 HA LEU A 103 -17.743 -0.231 0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -15.725 1.943 0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -16.088 0.654 1.930 1.00 0.00 H new ATOM 0 HG LEU A 103 -15.395 -0.050 -0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -12.990 -0.207 -0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -13.591 1.467 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -13.240 0.642 1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -14.367 -2.047 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -14.793 -1.286 1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -16.077 -1.817 0.755 1.00 0.00 H new ATOM 1677 N SER A 104 -19.358 0.738 1.910 1.00 0.00 N ATOM 1678 CA SER A 104 -20.381 1.227 2.833 1.00 0.00 C ATOM 1679 C SER A 104 -20.343 0.482 4.166 1.00 0.00 C ATOM 1680 O SER A 104 -20.104 -0.725 4.184 1.00 0.00 O ATOM 1681 CB SER A 104 -21.734 1.002 2.161 1.00 0.00 C ATOM 1682 OG SER A 104 -21.800 1.678 0.920 1.00 0.00 O ATOM 0 H SER A 104 -19.367 -0.276 1.804 1.00 0.00 H new ATOM 0 HA SER A 104 -20.206 2.281 3.049 1.00 0.00 H new ATOM 0 HB2 SER A 104 -21.895 -0.065 2.007 1.00 0.00 H new ATOM 0 HB3 SER A 104 -22.532 1.354 2.814 1.00 0.00 H new ATOM 0 HG SER A 104 -22.674 1.519 0.507 1.00 0.00 H new ATOM 1688 N LEU A 105 -20.638 1.161 5.279 1.00 0.00 N ATOM 1689 CA LEU A 105 -20.637 0.582 6.624 1.00 0.00 C ATOM 1690 C LEU A 105 -22.060 0.308 7.085 1.00 0.00 C ATOM 1691 O LEU A 105 -22.937 1.161 6.948 1.00 0.00 O ATOM 1692 CB LEU A 105 -19.959 1.551 7.600 1.00 0.00 C ATOM 1693 CG LEU A 105 -18.429 1.463 7.483 1.00 0.00 C ATOM 1694 CD1 LEU A 105 -17.801 2.816 7.807 1.00 0.00 C ATOM 1695 CD2 LEU A 105 -17.897 0.384 8.433 1.00 0.00 C ATOM 0 H LEU A 105 -20.889 2.149 5.269 1.00 0.00 H new ATOM 0 HA LEU A 105 -20.088 -0.359 6.601 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -20.286 2.570 7.393 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -20.264 1.319 8.620 1.00 0.00 H new ATOM 0 HG LEU A 105 -18.162 1.193 6.461 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -16.717 2.744 7.721 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -18.171 3.566 7.108 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -18.066 3.106 8.824 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -16.812 0.326 8.346 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -18.166 0.637 9.458 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -18.334 -0.579 8.171 1.00 0.00 H new ATOM 1707 N HIS A 106 -22.294 -0.870 7.660 1.00 0.00 N ATOM 1708 CA HIS A 106 -23.589 -1.312 8.160 1.00 0.00 C ATOM 1709 C HIS A 106 -23.379 -1.821 9.583 1.00 0.00 C ATOM 1710 O HIS A 106 -22.845 -2.914 9.776 1.00 0.00 O ATOM 1711 CB HIS A 106 -24.174 -2.408 7.246 1.00 0.00 C ATOM 1712 CG HIS A 106 -24.606 -1.929 5.878 1.00 0.00 C ATOM 1713 ND1 HIS A 106 -25.877 -2.020 5.350 1.00 0.00 N ATOM 1714 CD2 HIS A 106 -23.807 -1.369 4.915 1.00 0.00 C ATOM 1715 CE1 HIS A 106 -25.848 -1.508 4.111 1.00 0.00 C ATOM 1716 NE2 HIS A 106 -24.610 -1.083 3.808 1.00 0.00 N ATOM 0 H HIS A 106 -21.560 -1.565 7.794 1.00 0.00 H new ATOM 0 HA HIS A 106 -24.306 -0.491 8.164 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -23.429 -3.194 7.122 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -25.032 -2.858 7.745 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -22.746 -1.182 4.997 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -26.700 -1.446 3.450 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -24.314 -0.638 2.939 1.00 0.00 H new ATOM 1724 N ARG A 107 -23.739 -1.026 10.598 1.00 0.00 N ATOM 1725 CA ARG A 107 -23.578 -1.443 11.991 1.00 0.00 C ATOM 1726 C ARG A 107 -24.907 -2.009 12.464 1.00 0.00 C ATOM 1727 O ARG A 107 -25.955 -1.365 12.344 1.00 0.00 O ATOM 1728 CB ARG A 107 -23.009 -0.310 12.857 1.00 0.00 C ATOM 1729 CG ARG A 107 -22.464 -0.854 14.190 1.00 0.00 C ATOM 1730 CD ARG A 107 -23.526 -0.925 15.289 1.00 0.00 C ATOM 1731 NE ARG A 107 -23.862 0.413 15.787 1.00 0.00 N ATOM 1732 CZ ARG A 107 -23.225 1.060 16.765 1.00 0.00 C ATOM 1733 NH1 ARG A 107 -22.208 0.504 17.411 1.00 0.00 N ATOM 1734 NH2 ARG A 107 -23.632 2.279 17.079 1.00 0.00 N ATOM 0 H ARG A 107 -24.141 -0.096 10.479 1.00 0.00 H new ATOM 0 HA ARG A 107 -22.833 -2.233 12.084 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -22.213 0.201 12.316 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -23.786 0.429 13.052 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -22.051 -1.850 14.027 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -21.644 -0.220 14.526 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -24.423 -1.408 14.901 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -23.162 -1.541 16.111 1.00 0.00 H new ATOM 0 HE ARG A 107 -24.650 0.890 15.348 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -21.899 -0.436 17.163 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -21.735 1.017 18.155 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -24.414 2.701 16.578 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -23.164 2.797 17.822 1.00 0.00 H new ATOM 1748 N ILE A 108 -24.866 -3.223 12.994 1.00 0.00 N ATOM 1749 CA ILE A 108 -26.000 -3.983 13.489 1.00 0.00 C ATOM 1750 C ILE A 108 -25.835 -4.165 14.995 1.00 0.00 C ATOM 1751 O ILE A 108 -24.727 -4.126 15.526 1.00 0.00 O ATOM 1752 CB ILE A 108 -26.028 -5.362 12.771 1.00 0.00 C ATOM 1753 CG1 ILE A 108 -25.589 -5.360 11.287 1.00 0.00 C ATOM 1754 CG2 ILE A 108 -27.395 -6.052 12.902 1.00 0.00 C ATOM 1755 CD1 ILE A 108 -26.361 -4.435 10.341 1.00 0.00 C ATOM 0 H ILE A 108 -23.988 -3.732 13.095 1.00 0.00 H new ATOM 0 HA ILE A 108 -26.937 -3.463 13.291 1.00 0.00 H new ATOM 0 HB ILE A 108 -25.267 -5.931 13.305 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -24.535 -5.086 11.245 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -25.669 -6.379 10.907 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -27.369 -7.012 12.386 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -27.622 -6.213 13.956 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -28.165 -5.422 12.457 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -25.957 -4.526 9.333 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -27.414 -4.716 10.337 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -26.262 -3.404 10.679 1.00 0.00 H new ATOM 1767 N ARG A 109 -26.930 -4.448 15.696 1.00 0.00 N ATOM 1768 CA ARG A 109 -26.978 -4.678 17.143 1.00 0.00 C ATOM 1769 C ARG A 109 -26.112 -5.851 17.619 1.00 0.00 C ATOM 1770 O ARG A 109 -25.986 -6.065 18.826 1.00 0.00 O ATOM 1771 CB ARG A 109 -28.441 -4.925 17.547 1.00 0.00 C ATOM 1772 CG ARG A 109 -29.080 -6.139 16.850 1.00 0.00 C ATOM 1773 CD ARG A 109 -30.403 -6.499 17.519 1.00 0.00 C ATOM 1774 NE ARG A 109 -31.197 -7.424 16.700 1.00 0.00 N ATOM 1775 CZ ARG A 109 -32.488 -7.696 16.918 1.00 0.00 C ATOM 1776 NH1 ARG A 109 -33.091 -7.220 18.007 1.00 0.00 N ATOM 1777 NH2 ARG A 109 -33.181 -8.437 16.061 1.00 0.00 N ATOM 0 H ARG A 109 -27.847 -4.527 15.256 1.00 0.00 H new ATOM 0 HA ARG A 109 -26.568 -3.789 17.622 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -28.491 -5.069 18.626 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -29.027 -4.035 17.317 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -29.247 -5.916 15.796 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -28.400 -6.990 16.892 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -30.207 -6.952 18.491 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -30.977 -5.590 17.700 1.00 0.00 H new ATOM 0 HE ARG A 109 -30.736 -7.887 15.917 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -32.568 -6.650 18.672 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -34.076 -7.426 18.176 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -32.729 -8.806 15.224 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -34.165 -8.637 16.239 1.00 0.00 H new ATOM 1791 N THR A 110 -25.561 -6.633 16.698 1.00 0.00 N ATOM 1792 CA THR A 110 -24.742 -7.793 16.975 1.00 0.00 C ATOM 1793 C THR A 110 -23.277 -7.571 16.590 1.00 0.00 C ATOM 1794 O THR A 110 -22.429 -8.247 17.170 1.00 0.00 O ATOM 1795 CB THR A 110 -25.426 -8.974 16.259 1.00 0.00 C ATOM 1796 OG1 THR A 110 -25.024 -10.232 16.751 1.00 0.00 O ATOM 1797 CG2 THR A 110 -25.276 -8.962 14.733 1.00 0.00 C ATOM 0 H THR A 110 -25.681 -6.464 15.699 1.00 0.00 H new ATOM 0 HA THR A 110 -24.680 -8.005 18.042 1.00 0.00 H new ATOM 0 HB THR A 110 -26.480 -8.823 16.490 1.00 0.00 H new ATOM 0 HG1 THR A 110 -25.492 -10.940 16.260 1.00 0.00 H new ATOM 0 HG21 THR A 110 -25.787 -9.827 14.310 1.00 0.00 H new ATOM 0 HG22 THR A 110 -25.716 -8.049 14.331 1.00 0.00 H new ATOM 0 HG23 THR A 110 -24.219 -9.001 14.471 1.00 0.00 H new ATOM 1805 N ASP A 111 -22.976 -6.678 15.633 1.00 0.00 N ATOM 1806 CA ASP A 111 -21.613 -6.377 15.164 1.00 0.00 C ATOM 1807 C ASP A 111 -21.646 -5.364 14.012 1.00 0.00 C ATOM 1808 O ASP A 111 -22.714 -4.913 13.594 1.00 0.00 O ATOM 1809 CB ASP A 111 -20.875 -7.636 14.653 1.00 0.00 C ATOM 1810 CG ASP A 111 -19.383 -7.629 14.987 1.00 0.00 C ATOM 1811 OD1 ASP A 111 -18.781 -6.530 15.086 1.00 0.00 O ATOM 1812 OD2 ASP A 111 -18.836 -8.746 15.129 1.00 0.00 O ATOM 0 H ASP A 111 -23.691 -6.132 15.152 1.00 0.00 H new ATOM 0 HA ASP A 111 -21.082 -5.972 16.026 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -21.335 -8.523 15.089 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -21.000 -7.711 13.573 1.00 0.00 H new ATOM 1817 N THR A 112 -20.480 -5.015 13.477 1.00 0.00 N ATOM 1818 CA THR A 112 -20.276 -4.091 12.376 1.00 0.00 C ATOM 1819 C THR A 112 -19.907 -4.908 11.140 1.00 0.00 C ATOM 1820 O THR A 112 -19.157 -5.884 11.230 1.00 0.00 O ATOM 1821 CB THR A 112 -19.199 -3.068 12.761 1.00 0.00 C ATOM 1822 OG1 THR A 112 -19.523 -2.502 14.016 1.00 0.00 O ATOM 1823 CG2 THR A 112 -19.095 -1.949 11.721 1.00 0.00 C ATOM 0 H THR A 112 -19.600 -5.396 13.825 1.00 0.00 H new ATOM 0 HA THR A 112 -21.179 -3.523 12.151 1.00 0.00 H new ATOM 0 HB THR A 112 -18.240 -3.584 12.809 1.00 0.00 H new ATOM 0 HG1 THR A 112 -18.837 -1.849 14.267 1.00 0.00 H new ATOM 0 HG21 THR A 112 -18.323 -1.241 12.024 1.00 0.00 H new ATOM 0 HG22 THR A 112 -18.836 -2.376 10.752 1.00 0.00 H new ATOM 0 HG23 THR A 112 -20.052 -1.432 11.646 1.00 0.00 H new ATOM 1831 N TYR A 113 -20.434 -4.512 9.982 1.00 0.00 N ATOM 1832 CA TYR A 113 -20.219 -5.162 8.700 1.00 0.00 C ATOM 1833 C TYR A 113 -19.986 -4.075 7.655 1.00 0.00 C ATOM 1834 O TYR A 113 -20.289 -2.901 7.887 1.00 0.00 O ATOM 1835 CB TYR A 113 -21.464 -6.002 8.317 1.00 0.00 C ATOM 1836 CG TYR A 113 -21.864 -7.084 9.311 1.00 0.00 C ATOM 1837 CD1 TYR A 113 -22.435 -6.725 10.546 1.00 0.00 C ATOM 1838 CD2 TYR A 113 -21.653 -8.447 9.024 1.00 0.00 C ATOM 1839 CE1 TYR A 113 -22.712 -7.693 11.525 1.00 0.00 C ATOM 1840 CE2 TYR A 113 -21.918 -9.427 10.001 1.00 0.00 C ATOM 1841 CZ TYR A 113 -22.400 -9.044 11.273 1.00 0.00 C ATOM 1842 OH TYR A 113 -22.511 -9.958 12.276 1.00 0.00 O ATOM 0 H TYR A 113 -21.045 -3.698 9.914 1.00 0.00 H new ATOM 0 HA TYR A 113 -19.358 -5.828 8.754 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -22.309 -5.326 8.185 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -21.279 -6.473 7.351 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -22.664 -5.688 10.744 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -21.287 -8.742 8.052 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -23.161 -7.404 12.464 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -21.753 -10.471 9.778 1.00 0.00 H new ATOM 0 HH TYR A 113 -22.261 -10.844 11.940 1.00 0.00 H new ATOM 1852 N VAL A 114 -19.464 -4.461 6.497 1.00 0.00 N ATOM 1853 CA VAL A 114 -19.201 -3.578 5.371 1.00 0.00 C ATOM 1854 C VAL A 114 -19.861 -4.209 4.154 1.00 0.00 C ATOM 1855 O VAL A 114 -20.030 -5.430 4.083 1.00 0.00 O ATOM 1856 CB VAL A 114 -17.684 -3.298 5.217 1.00 0.00 C ATOM 1857 CG1 VAL A 114 -17.257 -2.860 3.802 1.00 0.00 C ATOM 1858 CG2 VAL A 114 -17.308 -2.163 6.176 1.00 0.00 C ATOM 0 H VAL A 114 -19.204 -5.430 6.311 1.00 0.00 H new ATOM 0 HA VAL A 114 -19.630 -2.587 5.519 1.00 0.00 H new ATOM 0 HB VAL A 114 -17.176 -4.238 5.432 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -16.181 -2.685 3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -17.509 -3.643 3.087 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -17.778 -1.941 3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -16.243 -1.948 6.085 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -17.881 -1.270 5.926 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -17.532 -2.463 7.200 1.00 0.00 H new ATOM 1868 N LYS A 115 -20.242 -3.369 3.205 1.00 0.00 N ATOM 1869 CA LYS A 115 -20.884 -3.662 1.938 1.00 0.00 C ATOM 1870 C LYS A 115 -19.968 -3.094 0.863 1.00 0.00 C ATOM 1871 O LYS A 115 -19.316 -2.071 1.090 1.00 0.00 O ATOM 1872 CB LYS A 115 -22.247 -2.940 1.928 1.00 0.00 C ATOM 1873 CG LYS A 115 -23.451 -3.891 2.008 1.00 0.00 C ATOM 1874 CD LYS A 115 -23.805 -4.568 0.674 1.00 0.00 C ATOM 1875 CE LYS A 115 -24.220 -3.462 -0.297 1.00 0.00 C ATOM 1876 NZ LYS A 115 -24.978 -3.928 -1.472 1.00 0.00 N ATOM 0 H LYS A 115 -20.093 -2.366 3.316 1.00 0.00 H new ATOM 0 HA LYS A 115 -21.048 -4.727 1.774 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -22.287 -2.246 2.768 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -22.326 -2.344 1.019 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -23.243 -4.662 2.750 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -24.318 -3.333 2.362 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -22.951 -5.121 0.285 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -24.615 -5.285 0.809 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -24.824 -2.732 0.242 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -23.325 -2.944 -0.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -25.218 -3.115 -2.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -24.400 -4.602 -2.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -25.852 -4.396 -1.158 1.00 0.00 H new ATOM 1890 N LEU A 116 -19.870 -3.798 -0.260 1.00 0.00 N ATOM 1891 CA LEU A 116 -19.079 -3.384 -1.411 1.00 0.00 C ATOM 1892 C LEU A 116 -19.962 -3.561 -2.627 1.00 0.00 C ATOM 1893 O LEU A 116 -20.974 -4.273 -2.551 1.00 0.00 O ATOM 1894 CB LEU A 116 -17.758 -4.148 -1.519 1.00 0.00 C ATOM 1895 CG LEU A 116 -16.735 -3.580 -2.522 1.00 0.00 C ATOM 1896 CD1 LEU A 116 -16.833 -4.079 -3.972 1.00 0.00 C ATOM 1897 CD2 LEU A 116 -16.601 -2.067 -2.425 1.00 0.00 C ATOM 0 H LEU A 116 -20.348 -4.689 -0.397 1.00 0.00 H new ATOM 0 HA LEU A 116 -18.775 -2.342 -1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -17.295 -4.176 -0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -17.978 -5.179 -1.797 1.00 0.00 H new ATOM 0 HG LEU A 116 -15.797 -4.021 -2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -16.058 -3.603 -4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -16.697 -5.160 -3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -17.813 -3.828 -4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -15.868 -1.719 -3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -17.565 -1.602 -2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -16.273 -1.794 -1.422 1.00 0.00 H new ATOM 1909 N ASP A 117 -19.597 -2.952 -3.749 1.00 0.00 N ATOM 1910 CA ASP A 117 -20.399 -3.042 -4.957 1.00 0.00 C ATOM 1911 C ASP A 117 -19.709 -3.598 -6.192 1.00 0.00 C ATOM 1912 O ASP A 117 -18.962 -2.945 -6.925 1.00 0.00 O ATOM 1913 CB ASP A 117 -21.150 -1.764 -5.263 1.00 0.00 C ATOM 1914 CG ASP A 117 -22.390 -2.199 -6.027 1.00 0.00 C ATOM 1915 OD1 ASP A 117 -22.329 -2.320 -7.266 1.00 0.00 O ATOM 1916 OD2 ASP A 117 -23.364 -2.640 -5.374 1.00 0.00 O ATOM 0 H ASP A 117 -18.750 -2.391 -3.845 1.00 0.00 H new ATOM 0 HA ASP A 117 -21.125 -3.812 -4.696 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -21.417 -1.236 -4.347 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -20.541 -1.083 -5.857 1.00 0.00 H new ATOM 1921 N LYS A 118 -20.052 -4.848 -6.433 1.00 0.00 N ATOM 1922 CA LYS A 118 -19.610 -5.691 -7.535 1.00 0.00 C ATOM 1923 C LYS A 118 -20.156 -5.277 -8.901 1.00 0.00 C ATOM 1924 O LYS A 118 -19.741 -5.896 -9.888 1.00 0.00 O ATOM 1925 CB LYS A 118 -20.093 -7.115 -7.216 1.00 0.00 C ATOM 1926 CG LYS A 118 -19.204 -7.709 -6.132 1.00 0.00 C ATOM 1927 CD LYS A 118 -19.731 -8.888 -5.317 1.00 0.00 C ATOM 1928 CE LYS A 118 -20.218 -10.083 -6.142 1.00 0.00 C ATOM 1929 NZ LYS A 118 -21.547 -9.873 -6.752 1.00 0.00 N ATOM 0 H LYS A 118 -20.697 -5.342 -5.817 1.00 0.00 H new ATOM 0 HA LYS A 118 -18.526 -5.606 -7.613 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -21.131 -7.095 -6.883 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -20.058 -7.734 -8.113 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -18.273 -8.023 -6.603 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -18.955 -6.910 -5.434 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -18.942 -9.227 -4.646 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -20.553 -8.539 -4.692 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -19.494 -10.290 -6.930 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -20.255 -10.965 -5.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -22.015 -10.792 -6.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -22.127 -9.279 -6.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -21.436 -9.400 -7.672 1.00 0.00 H new ATOM 1943 N ALA A 119 -21.074 -4.312 -8.990 1.00 0.00 N ATOM 1944 CA ALA A 119 -21.639 -3.903 -10.269 1.00 0.00 C ATOM 1945 C ALA A 119 -21.052 -2.611 -10.819 1.00 0.00 C ATOM 1946 O ALA A 119 -21.222 -2.386 -12.012 1.00 0.00 O ATOM 1947 CB ALA A 119 -23.155 -3.742 -10.135 1.00 0.00 C ATOM 0 H ALA A 119 -21.440 -3.801 -8.187 1.00 0.00 H new ATOM 0 HA ALA A 119 -21.385 -4.692 -10.977 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -23.575 -3.436 -11.093 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -23.596 -4.692 -9.832 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -23.375 -2.984 -9.384 1.00 0.00 H new ATOM 1953 N VAL A 120 -20.391 -1.780 -10.013 1.00 0.00 N ATOM 1954 CA VAL A 120 -19.831 -0.515 -10.496 1.00 0.00 C ATOM 1955 C VAL A 120 -18.669 -0.766 -11.468 1.00 0.00 C ATOM 1956 O VAL A 120 -18.010 -1.811 -11.422 1.00 0.00 O ATOM 1957 CB VAL A 120 -19.406 0.362 -9.293 1.00 0.00 C ATOM 1958 CG1 VAL A 120 -18.916 1.758 -9.712 1.00 0.00 C ATOM 1959 CG2 VAL A 120 -20.568 0.584 -8.314 1.00 0.00 C ATOM 0 H VAL A 120 -20.229 -1.959 -9.022 1.00 0.00 H new ATOM 0 HA VAL A 120 -20.595 0.027 -11.054 1.00 0.00 H new ATOM 0 HB VAL A 120 -18.593 -0.192 -8.823 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -18.632 2.325 -8.826 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -18.053 1.658 -10.370 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -19.715 2.281 -10.238 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -20.231 1.204 -7.483 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -21.388 1.084 -8.830 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -20.911 -0.378 -7.933 1.00 0.00 H new ATOM 1969 N ASP A 121 -18.429 0.198 -12.357 1.00 0.00 N ATOM 1970 CA ASP A 121 -17.369 0.201 -13.351 1.00 0.00 C ATOM 1971 C ASP A 121 -16.034 0.368 -12.628 1.00 0.00 C ATOM 1972 O ASP A 121 -15.945 1.070 -11.622 1.00 0.00 O ATOM 1973 CB ASP A 121 -17.628 1.325 -14.365 1.00 0.00 C ATOM 1974 CG ASP A 121 -16.757 2.560 -14.161 1.00 0.00 C ATOM 1975 OD1 ASP A 121 -17.019 3.396 -13.267 1.00 0.00 O ATOM 1976 OD2 ASP A 121 -15.823 2.691 -14.977 1.00 0.00 O ATOM 0 H ASP A 121 -19.003 1.040 -12.401 1.00 0.00 H new ATOM 0 HA ASP A 121 -17.342 -0.736 -13.906 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -17.462 0.938 -15.370 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -18.676 1.619 -14.306 1.00 0.00 H new ATOM 1981 N LEU A 122 -14.992 -0.338 -13.068 1.00 0.00 N ATOM 1982 CA LEU A 122 -13.680 -0.227 -12.434 1.00 0.00 C ATOM 1983 C LEU A 122 -12.822 0.842 -13.113 1.00 0.00 C ATOM 1984 O LEU A 122 -11.917 1.386 -12.493 1.00 0.00 O ATOM 1985 CB LEU A 122 -12.995 -1.604 -12.361 1.00 0.00 C ATOM 1986 CG LEU A 122 -12.307 -1.885 -11.008 1.00 0.00 C ATOM 1987 CD1 LEU A 122 -11.191 -0.903 -10.716 1.00 0.00 C ATOM 1988 CD2 LEU A 122 -13.263 -1.927 -9.804 1.00 0.00 C ATOM 0 H LEU A 122 -15.031 -0.987 -13.854 1.00 0.00 H new ATOM 0 HA LEU A 122 -13.814 0.109 -11.406 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -13.738 -2.380 -12.549 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -12.253 -1.673 -13.157 1.00 0.00 H new ATOM 0 HG LEU A 122 -11.895 -2.886 -11.132 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -10.738 -1.142 -9.754 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -10.435 -0.968 -11.499 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -11.595 0.109 -10.685 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -12.696 -2.130 -8.896 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -13.770 -0.967 -9.708 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -14.002 -2.714 -9.953 1.00 0.00 H new ATOM 2000 N ALA A 123 -13.092 1.173 -14.372 1.00 0.00 N ATOM 2001 CA ALA A 123 -12.330 2.189 -15.104 1.00 0.00 C ATOM 2002 C ALA A 123 -12.392 3.532 -14.367 1.00 0.00 C ATOM 2003 O ALA A 123 -11.353 4.109 -14.030 1.00 0.00 O ATOM 2004 CB ALA A 123 -12.821 2.316 -16.548 1.00 0.00 C ATOM 0 H ALA A 123 -13.843 0.748 -14.916 1.00 0.00 H new ATOM 0 HA ALA A 123 -11.287 1.874 -15.147 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -12.237 3.077 -17.065 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -12.704 1.360 -17.058 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -13.873 2.602 -16.551 1.00 0.00 H new ATOM 2010 N GLY A 124 -13.607 3.996 -14.065 1.00 0.00 N ATOM 2011 CA GLY A 124 -13.853 5.247 -13.372 1.00 0.00 C ATOM 2012 C GLY A 124 -13.273 5.201 -11.965 1.00 0.00 C ATOM 2013 O GLY A 124 -12.694 6.191 -11.515 1.00 0.00 O ATOM 0 H GLY A 124 -14.462 3.495 -14.305 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -13.407 6.071 -13.929 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -14.925 5.438 -13.324 1.00 0.00 H new ATOM 2017 N LEU A 125 -13.400 4.060 -11.272 1.00 0.00 N ATOM 2018 CA LEU A 125 -12.877 3.896 -9.917 1.00 0.00 C ATOM 2019 C LEU A 125 -11.354 3.981 -9.941 1.00 0.00 C ATOM 2020 O LEU A 125 -10.785 4.695 -9.114 1.00 0.00 O ATOM 2021 CB LEU A 125 -13.382 2.603 -9.252 1.00 0.00 C ATOM 2022 CG LEU A 125 -14.890 2.612 -8.932 1.00 0.00 C ATOM 2023 CD1 LEU A 125 -15.311 1.280 -8.310 1.00 0.00 C ATOM 2024 CD2 LEU A 125 -15.295 3.748 -7.984 1.00 0.00 C ATOM 0 H LEU A 125 -13.867 3.230 -11.638 1.00 0.00 H new ATOM 0 HA LEU A 125 -13.255 4.710 -9.299 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -13.165 1.760 -9.908 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -12.826 2.440 -8.329 1.00 0.00 H new ATOM 0 HG LEU A 125 -15.400 2.771 -9.882 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -16.378 1.302 -8.090 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -15.101 0.470 -9.009 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -14.754 1.117 -7.388 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -16.368 3.701 -7.797 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -14.758 3.644 -7.041 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -15.048 4.707 -8.439 1.00 0.00 H new ATOM 2036 N THR A 126 -10.677 3.269 -10.846 1.00 0.00 N ATOM 2037 CA THR A 126 -9.224 3.325 -10.963 1.00 0.00 C ATOM 2038 C THR A 126 -8.789 4.768 -11.245 1.00 0.00 C ATOM 2039 O THR A 126 -7.840 5.246 -10.618 1.00 0.00 O ATOM 2040 CB THR A 126 -8.759 2.395 -12.100 1.00 0.00 C ATOM 2041 OG1 THR A 126 -9.006 1.047 -11.770 1.00 0.00 O ATOM 2042 CG2 THR A 126 -7.269 2.473 -12.431 1.00 0.00 C ATOM 0 H THR A 126 -11.122 2.640 -11.515 1.00 0.00 H new ATOM 0 HA THR A 126 -8.769 2.993 -10.030 1.00 0.00 H new ATOM 0 HB THR A 126 -9.328 2.740 -12.963 1.00 0.00 H new ATOM 0 HG1 THR A 126 -8.706 0.470 -12.504 1.00 0.00 H new ATOM 0 HG21 THR A 126 -7.040 1.783 -13.243 1.00 0.00 H new ATOM 0 HG22 THR A 126 -7.017 3.488 -12.736 1.00 0.00 H new ATOM 0 HG23 THR A 126 -6.686 2.204 -11.550 1.00 0.00 H new ATOM 2050 N ALA A 127 -9.487 5.450 -12.163 1.00 0.00 N ATOM 2051 CA ALA A 127 -9.198 6.812 -12.574 1.00 0.00 C ATOM 2052 C ALA A 127 -9.180 7.778 -11.396 1.00 0.00 C ATOM 2053 O ALA A 127 -8.109 8.302 -11.084 1.00 0.00 O ATOM 2054 CB ALA A 127 -10.162 7.265 -13.676 1.00 0.00 C ATOM 0 H ALA A 127 -10.290 5.049 -12.648 1.00 0.00 H new ATOM 0 HA ALA A 127 -8.191 6.823 -12.990 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -9.926 8.288 -13.968 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -10.061 6.609 -14.540 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -11.186 7.220 -13.305 1.00 0.00 H new ATOM 2060 N ARG A 128 -10.325 7.999 -10.734 1.00 0.00 N ATOM 2061 CA ARG A 128 -10.402 8.925 -9.599 1.00 0.00 C ATOM 2062 C ARG A 128 -9.397 8.583 -8.511 1.00 0.00 C ATOM 2063 O ARG A 128 -8.798 9.484 -7.932 1.00 0.00 O ATOM 2064 CB ARG A 128 -11.830 9.029 -9.018 1.00 0.00 C ATOM 2065 CG ARG A 128 -12.443 7.729 -8.473 1.00 0.00 C ATOM 2066 CD ARG A 128 -13.934 7.911 -8.140 1.00 0.00 C ATOM 2067 NE ARG A 128 -14.166 8.522 -6.814 1.00 0.00 N ATOM 2068 CZ ARG A 128 -15.259 9.203 -6.437 1.00 0.00 C ATOM 2069 NH1 ARG A 128 -16.119 9.713 -7.310 1.00 0.00 N ATOM 2070 NH2 ARG A 128 -15.502 9.381 -5.149 1.00 0.00 N ATOM 0 H ARG A 128 -11.210 7.548 -10.967 1.00 0.00 H new ATOM 0 HA ARG A 128 -10.140 9.906 -9.995 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -11.819 9.765 -8.214 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -12.488 9.417 -9.796 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -12.327 6.933 -9.209 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -11.904 7.417 -7.579 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -14.397 8.534 -8.905 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -14.429 6.940 -8.177 1.00 0.00 H new ATOM 0 HE ARG A 128 -13.426 8.416 -6.120 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -15.961 9.594 -8.311 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -16.938 10.224 -6.980 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -14.861 9.002 -4.452 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -16.330 9.897 -4.853 1.00 0.00 H new ATOM 2084 N LEU A 129 -9.201 7.293 -8.234 1.00 0.00 N ATOM 2085 CA LEU A 129 -8.283 6.860 -7.195 1.00 0.00 C ATOM 2086 C LEU A 129 -6.844 7.268 -7.527 1.00 0.00 C ATOM 2087 O LEU A 129 -6.174 7.866 -6.693 1.00 0.00 O ATOM 2088 CB LEU A 129 -8.470 5.346 -6.979 1.00 0.00 C ATOM 2089 CG LEU A 129 -7.787 4.782 -5.723 1.00 0.00 C ATOM 2090 CD1 LEU A 129 -8.391 5.343 -4.427 1.00 0.00 C ATOM 2091 CD2 LEU A 129 -7.927 3.252 -5.712 1.00 0.00 C ATOM 0 H LEU A 129 -9.672 6.531 -8.721 1.00 0.00 H new ATOM 0 HA LEU A 129 -8.504 7.358 -6.251 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -9.537 5.131 -6.922 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -8.085 4.819 -7.852 1.00 0.00 H new ATOM 0 HG LEU A 129 -6.739 5.079 -5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -7.874 4.914 -3.569 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -8.279 6.427 -4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -9.449 5.087 -4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -7.443 2.849 -4.822 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -8.983 2.983 -5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -7.454 2.837 -6.602 1.00 0.00 H new ATOM 2103 N ALA A 130 -6.378 6.990 -8.748 1.00 0.00 N ATOM 2104 CA ALA A 130 -5.020 7.301 -9.194 1.00 0.00 C ATOM 2105 C ALA A 130 -4.782 8.753 -9.643 1.00 0.00 C ATOM 2106 O ALA A 130 -3.637 9.114 -9.897 1.00 0.00 O ATOM 2107 CB ALA A 130 -4.658 6.319 -10.314 1.00 0.00 C ATOM 0 H ALA A 130 -6.944 6.535 -9.464 1.00 0.00 H new ATOM 0 HA ALA A 130 -4.370 7.191 -8.326 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -3.648 6.527 -10.668 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -4.706 5.299 -9.933 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -5.362 6.432 -11.139 1.00 0.00 H new ATOM 2113 N HIS A 131 -5.823 9.573 -9.817 1.00 0.00 N ATOM 2114 CA HIS A 131 -5.685 10.970 -10.229 1.00 0.00 C ATOM 2115 C HIS A 131 -5.291 11.810 -8.993 1.00 0.00 C ATOM 2116 O HIS A 131 -4.747 12.906 -9.127 1.00 0.00 O ATOM 2117 CB HIS A 131 -7.007 11.401 -10.907 1.00 0.00 C ATOM 2118 CG HIS A 131 -6.983 12.614 -11.813 1.00 0.00 C ATOM 2119 ND1 HIS A 131 -7.942 12.928 -12.756 1.00 0.00 N ATOM 2120 CD2 HIS A 131 -6.025 13.587 -11.883 1.00 0.00 C ATOM 2121 CE1 HIS A 131 -7.569 14.066 -13.364 1.00 0.00 C ATOM 2122 NE2 HIS A 131 -6.418 14.521 -12.847 1.00 0.00 N ATOM 0 H HIS A 131 -6.790 9.283 -9.675 1.00 0.00 H new ATOM 0 HA HIS A 131 -4.893 11.121 -10.963 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -7.373 10.556 -11.491 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -7.739 11.586 -10.121 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -5.120 13.627 -11.295 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -8.119 14.548 -14.159 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -5.927 15.377 -13.105 1.00 0.00 H new ATOM 2130 N HIS A 132 -5.555 11.300 -7.780 1.00 0.00 N ATOM 2131 CA HIS A 132 -5.254 11.905 -6.483 1.00 0.00 C ATOM 2132 C HIS A 132 -5.834 13.313 -6.240 1.00 0.00 C ATOM 2133 O HIS A 132 -5.476 13.938 -5.241 1.00 0.00 O ATOM 2134 CB HIS A 132 -3.737 11.863 -6.226 1.00 0.00 C ATOM 2135 CG HIS A 132 -3.098 10.504 -6.366 1.00 0.00 C ATOM 2136 ND1 HIS A 132 -2.123 10.165 -7.274 1.00 0.00 N ATOM 2137 CD2 HIS A 132 -3.328 9.407 -5.580 1.00 0.00 C ATOM 2138 CE1 HIS A 132 -1.757 8.897 -7.031 1.00 0.00 C ATOM 2139 NE2 HIS A 132 -2.451 8.397 -5.996 1.00 0.00 N ATOM 0 H HIS A 132 -6.014 10.395 -7.678 1.00 0.00 H new ATOM 0 HA HIS A 132 -5.779 11.291 -5.751 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -3.249 12.549 -6.918 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -3.545 12.235 -5.220 1.00 0.00 H new ATOM 0 HD1 HIS A 132 -1.745 10.770 -8.003 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -4.054 9.334 -4.784 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -1.009 8.355 -7.590 1.00 0.00 H new ATOM 2147 N VAL A 133 -6.763 13.790 -7.076 1.00 0.00 N ATOM 2148 CA VAL A 133 -7.406 15.105 -7.011 1.00 0.00 C ATOM 2149 C VAL A 133 -7.841 15.427 -5.578 1.00 0.00 C ATOM 2150 O VAL A 133 -7.403 16.439 -5.027 1.00 0.00 O ATOM 2151 CB VAL A 133 -8.548 15.178 -8.056 1.00 0.00 C ATOM 2152 CG1 VAL A 133 -9.242 16.543 -8.116 1.00 0.00 C ATOM 2153 CG2 VAL A 133 -8.007 14.868 -9.460 1.00 0.00 C ATOM 0 H VAL A 133 -7.105 13.236 -7.861 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.695 15.887 -7.276 1.00 0.00 H new ATOM 0 HB VAL A 133 -9.281 14.438 -7.735 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -10.029 16.518 -8.869 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -9.677 16.773 -7.144 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -8.514 17.310 -8.378 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -8.820 14.923 -10.184 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -7.238 15.595 -9.722 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -7.578 13.866 -9.472 1.00 0.00 H new ATOM 2163 N HIS A 134 -8.642 14.558 -4.953 1.00 0.00 N ATOM 2164 CA HIS A 134 -9.116 14.742 -3.582 1.00 0.00 C ATOM 2165 C HIS A 134 -8.463 13.723 -2.629 1.00 0.00 C ATOM 2166 O HIS A 134 -8.852 13.615 -1.464 1.00 0.00 O ATOM 2167 CB HIS A 134 -10.656 14.710 -3.563 1.00 0.00 C ATOM 2168 CG HIS A 134 -11.276 15.412 -2.377 1.00 0.00 C ATOM 2169 ND1 HIS A 134 -11.170 15.036 -1.056 1.00 0.00 N ATOM 2170 CD2 HIS A 134 -12.009 16.568 -2.417 1.00 0.00 C ATOM 2171 CE1 HIS A 134 -11.812 15.946 -0.311 1.00 0.00 C ATOM 2172 NE2 HIS A 134 -12.337 16.904 -1.096 1.00 0.00 N ATOM 0 H HIS A 134 -8.981 13.701 -5.390 1.00 0.00 H new ATOM 0 HA HIS A 134 -8.811 15.720 -3.211 1.00 0.00 H new ATOM 0 HB2 HIS A 134 -11.029 15.169 -4.478 1.00 0.00 H new ATOM 0 HB3 HIS A 134 -10.987 13.671 -3.570 1.00 0.00 H new ATOM 0 HD1 HIS A 134 -10.687 14.209 -0.706 1.00 0.00 H new ATOM 0 HD2 HIS A 134 -12.284 17.120 -3.304 1.00 0.00 H new ATOM 0 HE1 HIS A 134 -11.896 15.915 0.765 1.00 0.00 H new ATOM 2180 N ALA A 135 -7.528 12.906 -3.122 1.00 0.00 N ATOM 2181 CA ALA A 135 -6.849 11.925 -2.294 1.00 0.00 C ATOM 2182 C ALA A 135 -5.967 12.644 -1.280 1.00 0.00 C ATOM 2183 O ALA A 135 -5.594 13.806 -1.457 1.00 0.00 O ATOM 2184 CB ALA A 135 -6.029 10.958 -3.145 1.00 0.00 C ATOM 0 H ALA A 135 -7.228 12.911 -4.097 1.00 0.00 H new ATOM 0 HA ALA A 135 -7.595 11.334 -1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -5.532 10.235 -2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -6.688 10.433 -3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -5.281 11.515 -3.709 1.00 0.00 H new ATOM 2190 N GLU A 136 -5.608 11.903 -0.238 1.00 0.00 N ATOM 2191 CA GLU A 136 -4.784 12.384 0.866 1.00 0.00 C ATOM 2192 C GLU A 136 -3.590 11.438 1.079 1.00 0.00 C ATOM 2193 O GLU A 136 -2.557 11.856 1.599 1.00 0.00 O ATOM 2194 CB GLU A 136 -5.633 12.701 2.127 1.00 0.00 C ATOM 2195 CG GLU A 136 -7.168 12.633 1.922 1.00 0.00 C ATOM 2196 CD GLU A 136 -7.990 13.333 3.005 1.00 0.00 C ATOM 2197 OE1 GLU A 136 -7.735 14.529 3.273 1.00 0.00 O ATOM 2198 OE2 GLU A 136 -8.976 12.752 3.514 1.00 0.00 O ATOM 0 H GLU A 136 -5.888 10.928 -0.134 1.00 0.00 H new ATOM 0 HA GLU A 136 -4.347 13.350 0.613 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -5.357 12.003 2.917 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -5.373 13.699 2.479 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -7.412 13.077 0.957 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -7.469 11.586 1.877 1.00 0.00 H new ATOM 2205 N GLY A 137 -3.651 10.198 0.565 1.00 0.00 N ATOM 2206 CA GLY A 137 -2.571 9.222 0.668 1.00 0.00 C ATOM 2207 C GLY A 137 -2.439 8.617 2.052 1.00 0.00 C ATOM 2208 O GLY A 137 -1.318 8.517 2.556 1.00 0.00 O ATOM 0 H GLY A 137 -4.466 9.848 0.061 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -2.742 8.424 -0.055 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -1.630 9.702 0.397 1.00 0.00 H new ATOM 2212 N LEU A 138 -3.572 8.273 2.664 1.00 0.00 N ATOM 2213 CA LEU A 138 -3.635 7.663 3.984 1.00 0.00 C ATOM 2214 C LEU A 138 -2.750 6.427 3.953 1.00 0.00 C ATOM 2215 O LEU A 138 -1.859 6.331 4.817 1.00 0.00 O ATOM 2216 CB LEU A 138 -5.084 7.297 4.350 1.00 0.00 C ATOM 2217 CG LEU A 138 -5.985 8.458 4.804 1.00 0.00 C ATOM 2218 CD1 LEU A 138 -6.383 9.369 3.632 1.00 0.00 C ATOM 2219 CD2 LEU A 138 -7.257 7.886 5.436 1.00 0.00 C ATOM 0 H LEU A 138 -4.490 8.416 2.243 1.00 0.00 H new ATOM 0 HA LEU A 138 -3.286 8.360 4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -5.547 6.823 3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -5.059 6.552 5.145 1.00 0.00 H new ATOM 0 HG LEU A 138 -5.423 9.055 5.523 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -7.019 10.175 3.998 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -5.486 9.791 3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -6.927 8.787 2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.901 8.703 5.761 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -7.785 7.277 4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.991 7.270 6.295 1.00 0.00 H new TER 2231 LEU A 138