USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 757 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 45 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.0096) USER MOD Set 1.2: A 49 MET CE :methyl -149:sc= 0 (180deg=-0.119) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= -0.027 (180deg=-0.167) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 123:sc= -0.786 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.724 X(o=-0.72,f=-0.44) USER MOD Single : A 18 GLN : amide:sc= -0.669! C(o=-0.67!,f=-8!) USER MOD Single : A 21 GLN : amide:sc= -4.35! C(o=-4.3!,f=-7.3!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.886 K(o=0.89,f=-0.15) USER MOD Single : A 36 SER OG : rot -127:sc= -1.08 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -3.07! K(o=-3.1!,f=-1.1) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0189) USER MOD Single : A 47 GLN : amide:sc= -0.66 X(o=-0.66,f=-0.2) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 1.07 K(o=1.1,f=-0.2) USER MOD Single : A 54 LYS NZ :NH3+ -178:sc= -1.49 (180deg=-1.64) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 58 MET CE :methyl -166:sc= -11.9! (180deg=-13.4!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.0727 X(o=-0.073,f=-0.38) USER MOD Single : A 63 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-7.1!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.926 K(o=-0.93,f=0) USER MOD Single : A 71 MET CE :methyl -162:sc= -7.3! (180deg=-9.2!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.00012) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.0623 X(o=-0.062,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 48:sc= 0.902 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.481 -21.170 40.197 1.00 74.34 N ATOM 2 CA MET A 1 2.536 -22.384 41.052 1.00 5.24 C ATOM 3 C MET A 1 1.146 -22.778 41.550 1.00 63.22 C ATOM 4 O MET A 1 0.884 -23.949 41.821 1.00 43.14 O ATOM 5 CB MET A 1 3.467 -22.105 42.236 1.00 32.40 C ATOM 6 CG MET A 1 4.618 -23.090 42.352 1.00 40.53 C ATOM 7 SD MET A 1 5.738 -22.695 43.709 1.00 23.45 S ATOM 8 CE MET A 1 7.246 -22.333 42.812 1.00 0.14 C ATOM 0 H1 MET A 1 3.404 -21.026 39.739 1.00 74.34 H new ATOM 0 H2 MET A 1 1.748 -21.291 39.469 1.00 74.34 H new ATOM 0 H3 MET A 1 2.253 -20.342 40.784 1.00 74.34 H new ATOM 0 HA MET A 1 2.917 -23.218 40.463 1.00 5.24 H new ATOM 0 HB2 MET A 1 3.871 -21.097 42.140 1.00 32.40 H new ATOM 0 HB3 MET A 1 2.886 -22.129 43.158 1.00 32.40 H new ATOM 0 HG2 MET A 1 4.219 -24.094 42.497 1.00 40.53 H new ATOM 0 HG3 MET A 1 5.177 -23.101 41.416 1.00 40.53 H new ATOM 0 HE1 MET A 1 8.035 -22.070 43.517 1.00 0.14 H new ATOM 0 HE2 MET A 1 7.548 -23.210 42.239 1.00 0.14 H new ATOM 0 HE3 MET A 1 7.074 -21.498 42.133 1.00 0.14 H new ATOM 20 N GLY A 2 0.260 -21.794 41.666 1.00 62.30 N ATOM 21 CA GLY A 2 -1.089 -22.061 42.131 1.00 74.12 C ATOM 22 C GLY A 2 -1.844 -20.794 42.476 1.00 25.02 C ATOM 23 O GLY A 2 -1.503 -20.103 43.437 1.00 24.42 O ATOM 0 H GLY A 2 0.452 -20.817 41.446 1.00 62.30 H new ATOM 0 HA2 GLY A 2 -1.634 -22.607 41.361 1.00 74.12 H new ATOM 0 HA3 GLY A 2 -1.047 -22.706 43.009 1.00 74.12 H new ATOM 27 N SER A 3 -2.872 -20.484 41.693 1.00 50.14 N ATOM 28 CA SER A 3 -3.674 -19.288 41.923 1.00 44.11 C ATOM 29 C SER A 3 -5.155 -19.568 41.691 1.00 63.22 C ATOM 30 O SER A 3 -5.520 -20.570 41.075 1.00 1.32 O ATOM 31 CB SER A 3 -3.209 -18.153 41.010 1.00 62.01 C ATOM 32 OG SER A 3 -1.978 -17.610 41.457 1.00 44.20 O ATOM 0 H SER A 3 -3.169 -21.044 40.894 1.00 50.14 H new ATOM 0 HA SER A 3 -3.540 -18.988 42.962 1.00 44.11 H new ATOM 0 HB2 SER A 3 -3.098 -18.524 39.991 1.00 62.01 H new ATOM 0 HB3 SER A 3 -3.967 -17.370 40.983 1.00 62.01 H new ATOM 0 HG SER A 3 -1.702 -16.887 40.855 1.00 44.20 H new ATOM 38 N ARG A 4 -6.002 -18.676 42.191 1.00 31.34 N ATOM 39 CA ARG A 4 -7.445 -18.820 42.042 1.00 43.33 C ATOM 40 C ARG A 4 -7.874 -18.563 40.600 1.00 64.44 C ATOM 41 O ARG A 4 -7.668 -17.473 40.066 1.00 62.35 O ATOM 42 CB ARG A 4 -8.177 -17.862 42.986 1.00 75.15 C ATOM 43 CG ARG A 4 -7.781 -16.404 42.804 1.00 51.01 C ATOM 44 CD ARG A 4 -7.727 -15.667 44.135 1.00 3.44 C ATOM 45 NE ARG A 4 -9.062 -15.388 44.658 1.00 11.55 N ATOM 46 CZ ARG A 4 -9.323 -14.444 45.561 1.00 0.02 C ATOM 47 NH1 ARG A 4 -8.346 -13.693 46.053 1.00 3.51 N ATOM 48 NH2 ARG A 4 -10.567 -14.249 45.975 1.00 22.33 N ATOM 0 H ARG A 4 -5.713 -17.843 42.704 1.00 31.34 H new ATOM 0 HA ARG A 4 -7.710 -19.845 42.302 1.00 43.33 H new ATOM 0 HB2 ARG A 4 -9.251 -17.960 42.828 1.00 75.15 H new ATOM 0 HB3 ARG A 4 -7.978 -18.158 44.016 1.00 75.15 H new ATOM 0 HG2 ARG A 4 -6.807 -16.349 42.317 1.00 51.01 H new ATOM 0 HG3 ARG A 4 -8.495 -15.912 42.144 1.00 51.01 H new ATOM 0 HD2 ARG A 4 -7.171 -16.264 44.858 1.00 3.44 H new ATOM 0 HD3 ARG A 4 -7.183 -14.731 44.010 1.00 3.44 H new ATOM 0 HE ARG A 4 -9.840 -15.949 44.311 1.00 11.55 H new ATOM 0 HH11 ARG A 4 -7.386 -13.836 45.740 1.00 3.51 H new ATOM 0 HH12 ARG A 4 -8.555 -12.973 46.744 1.00 3.51 H new ATOM 0 HH21 ARG A 4 -11.324 -14.822 45.602 1.00 22.33 H new ATOM 0 HH22 ARG A 4 -10.767 -13.526 46.666 1.00 22.33 H new ATOM 62 N THR A 5 -8.472 -19.573 39.978 1.00 61.43 N ATOM 63 CA THR A 5 -8.932 -19.459 38.596 1.00 75.42 C ATOM 64 C THR A 5 -10.383 -18.994 38.540 1.00 53.15 C ATOM 65 O THR A 5 -11.280 -19.663 39.054 1.00 32.22 O ATOM 66 CB THR A 5 -8.789 -20.801 37.876 1.00 2.14 C ATOM 67 OG1 THR A 5 -7.539 -21.401 38.170 1.00 3.05 O ATOM 68 CG2 THR A 5 -8.901 -20.684 36.371 1.00 34.41 C ATOM 0 H THR A 5 -8.650 -20.481 40.408 1.00 61.43 H new ATOM 0 HA THR A 5 -8.311 -18.716 38.095 1.00 75.42 H new ATOM 0 HB THR A 5 -9.613 -21.414 38.241 1.00 2.14 H new ATOM 0 HG1 THR A 5 -7.469 -22.259 37.701 1.00 3.05 H new ATOM 0 HG21 THR A 5 -8.791 -21.670 35.920 1.00 34.41 H new ATOM 0 HG22 THR A 5 -9.876 -20.272 36.110 1.00 34.41 H new ATOM 0 HG23 THR A 5 -8.117 -20.025 35.998 1.00 34.41 H new ATOM 76 N ILE A 6 -10.608 -17.844 37.910 1.00 1.53 N ATOM 77 CA ILE A 6 -11.952 -17.292 37.785 1.00 33.41 C ATOM 78 C ILE A 6 -12.703 -17.930 36.622 1.00 11.10 C ATOM 79 O ILE A 6 -12.164 -18.778 35.914 1.00 72.21 O ATOM 80 CB ILE A 6 -11.919 -15.762 37.583 1.00 12.34 C ATOM 81 CG1 ILE A 6 -11.277 -15.409 36.235 1.00 14.45 C ATOM 82 CG2 ILE A 6 -11.172 -15.091 38.727 1.00 42.42 C ATOM 83 CD1 ILE A 6 -11.610 -14.014 35.752 1.00 23.21 C ATOM 0 H ILE A 6 -9.877 -17.278 37.479 1.00 1.53 H new ATOM 0 HA ILE A 6 -12.471 -17.516 38.717 1.00 33.41 H new ATOM 0 HB ILE A 6 -12.944 -15.392 37.579 1.00 12.34 H new ATOM 0 HG12 ILE A 6 -10.195 -15.506 36.321 1.00 14.45 H new ATOM 0 HG13 ILE A 6 -11.603 -16.131 35.487 1.00 14.45 H new ATOM 0 HG21 ILE A 6 -11.158 -14.013 38.569 1.00 42.42 H new ATOM 0 HG22 ILE A 6 -11.673 -15.313 39.669 1.00 42.42 H new ATOM 0 HG23 ILE A 6 -10.149 -15.466 38.763 1.00 42.42 H new ATOM 0 HD11 ILE A 6 -11.122 -13.835 34.794 1.00 23.21 H new ATOM 0 HD12 ILE A 6 -12.689 -13.918 35.633 1.00 23.21 H new ATOM 0 HD13 ILE A 6 -11.259 -13.283 36.481 1.00 23.21 H new ATOM 95 N PHE A 7 -13.947 -17.507 36.426 1.00 13.34 N ATOM 96 CA PHE A 7 -14.773 -18.025 35.343 1.00 50.22 C ATOM 97 C PHE A 7 -15.031 -16.940 34.301 1.00 42.14 C ATOM 98 O PHE A 7 -15.934 -16.120 34.457 1.00 72.41 O ATOM 99 CB PHE A 7 -16.103 -18.552 35.889 1.00 50.24 C ATOM 100 CG PHE A 7 -16.757 -19.568 34.996 1.00 70.43 C ATOM 101 CD1 PHE A 7 -16.223 -20.838 34.863 1.00 13.11 C ATOM 102 CD2 PHE A 7 -17.908 -19.249 34.291 1.00 40.51 C ATOM 103 CE1 PHE A 7 -16.824 -21.774 34.042 1.00 14.44 C ATOM 104 CE2 PHE A 7 -18.511 -20.181 33.468 1.00 31.12 C ATOM 105 CZ PHE A 7 -17.969 -21.446 33.345 1.00 21.53 C ATOM 0 H PHE A 7 -14.406 -16.804 37.005 1.00 13.34 H new ATOM 0 HA PHE A 7 -14.237 -18.847 34.868 1.00 50.22 H new ATOM 0 HB2 PHE A 7 -15.933 -18.997 36.869 1.00 50.24 H new ATOM 0 HB3 PHE A 7 -16.785 -17.714 36.033 1.00 50.24 H new ATOM 0 HD1 PHE A 7 -15.327 -21.101 35.406 1.00 13.11 H new ATOM 0 HD2 PHE A 7 -18.337 -18.263 34.386 1.00 40.51 H new ATOM 0 HE1 PHE A 7 -16.398 -22.762 33.946 1.00 14.44 H new ATOM 0 HE2 PHE A 7 -19.405 -19.921 32.921 1.00 31.12 H new ATOM 0 HZ PHE A 7 -18.441 -22.177 32.705 1.00 21.53 H new ATOM 115 N CYS A 8 -14.230 -16.942 33.238 1.00 31.32 N ATOM 116 CA CYS A 8 -14.375 -15.953 32.175 1.00 54.41 C ATOM 117 C CYS A 8 -15.768 -16.026 31.553 1.00 65.22 C ATOM 118 O CYS A 8 -16.383 -17.091 31.515 1.00 34.32 O ATOM 119 CB CYS A 8 -13.314 -16.180 31.097 1.00 24.25 C ATOM 120 SG CYS A 8 -13.171 -14.829 29.902 1.00 51.15 S ATOM 0 H CYS A 8 -13.477 -17.615 33.091 1.00 31.32 H new ATOM 0 HA CYS A 8 -14.240 -14.963 32.610 1.00 54.41 H new ATOM 0 HB2 CYS A 8 -12.348 -16.327 31.579 1.00 24.25 H new ATOM 0 HB3 CYS A 8 -13.547 -17.101 30.562 1.00 24.25 H new ATOM 0 HG CYS A 8 -11.950 -14.382 29.896 1.00 51.15 H new ATOM 126 N THR A 9 -16.257 -14.892 31.060 1.00 52.25 N ATOM 127 CA THR A 9 -17.573 -14.841 30.432 1.00 12.21 C ATOM 128 C THR A 9 -17.450 -14.832 28.909 1.00 43.22 C ATOM 129 O THR A 9 -18.389 -15.198 28.200 1.00 73.23 O ATOM 130 CB THR A 9 -18.350 -13.612 30.908 1.00 25.02 C ATOM 131 OG1 THR A 9 -19.680 -13.644 30.425 1.00 2.15 O ATOM 132 CG2 THR A 9 -17.732 -12.305 30.467 1.00 1.45 C ATOM 0 H THR A 9 -15.764 -13.999 31.083 1.00 52.25 H new ATOM 0 HA THR A 9 -18.121 -15.736 30.727 1.00 12.21 H new ATOM 0 HB THR A 9 -18.324 -13.657 31.997 1.00 25.02 H new ATOM 0 HG1 THR A 9 -20.162 -12.851 30.741 1.00 2.15 H new ATOM 0 HG21 THR A 9 -18.333 -11.475 30.838 1.00 1.45 H new ATOM 0 HG22 THR A 9 -16.721 -12.228 30.866 1.00 1.45 H new ATOM 0 HG23 THR A 9 -17.696 -12.268 29.378 1.00 1.45 H new ATOM 140 N PHE A 10 -16.286 -14.420 28.412 1.00 65.32 N ATOM 141 CA PHE A 10 -16.041 -14.374 26.974 1.00 62.40 C ATOM 142 C PHE A 10 -15.841 -15.785 26.439 1.00 73.04 C ATOM 143 O PHE A 10 -16.438 -16.173 25.435 1.00 1.33 O ATOM 144 CB PHE A 10 -14.807 -13.516 26.674 1.00 25.33 C ATOM 145 CG PHE A 10 -14.402 -13.517 25.227 1.00 64.10 C ATOM 146 CD1 PHE A 10 -15.314 -13.183 24.241 1.00 61.21 C ATOM 147 CD2 PHE A 10 -13.110 -13.849 24.852 1.00 62.10 C ATOM 148 CE1 PHE A 10 -14.945 -13.178 22.910 1.00 51.44 C ATOM 149 CE2 PHE A 10 -12.735 -13.845 23.523 1.00 3.30 C ATOM 150 CZ PHE A 10 -13.654 -13.508 22.549 1.00 24.22 C ATOM 0 H PHE A 10 -15.499 -14.114 28.984 1.00 65.32 H new ATOM 0 HA PHE A 10 -16.904 -13.926 26.482 1.00 62.40 H new ATOM 0 HB2 PHE A 10 -15.005 -12.490 26.985 1.00 25.33 H new ATOM 0 HB3 PHE A 10 -13.972 -13.875 27.275 1.00 25.33 H new ATOM 0 HD1 PHE A 10 -16.326 -12.923 24.515 1.00 61.21 H new ATOM 0 HD2 PHE A 10 -12.387 -14.114 25.609 1.00 62.10 H new ATOM 0 HE1 PHE A 10 -15.667 -12.916 22.151 1.00 51.44 H new ATOM 0 HE2 PHE A 10 -11.724 -14.105 23.246 1.00 3.30 H new ATOM 0 HZ PHE A 10 -13.364 -13.503 21.509 1.00 24.22 H new ATOM 160 N LEU A 11 -15.003 -16.546 27.127 1.00 73.11 N ATOM 161 CA LEU A 11 -14.724 -17.921 26.741 1.00 31.00 C ATOM 162 C LEU A 11 -15.713 -18.881 27.395 1.00 73.10 C ATOM 163 O LEU A 11 -15.854 -20.029 26.971 1.00 62.15 O ATOM 164 CB LEU A 11 -13.298 -18.301 27.135 1.00 1.01 C ATOM 165 CG LEU A 11 -12.241 -17.237 26.837 1.00 4.35 C ATOM 166 CD1 LEU A 11 -11.063 -17.375 27.788 1.00 41.20 C ATOM 167 CD2 LEU A 11 -11.782 -17.341 25.389 1.00 2.01 C ATOM 0 H LEU A 11 -14.503 -16.233 27.959 1.00 73.11 H new ATOM 0 HA LEU A 11 -14.830 -17.997 25.659 1.00 31.00 H new ATOM 0 HB2 LEU A 11 -13.279 -18.522 28.202 1.00 1.01 H new ATOM 0 HB3 LEU A 11 -13.025 -19.219 26.614 1.00 1.01 H new ATOM 0 HG LEU A 11 -12.684 -16.253 26.987 1.00 4.35 H new ATOM 0 HD11 LEU A 11 -10.321 -16.610 27.561 1.00 41.20 H new ATOM 0 HD12 LEU A 11 -11.408 -17.253 28.815 1.00 41.20 H new ATOM 0 HD13 LEU A 11 -10.614 -18.362 27.671 1.00 41.20 H new ATOM 0 HD21 LEU A 11 -11.030 -16.578 25.190 1.00 2.01 H new ATOM 0 HD22 LEU A 11 -11.353 -18.328 25.213 1.00 2.01 H new ATOM 0 HD23 LEU A 11 -12.634 -17.192 24.726 1.00 2.01 H new ATOM 179 N GLN A 12 -16.390 -18.405 28.436 1.00 23.53 N ATOM 180 CA GLN A 12 -17.356 -19.221 29.156 1.00 23.44 C ATOM 181 C GLN A 12 -16.663 -20.421 29.790 1.00 25.43 C ATOM 182 O GLN A 12 -17.199 -21.529 29.804 1.00 51.41 O ATOM 183 CB GLN A 12 -18.472 -19.686 28.217 1.00 53.11 C ATOM 184 CG GLN A 12 -19.665 -18.745 28.178 1.00 64.42 C ATOM 185 CD GLN A 12 -20.257 -18.492 29.550 1.00 42.33 C ATOM 186 OE1 GLN A 12 -20.888 -19.370 30.140 1.00 24.32 O ATOM 187 NE2 GLN A 12 -20.060 -17.285 30.066 1.00 71.40 N ATOM 0 H GLN A 12 -16.286 -17.457 28.798 1.00 23.53 H new ATOM 0 HA GLN A 12 -17.801 -18.616 29.946 1.00 23.44 H new ATOM 0 HB2 GLN A 12 -18.068 -19.790 27.210 1.00 53.11 H new ATOM 0 HB3 GLN A 12 -18.809 -20.675 28.529 1.00 53.11 H new ATOM 0 HG2 GLN A 12 -19.359 -17.796 27.738 1.00 64.42 H new ATOM 0 HG3 GLN A 12 -20.432 -19.165 27.528 1.00 64.42 H new ATOM 0 HE21 GLN A 12 -19.531 -16.587 29.543 1.00 71.40 H new ATOM 0 HE22 GLN A 12 -20.437 -17.056 30.985 1.00 71.40 H new ATOM 196 N ARG A 13 -15.469 -20.183 30.325 1.00 31.42 N ATOM 197 CA ARG A 13 -14.693 -21.231 30.977 1.00 30.23 C ATOM 198 C ARG A 13 -14.039 -20.688 32.245 1.00 63.10 C ATOM 199 O ARG A 13 -14.346 -19.580 32.686 1.00 64.23 O ATOM 200 CB ARG A 13 -13.608 -21.784 30.041 1.00 73.20 C ATOM 201 CG ARG A 13 -13.826 -21.474 28.566 1.00 72.11 C ATOM 202 CD ARG A 13 -12.710 -22.064 27.715 1.00 24.42 C ATOM 203 NE ARG A 13 -12.686 -21.504 26.366 1.00 51.31 N ATOM 204 CZ ARG A 13 -13.472 -21.919 25.375 1.00 21.21 C ATOM 205 NH1 ARG A 13 -14.358 -22.885 25.579 1.00 22.03 N ATOM 206 NH2 ARG A 13 -13.372 -21.366 24.174 1.00 63.21 N ATOM 0 H ARG A 13 -15.017 -19.269 30.319 1.00 31.42 H new ATOM 0 HA ARG A 13 -15.376 -22.041 31.233 1.00 30.23 H new ATOM 0 HB2 ARG A 13 -12.643 -21.379 30.345 1.00 73.20 H new ATOM 0 HB3 ARG A 13 -13.554 -22.865 30.168 1.00 73.20 H new ATOM 0 HG2 ARG A 13 -14.786 -21.877 28.244 1.00 72.11 H new ATOM 0 HG3 ARG A 13 -13.868 -20.395 28.420 1.00 72.11 H new ATOM 0 HD2 ARG A 13 -11.751 -21.880 28.199 1.00 24.42 H new ATOM 0 HD3 ARG A 13 -12.835 -23.145 27.655 1.00 24.42 H new ATOM 0 HE ARG A 13 -12.027 -20.750 26.172 1.00 51.31 H new ATOM 0 HH11 ARG A 13 -14.441 -23.315 26.500 1.00 22.03 H new ATOM 0 HH12 ARG A 13 -14.957 -23.198 24.815 1.00 22.03 H new ATOM 0 HH21 ARG A 13 -12.693 -20.623 24.010 1.00 63.21 H new ATOM 0 HH22 ARG A 13 -13.974 -21.684 23.414 1.00 63.21 H new ATOM 220 N GLU A 14 -13.134 -21.468 32.824 1.00 1.13 N ATOM 221 CA GLU A 14 -12.433 -21.055 34.036 1.00 34.13 C ATOM 222 C GLU A 14 -10.967 -20.759 33.736 1.00 14.15 C ATOM 223 O GLU A 14 -10.206 -21.658 33.380 1.00 14.24 O ATOM 224 CB GLU A 14 -12.541 -22.136 35.115 1.00 13.12 C ATOM 225 CG GLU A 14 -12.767 -21.580 36.512 1.00 33.02 C ATOM 226 CD GLU A 14 -13.610 -22.497 37.376 1.00 62.23 C ATOM 227 OE1 GLU A 14 -14.849 -22.488 37.219 1.00 33.53 O ATOM 228 OE2 GLU A 14 -13.031 -23.223 38.212 1.00 65.42 O ATOM 0 H GLU A 14 -12.868 -22.389 32.475 1.00 1.13 H new ATOM 0 HA GLU A 14 -12.903 -20.144 34.405 1.00 34.13 H new ATOM 0 HB2 GLU A 14 -13.361 -22.808 34.863 1.00 13.12 H new ATOM 0 HB3 GLU A 14 -11.628 -22.732 35.113 1.00 13.12 H new ATOM 0 HG2 GLU A 14 -11.803 -21.417 36.994 1.00 33.02 H new ATOM 0 HG3 GLU A 14 -13.254 -20.608 36.438 1.00 33.02 H new ATOM 235 N ALA A 15 -10.580 -19.495 33.877 1.00 12.03 N ATOM 236 CA ALA A 15 -9.203 -19.087 33.613 1.00 21.22 C ATOM 237 C ALA A 15 -8.669 -18.173 34.712 1.00 54.41 C ATOM 238 O ALA A 15 -9.423 -17.690 35.556 1.00 2.04 O ATOM 239 CB ALA A 15 -9.110 -18.396 32.261 1.00 50.14 C ATOM 0 H ALA A 15 -11.197 -18.738 34.171 1.00 12.03 H new ATOM 0 HA ALA A 15 -8.586 -19.985 33.599 1.00 21.22 H new ATOM 0 HB1 ALA A 15 -8.078 -18.097 32.076 1.00 50.14 H new ATOM 0 HB2 ALA A 15 -9.435 -19.082 31.479 1.00 50.14 H new ATOM 0 HB3 ALA A 15 -9.750 -17.514 32.259 1.00 50.14 H new ATOM 245 N GLU A 16 -7.359 -17.942 34.690 1.00 3.04 N ATOM 246 CA GLU A 16 -6.709 -17.087 35.678 1.00 72.43 C ATOM 247 C GLU A 16 -7.347 -15.700 35.708 1.00 31.24 C ATOM 248 O GLU A 16 -8.116 -15.342 34.819 1.00 54.24 O ATOM 249 CB GLU A 16 -5.215 -16.965 35.371 1.00 40.45 C ATOM 250 CG GLU A 16 -4.924 -16.268 34.052 1.00 2.55 C ATOM 251 CD GLU A 16 -3.791 -16.919 33.283 1.00 45.03 C ATOM 252 OE1 GLU A 16 -2.954 -17.596 33.917 1.00 44.31 O ATOM 253 OE2 GLU A 16 -3.740 -16.751 32.046 1.00 45.02 O ATOM 0 H GLU A 16 -6.725 -18.337 33.996 1.00 3.04 H new ATOM 0 HA GLU A 16 -6.838 -17.546 36.658 1.00 72.43 H new ATOM 0 HB2 GLU A 16 -4.730 -16.416 36.178 1.00 40.45 H new ATOM 0 HB3 GLU A 16 -4.773 -17.961 35.352 1.00 40.45 H new ATOM 0 HG2 GLU A 16 -5.824 -16.272 33.437 1.00 2.55 H new ATOM 0 HG3 GLU A 16 -4.674 -15.225 34.245 1.00 2.55 H new ATOM 260 N GLY A 17 -7.016 -14.926 36.737 1.00 52.13 N ATOM 261 CA GLY A 17 -7.563 -13.588 36.863 1.00 51.12 C ATOM 262 C GLY A 17 -6.481 -12.528 36.955 1.00 22.35 C ATOM 263 O GLY A 17 -5.371 -12.803 37.410 1.00 53.22 O ATOM 0 H GLY A 17 -6.379 -15.201 37.485 1.00 52.13 H new ATOM 0 HA2 GLY A 17 -8.202 -13.377 36.006 1.00 51.12 H new ATOM 0 HA3 GLY A 17 -8.193 -13.538 37.751 1.00 51.12 H new ATOM 267 N GLN A 18 -6.805 -11.316 36.520 1.00 21.14 N ATOM 268 CA GLN A 18 -5.853 -10.212 36.555 1.00 54.11 C ATOM 269 C GLN A 18 -5.577 -9.777 37.991 1.00 43.52 C ATOM 270 O GLN A 18 -6.350 -10.080 38.902 1.00 15.54 O ATOM 271 CB GLN A 18 -6.382 -9.031 35.741 1.00 11.52 C ATOM 272 CG GLN A 18 -6.702 -9.385 34.298 1.00 53.05 C ATOM 273 CD GLN A 18 -8.173 -9.685 34.082 1.00 62.42 C ATOM 274 OE1 GLN A 18 -8.757 -10.521 34.772 1.00 1.12 O ATOM 275 NE2 GLN A 18 -8.781 -8.999 33.121 1.00 14.32 N ATOM 0 H GLN A 18 -7.719 -11.073 36.139 1.00 21.14 H new ATOM 0 HA GLN A 18 -4.917 -10.556 36.115 1.00 54.11 H new ATOM 0 HB2 GLN A 18 -7.281 -8.644 36.220 1.00 11.52 H new ATOM 0 HB3 GLN A 18 -5.643 -8.230 35.755 1.00 11.52 H new ATOM 0 HG2 GLN A 18 -6.405 -8.560 33.651 1.00 53.05 H new ATOM 0 HG3 GLN A 18 -6.111 -10.251 34.001 1.00 53.05 H new ATOM 0 HE21 GLN A 18 -8.258 -8.315 32.573 1.00 14.32 H new ATOM 0 HE22 GLN A 18 -9.771 -9.156 32.931 1.00 14.32 H new ATOM 284 N ASP A 19 -4.473 -9.065 38.187 1.00 30.30 N ATOM 285 CA ASP A 19 -4.097 -8.589 39.513 1.00 31.15 C ATOM 286 C ASP A 19 -4.672 -7.203 39.778 1.00 54.34 C ATOM 287 O ASP A 19 -5.036 -6.876 40.908 1.00 62.12 O ATOM 288 CB ASP A 19 -2.574 -8.558 39.653 1.00 61.25 C ATOM 289 CG ASP A 19 -1.997 -9.923 39.967 1.00 4.21 C ATOM 290 OD1 ASP A 19 -2.687 -10.932 39.711 1.00 63.02 O ATOM 291 OD2 ASP A 19 -0.856 -9.983 40.471 1.00 32.45 O ATOM 0 H ASP A 19 -3.823 -8.805 37.445 1.00 30.30 H new ATOM 0 HA ASP A 19 -4.509 -9.279 40.249 1.00 31.15 H new ATOM 0 HB2 ASP A 19 -2.134 -8.184 38.728 1.00 61.25 H new ATOM 0 HB3 ASP A 19 -2.298 -7.859 40.443 1.00 61.25 H new ATOM 296 N PHE A 20 -4.754 -6.391 38.730 1.00 75.50 N ATOM 297 CA PHE A 20 -5.286 -5.041 38.855 1.00 61.11 C ATOM 298 C PHE A 20 -6.167 -4.685 37.664 1.00 11.10 C ATOM 299 O PHE A 20 -5.996 -5.220 36.569 1.00 10.14 O ATOM 300 CB PHE A 20 -4.146 -4.030 38.985 1.00 42.10 C ATOM 301 CG PHE A 20 -3.141 -4.105 37.871 1.00 20.33 C ATOM 302 CD1 PHE A 20 -3.303 -3.348 36.721 1.00 53.11 C ATOM 303 CD2 PHE A 20 -2.033 -4.931 37.975 1.00 62.20 C ATOM 304 CE1 PHE A 20 -2.379 -3.413 35.695 1.00 13.12 C ATOM 305 CE2 PHE A 20 -1.105 -4.999 36.953 1.00 64.11 C ATOM 306 CZ PHE A 20 -1.278 -4.239 35.812 1.00 51.01 C ATOM 0 H PHE A 20 -4.459 -6.644 37.787 1.00 75.50 H new ATOM 0 HA PHE A 20 -5.899 -5.004 39.756 1.00 61.11 H new ATOM 0 HB2 PHE A 20 -4.566 -3.025 39.016 1.00 42.10 H new ATOM 0 HB3 PHE A 20 -3.635 -4.192 39.934 1.00 42.10 H new ATOM 0 HD1 PHE A 20 -4.161 -2.700 36.626 1.00 53.11 H new ATOM 0 HD2 PHE A 20 -1.893 -5.528 38.864 1.00 62.20 H new ATOM 0 HE1 PHE A 20 -2.518 -2.819 34.804 1.00 13.12 H new ATOM 0 HE2 PHE A 20 -0.245 -5.646 37.046 1.00 64.11 H new ATOM 0 HZ PHE A 20 -0.553 -4.291 35.013 1.00 51.01 H new ATOM 316 N GLN A 21 -7.111 -3.779 37.890 1.00 15.34 N ATOM 317 CA GLN A 21 -8.025 -3.345 36.843 1.00 22.42 C ATOM 318 C GLN A 21 -7.287 -2.548 35.770 1.00 75.54 C ATOM 319 O GLN A 21 -6.716 -1.495 36.051 1.00 3.30 O ATOM 320 CB GLN A 21 -9.141 -2.492 37.449 1.00 41.11 C ATOM 321 CG GLN A 21 -10.459 -2.584 36.703 1.00 63.45 C ATOM 322 CD GLN A 21 -11.591 -1.909 37.451 1.00 14.32 C ATOM 323 OE1 GLN A 21 -11.939 -2.310 38.559 1.00 21.41 O ATOM 324 NE2 GLN A 21 -12.167 -0.873 36.850 1.00 51.02 N ATOM 0 H GLN A 21 -7.263 -3.330 38.793 1.00 15.34 H new ATOM 0 HA GLN A 21 -8.457 -4.230 36.376 1.00 22.42 H new ATOM 0 HB2 GLN A 21 -9.298 -2.798 38.483 1.00 41.11 H new ATOM 0 HB3 GLN A 21 -8.819 -1.451 37.470 1.00 41.11 H new ATOM 0 HG2 GLN A 21 -10.351 -2.125 35.720 1.00 63.45 H new ATOM 0 HG3 GLN A 21 -10.709 -3.632 36.539 1.00 63.45 H new ATOM 0 HE21 GLN A 21 -11.846 -0.574 35.929 1.00 51.02 H new ATOM 0 HE22 GLN A 21 -12.930 -0.377 37.310 1.00 51.02 H new ATOM 333 N LEU A 22 -7.309 -3.055 34.542 1.00 10.45 N ATOM 334 CA LEU A 22 -6.647 -2.384 33.430 1.00 4.02 C ATOM 335 C LEU A 22 -7.526 -1.265 32.885 1.00 35.51 C ATOM 336 O LEU A 22 -7.030 -0.223 32.457 1.00 71.53 O ATOM 337 CB LEU A 22 -6.311 -3.391 32.328 1.00 12.14 C ATOM 338 CG LEU A 22 -5.730 -4.717 32.824 1.00 25.31 C ATOM 339 CD1 LEU A 22 -5.292 -5.580 31.651 1.00 12.30 C ATOM 340 CD2 LEU A 22 -4.563 -4.471 33.768 1.00 4.03 C ATOM 0 H LEU A 22 -7.777 -3.926 34.292 1.00 10.45 H new ATOM 0 HA LEU A 22 -5.717 -1.944 33.791 1.00 4.02 H new ATOM 0 HB2 LEU A 22 -7.216 -3.598 31.757 1.00 12.14 H new ATOM 0 HB3 LEU A 22 -5.599 -2.933 31.642 1.00 12.14 H new ATOM 0 HG LEU A 22 -6.509 -5.248 33.371 1.00 25.31 H new ATOM 0 HD11 LEU A 22 -4.882 -6.519 32.023 1.00 12.30 H new ATOM 0 HD12 LEU A 22 -6.150 -5.787 31.011 1.00 12.30 H new ATOM 0 HD13 LEU A 22 -4.530 -5.053 31.076 1.00 12.30 H new ATOM 0 HD21 LEU A 22 -4.164 -5.426 34.110 1.00 4.03 H new ATOM 0 HD22 LEU A 22 -3.783 -3.918 33.245 1.00 4.03 H new ATOM 0 HD23 LEU A 22 -4.905 -3.893 34.626 1.00 4.03 H new ATOM 352 N TYR A 23 -8.839 -1.480 32.922 1.00 34.05 N ATOM 353 CA TYR A 23 -9.793 -0.483 32.448 1.00 23.50 C ATOM 354 C TYR A 23 -10.344 0.315 33.631 1.00 25.40 C ATOM 355 O TYR A 23 -10.173 -0.077 34.785 1.00 43.13 O ATOM 356 CB TYR A 23 -10.935 -1.152 31.684 1.00 63.45 C ATOM 357 CG TYR A 23 -11.077 -0.671 30.259 1.00 52.33 C ATOM 358 CD1 TYR A 23 -9.975 -0.576 29.421 1.00 65.42 C ATOM 359 CD2 TYR A 23 -12.318 -0.314 29.756 1.00 4.51 C ATOM 360 CE1 TYR A 23 -10.108 -0.134 28.118 1.00 33.35 C ATOM 361 CE2 TYR A 23 -12.461 0.129 28.458 1.00 71.50 C ATOM 362 CZ TYR A 23 -11.353 0.218 27.642 1.00 12.35 C ATOM 363 OH TYR A 23 -11.493 0.657 26.344 1.00 2.05 O ATOM 0 H TYR A 23 -9.266 -2.336 33.276 1.00 34.05 H new ATOM 0 HA TYR A 23 -9.278 0.197 31.769 1.00 23.50 H new ATOM 0 HB2 TYR A 23 -10.775 -2.230 31.680 1.00 63.45 H new ATOM 0 HB3 TYR A 23 -11.870 -0.971 32.214 1.00 63.45 H new ATOM 0 HD1 TYR A 23 -8.999 -0.851 29.792 1.00 65.42 H new ATOM 0 HD2 TYR A 23 -13.188 -0.384 30.392 1.00 4.51 H new ATOM 0 HE1 TYR A 23 -9.242 -0.065 27.477 1.00 33.35 H new ATOM 0 HE2 TYR A 23 -13.435 0.405 28.083 1.00 71.50 H new ATOM 0 HH TYR A 23 -12.435 0.863 26.168 1.00 2.05 H new ATOM 373 N PRO A 24 -10.993 1.459 33.363 1.00 32.24 N ATOM 374 CA PRO A 24 -11.543 2.325 34.403 1.00 11.05 C ATOM 375 C PRO A 24 -13.013 2.056 34.707 1.00 1.33 C ATOM 376 O PRO A 24 -13.608 1.106 34.195 1.00 21.12 O ATOM 377 CB PRO A 24 -11.404 3.687 33.745 1.00 65.33 C ATOM 378 CG PRO A 24 -11.781 3.410 32.330 1.00 43.20 C ATOM 379 CD PRO A 24 -11.224 2.035 32.022 1.00 63.42 C ATOM 0 HA PRO A 24 -11.040 2.196 35.362 1.00 11.05 H new ATOM 0 HB2 PRO A 24 -12.062 4.426 34.202 1.00 65.33 H new ATOM 0 HB3 PRO A 24 -10.388 4.073 33.825 1.00 65.33 H new ATOM 0 HG2 PRO A 24 -12.863 3.433 32.201 1.00 43.20 H new ATOM 0 HG3 PRO A 24 -11.364 4.161 31.659 1.00 43.20 H new ATOM 0 HD2 PRO A 24 -11.926 1.436 31.442 1.00 63.42 H new ATOM 0 HD3 PRO A 24 -10.302 2.094 31.444 1.00 63.42 H new ATOM 387 N GLY A 25 -13.590 2.925 35.531 1.00 62.31 N ATOM 388 CA GLY A 25 -14.991 2.822 35.898 1.00 55.53 C ATOM 389 C GLY A 25 -15.450 1.410 36.198 1.00 61.45 C ATOM 390 O GLY A 25 -14.717 0.616 36.788 1.00 31.03 O ATOM 0 H GLY A 25 -13.102 3.712 35.958 1.00 62.31 H new ATOM 0 HA2 GLY A 25 -15.173 3.445 36.774 1.00 55.53 H new ATOM 0 HA3 GLY A 25 -15.598 3.225 35.088 1.00 55.53 H new ATOM 394 N GLU A 26 -16.680 1.110 35.795 1.00 34.32 N ATOM 395 CA GLU A 26 -17.271 -0.204 36.024 1.00 25.33 C ATOM 396 C GLU A 26 -16.796 -1.208 34.987 1.00 14.12 C ATOM 397 O GLU A 26 -16.556 -2.375 35.302 1.00 61.02 O ATOM 398 CB GLU A 26 -18.799 -0.115 35.986 1.00 60.13 C ATOM 399 CG GLU A 26 -19.413 0.431 37.263 1.00 32.34 C ATOM 400 CD GLU A 26 -20.675 1.231 37.003 1.00 53.51 C ATOM 401 OE1 GLU A 26 -21.706 0.618 36.657 1.00 44.40 O ATOM 402 OE2 GLU A 26 -20.630 2.472 37.143 1.00 61.30 O ATOM 0 H GLU A 26 -17.291 1.764 35.305 1.00 34.32 H new ATOM 0 HA GLU A 26 -16.951 -0.544 37.009 1.00 25.33 H new ATOM 0 HB2 GLU A 26 -19.096 0.519 35.151 1.00 60.13 H new ATOM 0 HB3 GLU A 26 -19.207 -1.107 35.793 1.00 60.13 H new ATOM 0 HG2 GLU A 26 -19.643 -0.396 37.935 1.00 32.34 H new ATOM 0 HG3 GLU A 26 -18.685 1.062 37.772 1.00 32.34 H new ATOM 409 N LEU A 27 -16.664 -0.752 33.746 1.00 43.20 N ATOM 410 CA LEU A 27 -16.217 -1.617 32.664 1.00 70.03 C ATOM 411 C LEU A 27 -14.948 -2.359 33.059 1.00 3.24 C ATOM 412 O LEU A 27 -14.891 -3.586 32.999 1.00 43.43 O ATOM 413 CB LEU A 27 -15.972 -0.807 31.391 1.00 42.54 C ATOM 414 CG LEU A 27 -16.516 -1.434 30.104 1.00 51.12 C ATOM 415 CD1 LEU A 27 -16.118 -2.901 30.000 1.00 14.22 C ATOM 416 CD2 LEU A 27 -18.030 -1.284 30.037 1.00 51.13 C ATOM 0 H LEU A 27 -16.860 0.209 33.466 1.00 43.20 H new ATOM 0 HA LEU A 27 -17.004 -2.346 32.469 1.00 70.03 H new ATOM 0 HB2 LEU A 27 -16.422 0.178 31.514 1.00 42.54 H new ATOM 0 HB3 LEU A 27 -14.899 -0.656 31.277 1.00 42.54 H new ATOM 0 HG LEU A 27 -16.077 -0.905 29.258 1.00 51.12 H new ATOM 0 HD11 LEU A 27 -16.517 -3.322 29.077 1.00 14.22 H new ATOM 0 HD12 LEU A 27 -15.031 -2.984 29.996 1.00 14.22 H new ATOM 0 HD13 LEU A 27 -16.521 -3.449 30.852 1.00 14.22 H new ATOM 0 HD21 LEU A 27 -18.400 -1.735 29.116 1.00 51.13 H new ATOM 0 HD22 LEU A 27 -18.483 -1.783 30.893 1.00 51.13 H new ATOM 0 HD23 LEU A 27 -18.292 -0.226 30.054 1.00 51.13 H new ATOM 428 N GLY A 28 -13.932 -1.616 33.474 1.00 3.43 N ATOM 429 CA GLY A 28 -12.692 -2.241 33.879 1.00 70.33 C ATOM 430 C GLY A 28 -12.909 -3.228 35.003 1.00 53.45 C ATOM 431 O GLY A 28 -12.214 -4.239 35.095 1.00 64.53 O ATOM 0 H GLY A 28 -13.944 -0.598 33.537 1.00 3.43 H new ATOM 0 HA2 GLY A 28 -12.246 -2.752 33.026 1.00 70.33 H new ATOM 0 HA3 GLY A 28 -11.985 -1.475 34.198 1.00 70.33 H new ATOM 435 N LYS A 29 -13.896 -2.945 35.848 1.00 41.30 N ATOM 436 CA LYS A 29 -14.219 -3.828 36.958 1.00 11.31 C ATOM 437 C LYS A 29 -14.680 -5.184 36.434 1.00 74.12 C ATOM 438 O LYS A 29 -14.118 -6.217 36.789 1.00 50.10 O ATOM 439 CB LYS A 29 -15.309 -3.203 37.840 1.00 13.40 C ATOM 440 CG LYS A 29 -14.893 -3.024 39.292 1.00 74.43 C ATOM 441 CD LYS A 29 -15.848 -2.101 40.036 1.00 54.40 C ATOM 442 CE LYS A 29 -15.121 -1.280 41.090 1.00 33.14 C ATOM 443 NZ LYS A 29 -14.766 -2.093 42.285 1.00 73.52 N ATOM 0 H LYS A 29 -14.483 -2.113 35.784 1.00 41.30 H new ATOM 0 HA LYS A 29 -13.323 -3.970 37.562 1.00 11.31 H new ATOM 0 HB2 LYS A 29 -15.585 -2.232 37.428 1.00 13.40 H new ATOM 0 HB3 LYS A 29 -16.199 -3.830 37.801 1.00 13.40 H new ATOM 0 HG2 LYS A 29 -14.865 -3.995 39.786 1.00 74.43 H new ATOM 0 HG3 LYS A 29 -13.883 -2.616 39.335 1.00 74.43 H new ATOM 0 HD2 LYS A 29 -16.337 -1.433 39.327 1.00 54.40 H new ATOM 0 HD3 LYS A 29 -16.632 -2.692 40.510 1.00 54.40 H new ATOM 0 HE2 LYS A 29 -14.214 -0.857 40.658 1.00 33.14 H new ATOM 0 HE3 LYS A 29 -15.750 -0.443 41.395 1.00 33.14 H new ATOM 0 HZ1 LYS A 29 -14.272 -1.495 42.978 1.00 73.52 H new ATOM 0 HZ2 LYS A 29 -15.632 -2.477 42.714 1.00 73.52 H new ATOM 0 HZ3 LYS A 29 -14.145 -2.877 42.000 1.00 73.52 H new ATOM 457 N ARG A 30 -15.703 -5.167 35.584 1.00 14.42 N ATOM 458 CA ARG A 30 -16.242 -6.396 35.005 1.00 74.43 C ATOM 459 C ARG A 30 -15.180 -7.135 34.193 1.00 51.04 C ATOM 460 O ARG A 30 -15.085 -8.355 34.260 1.00 65.32 O ATOM 461 CB ARG A 30 -17.460 -6.095 34.132 1.00 42.34 C ATOM 462 CG ARG A 30 -17.196 -5.052 33.065 1.00 12.00 C ATOM 463 CD ARG A 30 -18.481 -4.620 32.375 1.00 64.35 C ATOM 464 NE ARG A 30 -19.392 -3.947 33.297 1.00 14.55 N ATOM 465 CZ ARG A 30 -20.687 -4.235 33.417 1.00 44.23 C ATOM 466 NH1 ARG A 30 -21.252 -5.154 32.643 1.00 71.24 N ATOM 467 NH2 ARG A 30 -21.422 -3.589 34.309 1.00 70.40 N ATOM 0 H ARG A 30 -16.176 -4.316 35.280 1.00 14.42 H new ATOM 0 HA ARG A 30 -16.553 -7.041 35.827 1.00 74.43 H new ATOM 0 HB2 ARG A 30 -17.791 -7.017 33.654 1.00 42.34 H new ATOM 0 HB3 ARG A 30 -18.277 -5.754 34.768 1.00 42.34 H new ATOM 0 HG2 ARG A 30 -16.714 -4.184 33.515 1.00 12.00 H new ATOM 0 HG3 ARG A 30 -16.503 -5.454 32.326 1.00 12.00 H new ATOM 0 HD2 ARG A 30 -18.242 -3.952 31.547 1.00 64.35 H new ATOM 0 HD3 ARG A 30 -18.975 -5.493 31.948 1.00 64.35 H new ATOM 0 HE ARG A 30 -19.012 -3.208 33.888 1.00 14.55 H new ATOM 0 HH11 ARG A 30 -20.693 -5.648 31.947 1.00 71.24 H new ATOM 0 HH12 ARG A 30 -22.245 -5.366 32.744 1.00 71.24 H new ATOM 0 HH21 ARG A 30 -20.996 -2.875 34.900 1.00 70.40 H new ATOM 0 HH22 ARG A 30 -22.414 -3.805 34.405 1.00 70.40 H new ATOM 481 N ILE A 31 -14.371 -6.399 33.432 1.00 42.52 N ATOM 482 CA ILE A 31 -13.312 -7.021 32.635 1.00 44.44 C ATOM 483 C ILE A 31 -12.342 -7.743 33.549 1.00 73.55 C ATOM 484 O ILE A 31 -12.199 -8.964 33.500 1.00 62.43 O ATOM 485 CB ILE A 31 -12.525 -5.983 31.807 1.00 54.41 C ATOM 486 CG1 ILE A 31 -13.467 -5.123 30.969 1.00 20.53 C ATOM 487 CG2 ILE A 31 -11.507 -6.672 30.912 1.00 14.54 C ATOM 488 CD1 ILE A 31 -12.945 -3.723 30.761 1.00 24.11 C ATOM 0 H ILE A 31 -14.426 -5.384 33.350 1.00 42.52 H new ATOM 0 HA ILE A 31 -13.791 -7.719 31.948 1.00 44.44 H new ATOM 0 HB ILE A 31 -11.995 -5.332 32.503 1.00 54.41 H new ATOM 0 HG12 ILE A 31 -13.620 -5.597 30.000 1.00 20.53 H new ATOM 0 HG13 ILE A 31 -14.440 -5.075 31.458 1.00 20.53 H new ATOM 0 HG21 ILE A 31 -10.963 -5.923 30.337 1.00 14.54 H new ATOM 0 HG22 ILE A 31 -10.806 -7.238 31.526 1.00 14.54 H new ATOM 0 HG23 ILE A 31 -12.021 -7.350 30.231 1.00 14.54 H new ATOM 0 HD11 ILE A 31 -13.655 -3.156 30.159 1.00 24.11 H new ATOM 0 HD12 ILE A 31 -12.818 -3.235 31.727 1.00 24.11 H new ATOM 0 HD13 ILE A 31 -11.985 -3.765 30.247 1.00 24.11 H new ATOM 500 N TYR A 32 -11.696 -6.965 34.398 1.00 64.50 N ATOM 501 CA TYR A 32 -10.746 -7.489 35.357 1.00 23.32 C ATOM 502 C TYR A 32 -11.404 -8.549 36.248 1.00 71.21 C ATOM 503 O TYR A 32 -10.715 -9.337 36.895 1.00 4.24 O ATOM 504 CB TYR A 32 -10.175 -6.330 36.186 1.00 61.31 C ATOM 505 CG TYR A 32 -9.858 -6.662 37.627 1.00 14.12 C ATOM 506 CD1 TYR A 32 -10.844 -6.607 38.602 1.00 20.14 C ATOM 507 CD2 TYR A 32 -8.572 -7.019 38.011 1.00 54.11 C ATOM 508 CE1 TYR A 32 -10.557 -6.898 39.923 1.00 50.43 C ATOM 509 CE2 TYR A 32 -8.276 -7.311 39.328 1.00 31.22 C ATOM 510 CZ TYR A 32 -9.272 -7.251 40.281 1.00 75.01 C ATOM 511 OH TYR A 32 -8.982 -7.538 41.595 1.00 23.44 O ATOM 0 H TYR A 32 -11.816 -5.953 34.441 1.00 64.50 H new ATOM 0 HA TYR A 32 -9.927 -7.978 34.830 1.00 23.32 H new ATOM 0 HB2 TYR A 32 -9.265 -5.974 35.704 1.00 61.31 H new ATOM 0 HB3 TYR A 32 -10.889 -5.506 36.168 1.00 61.31 H new ATOM 0 HD1 TYR A 32 -11.851 -6.333 38.325 1.00 20.14 H new ATOM 0 HD2 TYR A 32 -7.790 -7.069 37.267 1.00 54.11 H new ATOM 0 HE1 TYR A 32 -11.335 -6.849 40.671 1.00 50.43 H new ATOM 0 HE2 TYR A 32 -7.270 -7.585 39.610 1.00 31.22 H new ATOM 0 HH TYR A 32 -8.033 -7.769 41.678 1.00 23.44 H new ATOM 521 N ASN A 33 -12.740 -8.555 36.289 1.00 73.34 N ATOM 522 CA ASN A 33 -13.464 -9.520 37.122 1.00 54.32 C ATOM 523 C ASN A 33 -13.936 -10.751 36.340 1.00 71.34 C ATOM 524 O ASN A 33 -13.603 -11.882 36.693 1.00 44.01 O ATOM 525 CB ASN A 33 -14.671 -8.855 37.790 1.00 0.31 C ATOM 526 CG ASN A 33 -14.363 -8.365 39.192 1.00 15.51 C ATOM 527 OD1 ASN A 33 -14.538 -9.094 40.168 1.00 33.41 O ATOM 528 ND2 ASN A 33 -13.906 -7.123 39.301 1.00 61.25 N ATOM 0 H ASN A 33 -13.334 -7.913 35.764 1.00 73.34 H new ATOM 0 HA ASN A 33 -12.756 -9.860 37.877 1.00 54.32 H new ATOM 0 HB2 ASN A 33 -15.003 -8.015 37.180 1.00 0.31 H new ATOM 0 HB3 ASN A 33 -15.497 -9.565 37.830 1.00 0.31 H new ATOM 0 HD21 ASN A 33 -13.685 -6.740 40.220 1.00 61.25 H new ATOM 0 HD22 ASN A 33 -13.775 -6.552 38.466 1.00 61.25 H new ATOM 535 N GLU A 34 -14.746 -10.530 35.308 1.00 11.44 N ATOM 536 CA GLU A 34 -15.301 -11.628 34.514 1.00 12.01 C ATOM 537 C GLU A 34 -14.478 -11.937 33.265 1.00 33.04 C ATOM 538 O GLU A 34 -14.628 -13.003 32.675 1.00 14.34 O ATOM 539 CB GLU A 34 -16.737 -11.298 34.100 1.00 14.34 C ATOM 540 CG GLU A 34 -17.687 -11.128 35.273 1.00 71.44 C ATOM 541 CD GLU A 34 -18.017 -12.444 35.947 1.00 43.43 C ATOM 542 OE1 GLU A 34 -17.077 -13.132 36.400 1.00 51.51 O ATOM 543 OE2 GLU A 34 -19.214 -12.791 36.021 1.00 60.04 O ATOM 0 H GLU A 34 -15.034 -9.601 35.000 1.00 11.44 H new ATOM 0 HA GLU A 34 -15.277 -12.514 35.148 1.00 12.01 H new ATOM 0 HB2 GLU A 34 -16.734 -10.381 33.510 1.00 14.34 H new ATOM 0 HB3 GLU A 34 -17.111 -12.092 33.453 1.00 14.34 H new ATOM 0 HG2 GLU A 34 -17.241 -10.452 36.002 1.00 71.44 H new ATOM 0 HG3 GLU A 34 -18.608 -10.660 34.926 1.00 71.44 H new ATOM 550 N ILE A 35 -13.624 -11.013 32.853 1.00 41.23 N ATOM 551 CA ILE A 35 -12.805 -11.220 31.665 1.00 15.01 C ATOM 552 C ILE A 35 -11.368 -11.572 32.036 1.00 22.10 C ATOM 553 O ILE A 35 -10.563 -10.701 32.364 1.00 72.42 O ATOM 554 CB ILE A 35 -12.826 -9.979 30.743 1.00 65.24 C ATOM 555 CG1 ILE A 35 -14.266 -9.644 30.336 1.00 43.31 C ATOM 556 CG2 ILE A 35 -11.968 -10.207 29.503 1.00 51.33 C ATOM 557 CD1 ILE A 35 -15.059 -10.846 29.873 1.00 44.35 C ATOM 0 H ILE A 35 -13.479 -10.117 33.319 1.00 41.23 H new ATOM 0 HA ILE A 35 -13.237 -12.060 31.121 1.00 15.01 H new ATOM 0 HB ILE A 35 -12.410 -9.137 31.296 1.00 65.24 H new ATOM 0 HG12 ILE A 35 -14.777 -9.186 31.183 1.00 43.31 H new ATOM 0 HG13 ILE A 35 -14.246 -8.903 29.537 1.00 43.31 H new ATOM 0 HG21 ILE A 35 -11.999 -9.320 28.871 1.00 51.33 H new ATOM 0 HG22 ILE A 35 -10.939 -10.402 29.804 1.00 51.33 H new ATOM 0 HG23 ILE A 35 -12.352 -11.062 28.947 1.00 51.33 H new ATOM 0 HD11 ILE A 35 -16.067 -10.534 29.601 1.00 44.35 H new ATOM 0 HD12 ILE A 35 -14.571 -11.292 29.006 1.00 44.35 H new ATOM 0 HD13 ILE A 35 -15.111 -11.580 30.677 1.00 44.35 H new ATOM 569 N SER A 36 -11.059 -12.864 31.975 1.00 32.24 N ATOM 570 CA SER A 36 -9.726 -13.361 32.296 1.00 70.31 C ATOM 571 C SER A 36 -8.695 -12.823 31.307 1.00 1.11 C ATOM 572 O SER A 36 -9.047 -12.196 30.310 1.00 2.44 O ATOM 573 CB SER A 36 -9.726 -14.891 32.272 1.00 53.15 C ATOM 574 OG SER A 36 -10.823 -15.413 33.002 1.00 41.34 O ATOM 0 H SER A 36 -11.721 -13.591 31.704 1.00 32.24 H new ATOM 0 HA SER A 36 -9.457 -13.015 33.294 1.00 70.31 H new ATOM 0 HB2 SER A 36 -9.772 -15.242 31.241 1.00 53.15 H new ATOM 0 HB3 SER A 36 -8.793 -15.264 32.695 1.00 53.15 H new ATOM 0 HG SER A 36 -10.498 -16.061 33.662 1.00 41.34 H new ATOM 580 N LYS A 37 -7.419 -13.074 31.590 1.00 42.00 N ATOM 581 CA LYS A 37 -6.342 -12.614 30.721 1.00 52.25 C ATOM 582 C LYS A 37 -6.446 -13.248 29.337 1.00 52.31 C ATOM 583 O LYS A 37 -6.061 -12.645 28.335 1.00 14.05 O ATOM 584 CB LYS A 37 -4.982 -12.935 31.343 1.00 71.22 C ATOM 585 CG LYS A 37 -4.623 -12.034 32.516 1.00 2.54 C ATOM 586 CD LYS A 37 -3.177 -11.566 32.444 1.00 32.52 C ATOM 587 CE LYS A 37 -3.074 -10.052 32.547 1.00 55.32 C ATOM 588 NZ LYS A 37 -1.887 -9.524 31.817 1.00 43.10 N ATOM 0 H LYS A 37 -7.108 -13.592 32.412 1.00 42.00 H new ATOM 0 HA LYS A 37 -6.437 -11.534 30.611 1.00 52.25 H new ATOM 0 HB2 LYS A 37 -4.980 -13.972 31.678 1.00 71.22 H new ATOM 0 HB3 LYS A 37 -4.211 -12.846 30.578 1.00 71.22 H new ATOM 0 HG2 LYS A 37 -5.286 -11.169 32.526 1.00 2.54 H new ATOM 0 HG3 LYS A 37 -4.786 -12.571 33.450 1.00 2.54 H new ATOM 0 HD2 LYS A 37 -2.604 -12.026 33.249 1.00 32.52 H new ATOM 0 HD3 LYS A 37 -2.732 -11.899 31.506 1.00 32.52 H new ATOM 0 HE2 LYS A 37 -3.979 -9.598 32.144 1.00 55.32 H new ATOM 0 HE3 LYS A 37 -3.013 -9.763 33.596 1.00 55.32 H new ATOM 0 HZ1 LYS A 37 -1.853 -8.489 31.912 1.00 43.10 H new ATOM 0 HZ2 LYS A 37 -1.021 -9.937 32.218 1.00 43.10 H new ATOM 0 HZ3 LYS A 37 -1.957 -9.777 30.811 1.00 43.10 H new ATOM 602 N GLU A 38 -6.970 -14.468 29.291 1.00 41.40 N ATOM 603 CA GLU A 38 -7.127 -15.183 28.030 1.00 54.20 C ATOM 604 C GLU A 38 -8.062 -14.426 27.091 1.00 31.43 C ATOM 605 O GLU A 38 -7.810 -14.333 25.889 1.00 60.21 O ATOM 606 CB GLU A 38 -7.667 -16.591 28.288 1.00 41.40 C ATOM 607 CG GLU A 38 -7.421 -17.561 27.142 1.00 62.41 C ATOM 608 CD GLU A 38 -6.908 -18.906 27.615 1.00 30.14 C ATOM 609 OE1 GLU A 38 -7.021 -19.193 28.826 1.00 72.33 O ATOM 610 OE2 GLU A 38 -6.396 -19.676 26.776 1.00 54.15 O ATOM 0 H GLU A 38 -7.293 -14.982 30.111 1.00 41.40 H new ATOM 0 HA GLU A 38 -6.150 -15.258 27.554 1.00 54.20 H new ATOM 0 HB2 GLU A 38 -7.206 -16.987 29.193 1.00 41.40 H new ATOM 0 HB3 GLU A 38 -8.739 -16.530 28.477 1.00 41.40 H new ATOM 0 HG2 GLU A 38 -8.348 -17.705 26.588 1.00 62.41 H new ATOM 0 HG3 GLU A 38 -6.701 -17.125 26.450 1.00 62.41 H new ATOM 617 N ALA A 39 -9.137 -13.883 27.651 1.00 51.41 N ATOM 618 CA ALA A 39 -10.109 -13.130 26.866 1.00 63.44 C ATOM 619 C ALA A 39 -9.620 -11.711 26.602 1.00 13.12 C ATOM 620 O ALA A 39 -9.741 -11.198 25.489 1.00 44.04 O ATOM 621 CB ALA A 39 -11.448 -13.094 27.581 1.00 12.31 C ATOM 0 H ALA A 39 -9.358 -13.950 28.645 1.00 51.41 H new ATOM 0 HA ALA A 39 -10.230 -13.633 25.907 1.00 63.44 H new ATOM 0 HB1 ALA A 39 -12.164 -12.529 26.984 1.00 12.31 H new ATOM 0 HB2 ALA A 39 -11.814 -14.111 27.720 1.00 12.31 H new ATOM 0 HB3 ALA A 39 -11.329 -12.616 28.553 1.00 12.31 H new ATOM 627 N TRP A 40 -9.072 -11.078 27.635 1.00 21.45 N ATOM 628 CA TRP A 40 -8.568 -9.715 27.513 1.00 64.40 C ATOM 629 C TRP A 40 -7.547 -9.610 26.388 1.00 11.24 C ATOM 630 O TRP A 40 -7.485 -8.600 25.687 1.00 3.30 O ATOM 631 CB TRP A 40 -7.936 -9.257 28.826 1.00 22.34 C ATOM 632 CG TRP A 40 -7.635 -7.792 28.849 1.00 24.04 C ATOM 633 CD1 TRP A 40 -6.421 -7.209 29.069 1.00 14.34 C ATOM 634 CD2 TRP A 40 -8.564 -6.721 28.641 1.00 71.33 C ATOM 635 NE1 TRP A 40 -6.538 -5.841 29.011 1.00 2.03 N ATOM 636 CE2 TRP A 40 -7.843 -5.517 28.749 1.00 22.04 C ATOM 637 CE3 TRP A 40 -9.935 -6.664 28.371 1.00 10.53 C ATOM 638 CZ2 TRP A 40 -8.446 -4.271 28.600 1.00 13.34 C ATOM 639 CZ3 TRP A 40 -10.532 -5.427 28.222 1.00 12.25 C ATOM 640 CH2 TRP A 40 -9.789 -4.245 28.337 1.00 72.40 C ATOM 0 H TRP A 40 -8.966 -11.486 28.564 1.00 21.45 H new ATOM 0 HA TRP A 40 -9.413 -9.068 27.279 1.00 64.40 H new ATOM 0 HB2 TRP A 40 -8.608 -9.497 29.650 1.00 22.34 H new ATOM 0 HB3 TRP A 40 -7.014 -9.815 28.993 1.00 22.34 H new ATOM 0 HD1 TRP A 40 -5.503 -7.744 29.261 1.00 14.34 H new ATOM 0 HE1 TRP A 40 -5.777 -5.175 29.142 1.00 2.03 H new ATOM 0 HE3 TRP A 40 -10.516 -7.570 28.281 1.00 10.53 H new ATOM 0 HZ2 TRP A 40 -7.875 -3.359 28.689 1.00 13.34 H new ATOM 0 HZ3 TRP A 40 -11.590 -5.370 28.013 1.00 12.25 H new ATOM 0 HH2 TRP A 40 -10.286 -3.294 28.216 1.00 72.40 H new ATOM 651 N ALA A 41 -6.755 -10.663 26.213 1.00 22.20 N ATOM 652 CA ALA A 41 -5.750 -10.685 25.161 1.00 53.14 C ATOM 653 C ALA A 41 -6.418 -10.604 23.798 1.00 42.33 C ATOM 654 O ALA A 41 -6.060 -9.770 22.966 1.00 53.05 O ATOM 655 CB ALA A 41 -4.896 -11.937 25.267 1.00 23.01 C ATOM 0 H ALA A 41 -6.791 -11.507 26.784 1.00 22.20 H new ATOM 0 HA ALA A 41 -5.099 -9.819 25.280 1.00 53.14 H new ATOM 0 HB1 ALA A 41 -4.150 -11.937 24.472 1.00 23.01 H new ATOM 0 HB2 ALA A 41 -4.395 -11.955 26.235 1.00 23.01 H new ATOM 0 HB3 ALA A 41 -5.529 -12.819 25.170 1.00 23.01 H new ATOM 661 N GLN A 42 -7.403 -11.468 23.580 1.00 45.32 N ATOM 662 CA GLN A 42 -8.140 -11.490 22.322 1.00 24.31 C ATOM 663 C GLN A 42 -8.715 -10.113 22.022 1.00 23.11 C ATOM 664 O GLN A 42 -8.769 -9.688 20.868 1.00 73.11 O ATOM 665 CB GLN A 42 -9.269 -12.520 22.392 1.00 64.34 C ATOM 666 CG GLN A 42 -8.839 -13.855 22.975 1.00 12.21 C ATOM 667 CD GLN A 42 -9.561 -15.028 22.340 1.00 5.23 C ATOM 668 OE1 GLN A 42 -9.570 -15.178 21.118 1.00 75.14 O ATOM 669 NE2 GLN A 42 -10.172 -15.868 23.168 1.00 44.42 N ATOM 0 H GLN A 42 -7.710 -12.164 24.260 1.00 45.32 H new ATOM 0 HA GLN A 42 -7.454 -11.767 21.522 1.00 24.31 H new ATOM 0 HB2 GLN A 42 -10.082 -12.115 22.994 1.00 64.34 H new ATOM 0 HB3 GLN A 42 -9.665 -12.681 21.389 1.00 64.34 H new ATOM 0 HG2 GLN A 42 -7.764 -13.978 22.839 1.00 12.21 H new ATOM 0 HG3 GLN A 42 -9.026 -13.856 24.049 1.00 12.21 H new ATOM 0 HE21 GLN A 42 -10.139 -15.706 24.175 1.00 44.42 H new ATOM 0 HE22 GLN A 42 -10.674 -16.675 22.797 1.00 44.42 H new ATOM 678 N TRP A 43 -9.138 -9.418 23.073 1.00 55.12 N ATOM 679 CA TRP A 43 -9.702 -8.086 22.925 1.00 54.33 C ATOM 680 C TRP A 43 -8.628 -7.090 22.501 1.00 32.20 C ATOM 681 O TRP A 43 -8.751 -6.440 21.466 1.00 45.45 O ATOM 682 CB TRP A 43 -10.348 -7.617 24.232 1.00 21.24 C ATOM 683 CG TRP A 43 -10.661 -6.153 24.230 1.00 14.31 C ATOM 684 CD1 TRP A 43 -10.194 -5.212 25.099 1.00 42.10 C ATOM 685 CD2 TRP A 43 -11.498 -5.463 23.297 1.00 45.21 C ATOM 686 NE1 TRP A 43 -10.688 -3.975 24.763 1.00 3.05 N ATOM 687 CE2 TRP A 43 -11.495 -4.105 23.661 1.00 43.44 C ATOM 688 CE3 TRP A 43 -12.251 -5.863 22.189 1.00 21.12 C ATOM 689 CZ2 TRP A 43 -12.215 -3.144 22.956 1.00 41.34 C ATOM 690 CZ3 TRP A 43 -12.965 -4.908 21.489 1.00 23.33 C ATOM 691 CH2 TRP A 43 -12.943 -3.563 21.876 1.00 23.41 C ATOM 0 H TRP A 43 -9.100 -9.757 24.034 1.00 55.12 H new ATOM 0 HA TRP A 43 -10.468 -8.136 22.151 1.00 54.33 H new ATOM 0 HB2 TRP A 43 -11.266 -8.180 24.401 1.00 21.24 H new ATOM 0 HB3 TRP A 43 -9.679 -7.840 25.063 1.00 21.24 H new ATOM 0 HD1 TRP A 43 -9.533 -5.410 25.930 1.00 42.10 H new ATOM 0 HE1 TRP A 43 -10.488 -3.103 25.253 1.00 3.05 H new ATOM 0 HE3 TRP A 43 -12.275 -6.899 21.885 1.00 21.12 H new ATOM 0 HZ2 TRP A 43 -12.199 -2.105 23.251 1.00 41.34 H new ATOM 0 HZ3 TRP A 43 -13.549 -5.204 20.630 1.00 23.33 H new ATOM 0 HH2 TRP A 43 -13.513 -2.841 21.310 1.00 23.41 H new ATOM 702 N GLN A 44 -7.581 -6.969 23.315 1.00 51.52 N ATOM 703 CA GLN A 44 -6.487 -6.045 23.027 1.00 3.30 C ATOM 704 C GLN A 44 -6.048 -6.164 21.570 1.00 74.45 C ATOM 705 O GLN A 44 -5.810 -5.159 20.899 1.00 32.54 O ATOM 706 CB GLN A 44 -5.301 -6.315 23.954 1.00 73.54 C ATOM 707 CG GLN A 44 -5.674 -6.341 25.429 1.00 4.42 C ATOM 708 CD GLN A 44 -4.787 -5.443 26.270 1.00 41.44 C ATOM 709 OE1 GLN A 44 -3.846 -5.908 26.913 1.00 2.02 O ATOM 710 NE2 GLN A 44 -5.085 -4.150 26.267 1.00 2.33 N ATOM 0 H GLN A 44 -7.468 -7.499 24.179 1.00 51.52 H new ATOM 0 HA GLN A 44 -6.846 -5.031 23.200 1.00 3.30 H new ATOM 0 HB2 GLN A 44 -4.850 -7.270 23.685 1.00 73.54 H new ATOM 0 HB3 GLN A 44 -4.543 -5.548 23.793 1.00 73.54 H new ATOM 0 HG2 GLN A 44 -6.712 -6.030 25.543 1.00 4.42 H new ATOM 0 HG3 GLN A 44 -5.605 -7.364 25.800 1.00 4.42 H new ATOM 0 HE21 GLN A 44 -5.875 -3.810 25.718 1.00 2.33 H new ATOM 0 HE22 GLN A 44 -4.524 -3.496 26.813 1.00 2.33 H new ATOM 719 N HIS A 45 -5.954 -7.398 21.088 1.00 5.13 N ATOM 720 CA HIS A 45 -5.559 -7.648 19.707 1.00 12.51 C ATOM 721 C HIS A 45 -6.628 -7.128 18.753 1.00 52.13 C ATOM 722 O HIS A 45 -6.325 -6.684 17.646 1.00 22.04 O ATOM 723 CB HIS A 45 -5.329 -9.143 19.478 1.00 61.45 C ATOM 724 CG HIS A 45 -5.037 -9.490 18.050 1.00 44.53 C ATOM 725 ND1 HIS A 45 -3.760 -9.676 17.567 1.00 20.33 N ATOM 726 CD2 HIS A 45 -5.867 -9.686 16.996 1.00 31.41 C ATOM 727 CE1 HIS A 45 -3.814 -9.969 16.280 1.00 42.21 C ATOM 728 NE2 HIS A 45 -5.081 -9.982 15.910 1.00 45.21 N ATOM 0 H HIS A 45 -6.146 -8.239 21.632 1.00 5.13 H new ATOM 0 HA HIS A 45 -4.625 -7.120 19.512 1.00 12.51 H new ATOM 0 HB2 HIS A 45 -4.499 -9.475 20.101 1.00 61.45 H new ATOM 0 HB3 HIS A 45 -6.212 -9.693 19.804 1.00 61.45 H new ATOM 0 HD2 HIS A 45 -6.945 -9.621 17.008 1.00 31.41 H new ATOM 0 HE1 HIS A 45 -2.966 -10.164 15.640 1.00 42.21 H new ATOM 0 HE2 HIS A 45 -5.421 -10.180 14.969 1.00 45.21 H new ATOM 736 N LYS A 46 -7.878 -7.178 19.197 1.00 55.53 N ATOM 737 CA LYS A 46 -8.991 -6.700 18.392 1.00 40.11 C ATOM 738 C LYS A 46 -9.136 -5.188 18.538 1.00 73.41 C ATOM 739 O LYS A 46 -9.638 -4.510 17.644 1.00 51.20 O ATOM 740 CB LYS A 46 -10.289 -7.396 18.803 1.00 2.14 C ATOM 741 CG LYS A 46 -11.495 -6.970 17.979 1.00 34.23 C ATOM 742 CD LYS A 46 -12.003 -8.103 17.098 1.00 13.22 C ATOM 743 CE LYS A 46 -13.523 -8.144 17.058 1.00 12.15 C ATOM 744 NZ LYS A 46 -14.104 -6.899 16.481 1.00 74.13 N ATOM 0 H LYS A 46 -8.145 -7.545 20.111 1.00 55.53 H new ATOM 0 HA LYS A 46 -8.788 -6.936 17.347 1.00 40.11 H new ATOM 0 HB2 LYS A 46 -10.159 -8.474 18.710 1.00 2.14 H new ATOM 0 HB3 LYS A 46 -10.486 -7.188 19.855 1.00 2.14 H new ATOM 0 HG2 LYS A 46 -12.293 -6.641 18.645 1.00 34.23 H new ATOM 0 HG3 LYS A 46 -11.227 -6.117 17.356 1.00 34.23 H new ATOM 0 HD2 LYS A 46 -11.615 -7.980 16.087 1.00 13.22 H new ATOM 0 HD3 LYS A 46 -11.623 -9.054 17.472 1.00 13.22 H new ATOM 0 HE2 LYS A 46 -13.846 -9.001 16.468 1.00 12.15 H new ATOM 0 HE3 LYS A 46 -13.908 -8.289 18.068 1.00 12.15 H new ATOM 0 HZ1 LYS A 46 -15.137 -6.998 16.411 1.00 74.13 H new ATOM 0 HZ2 LYS A 46 -13.875 -6.092 17.095 1.00 74.13 H new ATOM 0 HZ3 LYS A 46 -13.706 -6.737 15.534 1.00 74.13 H new ATOM 758 N GLN A 47 -8.687 -4.664 19.676 1.00 52.34 N ATOM 759 CA GLN A 47 -8.759 -3.233 19.946 1.00 41.35 C ATOM 760 C GLN A 47 -7.847 -2.456 19.000 1.00 55.42 C ATOM 761 O GLN A 47 -8.265 -1.477 18.383 1.00 61.23 O ATOM 762 CB GLN A 47 -8.370 -2.955 21.404 1.00 50.34 C ATOM 763 CG GLN A 47 -8.077 -1.491 21.697 1.00 75.45 C ATOM 764 CD GLN A 47 -8.218 -1.147 23.167 1.00 54.04 C ATOM 765 OE1 GLN A 47 -7.304 -0.592 23.776 1.00 60.30 O ATOM 766 NE2 GLN A 47 -9.367 -1.477 23.744 1.00 24.34 N ATOM 0 H GLN A 47 -8.268 -5.212 20.427 1.00 52.34 H new ATOM 0 HA GLN A 47 -9.784 -2.901 19.781 1.00 41.35 H new ATOM 0 HB2 GLN A 47 -9.177 -3.291 22.055 1.00 50.34 H new ATOM 0 HB3 GLN A 47 -7.491 -3.548 21.654 1.00 50.34 H new ATOM 0 HG2 GLN A 47 -7.065 -1.255 21.369 1.00 75.45 H new ATOM 0 HG3 GLN A 47 -8.755 -0.866 21.116 1.00 75.45 H new ATOM 0 HE21 GLN A 47 -10.097 -1.936 23.200 1.00 24.34 H new ATOM 0 HE22 GLN A 47 -9.519 -1.271 24.731 1.00 24.34 H new ATOM 775 N THR A 48 -6.596 -2.892 18.902 1.00 2.31 N ATOM 776 CA THR A 48 -5.620 -2.234 18.042 1.00 41.14 C ATOM 777 C THR A 48 -6.101 -2.169 16.592 1.00 32.32 C ATOM 778 O THR A 48 -5.957 -1.140 15.931 1.00 11.51 O ATOM 779 CB THR A 48 -4.274 -2.953 18.114 1.00 74.14 C ATOM 780 OG1 THR A 48 -3.280 -2.231 17.409 1.00 65.15 O ATOM 781 CG2 THR A 48 -4.311 -4.355 17.546 1.00 22.44 C ATOM 0 H THR A 48 -6.234 -3.700 19.409 1.00 2.31 H new ATOM 0 HA THR A 48 -5.500 -1.213 18.403 1.00 41.14 H new ATOM 0 HB THR A 48 -4.039 -3.015 19.176 1.00 74.14 H new ATOM 0 HG1 THR A 48 -2.426 -2.707 17.469 1.00 65.15 H new ATOM 0 HG21 THR A 48 -3.323 -4.807 17.629 1.00 22.44 H new ATOM 0 HG22 THR A 48 -5.032 -4.954 18.102 1.00 22.44 H new ATOM 0 HG23 THR A 48 -4.605 -4.315 16.497 1.00 22.44 H new ATOM 789 N MET A 49 -6.665 -3.269 16.093 1.00 63.31 N ATOM 790 CA MET A 49 -7.148 -3.311 14.716 1.00 24.21 C ATOM 791 C MET A 49 -8.398 -2.453 14.545 1.00 40.42 C ATOM 792 O MET A 49 -8.559 -1.783 13.524 1.00 5.35 O ATOM 793 CB MET A 49 -7.435 -4.751 14.281 1.00 25.43 C ATOM 794 CG MET A 49 -8.401 -5.492 15.190 1.00 13.45 C ATOM 795 SD MET A 49 -9.210 -6.874 14.361 1.00 74.20 S ATOM 796 CE MET A 49 -8.076 -8.210 14.732 1.00 41.13 C ATOM 0 H MET A 49 -6.797 -4.134 16.617 1.00 63.31 H new ATOM 0 HA MET A 49 -6.362 -2.905 14.080 1.00 24.21 H new ATOM 0 HB2 MET A 49 -7.841 -4.740 13.269 1.00 25.43 H new ATOM 0 HB3 MET A 49 -6.495 -5.302 14.241 1.00 25.43 H new ATOM 0 HG2 MET A 49 -7.862 -5.861 16.063 1.00 13.45 H new ATOM 0 HG3 MET A 49 -9.158 -4.797 15.553 1.00 13.45 H new ATOM 0 HE1 MET A 49 -8.087 -8.934 13.917 1.00 41.13 H new ATOM 0 HE2 MET A 49 -7.069 -7.810 14.849 1.00 41.13 H new ATOM 0 HE3 MET A 49 -8.381 -8.700 15.656 1.00 41.13 H new ATOM 806 N LEU A 50 -9.277 -2.469 15.543 1.00 10.12 N ATOM 807 CA LEU A 50 -10.501 -1.678 15.484 1.00 72.50 C ATOM 808 C LEU A 50 -10.169 -0.202 15.312 1.00 24.05 C ATOM 809 O LEU A 50 -10.804 0.502 14.533 1.00 31.33 O ATOM 810 CB LEU A 50 -11.342 -1.877 16.750 1.00 35.02 C ATOM 811 CG LEU A 50 -12.155 -3.173 16.798 1.00 62.32 C ATOM 812 CD1 LEU A 50 -12.882 -3.301 18.131 1.00 23.33 C ATOM 813 CD2 LEU A 50 -13.141 -3.226 15.640 1.00 64.03 C ATOM 0 H LEU A 50 -9.166 -3.017 16.396 1.00 10.12 H new ATOM 0 HA LEU A 50 -11.081 -2.017 14.625 1.00 72.50 H new ATOM 0 HB2 LEU A 50 -10.679 -1.851 17.615 1.00 35.02 H new ATOM 0 HB3 LEU A 50 -12.026 -1.034 16.848 1.00 35.02 H new ATOM 0 HG LEU A 50 -11.469 -4.014 16.703 1.00 62.32 H new ATOM 0 HD11 LEU A 50 -13.454 -4.229 18.146 1.00 23.33 H new ATOM 0 HD12 LEU A 50 -12.155 -3.311 18.943 1.00 23.33 H new ATOM 0 HD13 LEU A 50 -13.558 -2.456 18.259 1.00 23.33 H new ATOM 0 HD21 LEU A 50 -13.711 -4.154 15.689 1.00 64.03 H new ATOM 0 HD22 LEU A 50 -13.823 -2.378 15.703 1.00 64.03 H new ATOM 0 HD23 LEU A 50 -12.597 -3.184 14.697 1.00 64.03 H new ATOM 825 N ILE A 51 -9.165 0.258 16.043 1.00 21.21 N ATOM 826 CA ILE A 51 -8.745 1.648 15.977 1.00 51.32 C ATOM 827 C ILE A 51 -8.078 1.970 14.644 1.00 51.43 C ATOM 828 O ILE A 51 -8.245 3.064 14.104 1.00 23.00 O ATOM 829 CB ILE A 51 -7.776 1.979 17.127 1.00 73.01 C ATOM 830 CG1 ILE A 51 -8.468 1.736 18.469 1.00 34.51 C ATOM 831 CG2 ILE A 51 -7.278 3.414 17.020 1.00 5.23 C ATOM 832 CD1 ILE A 51 -7.550 1.881 19.661 1.00 32.24 C ATOM 0 H ILE A 51 -8.624 -0.315 16.691 1.00 21.21 H new ATOM 0 HA ILE A 51 -9.642 2.260 16.071 1.00 51.32 H new ATOM 0 HB ILE A 51 -6.907 1.324 17.057 1.00 73.01 H new ATOM 0 HG12 ILE A 51 -9.297 2.436 18.572 1.00 34.51 H new ATOM 0 HG13 ILE A 51 -8.896 0.733 18.471 1.00 34.51 H new ATOM 0 HG21 ILE A 51 -6.595 3.624 17.843 1.00 5.23 H new ATOM 0 HG22 ILE A 51 -6.756 3.548 16.072 1.00 5.23 H new ATOM 0 HG23 ILE A 51 -8.126 4.098 17.068 1.00 5.23 H new ATOM 0 HD11 ILE A 51 -8.111 1.694 20.577 1.00 32.24 H new ATOM 0 HD12 ILE A 51 -6.735 1.162 19.582 1.00 32.24 H new ATOM 0 HD13 ILE A 51 -7.142 2.891 19.685 1.00 32.24 H new ATOM 844 N ASN A 52 -7.319 1.018 14.119 1.00 53.30 N ATOM 845 CA ASN A 52 -6.628 1.209 12.852 1.00 52.52 C ATOM 846 C ASN A 52 -7.605 1.163 11.681 1.00 23.31 C ATOM 847 O ASN A 52 -7.579 2.029 10.806 1.00 63.50 O ATOM 848 CB ASN A 52 -5.546 0.145 12.674 1.00 74.33 C ATOM 849 CG ASN A 52 -4.235 0.534 13.325 1.00 12.23 C ATOM 850 OD1 ASN A 52 -3.398 1.199 12.716 1.00 63.13 O ATOM 851 ND2 ASN A 52 -4.049 0.118 14.572 1.00 75.53 N ATOM 0 H ASN A 52 -7.166 0.107 14.551 1.00 53.30 H new ATOM 0 HA ASN A 52 -6.161 2.194 12.868 1.00 52.52 H new ATOM 0 HB2 ASN A 52 -5.894 -0.796 13.100 1.00 74.33 H new ATOM 0 HB3 ASN A 52 -5.382 -0.027 11.610 1.00 74.33 H new ATOM 0 HD21 ASN A 52 -3.185 0.348 15.063 1.00 75.53 H new ATOM 0 HD22 ASN A 52 -4.770 -0.432 15.039 1.00 75.53 H new ATOM 858 N GLU A 53 -8.464 0.150 11.666 1.00 22.35 N ATOM 859 CA GLU A 53 -9.444 -0.004 10.596 1.00 2.12 C ATOM 860 C GLU A 53 -10.529 1.068 10.690 1.00 0.01 C ATOM 861 O GLU A 53 -10.782 1.788 9.723 1.00 44.44 O ATOM 862 CB GLU A 53 -10.065 -1.401 10.636 1.00 54.44 C ATOM 863 CG GLU A 53 -10.487 -1.915 9.270 1.00 72.53 C ATOM 864 CD GLU A 53 -9.312 -2.395 8.437 1.00 60.14 C ATOM 865 OE1 GLU A 53 -8.592 -3.305 8.897 1.00 3.25 O ATOM 866 OE2 GLU A 53 -9.115 -1.861 7.327 1.00 64.12 O ATOM 0 H GLU A 53 -8.502 -0.576 12.381 1.00 22.35 H new ATOM 0 HA GLU A 53 -8.928 0.119 9.644 1.00 2.12 H new ATOM 0 HB2 GLU A 53 -9.348 -2.097 11.072 1.00 54.44 H new ATOM 0 HB3 GLU A 53 -10.934 -1.385 11.294 1.00 54.44 H new ATOM 0 HG2 GLU A 53 -11.196 -2.733 9.397 1.00 72.53 H new ATOM 0 HG3 GLU A 53 -11.008 -1.123 8.733 1.00 72.53 H new ATOM 873 N LYS A 54 -11.164 1.181 11.855 1.00 2.21 N ATOM 874 CA LYS A 54 -12.210 2.184 12.054 1.00 51.31 C ATOM 875 C LYS A 54 -11.610 3.585 12.141 1.00 13.10 C ATOM 876 O LYS A 54 -12.322 4.583 12.035 1.00 20.24 O ATOM 877 CB LYS A 54 -13.020 1.896 13.322 1.00 24.31 C ATOM 878 CG LYS A 54 -14.113 0.858 13.130 1.00 71.11 C ATOM 879 CD LYS A 54 -13.606 -0.548 13.407 1.00 44.52 C ATOM 880 CE LYS A 54 -13.429 -1.337 12.121 1.00 52.22 C ATOM 881 NZ LYS A 54 -12.844 -2.682 12.372 1.00 54.31 N ATOM 0 H LYS A 54 -10.975 0.596 12.669 1.00 2.21 H new ATOM 0 HA LYS A 54 -12.876 2.133 11.193 1.00 51.31 H new ATOM 0 HB2 LYS A 54 -12.342 1.556 14.105 1.00 24.31 H new ATOM 0 HB3 LYS A 54 -13.471 2.824 13.672 1.00 24.31 H new ATOM 0 HG2 LYS A 54 -14.948 1.081 13.794 1.00 71.11 H new ATOM 0 HG3 LYS A 54 -14.493 0.914 12.110 1.00 71.11 H new ATOM 0 HD2 LYS A 54 -12.655 -0.496 13.937 1.00 44.52 H new ATOM 0 HD3 LYS A 54 -14.307 -1.067 14.060 1.00 44.52 H new ATOM 0 HE2 LYS A 54 -14.394 -1.447 11.627 1.00 52.22 H new ATOM 0 HE3 LYS A 54 -12.784 -0.782 11.440 1.00 52.22 H new ATOM 0 HZ1 LYS A 54 -12.708 -3.176 11.467 1.00 54.31 H new ATOM 0 HZ2 LYS A 54 -11.927 -2.578 12.851 1.00 54.31 H new ATOM 0 HZ3 LYS A 54 -13.488 -3.234 12.974 1.00 54.31 H new ATOM 895 N LYS A 55 -10.295 3.652 12.339 1.00 43.42 N ATOM 896 CA LYS A 55 -9.599 4.929 12.442 1.00 74.11 C ATOM 897 C LYS A 55 -10.025 5.683 13.698 1.00 31.21 C ATOM 898 O LYS A 55 -10.584 6.776 13.619 1.00 5.25 O ATOM 899 CB LYS A 55 -9.869 5.782 11.199 1.00 72.23 C ATOM 900 CG LYS A 55 -9.712 5.018 9.892 1.00 12.00 C ATOM 901 CD LYS A 55 -10.831 5.348 8.914 1.00 1.15 C ATOM 902 CE LYS A 55 -10.572 4.740 7.545 1.00 24.22 C ATOM 903 NZ LYS A 55 -11.734 3.944 7.063 1.00 61.25 N ATOM 0 H LYS A 55 -9.691 2.835 12.431 1.00 43.42 H new ATOM 0 HA LYS A 55 -8.530 4.728 12.510 1.00 74.11 H new ATOM 0 HB2 LYS A 55 -10.881 6.184 11.257 1.00 72.23 H new ATOM 0 HB3 LYS A 55 -9.188 6.633 11.197 1.00 72.23 H new ATOM 0 HG2 LYS A 55 -8.750 5.261 9.441 1.00 12.00 H new ATOM 0 HG3 LYS A 55 -9.708 3.947 10.094 1.00 12.00 H new ATOM 0 HD2 LYS A 55 -11.778 4.977 9.305 1.00 1.15 H new ATOM 0 HD3 LYS A 55 -10.927 6.430 8.821 1.00 1.15 H new ATOM 0 HE2 LYS A 55 -10.354 5.534 6.830 1.00 24.22 H new ATOM 0 HE3 LYS A 55 -9.689 4.102 7.592 1.00 24.22 H new ATOM 0 HZ1 LYS A 55 -11.518 3.546 6.127 1.00 61.25 H new ATOM 0 HZ2 LYS A 55 -11.927 3.171 7.732 1.00 61.25 H new ATOM 0 HZ3 LYS A 55 -12.571 4.558 6.994 1.00 61.25 H new ATOM 917 N LEU A 56 -9.751 5.093 14.859 1.00 30.41 N ATOM 918 CA LEU A 56 -10.100 5.711 16.130 1.00 52.41 C ATOM 919 C LEU A 56 -8.937 6.553 16.653 1.00 51.14 C ATOM 920 O LEU A 56 -7.962 6.787 15.939 1.00 44.51 O ATOM 921 CB LEU A 56 -10.491 4.633 17.145 1.00 75.54 C ATOM 922 CG LEU A 56 -11.790 3.887 16.822 1.00 34.35 C ATOM 923 CD1 LEU A 56 -12.124 2.896 17.924 1.00 32.03 C ATOM 924 CD2 LEU A 56 -12.934 4.869 16.620 1.00 14.14 C ATOM 0 H LEU A 56 -9.288 4.188 14.943 1.00 30.41 H new ATOM 0 HA LEU A 56 -10.953 6.372 15.979 1.00 52.41 H new ATOM 0 HB2 LEU A 56 -9.680 3.908 17.215 1.00 75.54 H new ATOM 0 HB3 LEU A 56 -10.589 5.097 18.127 1.00 75.54 H new ATOM 0 HG LEU A 56 -11.647 3.333 15.894 1.00 34.35 H new ATOM 0 HD11 LEU A 56 -13.049 2.376 17.677 1.00 32.03 H new ATOM 0 HD12 LEU A 56 -11.315 2.172 18.020 1.00 32.03 H new ATOM 0 HD13 LEU A 56 -12.247 3.428 18.867 1.00 32.03 H new ATOM 0 HD21 LEU A 56 -13.848 4.321 16.392 1.00 14.14 H new ATOM 0 HD22 LEU A 56 -13.078 5.452 17.530 1.00 14.14 H new ATOM 0 HD23 LEU A 56 -12.697 5.539 15.794 1.00 14.14 H new ATOM 936 N ASN A 57 -9.046 7.014 17.895 1.00 32.03 N ATOM 937 CA ASN A 57 -8.004 7.838 18.500 1.00 20.43 C ATOM 938 C ASN A 57 -8.005 7.684 20.019 1.00 1.23 C ATOM 939 O ASN A 57 -8.840 8.267 20.710 1.00 1.02 O ATOM 940 CB ASN A 57 -8.213 9.307 18.122 1.00 15.31 C ATOM 941 CG ASN A 57 -6.956 9.954 17.575 1.00 61.42 C ATOM 942 OD1 ASN A 57 -6.966 10.538 16.491 1.00 54.21 O ATOM 943 ND2 ASN A 57 -5.864 9.856 18.324 1.00 70.12 N ATOM 0 H ASN A 57 -9.845 6.831 18.502 1.00 32.03 H new ATOM 0 HA ASN A 57 -7.038 7.504 18.121 1.00 20.43 H new ATOM 0 HB2 ASN A 57 -9.006 9.377 17.378 1.00 15.31 H new ATOM 0 HB3 ASN A 57 -8.549 9.860 18.999 1.00 15.31 H new ATOM 0 HD21 ASN A 57 -4.989 10.274 18.007 1.00 70.12 H new ATOM 0 HD22 ASN A 57 -5.900 9.363 19.216 1.00 70.12 H new ATOM 950 N MET A 58 -7.069 6.891 20.532 1.00 5.10 N ATOM 951 CA MET A 58 -6.969 6.655 21.969 1.00 4.22 C ATOM 952 C MET A 58 -6.757 7.957 22.735 1.00 4.32 C ATOM 953 O MET A 58 -6.981 8.017 23.944 1.00 31.45 O ATOM 954 CB MET A 58 -5.829 5.683 22.283 1.00 30.22 C ATOM 955 CG MET A 58 -4.533 6.001 21.555 1.00 34.55 C ATOM 956 SD MET A 58 -3.984 4.655 20.486 1.00 24.45 S ATOM 957 CE MET A 58 -5.459 4.373 19.512 1.00 24.34 C ATOM 0 H MET A 58 -6.369 6.401 19.975 1.00 5.10 H new ATOM 0 HA MET A 58 -7.913 6.215 22.290 1.00 4.22 H new ATOM 0 HB2 MET A 58 -5.643 5.691 23.357 1.00 30.22 H new ATOM 0 HB3 MET A 58 -6.143 4.673 22.021 1.00 30.22 H new ATOM 0 HG2 MET A 58 -4.669 6.902 20.957 1.00 34.55 H new ATOM 0 HG3 MET A 58 -3.755 6.219 22.286 1.00 34.55 H new ATOM 0 HE1 MET A 58 -5.371 3.423 18.985 1.00 24.34 H new ATOM 0 HE2 MET A 58 -6.329 4.344 20.169 1.00 24.34 H new ATOM 0 HE3 MET A 58 -5.577 5.180 18.789 1.00 24.34 H new ATOM 967 N MET A 59 -6.326 8.997 22.028 1.00 1.01 N ATOM 968 CA MET A 59 -6.089 10.292 22.652 1.00 74.53 C ATOM 969 C MET A 59 -7.402 11.042 22.853 1.00 71.54 C ATOM 970 O MET A 59 -7.484 11.964 23.666 1.00 44.32 O ATOM 971 CB MET A 59 -5.133 11.122 21.791 1.00 2.02 C ATOM 972 CG MET A 59 -3.703 11.131 22.306 1.00 24.22 C ATOM 973 SD MET A 59 -2.520 11.680 21.060 1.00 11.43 S ATOM 974 CE MET A 59 -2.165 10.136 20.222 1.00 3.04 C ATOM 0 H MET A 59 -6.135 8.968 21.027 1.00 1.01 H new ATOM 0 HA MET A 59 -5.635 10.127 23.629 1.00 74.53 H new ATOM 0 HB2 MET A 59 -5.141 10.731 20.773 1.00 2.02 H new ATOM 0 HB3 MET A 59 -5.499 12.147 21.742 1.00 2.02 H new ATOM 0 HG2 MET A 59 -3.638 11.785 23.176 1.00 24.22 H new ATOM 0 HG3 MET A 59 -3.435 10.129 22.640 1.00 24.22 H new ATOM 0 HE1 MET A 59 -1.446 10.313 19.422 1.00 3.04 H new ATOM 0 HE2 MET A 59 -1.748 9.423 20.934 1.00 3.04 H new ATOM 0 HE3 MET A 59 -3.085 9.731 19.800 1.00 3.04 H new ATOM 984 N ASN A 60 -8.430 10.637 22.113 1.00 72.24 N ATOM 985 CA ASN A 60 -9.740 11.264 22.217 1.00 13.25 C ATOM 986 C ASN A 60 -10.692 10.390 23.026 1.00 2.34 C ATOM 987 O ASN A 60 -10.981 9.254 22.649 1.00 73.54 O ATOM 988 CB ASN A 60 -10.319 11.518 20.822 1.00 54.23 C ATOM 989 CG ASN A 60 -10.769 12.953 20.636 1.00 60.15 C ATOM 990 OD1 ASN A 60 -10.077 13.890 21.033 1.00 45.25 O ATOM 991 ND2 ASN A 60 -11.937 13.130 20.030 1.00 43.22 N ATOM 0 H ASN A 60 -8.379 9.877 21.435 1.00 72.24 H new ATOM 0 HA ASN A 60 -9.623 12.218 22.731 1.00 13.25 H new ATOM 0 HB2 ASN A 60 -9.568 11.275 20.070 1.00 54.23 H new ATOM 0 HB3 ASN A 60 -11.164 10.850 20.655 1.00 54.23 H new ATOM 0 HD21 ASN A 60 -12.294 14.073 19.877 1.00 43.22 H new ATOM 0 HD22 ASN A 60 -12.477 12.323 19.717 1.00 43.22 H new ATOM 998 N ALA A 61 -11.175 10.926 24.143 1.00 10.14 N ATOM 999 CA ALA A 61 -12.094 10.197 25.009 1.00 75.00 C ATOM 1000 C ALA A 61 -13.323 9.727 24.238 1.00 54.22 C ATOM 1001 O ALA A 61 -13.939 8.722 24.593 1.00 53.14 O ATOM 1002 CB ALA A 61 -12.507 11.064 26.187 1.00 34.33 C ATOM 0 H ALA A 61 -10.944 11.864 24.470 1.00 10.14 H new ATOM 0 HA ALA A 61 -11.576 9.315 25.385 1.00 75.00 H new ATOM 0 HB1 ALA A 61 -13.193 10.508 26.825 1.00 34.33 H new ATOM 0 HB2 ALA A 61 -11.623 11.343 26.761 1.00 34.33 H new ATOM 0 HB3 ALA A 61 -13.001 11.964 25.821 1.00 34.33 H new ATOM 1008 N GLU A 62 -13.676 10.458 23.186 1.00 55.43 N ATOM 1009 CA GLU A 62 -14.835 10.114 22.370 1.00 72.21 C ATOM 1010 C GLU A 62 -14.612 8.793 21.643 1.00 14.54 C ATOM 1011 O GLU A 62 -15.539 7.998 21.479 1.00 50.50 O ATOM 1012 CB GLU A 62 -15.121 11.223 21.357 1.00 2.31 C ATOM 1013 CG GLU A 62 -16.550 11.220 20.842 1.00 22.12 C ATOM 1014 CD GLU A 62 -16.664 10.653 19.439 1.00 43.31 C ATOM 1015 OE1 GLU A 62 -16.410 9.444 19.265 1.00 1.12 O ATOM 1016 OE2 GLU A 62 -17.007 11.421 18.515 1.00 50.21 O ATOM 0 H GLU A 62 -13.176 11.292 22.878 1.00 55.43 H new ATOM 0 HA GLU A 62 -15.695 10.006 23.031 1.00 72.21 H new ATOM 0 HB2 GLU A 62 -14.912 12.188 21.818 1.00 2.31 H new ATOM 0 HB3 GLU A 62 -14.439 11.118 20.513 1.00 2.31 H new ATOM 0 HG2 GLU A 62 -17.174 10.636 21.518 1.00 22.12 H new ATOM 0 HG3 GLU A 62 -16.937 12.239 20.851 1.00 22.12 H new ATOM 1023 N HIS A 63 -13.379 8.562 21.212 1.00 50.11 N ATOM 1024 CA HIS A 63 -13.035 7.333 20.509 1.00 60.41 C ATOM 1025 C HIS A 63 -12.697 6.220 21.495 1.00 12.50 C ATOM 1026 O HIS A 63 -13.119 5.077 21.322 1.00 40.22 O ATOM 1027 CB HIS A 63 -11.860 7.565 19.566 1.00 24.44 C ATOM 1028 CG HIS A 63 -12.234 8.304 18.319 1.00 10.20 C ATOM 1029 ND1 HIS A 63 -11.313 8.703 17.373 1.00 53.10 N ATOM 1030 CD2 HIS A 63 -13.441 8.716 17.861 1.00 33.45 C ATOM 1031 CE1 HIS A 63 -11.935 9.329 16.390 1.00 31.32 C ATOM 1032 NE2 HIS A 63 -13.227 9.349 16.662 1.00 33.54 N ATOM 0 H HIS A 63 -12.601 9.209 21.337 1.00 50.11 H new ATOM 0 HA HIS A 63 -13.902 7.028 19.924 1.00 60.41 H new ATOM 0 HB2 HIS A 63 -11.086 8.124 20.092 1.00 24.44 H new ATOM 0 HB3 HIS A 63 -11.428 6.602 19.293 1.00 24.44 H new ATOM 0 HD2 HIS A 63 -14.394 8.573 18.349 1.00 33.45 H new ATOM 0 HE1 HIS A 63 -11.467 9.752 15.514 1.00 31.32 H new ATOM 0 HE2 HIS A 63 -13.949 9.767 16.076 1.00 33.54 H new ATOM 1040 N ARG A 64 -11.936 6.562 22.530 1.00 13.31 N ATOM 1041 CA ARG A 64 -11.545 5.589 23.544 1.00 25.03 C ATOM 1042 C ARG A 64 -12.768 4.856 24.082 1.00 71.40 C ATOM 1043 O ARG A 64 -12.750 3.636 24.250 1.00 61.24 O ATOM 1044 CB ARG A 64 -10.803 6.276 24.691 1.00 40.44 C ATOM 1045 CG ARG A 64 -9.848 5.354 25.429 1.00 33.11 C ATOM 1046 CD ARG A 64 -8.420 5.520 24.934 1.00 61.24 C ATOM 1047 NE ARG A 64 -7.755 4.236 24.737 1.00 14.00 N ATOM 1048 CZ ARG A 64 -7.552 3.346 25.708 1.00 25.11 C ATOM 1049 NH1 ARG A 64 -7.950 3.597 26.948 1.00 63.42 N ATOM 1050 NH2 ARG A 64 -6.943 2.199 25.434 1.00 33.54 N ATOM 0 H ARG A 64 -11.578 7.504 22.688 1.00 13.31 H new ATOM 0 HA ARG A 64 -10.877 4.864 23.078 1.00 25.03 H new ATOM 0 HB2 ARG A 64 -10.245 7.125 24.296 1.00 40.44 H new ATOM 0 HB3 ARG A 64 -11.531 6.674 25.398 1.00 40.44 H new ATOM 0 HG2 ARG A 64 -9.891 5.564 26.498 1.00 33.11 H new ATOM 0 HG3 ARG A 64 -10.163 4.319 25.295 1.00 33.11 H new ATOM 0 HD2 ARG A 64 -8.424 6.073 23.995 1.00 61.24 H new ATOM 0 HD3 ARG A 64 -7.855 6.114 25.652 1.00 61.24 H new ATOM 0 HE ARG A 64 -7.426 4.006 23.799 1.00 14.00 H new ATOM 0 HH11 ARG A 64 -8.416 4.478 27.166 1.00 63.42 H new ATOM 0 HH12 ARG A 64 -7.790 2.909 27.684 1.00 63.42 H new ATOM 0 HH21 ARG A 64 -6.632 2.001 24.483 1.00 33.54 H new ATOM 0 HH22 ARG A 64 -6.786 1.515 26.175 1.00 33.54 H new ATOM 1064 N LYS A 65 -13.834 5.608 24.335 1.00 13.21 N ATOM 1065 CA LYS A 65 -15.072 5.026 24.836 1.00 31.33 C ATOM 1066 C LYS A 65 -15.672 4.083 23.798 1.00 61.24 C ATOM 1067 O LYS A 65 -16.426 3.171 24.136 1.00 33.24 O ATOM 1068 CB LYS A 65 -16.081 6.122 25.196 1.00 52.43 C ATOM 1069 CG LYS A 65 -16.202 7.215 24.144 1.00 2.34 C ATOM 1070 CD LYS A 65 -17.567 7.208 23.474 1.00 51.14 C ATOM 1071 CE LYS A 65 -17.692 6.076 22.465 1.00 42.14 C ATOM 1072 NZ LYS A 65 -18.870 6.257 21.573 1.00 60.30 N ATOM 0 H LYS A 65 -13.865 6.619 24.202 1.00 13.21 H new ATOM 0 HA LYS A 65 -14.841 4.459 25.738 1.00 31.33 H new ATOM 0 HB2 LYS A 65 -17.060 5.666 25.347 1.00 52.43 H new ATOM 0 HB3 LYS A 65 -15.790 6.574 26.144 1.00 52.43 H new ATOM 0 HG2 LYS A 65 -16.030 8.186 24.608 1.00 2.34 H new ATOM 0 HG3 LYS A 65 -15.427 7.081 23.390 1.00 2.34 H new ATOM 0 HD2 LYS A 65 -18.344 7.108 24.232 1.00 51.14 H new ATOM 0 HD3 LYS A 65 -17.732 8.162 22.973 1.00 51.14 H new ATOM 0 HE2 LYS A 65 -16.785 6.024 21.863 1.00 42.14 H new ATOM 0 HE3 LYS A 65 -17.779 5.126 22.993 1.00 42.14 H new ATOM 0 HZ1 LYS A 65 -18.921 5.466 20.900 1.00 60.30 H new ATOM 0 HZ2 LYS A 65 -19.738 6.281 22.145 1.00 60.30 H new ATOM 0 HZ3 LYS A 65 -18.775 7.151 21.050 1.00 60.30 H new ATOM 1086 N LEU A 66 -15.326 4.305 22.531 1.00 15.23 N ATOM 1087 CA LEU A 66 -15.823 3.469 21.448 1.00 65.44 C ATOM 1088 C LEU A 66 -15.403 2.019 21.661 1.00 64.34 C ATOM 1089 O LEU A 66 -16.228 1.109 21.584 1.00 43.34 O ATOM 1090 CB LEU A 66 -15.320 3.973 20.097 1.00 3.13 C ATOM 1091 CG LEU A 66 -16.248 3.674 18.914 1.00 44.22 C ATOM 1092 CD1 LEU A 66 -16.510 4.932 18.098 1.00 44.03 C ATOM 1093 CD2 LEU A 66 -15.659 2.578 18.037 1.00 64.02 C ATOM 0 H LEU A 66 -14.704 5.057 22.233 1.00 15.23 H new ATOM 0 HA LEU A 66 -16.912 3.523 21.449 1.00 65.44 H new ATOM 0 HB2 LEU A 66 -15.170 5.051 20.160 1.00 3.13 H new ATOM 0 HB3 LEU A 66 -14.346 3.527 19.898 1.00 3.13 H new ATOM 0 HG LEU A 66 -17.201 3.324 19.310 1.00 44.22 H new ATOM 0 HD11 LEU A 66 -17.171 4.694 17.265 1.00 44.03 H new ATOM 0 HD12 LEU A 66 -16.980 5.685 18.731 1.00 44.03 H new ATOM 0 HD13 LEU A 66 -15.566 5.319 17.714 1.00 44.03 H new ATOM 0 HD21 LEU A 66 -16.331 2.379 17.202 1.00 64.02 H new ATOM 0 HD22 LEU A 66 -14.690 2.900 17.654 1.00 64.02 H new ATOM 0 HD23 LEU A 66 -15.533 1.669 18.626 1.00 64.02 H new ATOM 1105 N LEU A 67 -14.118 1.808 21.949 1.00 63.34 N ATOM 1106 CA LEU A 67 -13.609 0.460 22.193 1.00 22.20 C ATOM 1107 C LEU A 67 -14.440 -0.206 23.279 1.00 1.33 C ATOM 1108 O LEU A 67 -14.882 -1.344 23.131 1.00 4.11 O ATOM 1109 CB LEU A 67 -12.137 0.500 22.613 1.00 1.32 C ATOM 1110 CG LEU A 67 -11.130 0.312 21.477 1.00 21.52 C ATOM 1111 CD1 LEU A 67 -11.286 -1.057 20.829 1.00 44.30 C ATOM 1112 CD2 LEU A 67 -11.299 1.410 20.447 1.00 25.32 C ATOM 0 H LEU A 67 -13.417 2.546 22.018 1.00 63.34 H new ATOM 0 HA LEU A 67 -13.684 -0.114 21.270 1.00 22.20 H new ATOM 0 HB2 LEU A 67 -11.940 1.456 23.097 1.00 1.32 H new ATOM 0 HB3 LEU A 67 -11.968 -0.276 23.359 1.00 1.32 H new ATOM 0 HG LEU A 67 -10.125 0.371 21.895 1.00 21.52 H new ATOM 0 HD11 LEU A 67 -10.558 -1.164 20.025 1.00 44.30 H new ATOM 0 HD12 LEU A 67 -11.119 -1.834 21.575 1.00 44.30 H new ATOM 0 HD13 LEU A 67 -12.293 -1.155 20.422 1.00 44.30 H new ATOM 0 HD21 LEU A 67 -10.578 1.268 19.642 1.00 25.32 H new ATOM 0 HD22 LEU A 67 -12.309 1.374 20.040 1.00 25.32 H new ATOM 0 HD23 LEU A 67 -11.132 2.379 20.917 1.00 25.32 H new ATOM 1124 N GLU A 68 -14.666 0.532 24.361 1.00 45.01 N ATOM 1125 CA GLU A 68 -15.464 0.041 25.475 1.00 31.11 C ATOM 1126 C GLU A 68 -16.841 -0.403 24.982 1.00 33.44 C ATOM 1127 O GLU A 68 -17.502 -1.228 25.612 1.00 63.34 O ATOM 1128 CB GLU A 68 -15.600 1.137 26.541 1.00 31.53 C ATOM 1129 CG GLU A 68 -16.687 0.878 27.572 1.00 52.31 C ATOM 1130 CD GLU A 68 -16.410 1.571 28.891 1.00 75.24 C ATOM 1131 OE1 GLU A 68 -15.272 1.457 29.396 1.00 41.25 O ATOM 1132 OE2 GLU A 68 -17.329 2.233 29.420 1.00 60.33 O ATOM 0 H GLU A 68 -14.305 1.477 24.489 1.00 45.01 H new ATOM 0 HA GLU A 68 -14.965 -0.820 25.920 1.00 31.11 H new ATOM 0 HB2 GLU A 68 -14.646 1.246 27.056 1.00 31.53 H new ATOM 0 HB3 GLU A 68 -15.805 2.086 26.045 1.00 31.53 H new ATOM 0 HG2 GLU A 68 -17.645 1.220 27.180 1.00 52.31 H new ATOM 0 HG3 GLU A 68 -16.776 -0.195 27.740 1.00 52.31 H new ATOM 1139 N GLN A 69 -17.259 0.148 23.845 1.00 45.54 N ATOM 1140 CA GLN A 69 -18.547 -0.189 23.257 1.00 31.33 C ATOM 1141 C GLN A 69 -18.467 -1.506 22.489 1.00 54.04 C ATOM 1142 O GLN A 69 -19.295 -2.397 22.679 1.00 73.31 O ATOM 1143 CB GLN A 69 -19.013 0.935 22.324 1.00 42.43 C ATOM 1144 CG GLN A 69 -20.504 0.895 22.027 1.00 52.05 C ATOM 1145 CD GLN A 69 -21.315 1.791 22.947 1.00 70.01 C ATOM 1146 OE1 GLN A 69 -22.242 2.473 22.507 1.00 75.11 O ATOM 1147 NE2 GLN A 69 -20.973 1.798 24.230 1.00 70.13 N ATOM 0 H GLN A 69 -16.720 0.832 23.313 1.00 45.54 H new ATOM 0 HA GLN A 69 -19.270 -0.305 24.064 1.00 31.33 H new ATOM 0 HB2 GLN A 69 -18.765 1.896 22.774 1.00 42.43 H new ATOM 0 HB3 GLN A 69 -18.461 0.871 21.386 1.00 42.43 H new ATOM 0 HG2 GLN A 69 -20.672 1.198 20.993 1.00 52.05 H new ATOM 0 HG3 GLN A 69 -20.860 -0.131 22.121 1.00 52.05 H new ATOM 0 HE21 GLN A 69 -20.199 1.219 24.555 1.00 70.13 H new ATOM 0 HE22 GLN A 69 -21.484 2.383 24.891 1.00 70.13 H new ATOM 1156 N GLU A 70 -17.469 -1.620 21.620 1.00 3.11 N ATOM 1157 CA GLU A 70 -17.286 -2.828 20.823 1.00 33.15 C ATOM 1158 C GLU A 70 -16.781 -3.981 21.683 1.00 4.01 C ATOM 1159 O GLU A 70 -17.107 -5.142 21.433 1.00 44.01 O ATOM 1160 CB GLU A 70 -16.313 -2.565 19.674 1.00 60.04 C ATOM 1161 CG GLU A 70 -16.871 -1.634 18.607 1.00 12.23 C ATOM 1162 CD GLU A 70 -17.478 -2.383 17.437 1.00 62.35 C ATOM 1163 OE1 GLU A 70 -18.492 -3.082 17.642 1.00 22.20 O ATOM 1164 OE2 GLU A 70 -16.939 -2.269 16.316 1.00 42.42 O ATOM 0 H GLU A 70 -16.775 -0.892 21.449 1.00 3.11 H new ATOM 0 HA GLU A 70 -18.255 -3.109 20.410 1.00 33.15 H new ATOM 0 HB2 GLU A 70 -15.396 -2.135 20.076 1.00 60.04 H new ATOM 0 HB3 GLU A 70 -16.044 -3.515 19.212 1.00 60.04 H new ATOM 0 HG2 GLU A 70 -17.628 -0.989 19.053 1.00 12.23 H new ATOM 0 HG3 GLU A 70 -16.074 -0.985 18.244 1.00 12.23 H new ATOM 1171 N MET A 71 -15.983 -3.659 22.699 1.00 72.11 N ATOM 1172 CA MET A 71 -15.440 -4.682 23.589 1.00 42.11 C ATOM 1173 C MET A 71 -16.559 -5.553 24.157 1.00 0.22 C ATOM 1174 O MET A 71 -16.471 -6.780 24.133 1.00 15.12 O ATOM 1175 CB MET A 71 -14.606 -4.034 24.711 1.00 44.14 C ATOM 1176 CG MET A 71 -15.162 -4.207 26.119 1.00 2.34 C ATOM 1177 SD MET A 71 -13.903 -3.973 27.387 1.00 23.31 S ATOM 1178 CE MET A 71 -13.321 -2.325 26.998 1.00 23.35 C ATOM 0 H MET A 71 -15.700 -2.706 22.925 1.00 72.11 H new ATOM 0 HA MET A 71 -14.779 -5.329 23.013 1.00 42.11 H new ATOM 0 HB2 MET A 71 -13.600 -4.453 24.681 1.00 44.14 H new ATOM 0 HB3 MET A 71 -14.514 -2.968 24.503 1.00 44.14 H new ATOM 0 HG2 MET A 71 -15.971 -3.494 26.278 1.00 2.34 H new ATOM 0 HG3 MET A 71 -15.592 -5.204 26.217 1.00 2.34 H new ATOM 0 HE1 MET A 71 -12.351 -2.162 27.467 1.00 23.35 H new ATOM 0 HE2 MET A 71 -13.224 -2.219 25.918 1.00 23.35 H new ATOM 0 HE3 MET A 71 -14.033 -1.590 27.372 1.00 23.35 H new ATOM 1188 N VAL A 72 -17.611 -4.916 24.662 1.00 73.42 N ATOM 1189 CA VAL A 72 -18.740 -5.648 25.226 1.00 11.44 C ATOM 1190 C VAL A 72 -19.250 -6.689 24.241 1.00 55.10 C ATOM 1191 O VAL A 72 -19.287 -7.877 24.545 1.00 31.33 O ATOM 1192 CB VAL A 72 -19.897 -4.699 25.604 1.00 43.11 C ATOM 1193 CG1 VAL A 72 -21.087 -5.475 26.164 1.00 1.44 C ATOM 1194 CG2 VAL A 72 -19.419 -3.659 26.600 1.00 54.21 C ATOM 0 H VAL A 72 -17.705 -3.901 24.692 1.00 73.42 H new ATOM 0 HA VAL A 72 -18.384 -6.143 26.130 1.00 11.44 H new ATOM 0 HB VAL A 72 -20.229 -4.190 24.699 1.00 43.11 H new ATOM 0 HG11 VAL A 72 -21.886 -4.780 26.421 1.00 1.44 H new ATOM 0 HG12 VAL A 72 -21.447 -6.180 25.415 1.00 1.44 H new ATOM 0 HG13 VAL A 72 -20.779 -6.020 27.056 1.00 1.44 H new ATOM 0 HG21 VAL A 72 -20.245 -2.996 26.858 1.00 54.21 H new ATOM 0 HG22 VAL A 72 -19.058 -4.156 27.500 1.00 54.21 H new ATOM 0 HG23 VAL A 72 -18.611 -3.077 26.158 1.00 54.21 H new ATOM 1204 N ASN A 73 -19.632 -6.235 23.056 1.00 64.34 N ATOM 1205 CA ASN A 73 -20.133 -7.132 22.020 1.00 33.53 C ATOM 1206 C ASN A 73 -19.155 -8.276 21.763 1.00 45.13 C ATOM 1207 O ASN A 73 -19.527 -9.307 21.203 1.00 11.01 O ATOM 1208 CB ASN A 73 -20.386 -6.360 20.724 1.00 64.34 C ATOM 1209 CG ASN A 73 -21.790 -6.569 20.193 1.00 32.25 C ATOM 1210 OD1 ASN A 73 -22.101 -7.613 19.620 1.00 4.54 O ATOM 1211 ND2 ASN A 73 -22.648 -5.573 20.383 1.00 43.31 N ATOM 0 H ASN A 73 -19.605 -5.252 22.786 1.00 64.34 H new ATOM 0 HA ASN A 73 -21.073 -7.557 22.371 1.00 33.53 H new ATOM 0 HB2 ASN A 73 -20.221 -5.297 20.899 1.00 64.34 H new ATOM 0 HB3 ASN A 73 -19.664 -6.674 19.970 1.00 64.34 H new ATOM 0 HD21 ASN A 73 -23.608 -5.656 20.049 1.00 43.31 H new ATOM 0 HD22 ASN A 73 -22.347 -4.725 20.863 1.00 43.31 H new ATOM 1218 N PHE A 74 -17.903 -8.095 22.169 1.00 74.22 N ATOM 1219 CA PHE A 74 -16.890 -9.119 21.974 1.00 43.41 C ATOM 1220 C PHE A 74 -16.749 -10.003 23.209 1.00 53.44 C ATOM 1221 O PHE A 74 -16.792 -11.228 23.111 1.00 24.31 O ATOM 1222 CB PHE A 74 -15.542 -8.479 21.642 1.00 54.04 C ATOM 1223 CG PHE A 74 -14.530 -9.458 21.124 1.00 3.15 C ATOM 1224 CD1 PHE A 74 -14.700 -10.062 19.890 1.00 73.25 C ATOM 1225 CD2 PHE A 74 -13.409 -9.778 21.873 1.00 23.30 C ATOM 1226 CE1 PHE A 74 -13.773 -10.967 19.411 1.00 32.35 C ATOM 1227 CE2 PHE A 74 -12.478 -10.683 21.401 1.00 1.20 C ATOM 1228 CZ PHE A 74 -12.660 -11.277 20.167 1.00 14.42 C ATOM 0 H PHE A 74 -17.569 -7.251 22.633 1.00 74.22 H new ATOM 0 HA PHE A 74 -17.209 -9.743 21.139 1.00 43.41 H new ATOM 0 HB2 PHE A 74 -15.693 -7.696 20.899 1.00 54.04 H new ATOM 0 HB3 PHE A 74 -15.146 -7.998 22.536 1.00 54.04 H new ATOM 0 HD1 PHE A 74 -15.568 -9.823 19.294 1.00 73.25 H new ATOM 0 HD2 PHE A 74 -13.261 -9.314 22.837 1.00 23.30 H new ATOM 0 HE1 PHE A 74 -13.918 -11.431 18.447 1.00 32.35 H new ATOM 0 HE2 PHE A 74 -11.610 -10.926 21.995 1.00 1.20 H new ATOM 0 HZ PHE A 74 -11.933 -11.983 19.794 1.00 14.42 H new ATOM 1238 N LEU A 75 -16.556 -9.377 24.366 1.00 52.12 N ATOM 1239 CA LEU A 75 -16.377 -10.114 25.615 1.00 13.42 C ATOM 1240 C LEU A 75 -17.639 -10.123 26.474 1.00 31.53 C ATOM 1241 O LEU A 75 -18.024 -11.160 27.014 1.00 14.55 O ATOM 1242 CB LEU A 75 -15.227 -9.497 26.410 1.00 43.21 C ATOM 1243 CG LEU A 75 -13.987 -9.140 25.586 1.00 43.31 C ATOM 1244 CD1 LEU A 75 -13.546 -7.710 25.863 1.00 63.10 C ATOM 1245 CD2 LEU A 75 -12.853 -10.111 25.876 1.00 74.13 C ATOM 0 H LEU A 75 -16.519 -8.363 24.466 1.00 52.12 H new ATOM 0 HA LEU A 75 -16.152 -11.148 25.354 1.00 13.42 H new ATOM 0 HB2 LEU A 75 -15.589 -8.595 26.903 1.00 43.21 H new ATOM 0 HB3 LEU A 75 -14.934 -10.193 27.196 1.00 43.21 H new ATOM 0 HG LEU A 75 -14.248 -9.219 24.531 1.00 43.31 H new ATOM 0 HD11 LEU A 75 -12.663 -7.479 25.266 1.00 63.10 H new ATOM 0 HD12 LEU A 75 -14.351 -7.024 25.600 1.00 63.10 H new ATOM 0 HD13 LEU A 75 -13.307 -7.601 26.921 1.00 63.10 H new ATOM 0 HD21 LEU A 75 -11.981 -9.840 25.281 1.00 74.13 H new ATOM 0 HD22 LEU A 75 -12.598 -10.066 26.935 1.00 74.13 H new ATOM 0 HD23 LEU A 75 -13.167 -11.123 25.621 1.00 74.13 H new ATOM 1257 N PHE A 76 -18.261 -8.961 26.620 1.00 73.34 N ATOM 1258 CA PHE A 76 -19.460 -8.832 27.447 1.00 61.03 C ATOM 1259 C PHE A 76 -20.741 -8.914 26.634 1.00 53.21 C ATOM 1260 O PHE A 76 -21.756 -8.323 27.003 1.00 1.11 O ATOM 1261 CB PHE A 76 -19.440 -7.512 28.177 1.00 51.14 C ATOM 1262 CG PHE A 76 -18.233 -7.330 29.035 1.00 33.21 C ATOM 1263 CD1 PHE A 76 -17.974 -8.208 30.072 1.00 44.41 C ATOM 1264 CD2 PHE A 76 -17.354 -6.288 28.802 1.00 2.43 C ATOM 1265 CE1 PHE A 76 -16.858 -8.050 30.863 1.00 73.25 C ATOM 1266 CE2 PHE A 76 -16.236 -6.125 29.590 1.00 14.30 C ATOM 1267 CZ PHE A 76 -15.989 -7.007 30.620 1.00 10.35 C ATOM 0 H PHE A 76 -17.958 -8.093 26.178 1.00 73.34 H new ATOM 0 HA PHE A 76 -19.449 -9.666 28.149 1.00 61.03 H new ATOM 0 HB2 PHE A 76 -19.485 -6.702 27.449 1.00 51.14 H new ATOM 0 HB3 PHE A 76 -20.333 -7.434 28.797 1.00 51.14 H new ATOM 0 HD1 PHE A 76 -18.654 -9.025 30.263 1.00 44.41 H new ATOM 0 HD2 PHE A 76 -17.546 -5.596 27.995 1.00 2.43 H new ATOM 0 HE1 PHE A 76 -16.664 -8.740 31.671 1.00 73.25 H new ATOM 0 HE2 PHE A 76 -15.555 -5.308 29.401 1.00 14.30 H new ATOM 0 HZ PHE A 76 -15.113 -6.881 31.238 1.00 10.35 H new ATOM 1277 N GLU A 77 -20.691 -9.627 25.530 1.00 54.11 N ATOM 1278 CA GLU A 77 -21.853 -9.778 24.652 1.00 1.24 C ATOM 1279 C GLU A 77 -22.981 -10.560 25.328 1.00 64.35 C ATOM 1280 O GLU A 77 -23.690 -11.329 24.680 1.00 22.34 O ATOM 1281 CB GLU A 77 -21.458 -10.469 23.347 1.00 71.23 C ATOM 1282 CG GLU A 77 -22.265 -9.999 22.144 1.00 55.43 C ATOM 1283 CD GLU A 77 -23.104 -11.103 21.528 1.00 0.31 C ATOM 1284 OE1 GLU A 77 -22.764 -12.289 21.727 1.00 30.04 O ATOM 1285 OE2 GLU A 77 -24.098 -10.782 20.844 1.00 31.00 O ATOM 0 H GLU A 77 -19.857 -10.118 25.209 1.00 54.11 H new ATOM 0 HA GLU A 77 -22.220 -8.775 24.433 1.00 1.24 H new ATOM 0 HB2 GLU A 77 -20.400 -10.291 23.157 1.00 71.23 H new ATOM 0 HB3 GLU A 77 -21.585 -11.545 23.462 1.00 71.23 H new ATOM 0 HG2 GLU A 77 -22.917 -9.180 22.448 1.00 55.43 H new ATOM 0 HG3 GLU A 77 -21.586 -9.602 21.390 1.00 55.43 H new ATOM 1292 N GLY A 78 -23.152 -10.348 26.627 1.00 23.53 N ATOM 1293 CA GLY A 78 -24.196 -11.018 27.370 1.00 62.55 C ATOM 1294 C GLY A 78 -25.099 -10.034 28.089 1.00 72.21 C ATOM 1295 O GLY A 78 -26.205 -10.381 28.505 1.00 64.15 O ATOM 0 H GLY A 78 -22.577 -9.715 27.183 1.00 23.53 H new ATOM 0 HA2 GLY A 78 -24.792 -11.627 26.690 1.00 62.55 H new ATOM 0 HA3 GLY A 78 -23.747 -11.696 28.096 1.00 62.55 H new ATOM 1299 N LYS A 79 -24.625 -8.797 28.228 1.00 32.33 N ATOM 1300 CA LYS A 79 -25.388 -7.747 28.889 1.00 32.52 C ATOM 1301 C LYS A 79 -25.314 -6.454 28.078 1.00 51.14 C ATOM 1302 O LYS A 79 -24.841 -5.425 28.563 1.00 73.20 O ATOM 1303 CB LYS A 79 -24.859 -7.521 30.310 1.00 2.30 C ATOM 1304 CG LYS A 79 -25.852 -7.906 31.396 1.00 54.35 C ATOM 1305 CD LYS A 79 -26.723 -6.727 31.800 1.00 61.23 C ATOM 1306 CE LYS A 79 -28.201 -7.084 31.757 1.00 14.24 C ATOM 1307 NZ LYS A 79 -29.036 -5.933 31.317 1.00 33.31 N ATOM 0 H LYS A 79 -23.710 -8.499 27.888 1.00 32.33 H new ATOM 0 HA LYS A 79 -26.431 -8.057 28.954 1.00 32.52 H new ATOM 0 HB2 LYS A 79 -23.944 -8.098 30.444 1.00 2.30 H new ATOM 0 HB3 LYS A 79 -24.594 -6.470 30.427 1.00 2.30 H new ATOM 0 HG2 LYS A 79 -26.483 -8.721 31.041 1.00 54.35 H new ATOM 0 HG3 LYS A 79 -25.313 -8.277 32.268 1.00 54.35 H new ATOM 0 HD2 LYS A 79 -26.455 -6.403 32.806 1.00 61.23 H new ATOM 0 HD3 LYS A 79 -26.531 -5.886 31.133 1.00 61.23 H new ATOM 0 HE2 LYS A 79 -28.352 -7.923 31.078 1.00 14.24 H new ATOM 0 HE3 LYS A 79 -28.525 -7.411 32.745 1.00 14.24 H new ATOM 0 HZ1 LYS A 79 -30.037 -6.216 31.301 1.00 33.31 H new ATOM 0 HZ2 LYS A 79 -28.911 -5.141 31.979 1.00 33.31 H new ATOM 0 HZ3 LYS A 79 -28.744 -5.637 30.364 1.00 33.31 H new ATOM 1321 N GLU A 80 -25.777 -6.521 26.833 1.00 54.33 N ATOM 1322 CA GLU A 80 -25.760 -5.367 25.937 1.00 42.52 C ATOM 1323 C GLU A 80 -26.369 -4.134 26.599 1.00 1.35 C ATOM 1324 O GLU A 80 -27.568 -4.093 26.873 1.00 50.30 O ATOM 1325 CB GLU A 80 -26.518 -5.685 24.646 1.00 72.03 C ATOM 1326 CG GLU A 80 -26.189 -7.049 24.062 1.00 31.34 C ATOM 1327 CD GLU A 80 -26.099 -7.028 22.548 1.00 54.44 C ATOM 1328 OE1 GLU A 80 -27.052 -6.540 21.904 1.00 30.25 O ATOM 1329 OE2 GLU A 80 -25.076 -7.497 22.007 1.00 51.11 O ATOM 0 H GLU A 80 -26.171 -7.366 26.419 1.00 54.33 H new ATOM 0 HA GLU A 80 -24.718 -5.149 25.703 1.00 42.52 H new ATOM 0 HB2 GLU A 80 -27.589 -5.633 24.842 1.00 72.03 H new ATOM 0 HB3 GLU A 80 -26.292 -4.919 23.905 1.00 72.03 H new ATOM 0 HG2 GLU A 80 -25.242 -7.398 24.474 1.00 31.34 H new ATOM 0 HG3 GLU A 80 -26.952 -7.765 24.367 1.00 31.34 H new ATOM 1336 N VAL A 81 -25.533 -3.129 26.848 1.00 1.11 N ATOM 1337 CA VAL A 81 -25.983 -1.896 27.469 1.00 33.02 C ATOM 1338 C VAL A 81 -26.608 -0.961 26.439 1.00 43.32 C ATOM 1339 O VAL A 81 -26.101 -0.821 25.325 1.00 70.23 O ATOM 1340 CB VAL A 81 -24.815 -1.176 28.166 1.00 62.31 C ATOM 1341 CG1 VAL A 81 -25.310 0.055 28.899 1.00 44.42 C ATOM 1342 CG2 VAL A 81 -24.098 -2.117 29.122 1.00 2.11 C ATOM 0 H VAL A 81 -24.538 -3.149 26.627 1.00 1.11 H new ATOM 0 HA VAL A 81 -26.736 -2.161 28.212 1.00 33.02 H new ATOM 0 HB VAL A 81 -24.104 -0.858 27.403 1.00 62.31 H new ATOM 0 HG11 VAL A 81 -24.470 0.551 29.386 1.00 44.42 H new ATOM 0 HG12 VAL A 81 -25.774 0.740 28.189 1.00 44.42 H new ATOM 0 HG13 VAL A 81 -26.043 -0.239 29.651 1.00 44.42 H new ATOM 0 HG21 VAL A 81 -23.276 -1.589 29.604 1.00 2.11 H new ATOM 0 HG22 VAL A 81 -24.798 -2.468 29.880 1.00 2.11 H new ATOM 0 HG23 VAL A 81 -23.706 -2.970 28.568 1.00 2.11 H new ATOM 1352 N HIS A 82 -27.710 -0.322 26.817 1.00 1.34 N ATOM 1353 CA HIS A 82 -28.403 0.601 25.927 1.00 24.43 C ATOM 1354 C HIS A 82 -28.181 2.046 26.360 1.00 41.42 C ATOM 1355 O HIS A 82 -27.604 2.306 27.416 1.00 1.31 O ATOM 1356 CB HIS A 82 -29.900 0.287 25.898 1.00 12.43 C ATOM 1357 CG HIS A 82 -30.234 -0.930 25.094 1.00 72.21 C ATOM 1358 ND1 HIS A 82 -31.410 -1.065 24.386 1.00 25.14 N ATOM 1359 CD2 HIS A 82 -29.540 -2.074 24.885 1.00 64.43 C ATOM 1360 CE1 HIS A 82 -31.425 -2.237 23.778 1.00 2.20 C ATOM 1361 NE2 HIS A 82 -30.301 -2.868 24.064 1.00 45.11 N ATOM 0 H HIS A 82 -28.142 -0.427 27.735 1.00 1.34 H new ATOM 0 HA HIS A 82 -27.994 0.476 24.924 1.00 24.43 H new ATOM 0 HB2 HIS A 82 -30.255 0.148 26.919 1.00 12.43 H new ATOM 0 HB3 HIS A 82 -30.436 1.143 25.488 1.00 12.43 H new ATOM 0 HD2 HIS A 82 -28.568 -2.316 25.289 1.00 64.43 H new ATOM 0 HE1 HIS A 82 -32.221 -2.615 23.153 1.00 2.20 H new ATOM 0 HE2 HIS A 82 -30.040 -3.796 23.729 1.00 45.11 H new ATOM 1369 N ILE A 83 -28.641 2.982 25.537 1.00 41.44 N ATOM 1370 CA ILE A 83 -28.488 4.403 25.831 1.00 51.00 C ATOM 1371 C ILE A 83 -29.549 4.886 26.815 1.00 64.22 C ATOM 1372 O ILE A 83 -30.702 4.455 26.762 1.00 51.35 O ATOM 1373 CB ILE A 83 -28.576 5.252 24.550 1.00 32.41 C ATOM 1374 CG1 ILE A 83 -27.654 4.681 23.472 1.00 3.23 C ATOM 1375 CG2 ILE A 83 -28.227 6.703 24.846 1.00 53.41 C ATOM 1376 CD1 ILE A 83 -28.350 3.714 22.539 1.00 15.41 C ATOM 0 H ILE A 83 -29.123 2.783 24.661 1.00 41.44 H new ATOM 0 HA ILE A 83 -27.501 4.525 26.278 1.00 51.00 H new ATOM 0 HB ILE A 83 -29.601 5.219 24.179 1.00 32.41 H new ATOM 0 HG12 ILE A 83 -27.237 5.502 22.888 1.00 3.23 H new ATOM 0 HG13 ILE A 83 -26.817 4.174 23.951 1.00 3.23 H new ATOM 0 HG21 ILE A 83 -28.295 7.288 23.929 1.00 53.41 H new ATOM 0 HG22 ILE A 83 -28.924 7.102 25.583 1.00 53.41 H new ATOM 0 HG23 ILE A 83 -27.212 6.760 25.239 1.00 53.41 H new ATOM 0 HD11 ILE A 83 -27.639 3.347 21.799 1.00 15.41 H new ATOM 0 HD12 ILE A 83 -28.743 2.874 23.112 1.00 15.41 H new ATOM 0 HD13 ILE A 83 -29.170 4.223 22.033 1.00 15.41 H new ATOM 1388 N GLU A 84 -29.150 5.787 27.705 1.00 1.31 N ATOM 1389 CA GLU A 84 -30.064 6.335 28.699 1.00 55.30 C ATOM 1390 C GLU A 84 -30.067 7.860 28.654 1.00 43.44 C ATOM 1391 O GLU A 84 -29.015 8.490 28.555 1.00 20.11 O ATOM 1392 CB GLU A 84 -29.679 5.858 30.099 1.00 43.15 C ATOM 1393 CG GLU A 84 -30.820 5.939 31.099 1.00 21.54 C ATOM 1394 CD GLU A 84 -30.392 6.529 32.429 1.00 12.54 C ATOM 1395 OE1 GLU A 84 -29.174 6.547 32.706 1.00 44.45 O ATOM 1396 OE2 GLU A 84 -31.273 6.974 33.192 1.00 0.44 O ATOM 0 H GLU A 84 -28.200 6.153 27.758 1.00 1.31 H new ATOM 0 HA GLU A 84 -31.067 5.979 28.465 1.00 55.30 H new ATOM 0 HB2 GLU A 84 -29.330 4.827 30.040 1.00 43.15 H new ATOM 0 HB3 GLU A 84 -28.844 6.457 30.462 1.00 43.15 H new ATOM 0 HG2 GLU A 84 -31.623 6.545 30.679 1.00 21.54 H new ATOM 0 HG3 GLU A 84 -31.226 4.941 31.263 1.00 21.54 H new ATOM 1403 N GLY A 85 -31.258 8.446 28.725 1.00 74.03 N ATOM 1404 CA GLY A 85 -31.376 9.891 28.692 1.00 44.45 C ATOM 1405 C GLY A 85 -31.828 10.406 27.338 1.00 62.51 C ATOM 1406 O GLY A 85 -31.333 11.426 26.858 1.00 51.43 O ATOM 0 H GLY A 85 -32.143 7.945 28.805 1.00 74.03 H new ATOM 0 HA2 GLY A 85 -32.086 10.212 29.455 1.00 44.45 H new ATOM 0 HA3 GLY A 85 -30.414 10.337 28.944 1.00 44.45 H new ATOM 1410 N TYR A 86 -32.768 9.697 26.721 1.00 23.45 N ATOM 1411 CA TYR A 86 -33.287 10.087 25.416 1.00 62.13 C ATOM 1412 C TYR A 86 -34.573 10.895 25.567 1.00 32.32 C ATOM 1413 O TYR A 86 -35.572 10.397 26.088 1.00 34.34 O ATOM 1414 CB TYR A 86 -33.544 8.849 24.556 1.00 13.40 C ATOM 1415 CG TYR A 86 -33.210 9.046 23.094 1.00 33.51 C ATOM 1416 CD1 TYR A 86 -31.914 8.862 22.629 1.00 12.00 C ATOM 1417 CD2 TYR A 86 -34.190 9.414 22.182 1.00 70.14 C ATOM 1418 CE1 TYR A 86 -31.604 9.039 21.294 1.00 22.22 C ATOM 1419 CE2 TYR A 86 -33.888 9.593 20.845 1.00 4.42 C ATOM 1420 CZ TYR A 86 -32.595 9.404 20.406 1.00 21.22 C ATOM 1421 OH TYR A 86 -32.290 9.581 19.077 1.00 42.32 O ATOM 0 H TYR A 86 -33.186 8.849 27.104 1.00 23.45 H new ATOM 0 HA TYR A 86 -32.541 10.711 24.924 1.00 62.13 H new ATOM 0 HB2 TYR A 86 -32.956 8.018 24.945 1.00 13.40 H new ATOM 0 HB3 TYR A 86 -34.593 8.566 24.645 1.00 13.40 H new ATOM 0 HD1 TYR A 86 -31.136 8.576 23.322 1.00 12.00 H new ATOM 0 HD2 TYR A 86 -35.204 9.563 22.522 1.00 70.14 H new ATOM 0 HE1 TYR A 86 -30.592 8.892 20.948 1.00 22.22 H new ATOM 0 HE2 TYR A 86 -34.661 9.880 20.148 1.00 4.42 H new ATOM 0 HH TYR A 86 -33.099 9.836 18.587 1.00 42.32 H new ATOM 1431 N THR A 87 -34.540 12.144 25.112 1.00 34.54 N ATOM 1432 CA THR A 87 -35.704 13.019 25.203 1.00 13.52 C ATOM 1433 C THR A 87 -35.957 13.745 23.884 1.00 71.31 C ATOM 1434 O THR A 87 -35.412 14.823 23.646 1.00 14.22 O ATOM 1435 CB THR A 87 -35.510 14.040 26.322 1.00 53.41 C ATOM 1436 OG1 THR A 87 -34.364 14.836 26.080 1.00 61.40 O ATOM 1437 CG2 THR A 87 -35.349 13.407 27.687 1.00 74.10 C ATOM 0 H THR A 87 -33.722 12.572 24.678 1.00 34.54 H new ATOM 0 HA THR A 87 -36.571 12.397 25.424 1.00 13.52 H new ATOM 0 HB THR A 87 -36.417 14.644 26.324 1.00 53.41 H new ATOM 0 HG1 THR A 87 -34.376 15.154 25.153 1.00 61.40 H new ATOM 0 HG21 THR A 87 -35.215 14.187 28.436 1.00 74.10 H new ATOM 0 HG22 THR A 87 -36.239 12.824 27.925 1.00 74.10 H new ATOM 0 HG23 THR A 87 -34.477 12.753 27.684 1.00 74.10 H new ATOM 1445 N PRO A 88 -36.794 13.164 23.008 1.00 52.40 N ATOM 1446 CA PRO A 88 -37.121 13.768 21.713 1.00 15.22 C ATOM 1447 C PRO A 88 -38.084 14.943 21.852 1.00 14.22 C ATOM 1448 O PRO A 88 -39.247 14.764 22.213 1.00 24.20 O ATOM 1449 CB PRO A 88 -37.784 12.620 20.953 1.00 70.12 C ATOM 1450 CG PRO A 88 -38.398 11.773 22.015 1.00 61.15 C ATOM 1451 CD PRO A 88 -37.493 11.880 23.214 1.00 62.05 C ATOM 0 HA PRO A 88 -36.242 14.178 21.215 1.00 15.22 H new ATOM 0 HB2 PRO A 88 -38.536 12.988 20.255 1.00 70.12 H new ATOM 0 HB3 PRO A 88 -37.055 12.058 20.369 1.00 70.12 H new ATOM 0 HG2 PRO A 88 -39.404 12.118 22.255 1.00 61.15 H new ATOM 0 HG3 PRO A 88 -38.486 10.738 21.685 1.00 61.15 H new ATOM 0 HD2 PRO A 88 -38.059 11.877 24.145 1.00 62.05 H new ATOM 0 HD3 PRO A 88 -36.793 11.046 23.264 1.00 62.05 H new ATOM 1459 N GLU A 89 -37.592 16.146 21.568 1.00 42.21 N ATOM 1460 CA GLU A 89 -38.410 17.350 21.666 1.00 12.41 C ATOM 1461 C GLU A 89 -39.469 17.391 20.568 1.00 22.14 C ATOM 1462 O GLU A 89 -40.563 17.920 20.770 1.00 73.11 O ATOM 1463 CB GLU A 89 -37.529 18.598 21.586 1.00 52.44 C ATOM 1464 CG GLU A 89 -36.627 18.628 20.364 1.00 54.22 C ATOM 1465 CD GLU A 89 -35.183 18.306 20.697 1.00 4.33 C ATOM 1466 OE1 GLU A 89 -34.908 17.151 21.087 1.00 40.40 O ATOM 1467 OE2 GLU A 89 -34.327 19.206 20.566 1.00 31.15 O ATOM 0 H GLU A 89 -36.631 16.312 21.268 1.00 42.21 H new ATOM 0 HA GLU A 89 -38.919 17.330 22.630 1.00 12.41 H new ATOM 0 HB2 GLU A 89 -38.166 19.482 21.579 1.00 52.44 H new ATOM 0 HB3 GLU A 89 -36.913 18.656 22.483 1.00 52.44 H new ATOM 0 HG2 GLU A 89 -36.994 17.913 19.628 1.00 54.22 H new ATOM 0 HG3 GLU A 89 -36.678 19.614 19.903 1.00 54.22 H new ATOM 1474 N ASP A 90 -39.141 16.832 19.407 1.00 50.34 N ATOM 1475 CA ASP A 90 -40.070 16.810 18.283 1.00 5.33 C ATOM 1476 C ASP A 90 -39.492 16.022 17.112 1.00 42.23 C ATOM 1477 O ASP A 90 -40.187 15.222 16.486 1.00 5.20 O ATOM 1478 CB ASP A 90 -40.404 18.237 17.843 1.00 31.34 C ATOM 1479 CG ASP A 90 -41.552 18.285 16.855 1.00 74.42 C ATOM 1480 OD1 ASP A 90 -41.447 17.646 15.787 1.00 45.10 O ATOM 1481 OD2 ASP A 90 -42.559 18.966 17.148 1.00 62.52 O ATOM 0 H ASP A 90 -38.241 16.389 19.221 1.00 50.34 H new ATOM 0 HA ASP A 90 -40.985 16.316 18.609 1.00 5.33 H new ATOM 0 HB2 ASP A 90 -40.657 18.834 18.719 1.00 31.34 H new ATOM 0 HB3 ASP A 90 -39.521 18.691 17.392 1.00 31.34 H new ATOM 1486 N LYS A 91 -38.215 16.249 16.823 1.00 5.12 N ATOM 1487 CA LYS A 91 -37.545 15.556 15.728 1.00 32.13 C ATOM 1488 C LYS A 91 -37.066 14.178 16.174 1.00 14.42 C ATOM 1489 O LYS A 91 -35.881 13.977 16.442 1.00 12.31 O ATOM 1490 CB LYS A 91 -36.359 16.382 15.222 1.00 22.13 C ATOM 1491 CG LYS A 91 -35.921 16.011 13.815 1.00 11.13 C ATOM 1492 CD LYS A 91 -36.001 17.200 12.871 1.00 51.34 C ATOM 1493 CE LYS A 91 -35.169 16.973 11.617 1.00 0.22 C ATOM 1494 NZ LYS A 91 -34.438 18.203 11.208 1.00 35.33 N ATOM 0 H LYS A 91 -37.624 16.907 17.331 1.00 5.12 H new ATOM 0 HA LYS A 91 -38.262 15.429 14.917 1.00 32.13 H new ATOM 0 HB2 LYS A 91 -36.626 17.439 15.245 1.00 22.13 H new ATOM 0 HB3 LYS A 91 -35.518 16.251 15.903 1.00 22.13 H new ATOM 0 HG2 LYS A 91 -34.899 15.634 13.839 1.00 11.13 H new ATOM 0 HG3 LYS A 91 -36.550 15.204 13.439 1.00 11.13 H new ATOM 0 HD2 LYS A 91 -37.040 17.376 12.593 1.00 51.34 H new ATOM 0 HD3 LYS A 91 -35.652 18.097 13.383 1.00 51.34 H new ATOM 0 HE2 LYS A 91 -34.455 16.169 11.795 1.00 0.22 H new ATOM 0 HE3 LYS A 91 -35.818 16.649 10.804 1.00 0.22 H new ATOM 0 HZ1 LYS A 91 -33.883 18.008 10.350 1.00 35.33 H new ATOM 0 HZ2 LYS A 91 -35.120 18.964 11.014 1.00 35.33 H new ATOM 0 HZ3 LYS A 91 -33.799 18.498 11.974 1.00 35.33 H new ATOM 1508 N LYS A 92 -37.996 13.231 16.255 1.00 73.12 N ATOM 1509 CA LYS A 92 -37.673 11.870 16.675 1.00 22.12 C ATOM 1510 C LYS A 92 -36.585 11.264 15.794 1.00 70.24 C ATOM 1511 O LYS A 92 -35.453 11.065 16.238 1.00 31.04 O ATOM 1512 CB LYS A 92 -38.929 10.994 16.638 1.00 32.32 C ATOM 1513 CG LYS A 92 -38.742 9.632 17.286 1.00 74.24 C ATOM 1514 CD LYS A 92 -38.661 8.524 16.246 1.00 52.14 C ATOM 1515 CE LYS A 92 -39.993 7.810 16.085 1.00 22.32 C ATOM 1516 NZ LYS A 92 -40.631 8.112 14.773 1.00 40.43 N ATOM 0 H LYS A 92 -38.981 13.381 16.035 1.00 73.12 H new ATOM 0 HA LYS A 92 -37.296 11.913 17.697 1.00 22.12 H new ATOM 0 HB2 LYS A 92 -39.742 11.518 17.141 1.00 32.32 H new ATOM 0 HB3 LYS A 92 -39.234 10.855 15.601 1.00 32.32 H new ATOM 0 HG2 LYS A 92 -37.832 9.636 17.886 1.00 74.24 H new ATOM 0 HG3 LYS A 92 -39.571 9.435 17.965 1.00 74.24 H new ATOM 0 HD2 LYS A 92 -38.355 8.945 15.288 1.00 52.14 H new ATOM 0 HD3 LYS A 92 -37.895 7.805 16.538 1.00 52.14 H new ATOM 0 HE2 LYS A 92 -39.841 6.734 16.176 1.00 22.32 H new ATOM 0 HE3 LYS A 92 -40.664 8.107 16.891 1.00 22.32 H new ATOM 0 HZ1 LYS A 92 -41.537 7.606 14.703 1.00 40.43 H new ATOM 0 HZ2 LYS A 92 -40.799 9.135 14.696 1.00 40.43 H new ATOM 0 HZ3 LYS A 92 -40.003 7.806 14.003 1.00 40.43 H new TER 1530 LYS A 92