USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 624 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 35 SER OG : rot 128:sc=-0.000399 USER MOD Set 1.2: A 41 MET CE :methyl 158:sc= -0.83 (180deg=-2.01) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.0017 X(o=-0.0017,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 113:sc= -0.201 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.025 USER MOD Single : A 17 GLN : amide:sc= -1.91! C(o=-1.9!,f=-2.5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.17) USER MOD Single : A 27 MET CE :methyl -125:sc= -1.28 (180deg=-6.55!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc=-0.00088 X(o=-0.00088,f=-0.00088) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.269 USER MOD Single : A 38 SER OG : rot -109:sc= -0.0974 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.732 K(o=-0.73,f=-0.11) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 105:sc= -0.841 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -0.0348 X(o=-0.035,f=0) USER MOD Single : A 70 HIS : no HE2:sc= -1.45 K(o=-1.5,f=-2.2) USER MOD Single : A 71 ASN : amide:sc= 0.00117 X(o=0.0012,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 5.800 5.970 -9.207 1.00 62.14 N ATOM 2 CA GLY A 2 6.480 4.972 -8.403 1.00 32.53 C ATOM 3 C GLY A 2 7.433 4.121 -9.218 1.00 24.10 C ATOM 4 O GLY A 2 8.471 4.602 -9.672 1.00 23.41 O ATOM 0 HA2 GLY A 2 7.033 5.468 -7.605 1.00 32.53 H new ATOM 0 HA3 GLY A 2 5.740 4.329 -7.926 1.00 32.53 H new ATOM 8 N ALA A 3 7.082 2.853 -9.403 1.00 20.41 N ATOM 9 CA ALA A 3 7.914 1.933 -10.169 1.00 42.31 C ATOM 10 C ALA A 3 9.280 1.754 -9.515 1.00 41.31 C ATOM 11 O ALA A 3 10.167 2.594 -9.669 1.00 31.43 O ATOM 12 CB ALA A 3 8.072 2.431 -11.598 1.00 63.33 C ATOM 0 H ALA A 3 6.227 2.439 -9.033 1.00 20.41 H new ATOM 0 HA ALA A 3 7.419 0.962 -10.186 1.00 42.31 H new ATOM 0 HB1 ALA A 3 8.695 1.735 -12.159 1.00 63.33 H new ATOM 0 HB2 ALA A 3 7.092 2.501 -12.069 1.00 63.33 H new ATOM 0 HB3 ALA A 3 8.542 3.414 -11.591 1.00 63.33 H new ATOM 18 N MET A 4 9.442 0.656 -8.785 1.00 30.32 N ATOM 19 CA MET A 4 10.701 0.367 -8.108 1.00 10.32 C ATOM 20 C MET A 4 11.077 -1.103 -8.263 1.00 44.21 C ATOM 21 O MET A 4 11.978 -1.445 -9.028 1.00 23.45 O ATOM 22 CB MET A 4 10.601 0.726 -6.624 1.00 13.10 C ATOM 23 CG MET A 4 10.732 2.215 -6.349 1.00 11.34 C ATOM 24 SD MET A 4 11.332 2.564 -4.684 1.00 72.34 S ATOM 25 CE MET A 4 9.995 3.571 -4.047 1.00 20.25 C ATOM 0 H MET A 4 8.717 -0.049 -8.647 1.00 30.32 H new ATOM 0 HA MET A 4 11.480 0.974 -8.570 1.00 10.32 H new ATOM 0 HB2 MET A 4 9.644 0.376 -6.238 1.00 13.10 H new ATOM 0 HB3 MET A 4 11.379 0.194 -6.077 1.00 13.10 H new ATOM 0 HG2 MET A 4 11.413 2.656 -7.076 1.00 11.34 H new ATOM 0 HG3 MET A 4 9.763 2.693 -6.489 1.00 11.34 H new ATOM 0 HE1 MET A 4 10.219 3.867 -3.022 1.00 20.25 H new ATOM 0 HE2 MET A 4 9.884 4.461 -4.666 1.00 20.25 H new ATOM 0 HE3 MET A 4 9.068 2.998 -4.065 1.00 20.25 H new ATOM 35 N GLY A 5 10.381 -1.968 -7.532 1.00 70.10 N ATOM 36 CA GLY A 5 10.658 -3.391 -7.603 1.00 53.12 C ATOM 37 C GLY A 5 11.594 -3.855 -6.506 1.00 5.14 C ATOM 38 O GLY A 5 12.754 -3.446 -6.457 1.00 40.42 O ATOM 0 H GLY A 5 9.630 -1.709 -6.892 1.00 70.10 H new ATOM 0 HA2 GLY A 5 9.721 -3.944 -7.535 1.00 53.12 H new ATOM 0 HA3 GLY A 5 11.096 -3.625 -8.573 1.00 53.12 H new ATOM 42 N GLN A 6 11.090 -4.710 -5.622 1.00 24.11 N ATOM 43 CA GLN A 6 11.891 -5.228 -4.518 1.00 55.23 C ATOM 44 C GLN A 6 11.301 -6.528 -3.981 1.00 53.50 C ATOM 45 O GLN A 6 10.731 -6.557 -2.891 1.00 22.03 O ATOM 46 CB GLN A 6 11.980 -4.192 -3.396 1.00 21.30 C ATOM 47 CG GLN A 6 12.916 -4.596 -2.269 1.00 23.55 C ATOM 48 CD GLN A 6 14.160 -3.731 -2.204 1.00 35.42 C ATOM 49 OE1 GLN A 6 14.472 -3.150 -1.164 1.00 60.22 O ATOM 50 NE2 GLN A 6 14.877 -3.641 -3.317 1.00 61.55 N ATOM 0 H GLN A 6 10.132 -5.059 -5.648 1.00 24.11 H new ATOM 0 HA GLN A 6 12.893 -5.434 -4.894 1.00 55.23 H new ATOM 0 HB2 GLN A 6 12.317 -3.243 -3.814 1.00 21.30 H new ATOM 0 HB3 GLN A 6 10.983 -4.025 -2.987 1.00 21.30 H new ATOM 0 HG2 GLN A 6 12.384 -4.532 -1.320 1.00 23.55 H new ATOM 0 HG3 GLN A 6 13.209 -5.638 -2.401 1.00 23.55 H new ATOM 0 HE21 GLN A 6 14.581 -4.140 -4.156 1.00 61.55 H new ATOM 0 HE22 GLN A 6 15.724 -3.073 -3.333 1.00 61.55 H new ATOM 59 N GLU A 7 11.441 -7.600 -4.754 1.00 41.34 N ATOM 60 CA GLU A 7 10.920 -8.902 -4.355 1.00 65.05 C ATOM 61 C GLU A 7 11.537 -10.016 -5.197 1.00 4.41 C ATOM 62 O GLU A 7 12.148 -9.760 -6.235 1.00 44.12 O ATOM 63 CB GLU A 7 9.397 -8.930 -4.491 1.00 34.12 C ATOM 64 CG GLU A 7 8.674 -9.194 -3.181 1.00 30.34 C ATOM 65 CD GLU A 7 8.273 -7.918 -2.468 1.00 13.52 C ATOM 66 OE1 GLU A 7 7.672 -7.038 -3.120 1.00 60.25 O ATOM 67 OE2 GLU A 7 8.559 -7.797 -1.258 1.00 62.35 O ATOM 0 H GLU A 7 11.910 -7.593 -5.659 1.00 41.34 H new ATOM 0 HA GLU A 7 11.188 -9.068 -3.311 1.00 65.05 H new ATOM 0 HB2 GLU A 7 9.059 -7.976 -4.897 1.00 34.12 H new ATOM 0 HB3 GLU A 7 9.119 -9.699 -5.211 1.00 34.12 H new ATOM 0 HG2 GLU A 7 7.784 -9.792 -3.376 1.00 30.34 H new ATOM 0 HG3 GLU A 7 9.317 -9.784 -2.528 1.00 30.34 H new ATOM 74 N THR A 8 11.374 -11.254 -4.741 1.00 53.32 N ATOM 75 CA THR A 8 11.915 -12.407 -5.449 1.00 40.34 C ATOM 76 C THR A 8 10.801 -13.328 -5.933 1.00 52.31 C ATOM 77 O THR A 8 10.932 -14.551 -5.892 1.00 32.14 O ATOM 78 CB THR A 8 12.880 -13.211 -4.558 1.00 71.22 C ATOM 79 OG1 THR A 8 12.180 -13.729 -3.421 1.00 62.02 O ATOM 80 CG2 THR A 8 14.039 -12.343 -4.094 1.00 43.40 C ATOM 0 H THR A 8 10.871 -11.484 -3.884 1.00 53.32 H new ATOM 0 HA THR A 8 12.462 -12.021 -6.309 1.00 40.34 H new ATOM 0 HB THR A 8 13.279 -14.037 -5.146 1.00 71.22 H new ATOM 0 HG1 THR A 8 12.800 -14.240 -2.860 1.00 62.02 H new ATOM 0 HG21 THR A 8 14.707 -12.933 -3.466 1.00 43.40 H new ATOM 0 HG22 THR A 8 14.587 -11.974 -4.961 1.00 43.40 H new ATOM 0 HG23 THR A 8 13.655 -11.499 -3.522 1.00 43.40 H new ATOM 88 N ASP A 9 9.705 -12.733 -6.392 1.00 44.32 N ATOM 89 CA ASP A 9 8.568 -13.500 -6.886 1.00 61.41 C ATOM 90 C ASP A 9 7.923 -12.808 -8.083 1.00 3.35 C ATOM 91 O ASP A 9 6.766 -12.393 -8.022 1.00 50.41 O ATOM 92 CB ASP A 9 7.535 -13.694 -5.775 1.00 52.41 C ATOM 93 CG ASP A 9 7.334 -12.440 -4.947 1.00 54.41 C ATOM 94 OD1 ASP A 9 6.696 -11.492 -5.452 1.00 30.03 O ATOM 95 OD2 ASP A 9 7.814 -12.405 -3.795 1.00 24.41 O ATOM 0 H ASP A 9 9.580 -11.721 -6.432 1.00 44.32 H new ATOM 0 HA ASP A 9 8.932 -14.476 -7.207 1.00 61.41 H new ATOM 0 HB2 ASP A 9 6.583 -13.992 -6.215 1.00 52.41 H new ATOM 0 HB3 ASP A 9 7.854 -14.508 -5.124 1.00 52.41 H new ATOM 100 N TRP A 10 8.680 -12.686 -9.167 1.00 51.21 N ATOM 101 CA TRP A 10 8.182 -12.042 -10.378 1.00 22.14 C ATOM 102 C TRP A 10 7.173 -12.934 -11.093 1.00 2.32 C ATOM 103 O TRP A 10 6.520 -12.507 -12.046 1.00 23.45 O ATOM 104 CB TRP A 10 9.343 -11.709 -11.317 1.00 14.34 C ATOM 105 CG TRP A 10 9.895 -12.907 -12.027 1.00 72.33 C ATOM 106 CD1 TRP A 10 10.481 -14.000 -11.456 1.00 64.43 C ATOM 107 CD2 TRP A 10 9.913 -13.132 -13.441 1.00 64.01 C ATOM 108 NE1 TRP A 10 10.864 -14.891 -12.430 1.00 74.32 N ATOM 109 CE2 TRP A 10 10.526 -14.382 -13.656 1.00 75.41 C ATOM 110 CE3 TRP A 10 9.471 -12.400 -14.546 1.00 72.11 C ATOM 111 CZ2 TRP A 10 10.706 -14.913 -14.931 1.00 31.24 C ATOM 112 CZ3 TRP A 10 9.651 -12.928 -15.810 1.00 72.14 C ATOM 113 CH2 TRP A 10 10.263 -14.175 -15.994 1.00 41.14 C ATOM 0 H TRP A 10 9.640 -13.024 -9.233 1.00 51.21 H new ATOM 0 HA TRP A 10 7.681 -11.118 -10.089 1.00 22.14 H new ATOM 0 HB2 TRP A 10 9.006 -10.981 -12.055 1.00 14.34 H new ATOM 0 HB3 TRP A 10 10.140 -11.236 -10.744 1.00 14.34 H new ATOM 0 HD1 TRP A 10 10.623 -14.143 -10.395 1.00 64.43 H new ATOM 0 HE1 TRP A 10 11.325 -15.786 -12.266 1.00 74.32 H new ATOM 0 HE3 TRP A 10 8.997 -11.439 -14.414 1.00 72.11 H new ATOM 0 HZ2 TRP A 10 11.179 -15.873 -15.075 1.00 31.24 H new ATOM 0 HZ3 TRP A 10 9.314 -12.370 -16.671 1.00 72.14 H new ATOM 0 HH2 TRP A 10 10.387 -14.561 -16.995 1.00 41.14 H new ATOM 124 N ARG A 11 7.050 -14.173 -10.628 1.00 4.54 N ATOM 125 CA ARG A 11 6.121 -15.124 -11.224 1.00 70.14 C ATOM 126 C ARG A 11 4.716 -14.940 -10.658 1.00 40.23 C ATOM 127 O ARG A 11 3.745 -15.475 -11.194 1.00 2.24 O ATOM 128 CB ARG A 11 6.597 -16.557 -10.979 1.00 63.02 C ATOM 129 CG ARG A 11 7.232 -17.205 -12.199 1.00 34.21 C ATOM 130 CD ARG A 11 8.036 -18.439 -11.819 1.00 51.44 C ATOM 131 NE ARG A 11 7.425 -19.666 -12.322 1.00 32.44 N ATOM 132 CZ ARG A 11 6.422 -20.290 -11.714 1.00 32.04 C ATOM 133 NH1 ARG A 11 5.919 -19.803 -10.587 1.00 64.24 N ATOM 134 NH2 ARG A 11 5.919 -21.403 -12.233 1.00 10.14 N ATOM 0 H ARG A 11 7.583 -14.541 -9.840 1.00 4.54 H new ATOM 0 HA ARG A 11 6.089 -14.937 -12.297 1.00 70.14 H new ATOM 0 HB2 ARG A 11 7.318 -16.557 -10.162 1.00 63.02 H new ATOM 0 HB3 ARG A 11 5.750 -17.162 -10.656 1.00 63.02 H new ATOM 0 HG2 ARG A 11 6.455 -17.481 -12.912 1.00 34.21 H new ATOM 0 HG3 ARG A 11 7.881 -16.486 -12.698 1.00 34.21 H new ATOM 0 HD2 ARG A 11 9.047 -18.349 -12.215 1.00 51.44 H new ATOM 0 HD3 ARG A 11 8.122 -18.495 -10.734 1.00 51.44 H new ATOM 0 HE ARG A 11 7.788 -20.066 -13.187 1.00 32.44 H new ATOM 0 HH11 ARG A 11 6.302 -18.947 -10.185 1.00 64.24 H new ATOM 0 HH12 ARG A 11 5.149 -20.284 -10.122 1.00 64.24 H new ATOM 0 HH21 ARG A 11 6.302 -21.780 -13.100 1.00 10.14 H new ATOM 0 HH22 ARG A 11 5.149 -21.881 -11.765 1.00 10.14 H new ATOM 148 N SER A 12 4.616 -14.180 -9.572 1.00 41.24 N ATOM 149 CA SER A 12 3.331 -13.928 -8.931 1.00 31.51 C ATOM 150 C SER A 12 2.353 -13.284 -9.908 1.00 53.14 C ATOM 151 O SER A 12 2.744 -12.492 -10.766 1.00 41.41 O ATOM 152 CB SER A 12 3.515 -13.028 -7.708 1.00 31.12 C ATOM 153 OG SER A 12 3.386 -11.661 -8.057 1.00 10.21 O ATOM 0 H SER A 12 5.410 -13.728 -9.118 1.00 41.24 H new ATOM 0 HA SER A 12 2.919 -14.885 -8.610 1.00 31.51 H new ATOM 0 HB2 SER A 12 2.775 -13.284 -6.949 1.00 31.12 H new ATOM 0 HB3 SER A 12 4.497 -13.203 -7.268 1.00 31.12 H new ATOM 0 HG SER A 12 2.579 -11.292 -7.641 1.00 10.21 H new ATOM 159 N THR A 13 1.076 -13.630 -9.773 1.00 1.31 N ATOM 160 CA THR A 13 0.041 -13.087 -10.643 1.00 72.24 C ATOM 161 C THR A 13 0.046 -11.563 -10.621 1.00 4.04 C ATOM 162 O THR A 13 0.019 -10.917 -11.668 1.00 33.13 O ATOM 163 CB THR A 13 -1.357 -13.590 -10.235 1.00 63.33 C ATOM 164 OG1 THR A 13 -1.280 -14.954 -9.806 1.00 74.33 O ATOM 165 CG2 THR A 13 -2.334 -13.472 -11.395 1.00 33.01 C ATOM 0 H THR A 13 0.734 -14.284 -9.069 1.00 1.31 H new ATOM 0 HA THR A 13 0.264 -13.433 -11.652 1.00 72.24 H new ATOM 0 HB THR A 13 -1.717 -12.971 -9.413 1.00 63.33 H new ATOM 0 HG1 THR A 13 -2.172 -15.266 -9.547 1.00 74.33 H new ATOM 0 HG21 THR A 13 -3.314 -13.833 -11.083 1.00 33.01 H new ATOM 0 HG22 THR A 13 -2.412 -12.429 -11.700 1.00 33.01 H new ATOM 0 HG23 THR A 13 -1.977 -14.070 -12.234 1.00 33.01 H new ATOM 173 N ALA A 14 0.083 -10.994 -9.420 1.00 40.11 N ATOM 174 CA ALA A 14 0.095 -9.545 -9.262 1.00 1.03 C ATOM 175 C ALA A 14 1.229 -8.915 -10.063 1.00 1.51 C ATOM 176 O ALA A 14 1.016 -7.966 -10.818 1.00 43.22 O ATOM 177 CB ALA A 14 0.217 -9.176 -7.791 1.00 10.14 C ATOM 0 H ALA A 14 0.105 -11.514 -8.543 1.00 40.11 H new ATOM 0 HA ALA A 14 -0.847 -9.154 -9.647 1.00 1.03 H new ATOM 0 HB1 ALA A 14 0.225 -8.091 -7.688 1.00 10.14 H new ATOM 0 HB2 ALA A 14 -0.630 -9.587 -7.241 1.00 10.14 H new ATOM 0 HB3 ALA A 14 1.144 -9.585 -7.389 1.00 10.14 H new ATOM 183 N PHE A 15 2.435 -9.447 -9.893 1.00 33.01 N ATOM 184 CA PHE A 15 3.603 -8.935 -10.599 1.00 42.03 C ATOM 185 C PHE A 15 3.343 -8.865 -12.101 1.00 63.12 C ATOM 186 O PHE A 15 3.270 -7.781 -12.679 1.00 52.25 O ATOM 187 CB PHE A 15 4.821 -9.819 -10.322 1.00 1.55 C ATOM 188 CG PHE A 15 6.124 -9.073 -10.360 1.00 42.43 C ATOM 189 CD1 PHE A 15 6.633 -8.602 -11.560 1.00 52.10 C ATOM 190 CD2 PHE A 15 6.841 -8.843 -9.197 1.00 13.52 C ATOM 191 CE1 PHE A 15 7.832 -7.915 -11.599 1.00 55.31 C ATOM 192 CE2 PHE A 15 8.040 -8.156 -9.230 1.00 14.33 C ATOM 193 CZ PHE A 15 8.536 -7.692 -10.432 1.00 62.34 C ATOM 0 H PHE A 15 2.629 -10.233 -9.272 1.00 33.01 H new ATOM 0 HA PHE A 15 3.804 -7.927 -10.235 1.00 42.03 H new ATOM 0 HB2 PHE A 15 4.707 -10.285 -9.343 1.00 1.55 H new ATOM 0 HB3 PHE A 15 4.851 -10.624 -11.057 1.00 1.55 H new ATOM 0 HD1 PHE A 15 6.086 -8.774 -12.476 1.00 52.10 H new ATOM 0 HD2 PHE A 15 6.459 -9.205 -8.254 1.00 13.52 H new ATOM 0 HE1 PHE A 15 8.218 -7.553 -12.541 1.00 55.31 H new ATOM 0 HE2 PHE A 15 8.589 -7.982 -8.316 1.00 14.33 H new ATOM 0 HZ PHE A 15 9.473 -7.156 -10.460 1.00 62.34 H new ATOM 203 N ARG A 16 3.206 -10.030 -12.727 1.00 12.34 N ATOM 204 CA ARG A 16 2.956 -10.102 -14.161 1.00 41.32 C ATOM 205 C ARG A 16 1.738 -9.267 -14.544 1.00 14.55 C ATOM 206 O ARG A 16 1.775 -8.502 -15.507 1.00 64.44 O ATOM 207 CB ARG A 16 2.747 -11.555 -14.592 1.00 2.32 C ATOM 208 CG ARG A 16 2.770 -11.753 -16.099 1.00 13.44 C ATOM 209 CD ARG A 16 2.656 -13.223 -16.469 1.00 63.11 C ATOM 210 NE ARG A 16 1.379 -13.530 -17.107 1.00 13.03 N ATOM 211 CZ ARG A 16 1.141 -14.655 -17.773 1.00 10.55 C ATOM 212 NH1 ARG A 16 2.089 -15.574 -17.887 1.00 22.21 N ATOM 213 NH2 ARG A 16 -0.048 -14.861 -18.325 1.00 65.22 N ATOM 0 H ARG A 16 3.264 -10.936 -12.263 1.00 12.34 H new ATOM 0 HA ARG A 16 3.828 -9.699 -14.676 1.00 41.32 H new ATOM 0 HB2 ARG A 16 3.523 -12.174 -14.141 1.00 2.32 H new ATOM 0 HB3 ARG A 16 1.792 -11.907 -14.202 1.00 2.32 H new ATOM 0 HG2 ARG A 16 1.949 -11.198 -16.553 1.00 13.44 H new ATOM 0 HG3 ARG A 16 3.695 -11.345 -16.507 1.00 13.44 H new ATOM 0 HD2 ARG A 16 3.471 -13.492 -17.141 1.00 63.11 H new ATOM 0 HD3 ARG A 16 2.769 -13.832 -15.572 1.00 63.11 H new ATOM 0 HE ARG A 16 0.628 -12.843 -17.038 1.00 13.03 H new ATOM 0 HH11 ARG A 16 3.004 -15.419 -17.463 1.00 22.21 H new ATOM 0 HH12 ARG A 16 1.904 -16.437 -18.399 1.00 22.21 H new ATOM 0 HH21 ARG A 16 -0.780 -14.156 -18.238 1.00 65.22 H new ATOM 0 HH22 ARG A 16 -0.230 -15.725 -18.836 1.00 65.22 H new ATOM 227 N GLN A 17 0.659 -9.419 -13.782 1.00 23.24 N ATOM 228 CA GLN A 17 -0.570 -8.680 -14.042 1.00 13.10 C ATOM 229 C GLN A 17 -0.291 -7.186 -14.166 1.00 51.32 C ATOM 230 O GLN A 17 -0.568 -6.575 -15.199 1.00 64.20 O ATOM 231 CB GLN A 17 -1.586 -8.930 -12.926 1.00 55.23 C ATOM 232 CG GLN A 17 -2.939 -8.284 -13.179 1.00 40.44 C ATOM 233 CD GLN A 17 -2.938 -6.795 -12.891 1.00 21.45 C ATOM 234 OE1 GLN A 17 -2.424 -6.351 -11.864 1.00 1.04 O ATOM 235 NE2 GLN A 17 -3.515 -6.016 -13.797 1.00 50.33 N ATOM 0 H GLN A 17 0.612 -10.047 -12.980 1.00 23.24 H new ATOM 0 HA GLN A 17 -0.984 -9.033 -14.986 1.00 13.10 H new ATOM 0 HB2 GLN A 17 -1.723 -10.005 -12.805 1.00 55.23 H new ATOM 0 HB3 GLN A 17 -1.182 -8.552 -11.987 1.00 55.23 H new ATOM 0 HG2 GLN A 17 -3.228 -8.449 -14.217 1.00 40.44 H new ATOM 0 HG3 GLN A 17 -3.691 -8.770 -12.558 1.00 40.44 H new ATOM 0 HE21 GLN A 17 -3.929 -6.427 -14.634 1.00 50.33 H new ATOM 0 HE22 GLN A 17 -3.545 -5.006 -13.657 1.00 50.33 H new ATOM 244 N LYS A 18 0.258 -6.601 -13.107 1.00 23.41 N ATOM 245 CA LYS A 18 0.576 -5.178 -13.096 1.00 63.54 C ATOM 246 C LYS A 18 1.398 -4.796 -14.323 1.00 41.41 C ATOM 247 O LYS A 18 1.086 -3.824 -15.014 1.00 20.44 O ATOM 248 CB LYS A 18 1.343 -4.816 -11.822 1.00 53.44 C ATOM 249 CG LYS A 18 0.466 -4.222 -10.734 1.00 0.54 C ATOM 250 CD LYS A 18 1.195 -4.160 -9.402 1.00 23.41 C ATOM 251 CE LYS A 18 1.884 -2.819 -9.205 1.00 3.31 C ATOM 252 NZ LYS A 18 1.201 -1.991 -8.173 1.00 0.41 N ATOM 0 H LYS A 18 0.492 -7.091 -12.244 1.00 23.41 H new ATOM 0 HA LYS A 18 -0.361 -4.621 -13.119 1.00 63.54 H new ATOM 0 HB2 LYS A 18 1.832 -5.710 -11.435 1.00 53.44 H new ATOM 0 HB3 LYS A 18 2.130 -4.105 -12.071 1.00 53.44 H new ATOM 0 HG2 LYS A 18 0.152 -3.220 -11.025 1.00 0.54 H new ATOM 0 HG3 LYS A 18 -0.439 -4.821 -10.627 1.00 0.54 H new ATOM 0 HD2 LYS A 18 0.487 -4.329 -8.591 1.00 23.41 H new ATOM 0 HD3 LYS A 18 1.933 -4.960 -9.353 1.00 23.41 H new ATOM 0 HE2 LYS A 18 2.921 -2.983 -8.911 1.00 3.31 H new ATOM 0 HE3 LYS A 18 1.903 -2.278 -10.151 1.00 3.31 H new ATOM 0 HZ1 LYS A 18 1.701 -1.085 -8.068 1.00 0.41 H new ATOM 0 HZ2 LYS A 18 0.219 -1.813 -8.465 1.00 0.41 H new ATOM 0 HZ3 LYS A 18 1.206 -2.496 -7.264 1.00 0.41 H new ATOM 266 N LEU A 19 2.448 -5.565 -14.590 1.00 11.43 N ATOM 267 CA LEU A 19 3.314 -5.307 -15.735 1.00 0.31 C ATOM 268 C LEU A 19 2.518 -5.330 -17.036 1.00 21.31 C ATOM 269 O LEU A 19 2.675 -4.456 -17.888 1.00 42.11 O ATOM 270 CB LEU A 19 4.438 -6.343 -15.793 1.00 2.54 C ATOM 271 CG LEU A 19 5.660 -6.057 -14.918 1.00 53.34 C ATOM 272 CD1 LEU A 19 6.746 -5.366 -15.728 1.00 70.35 C ATOM 273 CD2 LEU A 19 5.269 -5.210 -13.716 1.00 52.11 C ATOM 0 H LEU A 19 2.720 -6.372 -14.029 1.00 11.43 H new ATOM 0 HA LEU A 19 3.749 -4.315 -15.614 1.00 0.31 H new ATOM 0 HB2 LEU A 19 4.028 -7.311 -15.505 1.00 2.54 H new ATOM 0 HB3 LEU A 19 4.770 -6.433 -16.827 1.00 2.54 H new ATOM 0 HG LEU A 19 6.054 -7.007 -14.556 1.00 53.34 H new ATOM 0 HD11 LEU A 19 7.607 -5.170 -15.089 1.00 70.35 H new ATOM 0 HD12 LEU A 19 7.046 -6.008 -16.556 1.00 70.35 H new ATOM 0 HD13 LEU A 19 6.364 -4.424 -16.120 1.00 70.35 H new ATOM 0 HD21 LEU A 19 6.151 -5.017 -13.105 1.00 52.11 H new ATOM 0 HD22 LEU A 19 4.850 -4.264 -14.058 1.00 52.11 H new ATOM 0 HD23 LEU A 19 4.526 -5.742 -13.122 1.00 52.11 H new ATOM 285 N VAL A 20 1.661 -6.336 -17.181 1.00 62.12 N ATOM 286 CA VAL A 20 0.838 -6.472 -18.377 1.00 34.14 C ATOM 287 C VAL A 20 0.090 -5.178 -18.679 1.00 20.30 C ATOM 288 O VAL A 20 0.041 -4.731 -19.825 1.00 4.44 O ATOM 289 CB VAL A 20 -0.181 -7.618 -18.229 1.00 61.11 C ATOM 290 CG1 VAL A 20 -1.333 -7.438 -19.206 1.00 1.11 C ATOM 291 CG2 VAL A 20 0.498 -8.964 -18.435 1.00 42.43 C ATOM 0 H VAL A 20 1.519 -7.068 -16.485 1.00 62.12 H new ATOM 0 HA VAL A 20 1.513 -6.700 -19.202 1.00 34.14 H new ATOM 0 HB VAL A 20 -0.587 -7.592 -17.218 1.00 61.11 H new ATOM 0 HG11 VAL A 20 -2.043 -8.257 -19.087 1.00 1.11 H new ATOM 0 HG12 VAL A 20 -1.835 -6.491 -19.006 1.00 1.11 H new ATOM 0 HG13 VAL A 20 -0.948 -7.437 -20.226 1.00 1.11 H new ATOM 0 HG21 VAL A 20 -0.236 -9.762 -18.327 1.00 42.43 H new ATOM 0 HG22 VAL A 20 0.932 -9.003 -19.434 1.00 42.43 H new ATOM 0 HG23 VAL A 20 1.285 -9.092 -17.692 1.00 42.43 H new ATOM 301 N SER A 21 -0.491 -4.581 -17.643 1.00 74.34 N ATOM 302 CA SER A 21 -1.240 -3.340 -17.798 1.00 50.44 C ATOM 303 C SER A 21 -0.338 -2.222 -18.313 1.00 2.15 C ATOM 304 O SER A 21 -0.696 -1.500 -19.243 1.00 24.30 O ATOM 305 CB SER A 21 -1.870 -2.930 -16.466 1.00 12.40 C ATOM 306 OG SER A 21 -3.132 -3.550 -16.286 1.00 43.53 O ATOM 0 H SER A 21 -0.457 -4.937 -16.688 1.00 74.34 H new ATOM 0 HA SER A 21 -2.031 -3.511 -18.528 1.00 50.44 H new ATOM 0 HB2 SER A 21 -1.206 -3.205 -15.646 1.00 12.40 H new ATOM 0 HB3 SER A 21 -1.986 -1.847 -16.433 1.00 12.40 H new ATOM 0 HG SER A 21 -3.513 -3.273 -15.427 1.00 43.53 H new ATOM 312 N GLN A 22 0.833 -2.086 -17.699 1.00 44.01 N ATOM 313 CA GLN A 22 1.787 -1.056 -18.094 1.00 0.01 C ATOM 314 C GLN A 22 2.094 -1.141 -19.585 1.00 54.14 C ATOM 315 O GLN A 22 2.037 -0.138 -20.298 1.00 63.43 O ATOM 316 CB GLN A 22 3.079 -1.192 -17.287 1.00 4.51 C ATOM 317 CG GLN A 22 2.862 -1.171 -15.782 1.00 44.55 C ATOM 318 CD GLN A 22 1.773 -0.203 -15.363 1.00 72.45 C ATOM 319 OE1 GLN A 22 0.655 -0.610 -15.046 1.00 13.35 O ATOM 320 NE2 GLN A 22 2.094 1.085 -15.361 1.00 14.24 N ATOM 0 H GLN A 22 1.144 -2.675 -16.927 1.00 44.01 H new ATOM 0 HA GLN A 22 1.339 -0.084 -17.889 1.00 0.01 H new ATOM 0 HB2 GLN A 22 3.572 -2.124 -17.562 1.00 4.51 H new ATOM 0 HB3 GLN A 22 3.755 -0.381 -17.560 1.00 4.51 H new ATOM 0 HG2 GLN A 22 2.602 -2.174 -15.442 1.00 44.55 H new ATOM 0 HG3 GLN A 22 3.795 -0.899 -15.288 1.00 44.55 H new ATOM 0 HE21 GLN A 22 3.033 1.377 -15.631 1.00 14.24 H new ATOM 0 HE22 GLN A 22 1.401 1.783 -15.089 1.00 14.24 H new ATOM 329 N ILE A 23 2.418 -2.343 -20.050 1.00 40.42 N ATOM 330 CA ILE A 23 2.733 -2.558 -21.457 1.00 53.41 C ATOM 331 C ILE A 23 1.549 -2.194 -22.347 1.00 32.40 C ATOM 332 O ILE A 23 1.725 -1.698 -23.459 1.00 25.10 O ATOM 333 CB ILE A 23 3.134 -4.020 -21.727 1.00 50.32 C ATOM 334 CG1 ILE A 23 4.396 -4.379 -20.940 1.00 42.25 C ATOM 335 CG2 ILE A 23 3.350 -4.243 -23.216 1.00 60.25 C ATOM 336 CD1 ILE A 23 4.231 -5.594 -20.055 1.00 11.23 C ATOM 0 H ILE A 23 2.469 -3.183 -19.473 1.00 40.42 H new ATOM 0 HA ILE A 23 3.576 -1.909 -21.695 1.00 53.41 H new ATOM 0 HB ILE A 23 2.325 -4.671 -21.396 1.00 50.32 H new ATOM 0 HG12 ILE A 23 5.212 -4.558 -21.640 1.00 42.25 H new ATOM 0 HG13 ILE A 23 4.685 -3.527 -20.324 1.00 42.25 H new ATOM 0 HG21 ILE A 23 3.633 -5.281 -23.391 1.00 60.25 H new ATOM 0 HG22 ILE A 23 2.428 -4.022 -23.754 1.00 60.25 H new ATOM 0 HG23 ILE A 23 4.144 -3.586 -23.571 1.00 60.25 H new ATOM 0 HD11 ILE A 23 5.165 -5.790 -19.528 1.00 11.23 H new ATOM 0 HD12 ILE A 23 3.437 -5.412 -19.331 1.00 11.23 H new ATOM 0 HD13 ILE A 23 3.972 -6.458 -20.667 1.00 11.23 H new ATOM 348 N GLU A 24 0.342 -2.444 -21.848 1.00 41.22 N ATOM 349 CA GLU A 24 -0.871 -2.142 -22.598 1.00 52.34 C ATOM 350 C GLU A 24 -1.108 -0.636 -22.666 1.00 52.23 C ATOM 351 O GLU A 24 -1.682 -0.130 -23.631 1.00 13.23 O ATOM 352 CB GLU A 24 -2.078 -2.831 -21.958 1.00 52.42 C ATOM 353 CG GLU A 24 -3.067 -3.389 -22.968 1.00 2.11 C ATOM 354 CD GLU A 24 -4.385 -2.639 -22.969 1.00 71.45 C ATOM 355 OE1 GLU A 24 -4.396 -1.461 -23.382 1.00 51.33 O ATOM 356 OE2 GLU A 24 -5.405 -3.231 -22.558 1.00 41.20 O ATOM 0 H GLU A 24 0.179 -2.854 -20.929 1.00 41.22 H new ATOM 0 HA GLU A 24 -0.743 -2.518 -23.613 1.00 52.34 H new ATOM 0 HB2 GLU A 24 -1.727 -3.642 -21.320 1.00 52.42 H new ATOM 0 HB3 GLU A 24 -2.593 -2.119 -21.313 1.00 52.42 H new ATOM 0 HG2 GLU A 24 -2.627 -3.345 -23.964 1.00 2.11 H new ATOM 0 HG3 GLU A 24 -3.252 -4.440 -22.748 1.00 2.11 H new ATOM 363 N ASP A 25 -0.662 0.074 -21.636 1.00 15.12 N ATOM 364 CA ASP A 25 -0.825 1.522 -21.578 1.00 1.25 C ATOM 365 C ASP A 25 0.120 2.215 -22.555 1.00 75.31 C ATOM 366 O ASP A 25 -0.299 3.064 -23.341 1.00 63.03 O ATOM 367 CB ASP A 25 -0.570 2.029 -20.157 1.00 63.31 C ATOM 368 CG ASP A 25 -1.005 3.469 -19.969 1.00 31.41 C ATOM 369 OD1 ASP A 25 -2.204 3.757 -20.165 1.00 75.32 O ATOM 370 OD2 ASP A 25 -0.147 4.307 -19.624 1.00 44.34 O ATOM 0 H ASP A 25 -0.185 -0.329 -20.830 1.00 15.12 H new ATOM 0 HA ASP A 25 -1.850 1.759 -21.862 1.00 1.25 H new ATOM 0 HB2 ASP A 25 -1.103 1.396 -19.447 1.00 63.31 H new ATOM 0 HB3 ASP A 25 0.492 1.941 -19.928 1.00 63.31 H new ATOM 375 N ALA A 26 1.395 1.847 -22.499 1.00 23.51 N ATOM 376 CA ALA A 26 2.399 2.431 -23.380 1.00 13.54 C ATOM 377 C ALA A 26 2.054 2.184 -24.844 1.00 44.45 C ATOM 378 O ALA A 26 2.128 3.093 -25.671 1.00 12.53 O ATOM 379 CB ALA A 26 3.776 1.870 -23.057 1.00 54.21 C ATOM 0 H ALA A 26 1.758 1.147 -21.852 1.00 23.51 H new ATOM 0 HA ALA A 26 2.411 3.508 -23.214 1.00 13.54 H new ATOM 0 HB1 ALA A 26 4.516 2.315 -23.723 1.00 54.21 H new ATOM 0 HB2 ALA A 26 4.031 2.104 -22.023 1.00 54.21 H new ATOM 0 HB3 ALA A 26 3.769 0.789 -23.193 1.00 54.21 H new ATOM 385 N MET A 27 1.679 0.949 -25.159 1.00 65.12 N ATOM 386 CA MET A 27 1.323 0.583 -26.525 1.00 45.23 C ATOM 387 C MET A 27 0.123 1.391 -27.009 1.00 22.20 C ATOM 388 O MET A 27 0.119 1.903 -28.128 1.00 54.24 O ATOM 389 CB MET A 27 1.015 -0.913 -26.612 1.00 13.34 C ATOM 390 CG MET A 27 1.974 -1.680 -27.507 1.00 33.52 C ATOM 391 SD MET A 27 1.127 -2.838 -28.600 1.00 45.22 S ATOM 392 CE MET A 27 0.171 -1.710 -29.611 1.00 61.45 C ATOM 0 H MET A 27 1.614 0.184 -24.487 1.00 65.12 H new ATOM 0 HA MET A 27 2.174 0.809 -27.168 1.00 45.23 H new ATOM 0 HB2 MET A 27 1.046 -1.341 -25.610 1.00 13.34 H new ATOM 0 HB3 MET A 27 -0.001 -1.045 -26.984 1.00 13.34 H new ATOM 0 HG2 MET A 27 2.549 -0.974 -28.107 1.00 33.52 H new ATOM 0 HG3 MET A 27 2.686 -2.225 -26.887 1.00 33.52 H new ATOM 0 HE1 MET A 27 -0.882 -1.987 -29.569 1.00 61.45 H new ATOM 0 HE2 MET A 27 0.294 -0.693 -29.237 1.00 61.45 H new ATOM 0 HE3 MET A 27 0.519 -1.762 -30.643 1.00 61.45 H new ATOM 402 N ARG A 28 -0.892 1.500 -26.159 1.00 34.12 N ATOM 403 CA ARG A 28 -2.099 2.244 -26.501 1.00 24.11 C ATOM 404 C ARG A 28 -1.752 3.648 -26.988 1.00 64.20 C ATOM 405 O ARG A 28 -2.155 4.057 -28.077 1.00 34.41 O ATOM 406 CB ARG A 28 -3.032 2.328 -25.292 1.00 3.34 C ATOM 407 CG ARG A 28 -4.186 3.300 -25.479 1.00 64.32 C ATOM 408 CD ARG A 28 -5.519 2.653 -25.138 1.00 51.21 C ATOM 409 NE ARG A 28 -6.611 3.623 -25.130 1.00 31.25 N ATOM 410 CZ ARG A 28 -7.873 3.306 -24.863 1.00 32.14 C ATOM 411 NH1 ARG A 28 -8.200 2.052 -24.583 1.00 75.24 N ATOM 412 NH2 ARG A 28 -8.811 4.245 -24.874 1.00 61.32 N ATOM 0 H ARG A 28 -0.903 1.083 -25.228 1.00 34.12 H new ATOM 0 HA ARG A 28 -2.607 1.713 -27.307 1.00 24.11 H new ATOM 0 HB2 ARG A 28 -3.434 1.336 -25.084 1.00 3.34 H new ATOM 0 HB3 ARG A 28 -2.454 2.627 -24.418 1.00 3.34 H new ATOM 0 HG2 ARG A 28 -4.033 4.175 -24.847 1.00 64.32 H new ATOM 0 HG3 ARG A 28 -4.204 3.651 -26.511 1.00 64.32 H new ATOM 0 HD2 ARG A 28 -5.737 1.868 -25.862 1.00 51.21 H new ATOM 0 HD3 ARG A 28 -5.451 2.175 -24.161 1.00 51.21 H new ATOM 0 HE ARG A 28 -6.393 4.597 -25.341 1.00 31.25 H new ATOM 0 HH11 ARG A 28 -7.482 1.328 -24.572 1.00 75.24 H new ATOM 0 HH12 ARG A 28 -9.170 1.811 -24.378 1.00 75.24 H new ATOM 0 HH21 ARG A 28 -8.563 5.211 -25.088 1.00 61.32 H new ATOM 0 HH22 ARG A 28 -9.780 4.001 -24.669 1.00 61.32 H new ATOM 426 N LYS A 29 -1.001 4.382 -26.174 1.00 11.11 N ATOM 427 CA LYS A 29 -0.598 5.740 -26.521 1.00 33.14 C ATOM 428 C LYS A 29 0.445 5.731 -27.634 1.00 35.33 C ATOM 429 O LYS A 29 0.572 6.696 -28.386 1.00 14.31 O ATOM 430 CB LYS A 29 -0.040 6.458 -25.290 1.00 42.10 C ATOM 431 CG LYS A 29 -0.791 7.730 -24.935 1.00 24.20 C ATOM 432 CD LYS A 29 -0.092 8.499 -23.826 1.00 72.40 C ATOM 433 CE LYS A 29 -0.828 8.359 -22.502 1.00 40.11 C ATOM 434 NZ LYS A 29 -0.277 9.272 -21.463 1.00 12.05 N ATOM 0 H LYS A 29 -0.659 4.059 -25.269 1.00 11.11 H new ATOM 0 HA LYS A 29 -1.479 6.274 -26.878 1.00 33.14 H new ATOM 0 HB2 LYS A 29 -0.071 5.778 -24.438 1.00 42.10 H new ATOM 0 HB3 LYS A 29 1.008 6.702 -25.466 1.00 42.10 H new ATOM 0 HG2 LYS A 29 -0.877 8.362 -25.819 1.00 24.20 H new ATOM 0 HG3 LYS A 29 -1.805 7.480 -24.622 1.00 24.20 H new ATOM 0 HD2 LYS A 29 0.929 8.134 -23.716 1.00 72.40 H new ATOM 0 HD3 LYS A 29 -0.026 9.553 -24.098 1.00 72.40 H new ATOM 0 HE2 LYS A 29 -1.886 8.574 -22.650 1.00 40.11 H new ATOM 0 HE3 LYS A 29 -0.758 7.328 -22.154 1.00 40.11 H new ATOM 0 HZ1 LYS A 29 -0.805 9.147 -20.576 1.00 12.05 H new ATOM 0 HZ2 LYS A 29 0.726 9.051 -21.303 1.00 12.05 H new ATOM 0 HZ3 LYS A 29 -0.367 10.257 -21.783 1.00 12.05 H new ATOM 448 N ALA A 30 1.187 4.633 -27.733 1.00 43.24 N ATOM 449 CA ALA A 30 2.216 4.497 -28.757 1.00 2.41 C ATOM 450 C ALA A 30 1.597 4.239 -30.126 1.00 63.24 C ATOM 451 O ALA A 30 2.235 4.452 -31.157 1.00 13.42 O ATOM 452 CB ALA A 30 3.180 3.378 -28.391 1.00 40.43 C ATOM 0 H ALA A 30 1.095 3.825 -27.117 1.00 43.24 H new ATOM 0 HA ALA A 30 2.769 5.435 -28.809 1.00 2.41 H new ATOM 0 HB1 ALA A 30 3.943 3.288 -29.164 1.00 40.43 H new ATOM 0 HB2 ALA A 30 3.655 3.605 -27.437 1.00 40.43 H new ATOM 0 HB3 ALA A 30 2.633 2.439 -28.309 1.00 40.43 H new ATOM 458 N GLY A 31 0.351 3.776 -30.130 1.00 14.52 N ATOM 459 CA GLY A 31 -0.333 3.495 -31.379 1.00 1.42 C ATOM 460 C GLY A 31 0.154 2.217 -32.031 1.00 43.05 C ATOM 461 O GLY A 31 -0.580 1.232 -32.108 1.00 64.42 O ATOM 0 H GLY A 31 -0.197 3.590 -29.290 1.00 14.52 H new ATOM 0 HA2 GLY A 31 -1.405 3.419 -31.194 1.00 1.42 H new ATOM 0 HA3 GLY A 31 -0.186 4.329 -32.066 1.00 1.42 H new ATOM 465 N VAL A 32 1.396 2.232 -32.505 1.00 43.31 N ATOM 466 CA VAL A 32 1.981 1.066 -33.155 1.00 71.44 C ATOM 467 C VAL A 32 1.044 0.501 -34.217 1.00 34.11 C ATOM 468 O VAL A 32 0.052 1.131 -34.582 1.00 73.03 O ATOM 469 CB VAL A 32 2.309 -0.040 -32.135 1.00 33.42 C ATOM 470 CG1 VAL A 32 3.674 -0.645 -32.423 1.00 23.40 C ATOM 471 CG2 VAL A 32 2.248 0.508 -30.717 1.00 51.23 C ATOM 0 H VAL A 32 2.017 3.040 -32.451 1.00 43.31 H new ATOM 0 HA VAL A 32 2.905 1.398 -33.629 1.00 71.44 H new ATOM 0 HB VAL A 32 1.562 -0.828 -32.228 1.00 33.42 H new ATOM 0 HG11 VAL A 32 3.888 -1.425 -31.692 1.00 23.40 H new ATOM 0 HG12 VAL A 32 3.677 -1.076 -33.424 1.00 23.40 H new ATOM 0 HG13 VAL A 32 4.437 0.131 -32.360 1.00 23.40 H new ATOM 0 HG21 VAL A 32 2.482 -0.287 -30.009 1.00 51.23 H new ATOM 0 HG22 VAL A 32 2.971 1.316 -30.608 1.00 51.23 H new ATOM 0 HG23 VAL A 32 1.246 0.888 -30.517 1.00 51.23 H new ATOM 481 N ALA A 33 1.365 -0.692 -34.708 1.00 52.50 N ATOM 482 CA ALA A 33 0.550 -1.343 -35.726 1.00 61.10 C ATOM 483 C ALA A 33 0.825 -2.842 -35.772 1.00 74.33 C ATOM 484 O ALA A 33 -0.094 -3.648 -35.925 1.00 15.41 O ATOM 485 CB ALA A 33 0.806 -0.715 -37.088 1.00 61.42 C ATOM 0 H ALA A 33 2.183 -1.227 -34.417 1.00 52.50 H new ATOM 0 HA ALA A 33 -0.498 -1.200 -35.464 1.00 61.10 H new ATOM 0 HB1 ALA A 33 0.191 -1.211 -37.839 1.00 61.42 H new ATOM 0 HB2 ALA A 33 0.553 0.345 -37.054 1.00 61.42 H new ATOM 0 HB3 ALA A 33 1.858 -0.828 -37.349 1.00 61.42 H new ATOM 491 N HIS A 34 2.095 -3.211 -35.640 1.00 71.12 N ATOM 492 CA HIS A 34 2.490 -4.615 -35.667 1.00 42.21 C ATOM 493 C HIS A 34 2.172 -5.295 -34.339 1.00 13.52 C ATOM 494 O HIS A 34 1.459 -4.740 -33.502 1.00 71.31 O ATOM 495 CB HIS A 34 3.983 -4.740 -35.972 1.00 61.34 C ATOM 496 CG HIS A 34 4.424 -3.926 -37.150 1.00 22.24 C ATOM 497 ND1 HIS A 34 3.863 -4.050 -38.403 1.00 63.22 N ATOM 498 CD2 HIS A 34 5.377 -2.971 -37.258 1.00 63.24 C ATOM 499 CE1 HIS A 34 4.453 -3.208 -39.232 1.00 64.15 C ATOM 500 NE2 HIS A 34 5.376 -2.541 -38.562 1.00 53.05 N ATOM 0 H HIS A 34 2.868 -2.558 -35.513 1.00 71.12 H new ATOM 0 HA HIS A 34 1.922 -5.111 -36.454 1.00 42.21 H new ATOM 0 HB2 HIS A 34 4.552 -4.432 -35.095 1.00 61.34 H new ATOM 0 HB3 HIS A 34 4.222 -5.788 -36.155 1.00 61.34 H new ATOM 0 HD2 HIS A 34 6.019 -2.614 -36.466 1.00 63.24 H new ATOM 0 HE1 HIS A 34 4.221 -3.085 -40.280 1.00 64.15 H new ATOM 0 HE2 HIS A 34 5.988 -1.823 -38.950 1.00 53.05 H new ATOM 508 N SER A 35 2.704 -6.498 -34.153 1.00 30.22 N ATOM 509 CA SER A 35 2.473 -7.255 -32.928 1.00 74.43 C ATOM 510 C SER A 35 0.999 -7.626 -32.789 1.00 1.31 C ATOM 511 O SER A 35 0.146 -7.109 -33.510 1.00 74.14 O ATOM 512 CB SER A 35 2.924 -6.447 -31.711 1.00 25.14 C ATOM 513 OG SER A 35 4.121 -5.739 -31.984 1.00 41.00 O ATOM 0 H SER A 35 3.298 -6.970 -34.835 1.00 30.22 H new ATOM 0 HA SER A 35 3.058 -8.173 -32.982 1.00 74.43 H new ATOM 0 HB2 SER A 35 2.140 -5.746 -31.425 1.00 25.14 H new ATOM 0 HB3 SER A 35 3.078 -7.115 -30.864 1.00 25.14 H new ATOM 0 HG SER A 35 4.002 -4.794 -31.754 1.00 41.00 H new ATOM 519 N LYS A 36 0.707 -8.525 -31.855 1.00 4.30 N ATOM 520 CA LYS A 36 -0.662 -8.965 -31.618 1.00 31.34 C ATOM 521 C LYS A 36 -1.354 -8.065 -30.599 1.00 75.13 C ATOM 522 O LYS A 36 -2.276 -7.323 -30.938 1.00 51.11 O ATOM 523 CB LYS A 36 -0.675 -10.414 -31.126 1.00 35.35 C ATOM 524 CG LYS A 36 -1.888 -11.203 -31.590 1.00 24.13 C ATOM 525 CD LYS A 36 -3.100 -10.928 -30.716 1.00 50.11 C ATOM 526 CE LYS A 36 -4.075 -12.095 -30.732 1.00 20.20 C ATOM 527 NZ LYS A 36 -5.396 -11.722 -30.155 1.00 72.31 N ATOM 0 H LYS A 36 1.401 -8.963 -31.250 1.00 4.30 H new ATOM 0 HA LYS A 36 -1.206 -8.902 -32.560 1.00 31.34 H new ATOM 0 HB2 LYS A 36 0.229 -10.915 -31.473 1.00 35.35 H new ATOM 0 HB3 LYS A 36 -0.644 -10.419 -30.036 1.00 35.35 H new ATOM 0 HG2 LYS A 36 -2.118 -10.944 -32.624 1.00 24.13 H new ATOM 0 HG3 LYS A 36 -1.659 -12.269 -31.571 1.00 24.13 H new ATOM 0 HD2 LYS A 36 -2.776 -10.737 -29.693 1.00 50.11 H new ATOM 0 HD3 LYS A 36 -3.604 -10.027 -31.064 1.00 50.11 H new ATOM 0 HE2 LYS A 36 -4.211 -12.441 -31.757 1.00 20.20 H new ATOM 0 HE3 LYS A 36 -3.654 -12.927 -30.168 1.00 20.20 H new ATOM 0 HZ1 LYS A 36 -6.032 -12.544 -30.184 1.00 72.31 H new ATOM 0 HZ2 LYS A 36 -5.270 -11.416 -29.169 1.00 72.31 H new ATOM 0 HZ3 LYS A 36 -5.810 -10.945 -30.708 1.00 72.31 H new ATOM 541 N SER A 37 -0.903 -8.135 -29.351 1.00 33.11 N ATOM 542 CA SER A 37 -1.481 -7.328 -28.283 1.00 13.11 C ATOM 543 C SER A 37 -0.578 -7.327 -27.053 1.00 41.54 C ATOM 544 O SER A 37 0.344 -8.135 -26.946 1.00 44.32 O ATOM 545 CB SER A 37 -2.868 -7.855 -27.910 1.00 53.11 C ATOM 546 OG SER A 37 -3.403 -7.147 -26.805 1.00 24.33 O ATOM 0 H SER A 37 -0.139 -8.742 -29.054 1.00 33.11 H new ATOM 0 HA SER A 37 -1.574 -6.304 -28.645 1.00 13.11 H new ATOM 0 HB2 SER A 37 -3.538 -7.761 -28.765 1.00 53.11 H new ATOM 0 HB3 SER A 37 -2.805 -8.916 -27.670 1.00 53.11 H new ATOM 0 HG SER A 37 -4.290 -7.502 -26.588 1.00 24.33 H new ATOM 552 N SER A 38 -0.850 -6.412 -26.128 1.00 35.54 N ATOM 553 CA SER A 38 -0.061 -6.302 -24.907 1.00 21.03 C ATOM 554 C SER A 38 0.053 -7.654 -24.209 1.00 72.10 C ATOM 555 O SER A 38 1.151 -8.114 -23.896 1.00 31.42 O ATOM 556 CB SER A 38 -0.688 -5.278 -23.959 1.00 53.33 C ATOM 557 OG SER A 38 0.088 -5.129 -22.783 1.00 52.50 O ATOM 0 H SER A 38 -1.611 -5.736 -26.201 1.00 35.54 H new ATOM 0 HA SER A 38 0.940 -5.968 -25.181 1.00 21.03 H new ATOM 0 HB2 SER A 38 -0.776 -4.316 -24.464 1.00 53.33 H new ATOM 0 HB3 SER A 38 -1.697 -5.593 -23.695 1.00 53.33 H new ATOM 0 HG SER A 38 -0.388 -5.526 -22.024 1.00 52.50 H new ATOM 563 N LYS A 39 -1.091 -8.286 -23.968 1.00 62.42 N ATOM 564 CA LYS A 39 -1.123 -9.586 -23.309 1.00 23.51 C ATOM 565 C LYS A 39 -0.171 -10.565 -23.990 1.00 31.24 C ATOM 566 O LYS A 39 0.612 -11.246 -23.327 1.00 45.24 O ATOM 567 CB LYS A 39 -2.545 -10.151 -23.318 1.00 60.34 C ATOM 568 CG LYS A 39 -3.257 -10.028 -21.983 1.00 32.35 C ATOM 569 CD LYS A 39 -3.745 -11.378 -21.484 1.00 74.35 C ATOM 570 CE LYS A 39 -2.584 -12.305 -21.158 1.00 74.24 C ATOM 571 NZ LYS A 39 -2.659 -13.579 -21.926 1.00 33.22 N ATOM 0 H LYS A 39 -2.009 -7.918 -24.220 1.00 62.42 H new ATOM 0 HA LYS A 39 -0.799 -9.450 -22.277 1.00 23.51 H new ATOM 0 HB2 LYS A 39 -3.128 -9.633 -24.080 1.00 60.34 H new ATOM 0 HB3 LYS A 39 -2.507 -11.202 -23.605 1.00 60.34 H new ATOM 0 HG2 LYS A 39 -2.581 -9.590 -21.248 1.00 32.35 H new ATOM 0 HG3 LYS A 39 -4.103 -9.348 -22.082 1.00 32.35 H new ATOM 0 HD2 LYS A 39 -4.360 -11.238 -20.595 1.00 74.35 H new ATOM 0 HD3 LYS A 39 -4.379 -11.839 -22.241 1.00 74.35 H new ATOM 0 HE2 LYS A 39 -1.643 -11.801 -21.381 1.00 74.24 H new ATOM 0 HE3 LYS A 39 -2.583 -12.524 -20.090 1.00 74.24 H new ATOM 0 HZ1 LYS A 39 -1.850 -14.183 -21.676 1.00 33.22 H new ATOM 0 HZ2 LYS A 39 -3.545 -14.072 -21.694 1.00 33.22 H new ATOM 0 HZ3 LYS A 39 -2.634 -13.372 -22.945 1.00 33.22 H new ATOM 585 N ASP A 40 -0.244 -10.629 -25.314 1.00 60.44 N ATOM 586 CA ASP A 40 0.613 -11.523 -26.085 1.00 20.12 C ATOM 587 C ASP A 40 2.072 -11.085 -25.999 1.00 53.12 C ATOM 588 O ASP A 40 2.980 -11.915 -25.991 1.00 31.31 O ATOM 589 CB ASP A 40 0.164 -11.561 -27.546 1.00 51.24 C ATOM 590 CG ASP A 40 -0.548 -12.852 -27.900 1.00 50.32 C ATOM 591 OD1 ASP A 40 -1.615 -13.122 -27.310 1.00 72.12 O ATOM 592 OD2 ASP A 40 -0.038 -13.591 -28.768 1.00 35.13 O ATOM 0 H ASP A 40 -0.888 -10.073 -25.877 1.00 60.44 H new ATOM 0 HA ASP A 40 0.527 -12.524 -25.661 1.00 20.12 H new ATOM 0 HB2 ASP A 40 -0.499 -10.718 -27.741 1.00 51.24 H new ATOM 0 HB3 ASP A 40 1.033 -11.439 -28.193 1.00 51.24 H new ATOM 597 N MET A 41 2.288 -9.775 -25.937 1.00 21.13 N ATOM 598 CA MET A 41 3.637 -9.227 -25.852 1.00 12.03 C ATOM 599 C MET A 41 4.290 -9.594 -24.523 1.00 11.32 C ATOM 600 O MET A 41 5.443 -10.022 -24.486 1.00 33.33 O ATOM 601 CB MET A 41 3.603 -7.706 -26.014 1.00 64.14 C ATOM 602 CG MET A 41 3.946 -7.238 -27.419 1.00 41.42 C ATOM 603 SD MET A 41 2.735 -6.075 -28.079 1.00 24.45 S ATOM 604 CE MET A 41 3.797 -4.968 -29.002 1.00 44.23 C ATOM 0 H MET A 41 1.547 -9.074 -25.944 1.00 21.13 H new ATOM 0 HA MET A 41 4.229 -9.658 -26.659 1.00 12.03 H new ATOM 0 HB2 MET A 41 2.610 -7.343 -25.751 1.00 64.14 H new ATOM 0 HB3 MET A 41 4.303 -7.258 -25.309 1.00 64.14 H new ATOM 0 HG2 MET A 41 4.929 -6.767 -27.411 1.00 41.42 H new ATOM 0 HG3 MET A 41 4.012 -8.102 -28.080 1.00 41.42 H new ATOM 0 HE1 MET A 41 3.211 -4.452 -29.763 1.00 44.23 H new ATOM 0 HE2 MET A 41 4.237 -4.236 -28.324 1.00 44.23 H new ATOM 0 HE3 MET A 41 4.590 -5.541 -29.482 1.00 44.23 H new ATOM 614 N GLU A 42 3.545 -9.422 -23.435 1.00 43.30 N ATOM 615 CA GLU A 42 4.054 -9.734 -22.105 1.00 1.03 C ATOM 616 C GLU A 42 4.460 -11.202 -22.008 1.00 44.33 C ATOM 617 O GLU A 42 5.576 -11.522 -21.598 1.00 70.45 O ATOM 618 CB GLU A 42 2.999 -9.415 -21.043 1.00 44.31 C ATOM 619 CG GLU A 42 3.579 -8.826 -19.767 1.00 75.44 C ATOM 620 CD GLU A 42 3.470 -9.772 -18.587 1.00 72.01 C ATOM 621 OE1 GLU A 42 3.423 -10.999 -18.812 1.00 32.42 O ATOM 622 OE2 GLU A 42 3.432 -9.284 -17.438 1.00 41.21 O ATOM 0 H GLU A 42 2.588 -9.069 -23.449 1.00 43.30 H new ATOM 0 HA GLU A 42 4.936 -9.118 -21.928 1.00 1.03 H new ATOM 0 HB2 GLU A 42 2.275 -8.715 -21.460 1.00 44.31 H new ATOM 0 HB3 GLU A 42 2.455 -10.327 -20.798 1.00 44.31 H new ATOM 0 HG2 GLU A 42 4.627 -8.574 -19.931 1.00 75.44 H new ATOM 0 HG3 GLU A 42 3.061 -7.896 -19.532 1.00 75.44 H new ATOM 629 N SER A 43 3.547 -12.089 -22.388 1.00 55.14 N ATOM 630 CA SER A 43 3.807 -13.523 -22.341 1.00 40.21 C ATOM 631 C SER A 43 5.105 -13.863 -23.067 1.00 21.42 C ATOM 632 O SER A 43 5.963 -14.567 -22.532 1.00 52.10 O ATOM 633 CB SER A 43 2.643 -14.295 -22.965 1.00 11.00 C ATOM 634 OG SER A 43 2.945 -15.676 -23.070 1.00 15.45 O ATOM 0 H SER A 43 2.620 -11.840 -22.732 1.00 55.14 H new ATOM 0 HA SER A 43 3.908 -13.815 -21.296 1.00 40.21 H new ATOM 0 HB2 SER A 43 1.747 -14.161 -22.359 1.00 11.00 H new ATOM 0 HB3 SER A 43 2.423 -13.891 -23.953 1.00 11.00 H new ATOM 0 HG SER A 43 2.185 -16.148 -23.470 1.00 15.45 H new ATOM 640 N HIS A 44 5.242 -13.359 -24.289 1.00 62.11 N ATOM 641 CA HIS A 44 6.436 -13.609 -25.090 1.00 13.34 C ATOM 642 C HIS A 44 7.695 -13.210 -24.326 1.00 41.23 C ATOM 643 O HIS A 44 8.693 -13.931 -24.335 1.00 1.41 O ATOM 644 CB HIS A 44 6.360 -12.840 -26.409 1.00 62.33 C ATOM 645 CG HIS A 44 7.523 -13.095 -27.318 1.00 70.32 C ATOM 646 ND1 HIS A 44 7.406 -13.756 -28.523 1.00 31.44 N ATOM 647 CD2 HIS A 44 8.832 -12.772 -27.194 1.00 35.22 C ATOM 648 CE1 HIS A 44 8.592 -13.831 -29.099 1.00 3.51 C ATOM 649 NE2 HIS A 44 9.475 -13.240 -28.313 1.00 73.31 N ATOM 0 H HIS A 44 4.542 -12.775 -24.747 1.00 62.11 H new ATOM 0 HA HIS A 44 6.485 -14.677 -25.303 1.00 13.34 H new ATOM 0 HB2 HIS A 44 5.439 -13.111 -26.926 1.00 62.33 H new ATOM 0 HB3 HIS A 44 6.303 -11.773 -26.195 1.00 62.33 H new ATOM 0 HD2 HIS A 44 9.286 -12.244 -26.368 1.00 35.22 H new ATOM 0 HE1 HIS A 44 8.804 -14.296 -30.050 1.00 3.51 H new ATOM 0 HE2 HIS A 44 10.472 -13.147 -28.506 1.00 73.31 H new ATOM 657 N VAL A 45 7.642 -12.057 -23.667 1.00 54.54 N ATOM 658 CA VAL A 45 8.778 -11.562 -22.899 1.00 14.22 C ATOM 659 C VAL A 45 9.055 -12.452 -21.693 1.00 33.22 C ATOM 660 O VAL A 45 10.193 -12.854 -21.453 1.00 5.14 O ATOM 661 CB VAL A 45 8.542 -10.119 -22.414 1.00 52.25 C ATOM 662 CG1 VAL A 45 9.797 -9.563 -21.759 1.00 62.44 C ATOM 663 CG2 VAL A 45 8.098 -9.235 -23.570 1.00 70.14 C ATOM 0 H VAL A 45 6.824 -11.448 -23.650 1.00 54.54 H new ATOM 0 HA VAL A 45 9.641 -11.577 -23.565 1.00 14.22 H new ATOM 0 HB VAL A 45 7.747 -10.130 -21.668 1.00 52.25 H new ATOM 0 HG11 VAL A 45 9.611 -8.543 -21.423 1.00 62.44 H new ATOM 0 HG12 VAL A 45 10.067 -10.183 -20.904 1.00 62.44 H new ATOM 0 HG13 VAL A 45 10.615 -9.564 -22.480 1.00 62.44 H new ATOM 0 HG21 VAL A 45 7.936 -8.219 -23.210 1.00 70.14 H new ATOM 0 HG22 VAL A 45 8.870 -9.228 -24.340 1.00 70.14 H new ATOM 0 HG23 VAL A 45 7.170 -9.624 -23.990 1.00 70.14 H new ATOM 673 N PHE A 46 8.006 -12.758 -20.936 1.00 54.14 N ATOM 674 CA PHE A 46 8.136 -13.601 -19.754 1.00 35.22 C ATOM 675 C PHE A 46 8.861 -14.901 -20.090 1.00 4.35 C ATOM 676 O PHE A 46 9.796 -15.301 -19.394 1.00 11.11 O ATOM 677 CB PHE A 46 6.756 -13.911 -19.168 1.00 43.22 C ATOM 678 CG PHE A 46 6.798 -14.334 -17.728 1.00 30.03 C ATOM 679 CD1 PHE A 46 7.066 -15.650 -17.386 1.00 11.20 C ATOM 680 CD2 PHE A 46 6.570 -13.416 -16.715 1.00 73.13 C ATOM 681 CE1 PHE A 46 7.104 -16.042 -16.061 1.00 40.12 C ATOM 682 CE2 PHE A 46 6.607 -13.802 -15.389 1.00 30.34 C ATOM 683 CZ PHE A 46 6.876 -15.117 -15.061 1.00 55.23 C ATOM 0 H PHE A 46 7.056 -12.434 -21.121 1.00 54.14 H new ATOM 0 HA PHE A 46 8.724 -13.058 -19.014 1.00 35.22 H new ATOM 0 HB2 PHE A 46 6.124 -13.028 -19.261 1.00 43.22 H new ATOM 0 HB3 PHE A 46 6.289 -14.700 -19.757 1.00 43.22 H new ATOM 0 HD1 PHE A 46 7.247 -16.377 -18.163 1.00 11.20 H new ATOM 0 HD2 PHE A 46 6.361 -12.386 -16.965 1.00 73.13 H new ATOM 0 HE1 PHE A 46 7.312 -17.071 -15.808 1.00 40.12 H new ATOM 0 HE2 PHE A 46 6.426 -13.077 -14.610 1.00 30.34 H new ATOM 0 HZ PHE A 46 6.908 -15.421 -14.025 1.00 55.23 H new ATOM 693 N LEU A 47 8.425 -15.556 -21.160 1.00 13.35 N ATOM 694 CA LEU A 47 9.032 -16.811 -21.589 1.00 14.13 C ATOM 695 C LEU A 47 10.420 -16.573 -22.173 1.00 41.43 C ATOM 696 O LEU A 47 11.274 -17.459 -22.155 1.00 22.22 O ATOM 697 CB LEU A 47 8.142 -17.503 -22.623 1.00 41.22 C ATOM 698 CG LEU A 47 7.083 -18.456 -22.068 1.00 25.22 C ATOM 699 CD1 LEU A 47 5.938 -18.616 -23.055 1.00 41.24 C ATOM 700 CD2 LEU A 47 7.702 -19.808 -21.742 1.00 74.12 C ATOM 0 H LEU A 47 7.653 -15.239 -21.747 1.00 13.35 H new ATOM 0 HA LEU A 47 9.132 -17.455 -20.715 1.00 14.13 H new ATOM 0 HB2 LEU A 47 7.639 -16.736 -23.211 1.00 41.22 H new ATOM 0 HB3 LEU A 47 8.781 -18.061 -23.307 1.00 41.22 H new ATOM 0 HG LEU A 47 6.684 -18.029 -21.148 1.00 25.22 H new ATOM 0 HD11 LEU A 47 5.194 -19.298 -22.642 1.00 41.24 H new ATOM 0 HD12 LEU A 47 5.478 -17.645 -23.239 1.00 41.24 H new ATOM 0 HD13 LEU A 47 6.320 -19.020 -23.993 1.00 41.24 H new ATOM 0 HD21 LEU A 47 6.934 -20.474 -21.348 1.00 74.12 H new ATOM 0 HD22 LEU A 47 8.128 -20.241 -22.647 1.00 74.12 H new ATOM 0 HD23 LEU A 47 8.487 -19.679 -20.997 1.00 74.12 H new ATOM 712 N LYS A 48 10.640 -15.368 -22.690 1.00 70.52 N ATOM 713 CA LYS A 48 11.926 -15.011 -23.277 1.00 53.44 C ATOM 714 C LYS A 48 12.918 -14.590 -22.198 1.00 64.04 C ATOM 715 O LYS A 48 14.112 -14.448 -22.461 1.00 62.25 O ATOM 716 CB LYS A 48 11.749 -13.878 -24.292 1.00 31.51 C ATOM 717 CG LYS A 48 13.021 -13.535 -25.048 1.00 13.02 C ATOM 718 CD LYS A 48 12.715 -12.940 -26.412 1.00 40.11 C ATOM 719 CE LYS A 48 13.896 -12.148 -26.952 1.00 62.32 C ATOM 720 NZ LYS A 48 13.457 -10.949 -27.717 1.00 54.24 N ATOM 0 H LYS A 48 9.944 -14.623 -22.714 1.00 70.52 H new ATOM 0 HA LYS A 48 12.321 -15.890 -23.787 1.00 53.44 H new ATOM 0 HB2 LYS A 48 10.976 -14.159 -25.007 1.00 31.51 H new ATOM 0 HB3 LYS A 48 11.394 -12.988 -23.772 1.00 31.51 H new ATOM 0 HG2 LYS A 48 13.612 -12.828 -24.466 1.00 13.02 H new ATOM 0 HG3 LYS A 48 13.627 -14.433 -25.169 1.00 13.02 H new ATOM 0 HD2 LYS A 48 12.461 -13.738 -27.110 1.00 40.11 H new ATOM 0 HD3 LYS A 48 11.843 -12.291 -26.339 1.00 40.11 H new ATOM 0 HE2 LYS A 48 14.534 -11.837 -26.124 1.00 62.32 H new ATOM 0 HE3 LYS A 48 14.499 -12.789 -27.596 1.00 62.32 H new ATOM 0 HZ1 LYS A 48 14.291 -10.437 -28.068 1.00 54.24 H new ATOM 0 HZ2 LYS A 48 12.869 -11.247 -28.522 1.00 54.24 H new ATOM 0 HZ3 LYS A 48 12.903 -10.325 -27.096 1.00 54.24 H new ATOM 734 N ALA A 49 12.417 -14.394 -20.983 1.00 51.44 N ATOM 735 CA ALA A 49 13.261 -13.993 -19.864 1.00 74.03 C ATOM 736 C ALA A 49 13.665 -15.198 -19.022 1.00 75.53 C ATOM 737 O ALA A 49 12.917 -16.171 -18.912 1.00 42.23 O ATOM 738 CB ALA A 49 12.543 -12.963 -19.005 1.00 0.13 C ATOM 0 H ALA A 49 11.431 -14.506 -20.748 1.00 51.44 H new ATOM 0 HA ALA A 49 14.169 -13.544 -20.268 1.00 74.03 H new ATOM 0 HB1 ALA A 49 13.184 -12.672 -18.173 1.00 0.13 H new ATOM 0 HB2 ALA A 49 12.310 -12.085 -19.608 1.00 0.13 H new ATOM 0 HB3 ALA A 49 11.619 -13.393 -18.618 1.00 0.13 H new ATOM 744 N LYS A 50 14.852 -15.129 -18.430 1.00 33.33 N ATOM 745 CA LYS A 50 15.356 -16.214 -17.597 1.00 30.44 C ATOM 746 C LYS A 50 15.156 -15.902 -16.117 1.00 25.21 C ATOM 747 O LYS A 50 15.074 -16.807 -15.286 1.00 21.32 O ATOM 748 CB LYS A 50 16.840 -16.457 -17.882 1.00 52.10 C ATOM 749 CG LYS A 50 17.099 -17.659 -18.774 1.00 2.14 C ATOM 750 CD LYS A 50 16.799 -17.348 -20.230 1.00 50.23 C ATOM 751 CE LYS A 50 17.541 -18.290 -21.166 1.00 31.12 C ATOM 752 NZ LYS A 50 16.808 -18.491 -22.446 1.00 70.04 N ATOM 0 H LYS A 50 15.484 -14.332 -18.512 1.00 33.33 H new ATOM 0 HA LYS A 50 14.794 -17.116 -17.839 1.00 30.44 H new ATOM 0 HB2 LYS A 50 17.261 -15.569 -18.352 1.00 52.10 H new ATOM 0 HB3 LYS A 50 17.365 -16.597 -16.937 1.00 52.10 H new ATOM 0 HG2 LYS A 50 18.139 -17.970 -18.674 1.00 2.14 H new ATOM 0 HG3 LYS A 50 16.483 -18.496 -18.446 1.00 2.14 H new ATOM 0 HD2 LYS A 50 15.726 -17.428 -20.407 1.00 50.23 H new ATOM 0 HD3 LYS A 50 17.082 -16.318 -20.449 1.00 50.23 H new ATOM 0 HE2 LYS A 50 18.533 -17.888 -21.375 1.00 31.12 H new ATOM 0 HE3 LYS A 50 17.684 -19.252 -20.674 1.00 31.12 H new ATOM 0 HZ1 LYS A 50 17.346 -19.139 -23.056 1.00 70.04 H new ATOM 0 HZ2 LYS A 50 15.871 -18.898 -22.249 1.00 70.04 H new ATOM 0 HZ3 LYS A 50 16.694 -17.576 -22.928 1.00 70.04 H new ATOM 766 N THR A 51 15.078 -14.615 -15.794 1.00 0.04 N ATOM 767 CA THR A 51 14.888 -14.184 -14.415 1.00 12.44 C ATOM 768 C THR A 51 14.078 -12.894 -14.349 1.00 3.53 C ATOM 769 O THR A 51 13.819 -12.259 -15.372 1.00 23.34 O ATOM 770 CB THR A 51 16.236 -13.967 -13.703 1.00 4.15 C ATOM 771 OG1 THR A 51 16.934 -12.868 -14.299 1.00 64.21 O ATOM 772 CG2 THR A 51 17.095 -15.220 -13.777 1.00 61.40 C ATOM 0 H THR A 51 15.144 -13.853 -16.469 1.00 0.04 H new ATOM 0 HA THR A 51 14.342 -14.979 -13.908 1.00 12.44 H new ATOM 0 HB THR A 51 16.036 -13.744 -12.655 1.00 4.15 H new ATOM 0 HG1 THR A 51 17.789 -12.736 -13.839 1.00 64.21 H new ATOM 0 HG21 THR A 51 18.042 -15.043 -13.267 1.00 61.40 H new ATOM 0 HG22 THR A 51 16.574 -16.048 -13.296 1.00 61.40 H new ATOM 0 HG23 THR A 51 17.286 -15.469 -14.821 1.00 61.40 H new ATOM 780 N ARG A 52 13.682 -12.510 -13.140 1.00 31.25 N ATOM 781 CA ARG A 52 12.901 -11.295 -12.941 1.00 61.10 C ATOM 782 C ARG A 52 13.621 -10.084 -13.528 1.00 72.40 C ATOM 783 O ARG A 52 12.991 -9.092 -13.892 1.00 55.53 O ATOM 784 CB ARG A 52 12.636 -11.071 -11.451 1.00 61.41 C ATOM 785 CG ARG A 52 13.899 -10.849 -10.635 1.00 13.14 C ATOM 786 CD ARG A 52 13.828 -11.562 -9.293 1.00 54.13 C ATOM 787 NE ARG A 52 15.076 -11.446 -8.545 1.00 3.21 N ATOM 788 CZ ARG A 52 15.414 -12.257 -7.549 1.00 23.11 C ATOM 789 NH1 ARG A 52 14.601 -13.239 -7.184 1.00 2.30 N ATOM 790 NH2 ARG A 52 16.568 -12.088 -6.916 1.00 2.40 N ATOM 0 H ARG A 52 13.889 -13.023 -12.283 1.00 31.25 H new ATOM 0 HA ARG A 52 11.949 -11.417 -13.458 1.00 61.10 H new ATOM 0 HB2 ARG A 52 11.981 -10.208 -11.333 1.00 61.41 H new ATOM 0 HB3 ARG A 52 12.102 -11.934 -11.052 1.00 61.41 H new ATOM 0 HG2 ARG A 52 14.763 -11.209 -11.194 1.00 13.14 H new ATOM 0 HG3 ARG A 52 14.046 -9.781 -10.474 1.00 13.14 H new ATOM 0 HD2 ARG A 52 13.012 -11.144 -8.703 1.00 54.13 H new ATOM 0 HD3 ARG A 52 13.598 -12.615 -9.454 1.00 54.13 H new ATOM 0 HE ARG A 52 15.724 -10.701 -8.801 1.00 3.21 H new ATOM 0 HH11 ARG A 52 13.713 -13.373 -7.669 1.00 2.30 H new ATOM 0 HH12 ARG A 52 14.863 -13.860 -6.419 1.00 2.30 H new ATOM 0 HH21 ARG A 52 17.197 -11.335 -7.194 1.00 2.40 H new ATOM 0 HH22 ARG A 52 16.826 -12.712 -6.151 1.00 2.40 H new ATOM 804 N ASP A 53 14.943 -10.174 -13.616 1.00 22.12 N ATOM 805 CA ASP A 53 15.749 -9.087 -14.159 1.00 10.42 C ATOM 806 C ASP A 53 15.626 -9.026 -15.678 1.00 41.51 C ATOM 807 O ASP A 53 15.330 -7.974 -16.244 1.00 11.20 O ATOM 808 CB ASP A 53 17.215 -9.261 -13.760 1.00 21.41 C ATOM 809 CG ASP A 53 17.801 -8.006 -13.144 1.00 21.33 C ATOM 810 OD1 ASP A 53 18.171 -7.088 -13.905 1.00 51.13 O ATOM 811 OD2 ASP A 53 17.889 -7.942 -11.900 1.00 1.21 O ATOM 0 H ASP A 53 15.480 -10.989 -13.318 1.00 22.12 H new ATOM 0 HA ASP A 53 15.377 -8.150 -13.744 1.00 10.42 H new ATOM 0 HB2 ASP A 53 17.300 -10.084 -13.050 1.00 21.41 H new ATOM 0 HB3 ASP A 53 17.797 -9.537 -14.639 1.00 21.41 H new ATOM 816 N GLU A 54 15.857 -10.160 -16.332 1.00 11.14 N ATOM 817 CA GLU A 54 15.774 -10.234 -17.786 1.00 13.35 C ATOM 818 C GLU A 54 14.449 -9.662 -18.284 1.00 64.54 C ATOM 819 O GLU A 54 14.422 -8.834 -19.195 1.00 11.13 O ATOM 820 CB GLU A 54 15.926 -11.682 -18.255 1.00 32.25 C ATOM 821 CG GLU A 54 16.100 -11.820 -19.758 1.00 22.24 C ATOM 822 CD GLU A 54 16.798 -13.109 -20.148 1.00 50.41 C ATOM 823 OE1 GLU A 54 17.692 -13.550 -19.396 1.00 34.15 O ATOM 824 OE2 GLU A 54 16.451 -13.675 -21.205 1.00 41.04 O ATOM 0 H GLU A 54 16.103 -11.040 -15.878 1.00 11.14 H new ATOM 0 HA GLU A 54 16.587 -9.639 -18.202 1.00 13.35 H new ATOM 0 HB2 GLU A 54 16.786 -12.128 -17.756 1.00 32.25 H new ATOM 0 HB3 GLU A 54 15.048 -12.249 -17.946 1.00 32.25 H new ATOM 0 HG2 GLU A 54 15.122 -11.781 -20.238 1.00 22.24 H new ATOM 0 HG3 GLU A 54 16.674 -10.973 -20.133 1.00 22.24 H new ATOM 831 N TYR A 55 13.354 -10.112 -17.682 1.00 41.21 N ATOM 832 CA TYR A 55 12.026 -9.649 -18.066 1.00 50.43 C ATOM 833 C TYR A 55 11.873 -8.153 -17.804 1.00 65.41 C ATOM 834 O TYR A 55 11.610 -7.374 -18.721 1.00 4.33 O ATOM 835 CB TYR A 55 10.952 -10.424 -17.302 1.00 14.10 C ATOM 836 CG TYR A 55 9.564 -9.840 -17.448 1.00 64.31 C ATOM 837 CD1 TYR A 55 8.799 -10.092 -18.580 1.00 64.24 C ATOM 838 CD2 TYR A 55 9.019 -9.036 -16.455 1.00 22.52 C ATOM 839 CE1 TYR A 55 7.532 -9.561 -18.719 1.00 13.43 C ATOM 840 CE2 TYR A 55 7.752 -8.502 -16.584 1.00 11.01 C ATOM 841 CZ TYR A 55 7.012 -8.767 -17.718 1.00 3.44 C ATOM 842 OH TYR A 55 5.750 -8.235 -17.851 1.00 1.14 O ATOM 0 H TYR A 55 13.360 -10.797 -16.926 1.00 41.21 H new ATOM 0 HA TYR A 55 11.902 -9.827 -19.134 1.00 50.43 H new ATOM 0 HB2 TYR A 55 10.942 -11.456 -17.653 1.00 14.10 H new ATOM 0 HB3 TYR A 55 11.217 -10.450 -16.245 1.00 14.10 H new ATOM 0 HD1 TYR A 55 9.202 -10.714 -19.365 1.00 64.24 H new ATOM 0 HD2 TYR A 55 9.596 -8.825 -15.567 1.00 22.52 H new ATOM 0 HE1 TYR A 55 6.951 -9.766 -19.606 1.00 13.43 H new ATOM 0 HE2 TYR A 55 7.343 -7.880 -15.802 1.00 11.01 H new ATOM 0 HH TYR A 55 5.126 -8.727 -17.278 1.00 1.14 H new ATOM 852 N LEU A 56 12.041 -7.760 -16.546 1.00 62.14 N ATOM 853 CA LEU A 56 11.923 -6.358 -16.161 1.00 24.10 C ATOM 854 C LEU A 56 12.775 -5.472 -17.064 1.00 51.32 C ATOM 855 O LEU A 56 12.435 -4.315 -17.315 1.00 22.41 O ATOM 856 CB LEU A 56 12.344 -6.173 -14.702 1.00 0.30 C ATOM 857 CG LEU A 56 11.248 -6.379 -13.656 1.00 52.40 C ATOM 858 CD1 LEU A 56 11.843 -6.885 -12.351 1.00 41.43 C ATOM 859 CD2 LEU A 56 10.479 -5.085 -13.427 1.00 61.35 C ATOM 0 H LEU A 56 12.259 -8.392 -15.776 1.00 62.14 H new ATOM 0 HA LEU A 56 10.880 -6.062 -16.272 1.00 24.10 H new ATOM 0 HB2 LEU A 56 13.157 -6.867 -14.489 1.00 0.30 H new ATOM 0 HB3 LEU A 56 12.745 -5.166 -14.585 1.00 0.30 H new ATOM 0 HG LEU A 56 10.553 -7.131 -14.030 1.00 52.40 H new ATOM 0 HD11 LEU A 56 11.048 -7.026 -11.619 1.00 41.43 H new ATOM 0 HD12 LEU A 56 12.348 -7.835 -12.526 1.00 41.43 H new ATOM 0 HD13 LEU A 56 12.561 -6.157 -11.972 1.00 41.43 H new ATOM 0 HD21 LEU A 56 9.703 -5.250 -12.680 1.00 61.35 H new ATOM 0 HD22 LEU A 56 11.163 -4.313 -13.075 1.00 61.35 H new ATOM 0 HD23 LEU A 56 10.020 -4.764 -14.362 1.00 61.35 H new ATOM 871 N SER A 57 13.882 -6.023 -17.552 1.00 0.53 N ATOM 872 CA SER A 57 14.783 -5.281 -18.426 1.00 64.53 C ATOM 873 C SER A 57 14.181 -5.123 -19.819 1.00 13.12 C ATOM 874 O SER A 57 14.033 -4.008 -20.321 1.00 45.13 O ATOM 875 CB SER A 57 16.135 -5.992 -18.521 1.00 31.10 C ATOM 876 OG SER A 57 17.074 -5.209 -19.238 1.00 34.12 O ATOM 0 H SER A 57 14.176 -6.980 -17.357 1.00 0.53 H new ATOM 0 HA SER A 57 14.930 -4.290 -17.998 1.00 64.53 H new ATOM 0 HB2 SER A 57 16.514 -6.194 -17.519 1.00 31.10 H new ATOM 0 HB3 SER A 57 16.009 -6.956 -19.014 1.00 31.10 H new ATOM 0 HG SER A 57 17.930 -5.684 -19.283 1.00 34.12 H new ATOM 882 N LEU A 58 13.834 -6.246 -20.438 1.00 13.04 N ATOM 883 CA LEU A 58 13.246 -6.234 -21.773 1.00 4.30 C ATOM 884 C LEU A 58 11.953 -5.425 -21.792 1.00 4.22 C ATOM 885 O LEU A 58 11.679 -4.696 -22.745 1.00 53.31 O ATOM 886 CB LEU A 58 12.974 -7.663 -22.245 1.00 20.12 C ATOM 887 CG LEU A 58 14.204 -8.550 -22.443 1.00 35.42 C ATOM 888 CD1 LEU A 58 13.813 -9.866 -23.099 1.00 14.34 C ATOM 889 CD2 LEU A 58 15.253 -7.829 -23.275 1.00 45.20 C ATOM 0 H LEU A 58 13.950 -7.177 -20.037 1.00 13.04 H new ATOM 0 HA LEU A 58 13.957 -5.763 -22.452 1.00 4.30 H new ATOM 0 HB2 LEU A 58 12.316 -8.144 -21.521 1.00 20.12 H new ATOM 0 HB3 LEU A 58 12.430 -7.615 -23.188 1.00 20.12 H new ATOM 0 HG LEU A 58 14.632 -8.768 -21.465 1.00 35.42 H new ATOM 0 HD11 LEU A 58 14.701 -10.484 -23.232 1.00 14.34 H new ATOM 0 HD12 LEU A 58 13.098 -10.390 -22.465 1.00 14.34 H new ATOM 0 HD13 LEU A 58 13.360 -9.668 -24.070 1.00 14.34 H new ATOM 0 HD21 LEU A 58 16.121 -8.475 -23.406 1.00 45.20 H new ATOM 0 HD22 LEU A 58 14.836 -7.580 -24.251 1.00 45.20 H new ATOM 0 HD23 LEU A 58 15.555 -6.914 -22.766 1.00 45.20 H new ATOM 901 N VAL A 59 11.163 -5.557 -20.731 1.00 42.21 N ATOM 902 CA VAL A 59 9.901 -4.836 -20.624 1.00 15.30 C ATOM 903 C VAL A 59 10.128 -3.328 -20.617 1.00 35.24 C ATOM 904 O VAL A 59 9.539 -2.598 -21.413 1.00 13.32 O ATOM 905 CB VAL A 59 9.133 -5.234 -19.350 1.00 31.44 C ATOM 906 CG1 VAL A 59 7.831 -4.455 -19.244 1.00 42.41 C ATOM 907 CG2 VAL A 59 8.869 -6.733 -19.334 1.00 2.43 C ATOM 0 H VAL A 59 11.375 -6.157 -19.934 1.00 42.21 H new ATOM 0 HA VAL A 59 9.307 -5.107 -21.497 1.00 15.30 H new ATOM 0 HB VAL A 59 9.748 -4.986 -18.485 1.00 31.44 H new ATOM 0 HG11 VAL A 59 7.303 -4.750 -18.337 1.00 42.41 H new ATOM 0 HG12 VAL A 59 8.048 -3.387 -19.206 1.00 42.41 H new ATOM 0 HG13 VAL A 59 7.208 -4.668 -20.113 1.00 42.41 H new ATOM 0 HG21 VAL A 59 8.325 -6.997 -18.427 1.00 2.43 H new ATOM 0 HG22 VAL A 59 8.275 -7.007 -20.206 1.00 2.43 H new ATOM 0 HG23 VAL A 59 9.817 -7.270 -19.358 1.00 2.43 H new ATOM 917 N ALA A 60 10.986 -2.869 -19.712 1.00 31.01 N ATOM 918 CA ALA A 60 11.293 -1.448 -19.602 1.00 62.42 C ATOM 919 C ALA A 60 11.651 -0.858 -20.962 1.00 14.52 C ATOM 920 O ALA A 60 11.023 0.099 -21.418 1.00 24.32 O ATOM 921 CB ALA A 60 12.429 -1.229 -18.614 1.00 41.20 C ATOM 0 H ALA A 60 11.481 -3.460 -19.044 1.00 31.01 H new ATOM 0 HA ALA A 60 10.403 -0.936 -19.235 1.00 62.42 H new ATOM 0 HB1 ALA A 60 12.648 -0.164 -18.542 1.00 41.20 H new ATOM 0 HB2 ALA A 60 12.137 -1.607 -17.634 1.00 41.20 H new ATOM 0 HB3 ALA A 60 13.317 -1.759 -18.957 1.00 41.20 H new ATOM 927 N ARG A 61 12.662 -1.432 -21.604 1.00 62.21 N ATOM 928 CA ARG A 61 13.104 -0.961 -22.911 1.00 40.40 C ATOM 929 C ARG A 61 11.927 -0.852 -23.876 1.00 62.43 C ATOM 930 O ARG A 61 11.814 0.116 -24.629 1.00 4.44 O ATOM 931 CB ARG A 61 14.164 -1.903 -23.485 1.00 54.24 C ATOM 932 CG ARG A 61 15.436 -1.195 -23.922 1.00 12.21 C ATOM 933 CD ARG A 61 16.656 -2.086 -23.751 1.00 70.01 C ATOM 934 NE ARG A 61 17.255 -2.446 -25.034 1.00 0.44 N ATOM 935 CZ ARG A 61 18.271 -3.292 -25.159 1.00 32.44 C ATOM 936 NH1 ARG A 61 18.798 -3.864 -24.085 1.00 33.14 N ATOM 937 NH2 ARG A 61 18.761 -3.569 -26.360 1.00 63.40 N ATOM 0 H ARG A 61 13.191 -2.225 -21.240 1.00 62.21 H new ATOM 0 HA ARG A 61 13.540 0.030 -22.784 1.00 40.40 H new ATOM 0 HB2 ARG A 61 14.415 -2.653 -22.735 1.00 54.24 H new ATOM 0 HB3 ARG A 61 13.742 -2.434 -24.338 1.00 54.24 H new ATOM 0 HG2 ARG A 61 15.347 -0.895 -24.966 1.00 12.21 H new ATOM 0 HG3 ARG A 61 15.565 -0.283 -23.339 1.00 12.21 H new ATOM 0 HD2 ARG A 61 17.396 -1.573 -23.137 1.00 70.01 H new ATOM 0 HD3 ARG A 61 16.371 -2.992 -23.217 1.00 70.01 H new ATOM 0 HE ARG A 61 16.872 -2.024 -25.880 1.00 0.44 H new ATOM 0 HH11 ARG A 61 18.423 -3.655 -23.160 1.00 33.14 H new ATOM 0 HH12 ARG A 61 19.578 -4.513 -24.184 1.00 33.14 H new ATOM 0 HH21 ARG A 61 18.357 -3.132 -27.189 1.00 63.40 H new ATOM 0 HH22 ARG A 61 19.541 -4.219 -26.455 1.00 63.40 H new ATOM 951 N LEU A 62 11.053 -1.853 -23.850 1.00 45.31 N ATOM 952 CA LEU A 62 9.885 -1.871 -24.723 1.00 12.10 C ATOM 953 C LEU A 62 8.967 -0.689 -24.429 1.00 1.51 C ATOM 954 O LEU A 62 8.574 0.045 -25.336 1.00 50.23 O ATOM 955 CB LEU A 62 9.116 -3.182 -24.552 1.00 64.40 C ATOM 956 CG LEU A 62 7.746 -3.250 -25.227 1.00 60.40 C ATOM 957 CD1 LEU A 62 7.617 -4.525 -26.046 1.00 61.22 C ATOM 958 CD2 LEU A 62 6.636 -3.166 -24.190 1.00 32.23 C ATOM 0 H LEU A 62 11.132 -2.662 -23.234 1.00 45.31 H new ATOM 0 HA LEU A 62 10.232 -1.791 -25.753 1.00 12.10 H new ATOM 0 HB2 LEU A 62 9.731 -3.994 -24.941 1.00 64.40 H new ATOM 0 HB3 LEU A 62 8.983 -3.365 -23.486 1.00 64.40 H new ATOM 0 HG LEU A 62 7.652 -2.399 -25.901 1.00 60.40 H new ATOM 0 HD11 LEU A 62 6.635 -4.556 -26.519 1.00 61.22 H new ATOM 0 HD12 LEU A 62 8.391 -4.544 -26.814 1.00 61.22 H new ATOM 0 HD13 LEU A 62 7.732 -5.390 -25.393 1.00 61.22 H new ATOM 0 HD21 LEU A 62 5.668 -3.216 -24.688 1.00 32.23 H new ATOM 0 HD22 LEU A 62 6.728 -3.997 -23.491 1.00 32.23 H new ATOM 0 HD23 LEU A 62 6.716 -2.225 -23.647 1.00 32.23 H new ATOM 970 N ILE A 63 8.632 -0.509 -23.156 1.00 34.01 N ATOM 971 CA ILE A 63 7.763 0.586 -22.742 1.00 42.24 C ATOM 972 C ILE A 63 8.377 1.937 -23.094 1.00 2.25 C ATOM 973 O ILE A 63 7.720 2.794 -23.686 1.00 21.22 O ATOM 974 CB ILE A 63 7.481 0.541 -21.229 1.00 25.20 C ATOM 975 CG1 ILE A 63 6.528 -0.610 -20.900 1.00 1.21 C ATOM 976 CG2 ILE A 63 6.903 1.867 -20.758 1.00 32.41 C ATOM 977 CD1 ILE A 63 6.324 -0.820 -19.416 1.00 23.11 C ATOM 0 H ILE A 63 8.949 -1.107 -22.393 1.00 34.01 H new ATOM 0 HA ILE A 63 6.823 0.464 -23.281 1.00 42.24 H new ATOM 0 HB ILE A 63 8.421 0.371 -20.704 1.00 25.20 H new ATOM 0 HG12 ILE A 63 5.563 -0.417 -21.367 1.00 1.21 H new ATOM 0 HG13 ILE A 63 6.916 -1.529 -21.339 1.00 1.21 H new ATOM 0 HG21 ILE A 63 6.709 1.819 -19.686 1.00 32.41 H new ATOM 0 HG22 ILE A 63 7.614 2.667 -20.963 1.00 32.41 H new ATOM 0 HG23 ILE A 63 5.971 2.066 -21.287 1.00 32.41 H new ATOM 0 HD11 ILE A 63 5.637 -1.651 -19.257 1.00 23.11 H new ATOM 0 HD12 ILE A 63 7.281 -1.045 -18.945 1.00 23.11 H new ATOM 0 HD13 ILE A 63 5.906 0.085 -18.974 1.00 23.11 H new ATOM 989 N ILE A 64 9.641 2.120 -22.726 1.00 31.11 N ATOM 990 CA ILE A 64 10.345 3.366 -23.005 1.00 35.42 C ATOM 991 C ILE A 64 10.320 3.689 -24.495 1.00 15.43 C ATOM 992 O ILE A 64 10.087 4.833 -24.889 1.00 24.22 O ATOM 993 CB ILE A 64 11.808 3.304 -22.529 1.00 11.43 C ATOM 994 CG1 ILE A 64 11.867 3.227 -21.002 1.00 5.43 C ATOM 995 CG2 ILE A 64 12.580 4.514 -23.034 1.00 63.30 C ATOM 996 CD1 ILE A 64 12.810 2.163 -20.487 1.00 25.33 C ATOM 0 H ILE A 64 10.198 1.422 -22.234 1.00 31.11 H new ATOM 0 HA ILE A 64 9.826 4.152 -22.456 1.00 35.42 H new ATOM 0 HB ILE A 64 12.271 2.406 -22.937 1.00 11.43 H new ATOM 0 HG12 ILE A 64 12.176 4.196 -20.609 1.00 5.43 H new ATOM 0 HG13 ILE A 64 10.866 3.031 -20.617 1.00 5.43 H new ATOM 0 HG21 ILE A 64 13.613 4.456 -22.690 1.00 63.30 H new ATOM 0 HG22 ILE A 64 12.561 4.529 -24.124 1.00 63.30 H new ATOM 0 HG23 ILE A 64 12.120 5.425 -22.651 1.00 63.30 H new ATOM 0 HD11 ILE A 64 12.801 2.166 -19.397 1.00 25.33 H new ATOM 0 HD12 ILE A 64 12.490 1.186 -20.850 1.00 25.33 H new ATOM 0 HD13 ILE A 64 13.820 2.369 -20.842 1.00 25.33 H new ATOM 1008 N HIS A 65 10.559 2.675 -25.319 1.00 74.44 N ATOM 1009 CA HIS A 65 10.561 2.851 -26.767 1.00 61.54 C ATOM 1010 C HIS A 65 9.193 3.310 -27.261 1.00 74.13 C ATOM 1011 O HIS A 65 9.093 4.104 -28.197 1.00 4.23 O ATOM 1012 CB HIS A 65 10.955 1.546 -27.460 1.00 74.51 C ATOM 1013 CG HIS A 65 11.926 1.734 -28.585 1.00 34.42 C ATOM 1014 ND1 HIS A 65 12.892 0.805 -28.908 1.00 60.40 N ATOM 1015 CD2 HIS A 65 12.074 2.751 -29.465 1.00 65.11 C ATOM 1016 CE1 HIS A 65 13.594 1.243 -29.937 1.00 44.23 C ATOM 1017 NE2 HIS A 65 13.118 2.422 -30.295 1.00 1.12 N ATOM 0 H HIS A 65 10.754 1.723 -25.009 1.00 74.44 H new ATOM 0 HA HIS A 65 11.293 3.620 -27.013 1.00 61.54 H new ATOM 0 HB2 HIS A 65 11.391 0.871 -26.724 1.00 74.51 H new ATOM 0 HB3 HIS A 65 10.057 1.062 -27.844 1.00 74.51 H new ATOM 0 HD2 HIS A 65 11.482 3.653 -29.507 1.00 65.11 H new ATOM 0 HE1 HIS A 65 14.417 0.725 -30.406 1.00 44.23 H new ATOM 0 HE2 HIS A 65 13.469 2.995 -31.063 1.00 1.12 H new ATOM 1025 N PHE A 66 8.140 2.804 -26.627 1.00 52.42 N ATOM 1026 CA PHE A 66 6.777 3.161 -27.003 1.00 51.43 C ATOM 1027 C PHE A 66 6.484 4.620 -26.666 1.00 0.43 C ATOM 1028 O PHE A 66 5.960 5.367 -27.493 1.00 33.34 O ATOM 1029 CB PHE A 66 5.774 2.250 -26.292 1.00 52.54 C ATOM 1030 CG PHE A 66 5.558 0.938 -26.990 1.00 34.34 C ATOM 1031 CD1 PHE A 66 5.268 0.897 -28.344 1.00 31.22 C ATOM 1032 CD2 PHE A 66 5.643 -0.255 -26.290 1.00 65.43 C ATOM 1033 CE1 PHE A 66 5.069 -0.310 -28.989 1.00 13.55 C ATOM 1034 CE2 PHE A 66 5.446 -1.465 -26.930 1.00 13.44 C ATOM 1035 CZ PHE A 66 5.157 -1.492 -28.280 1.00 52.30 C ATOM 0 H PHE A 66 8.205 2.146 -25.851 1.00 52.42 H new ATOM 0 HA PHE A 66 6.677 3.028 -28.080 1.00 51.43 H new ATOM 0 HB2 PHE A 66 6.124 2.060 -25.277 1.00 52.54 H new ATOM 0 HB3 PHE A 66 4.819 2.769 -26.208 1.00 52.54 H new ATOM 0 HD1 PHE A 66 5.196 1.819 -28.903 1.00 31.22 H new ATOM 0 HD2 PHE A 66 5.865 -0.240 -25.233 1.00 65.43 H new ATOM 0 HE1 PHE A 66 4.845 -0.328 -30.045 1.00 13.55 H new ATOM 0 HE2 PHE A 66 5.518 -2.388 -26.374 1.00 13.44 H new ATOM 0 HZ PHE A 66 5.000 -2.436 -28.781 1.00 52.30 H new ATOM 1045 N ARG A 67 6.826 5.019 -25.445 1.00 1.20 N ATOM 1046 CA ARG A 67 6.599 6.388 -24.997 1.00 34.45 C ATOM 1047 C ARG A 67 7.318 7.383 -25.902 1.00 3.13 C ATOM 1048 O ARG A 67 6.794 8.456 -26.202 1.00 71.44 O ATOM 1049 CB ARG A 67 7.074 6.559 -23.552 1.00 55.35 C ATOM 1050 CG ARG A 67 6.263 5.759 -22.546 1.00 3.33 C ATOM 1051 CD ARG A 67 7.153 5.147 -21.476 1.00 20.55 C ATOM 1052 NE ARG A 67 7.696 6.156 -20.571 1.00 14.34 N ATOM 1053 CZ ARG A 67 6.993 6.725 -19.597 1.00 74.34 C ATOM 1054 NH1 ARG A 67 5.726 6.384 -19.404 1.00 21.33 N ATOM 1055 NH2 ARG A 67 7.557 7.636 -18.815 1.00 33.10 N ATOM 0 H ARG A 67 7.261 4.414 -24.749 1.00 1.20 H new ATOM 0 HA ARG A 67 5.529 6.587 -25.047 1.00 34.45 H new ATOM 0 HB2 ARG A 67 8.120 6.259 -23.484 1.00 55.35 H new ATOM 0 HB3 ARG A 67 7.028 7.615 -23.286 1.00 55.35 H new ATOM 0 HG2 ARG A 67 5.521 6.406 -22.078 1.00 3.33 H new ATOM 0 HG3 ARG A 67 5.717 4.969 -23.062 1.00 3.33 H new ATOM 0 HD2 ARG A 67 6.581 4.417 -20.903 1.00 20.55 H new ATOM 0 HD3 ARG A 67 7.973 4.608 -21.951 1.00 20.55 H new ATOM 0 HE ARG A 67 8.668 6.440 -20.693 1.00 14.34 H new ATOM 0 HH11 ARG A 67 5.289 5.684 -20.004 1.00 21.33 H new ATOM 0 HH12 ARG A 67 5.188 6.822 -18.656 1.00 21.33 H new ATOM 0 HH21 ARG A 67 8.531 7.901 -18.961 1.00 33.10 H new ATOM 0 HH22 ARG A 67 7.016 8.072 -18.068 1.00 33.10 H new ATOM 1069 N ASP A 68 8.522 7.021 -26.332 1.00 33.50 N ATOM 1070 CA ASP A 68 9.314 7.881 -27.203 1.00 54.12 C ATOM 1071 C ASP A 68 8.619 8.081 -28.547 1.00 21.13 C ATOM 1072 O ASP A 68 8.465 9.209 -29.015 1.00 11.42 O ATOM 1073 CB ASP A 68 10.705 7.284 -27.418 1.00 71.51 C ATOM 1074 CG ASP A 68 11.534 8.086 -28.401 1.00 41.05 C ATOM 1075 OD1 ASP A 68 11.401 7.850 -29.620 1.00 64.43 O ATOM 1076 OD2 ASP A 68 12.316 8.950 -27.952 1.00 64.12 O ATOM 0 H ASP A 68 8.971 6.137 -26.091 1.00 33.50 H new ATOM 0 HA ASP A 68 9.416 8.852 -26.718 1.00 54.12 H new ATOM 0 HB2 ASP A 68 11.227 7.234 -26.463 1.00 71.51 H new ATOM 0 HB3 ASP A 68 10.606 6.261 -27.781 1.00 71.51 H new ATOM 1081 N ILE A 69 8.203 6.979 -29.162 1.00 24.13 N ATOM 1082 CA ILE A 69 7.526 7.034 -30.451 1.00 33.40 C ATOM 1083 C ILE A 69 6.358 8.013 -30.417 1.00 12.40 C ATOM 1084 O ILE A 69 6.200 8.839 -31.317 1.00 12.44 O ATOM 1085 CB ILE A 69 7.006 5.647 -30.873 1.00 34.31 C ATOM 1086 CG1 ILE A 69 8.166 4.656 -30.988 1.00 11.11 C ATOM 1087 CG2 ILE A 69 6.251 5.742 -32.190 1.00 50.44 C ATOM 1088 CD1 ILE A 69 7.785 3.236 -30.633 1.00 24.23 C ATOM 0 H ILE A 69 8.323 6.038 -28.788 1.00 24.13 H new ATOM 0 HA ILE A 69 8.262 7.375 -31.180 1.00 33.40 H new ATOM 0 HB ILE A 69 6.319 5.285 -30.108 1.00 34.31 H new ATOM 0 HG12 ILE A 69 8.551 4.676 -32.008 1.00 11.11 H new ATOM 0 HG13 ILE A 69 8.976 4.980 -30.335 1.00 11.11 H new ATOM 0 HG21 ILE A 69 5.890 4.754 -32.475 1.00 50.44 H new ATOM 0 HG22 ILE A 69 5.404 6.419 -32.076 1.00 50.44 H new ATOM 0 HG23 ILE A 69 6.917 6.122 -32.965 1.00 50.44 H new ATOM 0 HD11 ILE A 69 8.656 2.589 -30.737 1.00 24.23 H new ATOM 0 HD12 ILE A 69 7.428 3.202 -29.604 1.00 24.23 H new ATOM 0 HD13 ILE A 69 6.996 2.893 -31.302 1.00 24.23 H new ATOM 1100 N HIS A 70 5.542 7.917 -29.372 1.00 11.31 N ATOM 1101 CA HIS A 70 4.389 8.797 -29.219 1.00 12.23 C ATOM 1102 C HIS A 70 4.832 10.233 -28.956 1.00 42.21 C ATOM 1103 O HIS A 70 4.323 11.172 -29.567 1.00 70.41 O ATOM 1104 CB HIS A 70 3.497 8.310 -28.077 1.00 33.43 C ATOM 1105 CG HIS A 70 2.282 9.158 -27.862 1.00 14.34 C ATOM 1106 ND1 HIS A 70 1.844 10.092 -28.777 1.00 71.22 N ATOM 1107 CD2 HIS A 70 1.409 9.209 -26.828 1.00 40.40 C ATOM 1108 CE1 HIS A 70 0.756 10.682 -28.315 1.00 72.34 C ATOM 1109 NE2 HIS A 70 0.471 10.164 -27.134 1.00 75.13 N ATOM 0 H HIS A 70 5.658 7.239 -28.619 1.00 11.31 H new ATOM 0 HA HIS A 70 3.821 8.775 -30.149 1.00 12.23 H new ATOM 0 HB2 HIS A 70 3.184 7.287 -28.283 1.00 33.43 H new ATOM 0 HB3 HIS A 70 4.080 8.286 -27.157 1.00 33.43 H new ATOM 0 HD1 HIS A 70 2.290 10.296 -29.671 1.00 71.22 H new ATOM 0 HD2 HIS A 70 1.444 8.610 -25.930 1.00 40.40 H new ATOM 0 HE1 HIS A 70 0.195 11.456 -28.818 1.00 72.34 H new ATOM 1117 N ASN A 71 5.784 10.396 -28.042 1.00 73.15 N ATOM 1118 CA ASN A 71 6.295 11.718 -27.698 1.00 75.21 C ATOM 1119 C ASN A 71 6.910 12.398 -28.917 1.00 62.32 C ATOM 1120 O ASN A 71 6.959 13.625 -28.999 1.00 51.22 O ATOM 1121 CB ASN A 71 7.334 11.610 -26.581 1.00 2.43 C ATOM 1122 CG ASN A 71 6.791 12.064 -25.240 1.00 35.24 C ATOM 1123 OD1 ASN A 71 7.049 13.184 -24.799 1.00 71.10 O ATOM 1124 ND2 ASN A 71 6.033 11.193 -24.583 1.00 61.53 N ATOM 0 H ASN A 71 6.217 9.629 -27.527 1.00 73.15 H new ATOM 0 HA ASN A 71 5.459 12.325 -27.350 1.00 75.21 H new ATOM 0 HB2 ASN A 71 7.672 10.577 -26.502 1.00 2.43 H new ATOM 0 HB3 ASN A 71 8.205 12.212 -26.840 1.00 2.43 H new ATOM 0 HD21 ASN A 71 5.639 11.442 -23.676 1.00 61.53 H new ATOM 0 HD22 ASN A 71 5.845 10.275 -24.986 1.00 61.53 H new ATOM 1131 N LYS A 72 7.379 11.591 -29.864 1.00 1.45 N ATOM 1132 CA LYS A 72 7.990 12.113 -31.080 1.00 43.12 C ATOM 1133 C LYS A 72 9.175 13.016 -30.750 1.00 74.12 C ATOM 1134 O LYS A 72 9.018 14.225 -30.575 1.00 73.53 O ATOM 1135 CB LYS A 72 6.958 12.888 -31.902 1.00 50.21 C ATOM 1136 CG LYS A 72 5.884 12.007 -32.517 1.00 3.11 C ATOM 1137 CD LYS A 72 4.862 12.828 -33.285 1.00 33.23 C ATOM 1138 CE LYS A 72 3.692 13.231 -32.399 1.00 63.25 C ATOM 1139 NZ LYS A 72 3.576 14.710 -32.273 1.00 40.15 N ATOM 0 H LYS A 72 7.347 10.573 -29.812 1.00 1.45 H new ATOM 0 HA LYS A 72 8.352 11.268 -31.666 1.00 43.12 H new ATOM 0 HB2 LYS A 72 6.483 13.633 -31.264 1.00 50.21 H new ATOM 0 HB3 LYS A 72 7.471 13.429 -32.697 1.00 50.21 H new ATOM 0 HG2 LYS A 72 6.346 11.281 -33.186 1.00 3.11 H new ATOM 0 HG3 LYS A 72 5.382 11.442 -31.732 1.00 3.11 H new ATOM 0 HD2 LYS A 72 5.340 13.721 -33.688 1.00 33.23 H new ATOM 0 HD3 LYS A 72 4.495 12.252 -34.135 1.00 33.23 H new ATOM 0 HE2 LYS A 72 2.768 12.828 -32.813 1.00 63.25 H new ATOM 0 HE3 LYS A 72 3.817 12.791 -31.410 1.00 63.25 H new ATOM 0 HZ1 LYS A 72 2.768 14.944 -31.662 1.00 40.15 H new ATOM 0 HZ2 LYS A 72 4.448 15.092 -31.855 1.00 40.15 H new ATOM 0 HZ3 LYS A 72 3.431 15.128 -33.214 1.00 40.15 H new ATOM 1153 N LYS A 73 10.360 12.422 -30.668 1.00 4.23 N ATOM 1154 CA LYS A 73 11.573 13.172 -30.362 1.00 14.44 C ATOM 1155 C LYS A 73 11.722 14.370 -31.295 1.00 34.23 C ATOM 1156 O LYS A 73 11.420 14.283 -32.485 1.00 22.50 O ATOM 1157 CB LYS A 73 12.801 12.266 -30.477 1.00 54.43 C ATOM 1158 CG LYS A 73 13.841 12.512 -29.398 1.00 62.24 C ATOM 1159 CD LYS A 73 14.056 11.277 -28.540 1.00 20.24 C ATOM 1160 CE LYS A 73 15.404 11.314 -27.836 1.00 42.55 C ATOM 1161 NZ LYS A 73 16.237 10.126 -28.170 1.00 42.12 N ATOM 0 H LYS A 73 10.507 11.423 -30.809 1.00 4.23 H new ATOM 0 HA LYS A 73 11.495 13.539 -29.338 1.00 14.44 H new ATOM 0 HB2 LYS A 73 12.480 11.225 -30.430 1.00 54.43 H new ATOM 0 HB3 LYS A 73 13.261 12.414 -31.454 1.00 54.43 H new ATOM 0 HG2 LYS A 73 14.784 12.804 -29.860 1.00 62.24 H new ATOM 0 HG3 LYS A 73 13.524 13.343 -28.768 1.00 62.24 H new ATOM 0 HD2 LYS A 73 13.260 11.204 -27.799 1.00 20.24 H new ATOM 0 HD3 LYS A 73 13.994 10.385 -29.163 1.00 20.24 H new ATOM 0 HE2 LYS A 73 15.937 12.222 -28.119 1.00 42.55 H new ATOM 0 HE3 LYS A 73 15.250 11.358 -26.758 1.00 42.55 H new ATOM 0 HZ1 LYS A 73 17.147 10.189 -27.671 1.00 42.12 H new ATOM 0 HZ2 LYS A 73 15.740 9.260 -27.877 1.00 42.12 H new ATOM 0 HZ3 LYS A 73 16.406 10.098 -29.196 1.00 42.12 H new ATOM 1175 N SER A 74 12.190 15.487 -30.747 1.00 35.33 N ATOM 1176 CA SER A 74 12.376 16.702 -31.530 1.00 43.50 C ATOM 1177 C SER A 74 13.626 17.452 -31.080 1.00 4.25 C ATOM 1178 O SER A 74 14.397 17.945 -31.903 1.00 21.03 O ATOM 1179 CB SER A 74 11.151 17.609 -31.404 1.00 14.24 C ATOM 1180 OG SER A 74 9.966 16.919 -31.762 1.00 62.30 O ATOM 0 H SER A 74 12.447 15.575 -29.764 1.00 35.33 H new ATOM 0 HA SER A 74 12.501 16.415 -32.574 1.00 43.50 H new ATOM 0 HB2 SER A 74 11.068 17.973 -30.380 1.00 14.24 H new ATOM 0 HB3 SER A 74 11.274 18.483 -32.044 1.00 14.24 H new ATOM 0 HG SER A 74 9.197 17.520 -31.671 1.00 62.30 H new ATOM 1186 N GLN A 75 13.819 17.534 -29.767 1.00 61.40 N ATOM 1187 CA GLN A 75 14.975 18.224 -29.206 1.00 72.34 C ATOM 1188 C GLN A 75 15.394 17.596 -27.881 1.00 74.01 C ATOM 1189 O GLN A 75 14.930 18.003 -26.816 1.00 41.44 O ATOM 1190 CB GLN A 75 14.661 19.707 -29.005 1.00 42.32 C ATOM 1191 CG GLN A 75 13.337 19.959 -28.302 1.00 4.35 C ATOM 1192 CD GLN A 75 13.405 21.120 -27.329 1.00 42.20 C ATOM 1193 OE1 GLN A 75 13.403 22.284 -27.732 1.00 63.31 O ATOM 1194 NE2 GLN A 75 13.465 20.810 -26.039 1.00 64.33 N ATOM 0 H GLN A 75 13.190 17.131 -29.072 1.00 61.40 H new ATOM 0 HA GLN A 75 15.802 18.127 -29.910 1.00 72.34 H new ATOM 0 HB2 GLN A 75 15.463 20.164 -28.426 1.00 42.32 H new ATOM 0 HB3 GLN A 75 14.647 20.202 -29.976 1.00 42.32 H new ATOM 0 HG2 GLN A 75 12.567 20.159 -29.047 1.00 4.35 H new ATOM 0 HG3 GLN A 75 13.037 19.058 -27.767 1.00 4.35 H new ATOM 0 HE21 GLN A 75 13.464 19.832 -25.749 1.00 64.33 H new ATOM 0 HE22 GLN A 75 13.512 21.550 -25.338 1.00 64.33 H new ATOM 1203 N ALA A 76 16.273 16.602 -27.954 1.00 74.14 N ATOM 1204 CA ALA A 76 16.755 15.919 -26.760 1.00 50.14 C ATOM 1205 C ALA A 76 18.247 16.159 -26.556 1.00 11.13 C ATOM 1206 O ALA A 76 18.886 16.860 -27.340 1.00 52.31 O ATOM 1207 CB ALA A 76 16.466 14.428 -26.852 1.00 40.10 C ATOM 0 H ALA A 76 16.666 16.252 -28.828 1.00 74.14 H new ATOM 0 HA ALA A 76 16.226 16.328 -25.899 1.00 50.14 H new ATOM 0 HB1 ALA A 76 16.831 13.930 -25.954 1.00 40.10 H new ATOM 0 HB2 ALA A 76 15.391 14.271 -26.942 1.00 40.10 H new ATOM 0 HB3 ALA A 76 16.968 14.013 -27.726 1.00 40.10 H new ATOM 1213 N SER A 77 18.796 15.573 -25.496 1.00 50.44 N ATOM 1214 CA SER A 77 20.212 15.728 -25.186 1.00 64.41 C ATOM 1215 C SER A 77 20.922 14.377 -25.202 1.00 43.23 C ATOM 1216 O SER A 77 21.769 14.118 -26.058 1.00 32.03 O ATOM 1217 CB SER A 77 20.387 16.392 -23.819 1.00 44.23 C ATOM 1218 OG SER A 77 19.138 16.795 -23.284 1.00 64.33 O ATOM 0 H SER A 77 18.282 14.987 -24.838 1.00 50.44 H new ATOM 0 HA SER A 77 20.659 16.364 -25.951 1.00 64.41 H new ATOM 0 HB2 SER A 77 20.873 15.698 -23.133 1.00 44.23 H new ATOM 0 HB3 SER A 77 21.042 17.258 -23.913 1.00 44.23 H new ATOM 0 HG SER A 77 19.277 17.215 -22.409 1.00 64.33 H new ATOM 1224 N VAL A 78 20.571 13.519 -24.250 1.00 13.54 N ATOM 1225 CA VAL A 78 21.172 12.195 -24.153 1.00 62.25 C ATOM 1226 C VAL A 78 22.684 12.289 -23.979 1.00 12.04 C ATOM 1227 O VAL A 78 23.187 12.347 -22.857 1.00 32.13 O ATOM 1228 CB VAL A 78 20.863 11.346 -25.401 1.00 13.01 C ATOM 1229 CG1 VAL A 78 21.377 9.926 -25.222 1.00 24.11 C ATOM 1230 CG2 VAL A 78 19.369 11.348 -25.689 1.00 41.21 C ATOM 0 H VAL A 78 19.872 13.718 -23.534 1.00 13.54 H new ATOM 0 HA VAL A 78 20.737 11.714 -23.277 1.00 62.25 H new ATOM 0 HB VAL A 78 21.376 11.787 -26.255 1.00 13.01 H new ATOM 0 HG11 VAL A 78 21.149 9.342 -26.114 1.00 24.11 H new ATOM 0 HG12 VAL A 78 22.456 9.946 -25.067 1.00 24.11 H new ATOM 0 HG13 VAL A 78 20.895 9.471 -24.357 1.00 24.11 H new ATOM 0 HG21 VAL A 78 19.168 10.744 -26.574 1.00 41.21 H new ATOM 0 HG22 VAL A 78 18.833 10.932 -24.836 1.00 41.21 H new ATOM 0 HG23 VAL A 78 19.034 12.370 -25.864 1.00 41.21 H new TER 1240 VAL A 78