USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 652 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 32 SER OG : rot -44:sc= 0.0276 USER MOD Set 1.2: A 39 GLN : amide:sc= 0 X(o=0.028,f=0.027) USER MOD Set 2.1: A 13 MET CE :methyl -151:sc= -0.108 (180deg=-0.385) USER MOD Set 2.2: A 41 GLN : amide:sc= -0.172 K(o=-0.28,f=-0.84) USER MOD Set 3.1: A 2 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 4 HIS : no HE2:sc=-0.00674 X(o=-0.0067,f=-0.4) USER MOD Set 4.1: A 1 LEU N :NH3+ -144:sc= 0.0693 (180deg=-0.562) USER MOD Set 4.2: A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0727 X(o=-0.073,f=-0.016) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= 0.0986 (180deg=0.048) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.307 K(o=-0.31,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ -105:sc= -0.0245 (180deg=-1.48!) USER MOD Single : A 34 THR OG1 : rot 51:sc= 0.856 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.271 K(o=-0.27,f=-0.9) USER MOD Single : A 70 THR OG1 : rot 2:sc= 0.489 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 2.451 44.627 0.937 1.00 0.00 N ATOM 2 CA LEU A 1 3.206 44.690 -0.351 1.00 0.00 C ATOM 3 C LEU A 1 2.737 43.569 -1.269 1.00 0.00 C ATOM 4 O LEU A 1 1.705 42.964 -1.004 1.00 0.00 O ATOM 5 CB LEU A 1 4.736 44.645 -0.113 1.00 0.00 C ATOM 6 CG LEU A 1 5.287 45.461 1.072 1.00 0.00 C ATOM 7 CD1 LEU A 1 6.790 45.269 1.164 1.00 0.00 C ATOM 8 CD2 LEU A 1 4.937 46.936 0.931 1.00 0.00 C ATOM 0 H1 LEU A 1 2.273 45.592 1.282 1.00 0.00 H new ATOM 0 H2 LEU A 1 1.544 44.141 0.785 1.00 0.00 H new ATOM 0 H3 LEU A 1 3.010 44.105 1.642 1.00 0.00 H new ATOM 0 HA LEU A 1 3.000 45.643 -0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 1 5.025 43.604 0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 1 5.230 44.992 -1.021 1.00 0.00 H new ATOM 0 HG LEU A 1 4.825 45.102 1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 1 7.180 45.846 2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 1 7.013 44.213 1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 1 7.258 45.610 0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 1 5.338 47.488 1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 1 5.368 47.326 0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.854 47.052 0.902 1.00 0.00 H new ATOM 22 N CYS A 2 3.584 43.115 -2.194 1.00 0.00 N ATOM 23 CA CYS A 2 3.334 41.969 -3.061 1.00 0.00 C ATOM 24 C CYS A 2 4.669 41.271 -3.313 1.00 0.00 C ATOM 25 O CYS A 2 5.744 41.880 -3.285 1.00 0.00 O ATOM 26 CB CYS A 2 2.679 42.395 -4.400 1.00 0.00 C ATOM 27 SG CYS A 2 3.610 43.683 -5.284 1.00 0.00 S ATOM 0 H CYS A 2 4.491 43.550 -2.364 1.00 0.00 H new ATOM 0 HA CYS A 2 2.634 41.291 -2.573 1.00 0.00 H new ATOM 0 HB2 CYS A 2 2.584 41.520 -5.043 1.00 0.00 H new ATOM 0 HB3 CYS A 2 1.670 42.757 -4.203 1.00 0.00 H new ATOM 0 HG CYS A 2 2.997 43.979 -6.391 1.00 0.00 H new ATOM 33 N VAL A 3 4.577 39.974 -3.563 1.00 0.00 N ATOM 34 CA VAL A 3 5.718 39.057 -3.662 1.00 0.00 C ATOM 35 C VAL A 3 5.462 38.281 -4.940 1.00 0.00 C ATOM 36 O VAL A 3 4.327 37.907 -5.236 1.00 0.00 O ATOM 37 CB VAL A 3 5.847 38.020 -2.490 1.00 0.00 C ATOM 38 CG1 VAL A 3 7.126 38.245 -1.678 1.00 0.00 C ATOM 39 CG2 VAL A 3 4.706 37.993 -1.464 1.00 0.00 C ATOM 0 H VAL A 3 3.681 39.509 -3.708 1.00 0.00 H new ATOM 0 HA VAL A 3 6.639 39.640 -3.631 1.00 0.00 H new ATOM 0 HB VAL A 3 5.836 37.074 -3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.182 37.509 -0.876 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.994 38.138 -2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.114 39.248 -1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.914 37.236 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.623 38.969 -0.987 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.769 37.754 -1.968 1.00 0.00 H new ATOM 49 N HIS A 4 6.533 37.896 -5.610 1.00 0.00 N ATOM 50 CA HIS A 4 6.466 37.378 -6.970 1.00 0.00 C ATOM 51 C HIS A 4 7.246 36.087 -6.899 1.00 0.00 C ATOM 52 O HIS A 4 8.219 35.935 -6.156 1.00 0.00 O ATOM 53 CB HIS A 4 7.144 38.313 -8.018 1.00 0.00 C ATOM 54 CG HIS A 4 6.697 39.753 -8.036 1.00 0.00 C ATOM 55 ND1 HIS A 4 5.398 40.201 -7.778 1.00 0.00 N ATOM 56 CD2 HIS A 4 7.495 40.831 -8.272 1.00 0.00 C ATOM 57 CE1 HIS A 4 5.439 41.535 -7.861 1.00 0.00 C ATOM 58 NE2 HIS A 4 6.688 41.947 -8.159 1.00 0.00 N ATOM 0 H HIS A 4 7.478 37.933 -5.228 1.00 0.00 H new ATOM 0 HA HIS A 4 5.429 37.274 -7.291 1.00 0.00 H new ATOM 0 HB2 HIS A 4 8.220 38.294 -7.844 1.00 0.00 H new ATOM 0 HB3 HIS A 4 6.973 37.892 -9.009 1.00 0.00 H new ATOM 0 HD1 HIS A 4 4.582 39.626 -7.568 1.00 0.00 H new ATOM 0 HD2 HIS A 4 8.550 40.817 -8.502 1.00 0.00 H new ATOM 0 HE1 HIS A 4 4.593 42.189 -7.711 1.00 0.00 H new ATOM 66 N VAL A 5 6.869 35.147 -7.757 1.00 0.00 N ATOM 67 CA VAL A 5 7.343 33.768 -7.707 1.00 0.00 C ATOM 68 C VAL A 5 7.686 33.423 -9.149 1.00 0.00 C ATOM 69 O VAL A 5 7.156 34.003 -10.096 1.00 0.00 O ATOM 70 CB VAL A 5 6.295 32.735 -7.153 1.00 0.00 C ATOM 71 CG1 VAL A 5 6.449 32.641 -5.624 1.00 0.00 C ATOM 72 CG2 VAL A 5 4.814 33.003 -7.482 1.00 0.00 C ATOM 0 H VAL A 5 6.215 35.323 -8.520 1.00 0.00 H new ATOM 0 HA VAL A 5 8.184 33.701 -7.016 1.00 0.00 H new ATOM 0 HB VAL A 5 6.530 31.804 -7.669 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.727 31.927 -5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.458 32.309 -5.380 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.272 33.620 -5.180 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.196 32.220 -7.043 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.519 33.969 -7.073 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.677 33.010 -8.563 1.00 0.00 H new ATOM 82 N ARG A 6 8.660 32.513 -9.297 1.00 0.00 N ATOM 83 CA ARG A 6 9.295 32.172 -10.582 1.00 0.00 C ATOM 84 C ARG A 6 9.004 30.688 -10.779 1.00 0.00 C ATOM 85 O ARG A 6 8.598 29.983 -9.859 1.00 0.00 O ATOM 86 CB ARG A 6 10.832 32.393 -10.578 1.00 0.00 C ATOM 87 CG ARG A 6 11.669 31.241 -9.989 1.00 0.00 C ATOM 88 CD ARG A 6 12.345 30.344 -11.036 1.00 0.00 C ATOM 89 NE ARG A 6 12.455 28.935 -10.586 1.00 0.00 N ATOM 90 CZ ARG A 6 12.943 27.925 -11.286 1.00 0.00 C ATOM 91 NH1 ARG A 6 13.487 28.089 -12.453 1.00 0.00 N ATOM 92 NH2 ARG A 6 12.884 26.721 -10.790 1.00 0.00 N ATOM 0 H ARG A 6 9.037 31.982 -8.512 1.00 0.00 H new ATOM 0 HA ARG A 6 8.904 32.809 -11.375 1.00 0.00 H new ATOM 0 HB2 ARG A 6 11.158 32.568 -11.603 1.00 0.00 H new ATOM 0 HB3 ARG A 6 11.049 33.301 -10.015 1.00 0.00 H new ATOM 0 HG2 ARG A 6 12.437 31.662 -9.340 1.00 0.00 H new ATOM 0 HG3 ARG A 6 11.025 30.624 -9.362 1.00 0.00 H new ATOM 0 HD2 ARG A 6 11.776 30.383 -11.965 1.00 0.00 H new ATOM 0 HD3 ARG A 6 13.340 30.732 -11.255 1.00 0.00 H new ATOM 0 HE ARG A 6 12.122 28.725 -9.645 1.00 0.00 H new ATOM 0 HH11 ARG A 6 13.549 29.022 -12.860 1.00 0.00 H new ATOM 0 HH12 ARG A 6 13.852 27.285 -12.963 1.00 0.00 H new ATOM 0 HH21 ARG A 6 12.465 26.567 -9.873 1.00 0.00 H new ATOM 0 HH22 ARG A 6 13.257 25.933 -11.319 1.00 0.00 H new ATOM 106 N SER A 7 8.998 30.289 -12.042 1.00 0.00 N ATOM 107 CA SER A 7 8.759 28.923 -12.493 1.00 0.00 C ATOM 108 C SER A 7 7.418 28.995 -13.240 1.00 0.00 C ATOM 109 O SER A 7 6.848 30.074 -13.404 1.00 0.00 O ATOM 110 CB SER A 7 9.010 27.783 -11.487 1.00 0.00 C ATOM 111 OG SER A 7 9.301 26.567 -12.163 1.00 0.00 O ATOM 0 H SER A 7 9.166 30.934 -12.814 1.00 0.00 H new ATOM 0 HA SER A 7 9.538 28.575 -13.172 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.840 28.047 -10.831 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.133 27.651 -10.854 1.00 0.00 H new ATOM 0 HG SER A 7 9.459 25.857 -11.506 1.00 0.00 H new ATOM 117 N GLU A 8 6.740 27.868 -13.319 1.00 0.00 N ATOM 118 CA GLU A 8 5.355 27.842 -13.790 1.00 0.00 C ATOM 119 C GLU A 8 4.491 27.787 -12.519 1.00 0.00 C ATOM 120 O GLU A 8 4.776 27.020 -11.581 1.00 0.00 O ATOM 121 CB GLU A 8 5.177 26.547 -14.636 1.00 0.00 C ATOM 122 CG GLU A 8 3.797 26.386 -15.301 1.00 0.00 C ATOM 123 CD GLU A 8 3.800 25.303 -16.412 1.00 0.00 C ATOM 124 OE1 GLU A 8 4.285 24.169 -16.164 1.00 0.00 O ATOM 125 OE2 GLU A 8 3.398 25.601 -17.560 1.00 0.00 O ATOM 0 H GLU A 8 7.118 26.955 -13.065 1.00 0.00 H new ATOM 0 HA GLU A 8 5.081 28.701 -14.402 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.942 26.531 -15.413 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.357 25.685 -13.994 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.060 26.123 -14.543 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.489 27.340 -15.728 1.00 0.00 H new ATOM 132 N GLU A 9 3.435 28.607 -12.468 1.00 0.00 N ATOM 133 CA GLU A 9 2.552 28.734 -11.303 1.00 0.00 C ATOM 134 C GLU A 9 1.114 29.086 -11.727 1.00 0.00 C ATOM 135 O GLU A 9 0.858 29.517 -12.853 1.00 0.00 O ATOM 136 CB GLU A 9 3.055 29.762 -10.255 1.00 0.00 C ATOM 137 CG GLU A 9 3.213 31.238 -10.687 1.00 0.00 C ATOM 138 CD GLU A 9 4.626 31.579 -11.178 1.00 0.00 C ATOM 139 OE1 GLU A 9 5.580 31.296 -10.409 1.00 0.00 O ATOM 140 OE2 GLU A 9 4.715 32.150 -12.280 1.00 0.00 O ATOM 0 H GLU A 9 3.166 29.209 -13.246 1.00 0.00 H new ATOM 0 HA GLU A 9 2.562 27.755 -10.824 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.368 29.736 -9.409 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.023 29.418 -9.891 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.498 31.456 -11.480 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.962 31.884 -9.846 1.00 0.00 H new ATOM 147 N TRP A 10 0.199 28.987 -10.760 1.00 0.00 N ATOM 148 CA TRP A 10 -1.244 29.093 -10.981 1.00 0.00 C ATOM 149 C TRP A 10 -1.792 30.279 -10.180 1.00 0.00 C ATOM 150 O TRP A 10 -2.776 30.883 -10.591 1.00 0.00 O ATOM 151 CB TRP A 10 -1.963 27.830 -10.465 1.00 0.00 C ATOM 152 CG TRP A 10 -1.552 26.546 -11.107 1.00 0.00 C ATOM 153 CD1 TRP A 10 -0.859 25.550 -10.522 1.00 0.00 C ATOM 154 CD2 TRP A 10 -1.811 26.103 -12.476 1.00 0.00 C ATOM 155 NE1 TRP A 10 -0.660 24.527 -11.419 1.00 0.00 N ATOM 156 CE2 TRP A 10 -1.217 24.813 -12.646 1.00 0.00 C ATOM 157 CE3 TRP A 10 -2.472 26.654 -13.592 1.00 0.00 C ATOM 158 CZ2 TRP A 10 -1.268 24.111 -13.860 1.00 0.00 C ATOM 159 CZ3 TRP A 10 -2.543 25.962 -14.817 1.00 0.00 C ATOM 160 CH2 TRP A 10 -1.931 24.691 -14.955 1.00 0.00 C ATOM 0 H TRP A 10 0.446 28.828 -9.783 1.00 0.00 H new ATOM 0 HA TRP A 10 -1.416 29.218 -12.050 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -1.792 27.750 -9.391 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.036 27.960 -10.608 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -0.511 25.554 -9.500 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -0.162 23.664 -11.203 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -2.934 27.627 -13.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -0.805 23.140 -13.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -3.066 26.401 -15.654 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -1.974 24.169 -15.900 1.00 0.00 H new ATOM 171 N ASP A 11 -1.093 30.692 -9.126 1.00 0.00 N ATOM 172 CA ASP A 11 -1.452 31.832 -8.285 1.00 0.00 C ATOM 173 C ASP A 11 -0.173 32.567 -7.861 1.00 0.00 C ATOM 174 O ASP A 11 0.882 31.949 -7.626 1.00 0.00 O ATOM 175 CB ASP A 11 -2.214 31.340 -7.030 1.00 0.00 C ATOM 176 CG ASP A 11 -2.843 32.452 -6.175 1.00 0.00 C ATOM 177 OD1 ASP A 11 -3.090 33.550 -6.731 1.00 0.00 O ATOM 178 OD2 ASP A 11 -3.127 32.175 -4.976 1.00 0.00 O ATOM 0 H ASP A 11 -0.236 30.229 -8.824 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.095 32.510 -8.845 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.002 30.656 -7.346 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.526 30.768 -6.407 1.00 0.00 H new ATOM 183 N LEU A 12 -0.321 33.857 -7.605 1.00 0.00 N ATOM 184 CA LEU A 12 0.766 34.748 -7.218 1.00 0.00 C ATOM 185 C LEU A 12 0.694 34.868 -5.696 1.00 0.00 C ATOM 186 O LEU A 12 -0.299 34.564 -5.030 1.00 0.00 O ATOM 187 CB LEU A 12 0.587 36.160 -7.872 1.00 0.00 C ATOM 188 CG LEU A 12 -0.776 36.869 -7.662 1.00 0.00 C ATOM 189 CD1 LEU A 12 -0.604 38.390 -7.501 1.00 0.00 C ATOM 190 CD2 LEU A 12 -1.723 36.642 -8.845 1.00 0.00 C ATOM 0 H LEU A 12 -1.224 34.328 -7.662 1.00 0.00 H new ATOM 0 HA LEU A 12 1.728 34.357 -7.550 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.370 36.813 -7.487 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.754 36.060 -8.944 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.197 36.436 -6.755 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.580 38.853 -7.356 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.027 38.595 -6.636 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.137 38.800 -8.397 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.667 37.155 -8.659 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.269 37.035 -9.755 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.907 35.574 -8.964 1.00 0.00 H new ATOM 202 N MET A 13 1.706 35.491 -5.110 1.00 0.00 N ATOM 203 CA MET A 13 1.842 35.489 -3.660 1.00 0.00 C ATOM 204 C MET A 13 1.570 36.942 -3.256 1.00 0.00 C ATOM 205 O MET A 13 1.562 37.882 -4.043 1.00 0.00 O ATOM 206 CB MET A 13 3.300 35.118 -3.245 1.00 0.00 C ATOM 207 CG MET A 13 3.728 33.687 -3.589 1.00 0.00 C ATOM 208 SD MET A 13 2.670 32.371 -2.913 1.00 0.00 S ATOM 209 CE MET A 13 2.057 31.652 -4.460 1.00 0.00 C ATOM 0 H MET A 13 2.437 35.999 -5.608 1.00 0.00 H new ATOM 0 HA MET A 13 1.172 34.770 -3.189 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.987 35.813 -3.728 1.00 0.00 H new ATOM 0 HB3 MET A 13 3.404 35.263 -2.170 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.756 33.585 -4.674 1.00 0.00 H new ATOM 0 HG3 MET A 13 4.745 33.533 -3.228 1.00 0.00 H new ATOM 0 HE1 MET A 13 1.069 31.223 -4.295 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.993 32.429 -5.222 1.00 0.00 H new ATOM 0 HE3 MET A 13 2.740 30.871 -4.794 1.00 0.00 H new ATOM 219 N THR A 14 1.389 37.165 -1.958 1.00 0.00 N ATOM 220 CA THR A 14 1.034 38.483 -1.432 1.00 0.00 C ATOM 221 C THR A 14 1.754 38.630 -0.104 1.00 0.00 C ATOM 222 O THR A 14 1.957 37.647 0.623 1.00 0.00 O ATOM 223 CB THR A 14 -0.496 38.687 -1.235 1.00 0.00 C ATOM 224 OG1 THR A 14 -0.731 40.033 -0.892 1.00 0.00 O ATOM 225 CG2 THR A 14 -1.168 37.821 -0.154 1.00 0.00 C ATOM 0 H THR A 14 1.483 36.443 -1.243 1.00 0.00 H new ATOM 0 HA THR A 14 1.334 39.241 -2.155 1.00 0.00 H new ATOM 0 HB THR A 14 -0.937 38.383 -2.185 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.692 40.176 -0.767 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.232 38.053 -0.111 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.036 36.767 -0.398 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.712 38.029 0.814 1.00 0.00 H new ATOM 233 N PHE A 15 2.112 39.851 0.269 1.00 0.00 N ATOM 234 CA PHE A 15 3.119 40.053 1.295 1.00 0.00 C ATOM 235 C PHE A 15 2.248 40.531 2.450 1.00 0.00 C ATOM 236 O PHE A 15 1.880 41.709 2.560 1.00 0.00 O ATOM 237 CB PHE A 15 4.155 41.151 0.913 1.00 0.00 C ATOM 238 CG PHE A 15 5.448 41.196 1.740 1.00 0.00 C ATOM 239 CD1 PHE A 15 5.423 41.351 3.135 1.00 0.00 C ATOM 240 CD2 PHE A 15 6.691 41.116 1.088 1.00 0.00 C ATOM 241 CE1 PHE A 15 6.620 41.445 3.868 1.00 0.00 C ATOM 242 CE2 PHE A 15 7.889 41.180 1.820 1.00 0.00 C ATOM 243 CZ PHE A 15 7.853 41.364 3.216 1.00 0.00 C ATOM 0 H PHE A 15 1.722 40.709 -0.121 1.00 0.00 H new ATOM 0 HA PHE A 15 3.723 39.167 1.490 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.425 41.014 -0.134 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.666 42.122 0.992 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.475 41.399 3.651 1.00 0.00 H new ATOM 0 HD2 PHE A 15 6.726 41.004 0.014 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.586 41.580 4.939 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.838 41.088 1.312 1.00 0.00 H new ATOM 0 HZ PHE A 15 8.772 41.442 3.778 1.00 0.00 H new ATOM 253 N ASP A 16 2.104 39.632 3.419 1.00 0.00 N ATOM 254 CA ASP A 16 1.012 39.738 4.391 1.00 0.00 C ATOM 255 C ASP A 16 1.655 40.416 5.609 1.00 0.00 C ATOM 256 O ASP A 16 2.888 40.547 5.713 1.00 0.00 O ATOM 257 CB ASP A 16 0.553 38.304 4.828 1.00 0.00 C ATOM 258 CG ASP A 16 -0.972 38.211 4.898 1.00 0.00 C ATOM 259 OD1 ASP A 16 -1.512 38.915 5.767 1.00 0.00 O ATOM 260 OD2 ASP A 16 -1.526 37.466 4.065 1.00 0.00 O ATOM 0 H ASP A 16 2.719 38.830 3.555 1.00 0.00 H new ATOM 0 HA ASP A 16 0.154 40.275 3.988 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.933 37.566 4.122 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.980 38.063 5.801 1.00 0.00 H new ATOM 265 N ALA A 17 0.867 40.719 6.624 1.00 0.00 N ATOM 266 CA ALA A 17 1.324 41.657 7.647 1.00 0.00 C ATOM 267 C ALA A 17 1.804 40.721 8.772 1.00 0.00 C ATOM 268 O ALA A 17 1.552 39.512 8.815 1.00 0.00 O ATOM 269 CB ALA A 17 0.109 42.451 8.199 1.00 0.00 C ATOM 0 H ALA A 17 -0.071 40.343 6.766 1.00 0.00 H new ATOM 0 HA ALA A 17 2.071 42.361 7.279 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.448 43.151 8.962 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.365 43.002 7.387 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.610 41.758 8.636 1.00 0.00 H new ATOM 275 N ASN A 18 2.597 41.280 9.694 1.00 0.00 N ATOM 276 CA ASN A 18 3.302 40.464 10.675 1.00 0.00 C ATOM 277 C ASN A 18 2.329 40.218 11.845 1.00 0.00 C ATOM 278 O ASN A 18 2.226 39.045 12.229 1.00 0.00 O ATOM 279 CB ASN A 18 4.566 41.217 11.179 1.00 0.00 C ATOM 280 CG ASN A 18 5.838 40.404 11.040 1.00 0.00 C ATOM 281 OD1 ASN A 18 6.590 40.231 11.971 1.00 0.00 O ATOM 282 ND2 ASN A 18 6.081 39.859 9.867 1.00 0.00 N ATOM 0 H ASN A 18 2.762 42.283 9.777 1.00 0.00 H new ATOM 0 HA ASN A 18 3.625 39.519 10.237 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.674 42.147 10.621 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.427 41.487 12.226 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.912 39.283 9.735 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.438 40.013 9.090 1.00 0.00 H new ATOM 289 N PRO A 19 1.514 41.185 12.325 1.00 0.00 N ATOM 290 CA PRO A 19 0.433 40.932 13.278 1.00 0.00 C ATOM 291 C PRO A 19 -0.826 40.374 12.599 1.00 0.00 C ATOM 292 O PRO A 19 -1.735 41.109 12.235 1.00 0.00 O ATOM 293 CB PRO A 19 0.188 42.279 13.960 1.00 0.00 C ATOM 294 CG PRO A 19 0.507 43.296 12.864 1.00 0.00 C ATOM 295 CD PRO A 19 1.641 42.625 12.100 1.00 0.00 C ATOM 0 HA PRO A 19 0.702 40.162 14.001 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.841 42.372 14.307 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.831 42.411 14.830 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.355 43.485 12.224 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.812 44.256 13.280 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.579 42.856 11.037 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.608 42.986 12.449 1.00 0.00 H new ATOM 303 N TYR A 20 -0.738 39.116 12.170 1.00 0.00 N ATOM 304 CA TYR A 20 -1.877 38.305 11.772 1.00 0.00 C ATOM 305 C TYR A 20 -1.900 36.993 12.588 1.00 0.00 C ATOM 306 O TYR A 20 -2.880 36.620 13.223 1.00 0.00 O ATOM 307 CB TYR A 20 -1.876 38.253 10.238 1.00 0.00 C ATOM 308 CG TYR A 20 -3.214 37.952 9.601 1.00 0.00 C ATOM 309 CD1 TYR A 20 -4.208 38.947 9.550 1.00 0.00 C ATOM 310 CD2 TYR A 20 -3.448 36.690 9.023 1.00 0.00 C ATOM 311 CE1 TYR A 20 -5.448 38.669 8.940 1.00 0.00 C ATOM 312 CE2 TYR A 20 -4.678 36.412 8.404 1.00 0.00 C ATOM 313 CZ TYR A 20 -5.683 37.406 8.362 1.00 0.00 C ATOM 314 OH TYR A 20 -6.884 37.148 7.765 1.00 0.00 O ATOM 0 H TYR A 20 0.152 38.624 12.089 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.854 38.718 12.023 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.519 39.210 9.859 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.161 37.496 9.917 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.021 39.921 9.977 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.679 35.933 9.056 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.219 39.425 8.916 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.855 35.443 7.962 1.00 0.00 H new ATOM 0 HH TYR A 20 -6.885 36.233 7.415 1.00 0.00 H new ATOM 324 N ASP A 21 -0.963 36.168 12.169 1.00 0.00 N ATOM 325 CA ASP A 21 -0.673 34.768 12.449 1.00 0.00 C ATOM 326 C ASP A 21 0.770 34.302 12.660 1.00 0.00 C ATOM 327 O ASP A 21 1.387 34.145 11.599 1.00 0.00 O ATOM 328 CB ASP A 21 -1.513 33.825 11.644 1.00 0.00 C ATOM 329 CG ASP A 21 -2.894 33.532 12.258 1.00 0.00 C ATOM 330 OD1 ASP A 21 -2.900 33.072 13.418 1.00 0.00 O ATOM 331 OD2 ASP A 21 -3.863 33.615 11.473 1.00 0.00 O ATOM 0 H ASP A 21 -0.269 36.525 11.512 1.00 0.00 H new ATOM 0 HA ASP A 21 -0.994 34.721 13.490 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.652 34.241 10.646 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.973 32.885 11.526 1.00 0.00 H new ATOM 336 N SER A 22 1.483 34.444 13.767 1.00 0.00 N ATOM 337 CA SER A 22 2.914 34.031 13.809 1.00 0.00 C ATOM 338 C SER A 22 3.107 32.518 14.090 1.00 0.00 C ATOM 339 O SER A 22 3.896 31.867 13.397 1.00 0.00 O ATOM 340 CB SER A 22 3.612 34.854 14.883 1.00 0.00 C ATOM 341 OG SER A 22 5.006 34.725 14.739 1.00 0.00 O ATOM 0 H SER A 22 1.123 34.831 14.639 1.00 0.00 H new ATOM 0 HA SER A 22 3.347 34.212 12.825 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.322 35.901 14.800 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.305 34.516 15.873 1.00 0.00 H new ATOM 0 HG SER A 22 5.457 35.256 15.429 1.00 0.00 H new ATOM 347 N VAL A 23 2.253 31.904 14.907 1.00 0.00 N ATOM 348 CA VAL A 23 2.310 30.466 15.262 1.00 0.00 C ATOM 349 C VAL A 23 1.644 29.645 14.150 1.00 0.00 C ATOM 350 O VAL A 23 2.134 28.577 13.789 1.00 0.00 O ATOM 351 CB VAL A 23 1.686 30.165 16.641 1.00 0.00 C ATOM 352 CG1 VAL A 23 1.598 28.664 16.927 1.00 0.00 C ATOM 353 CG2 VAL A 23 2.516 30.820 17.749 1.00 0.00 C ATOM 0 H VAL A 23 1.480 32.394 15.357 1.00 0.00 H new ATOM 0 HA VAL A 23 3.358 30.179 15.346 1.00 0.00 H new ATOM 0 HB VAL A 23 0.675 30.572 16.622 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.152 28.506 17.909 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.981 28.184 16.167 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.598 28.231 16.909 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.067 30.601 18.718 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.532 30.427 17.723 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.541 31.899 17.596 1.00 0.00 H new ATOM 363 N LEU A 24 0.648 30.206 13.456 1.00 0.00 N ATOM 364 CA LEU A 24 -0.051 29.514 12.355 1.00 0.00 C ATOM 365 C LEU A 24 0.904 29.319 11.173 1.00 0.00 C ATOM 366 O LEU A 24 0.713 28.393 10.396 1.00 0.00 O ATOM 367 CB LEU A 24 -1.308 30.281 11.913 1.00 0.00 C ATOM 368 CG LEU A 24 -2.499 29.376 11.599 1.00 0.00 C ATOM 369 CD1 LEU A 24 -3.307 29.092 12.868 1.00 0.00 C ATOM 370 CD2 LEU A 24 -3.416 30.008 10.551 1.00 0.00 C ATOM 0 H LEU A 24 0.301 31.148 13.636 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.375 28.539 12.719 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.592 30.981 12.699 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.070 30.874 11.030 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.102 28.442 11.201 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.151 28.446 12.625 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.671 28.597 13.601 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.676 30.030 13.282 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.253 29.340 10.350 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.793 30.960 10.924 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.856 30.175 9.631 1.00 0.00 H new ATOM 382 N LYS A 25 1.955 30.142 11.005 1.00 0.00 N ATOM 383 CA LYS A 25 2.914 30.066 9.886 1.00 0.00 C ATOM 384 C LYS A 25 3.848 28.867 10.038 1.00 0.00 C ATOM 385 O LYS A 25 4.023 28.105 9.086 1.00 0.00 O ATOM 386 CB LYS A 25 3.718 31.372 9.786 1.00 0.00 C ATOM 387 CG LYS A 25 3.486 32.129 8.460 1.00 0.00 C ATOM 388 CD LYS A 25 2.781 33.477 8.616 1.00 0.00 C ATOM 389 CE LYS A 25 3.630 34.471 9.413 1.00 0.00 C ATOM 390 NZ LYS A 25 2.958 35.780 9.539 1.00 0.00 N ATOM 0 H LYS A 25 2.167 30.896 11.658 1.00 0.00 H new ATOM 0 HA LYS A 25 2.350 29.931 8.963 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.449 32.021 10.619 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.780 31.146 9.887 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.449 32.290 7.975 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.896 31.499 7.795 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.565 33.891 7.631 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.824 33.331 9.118 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.829 34.067 10.405 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.595 34.602 8.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.649 36.498 9.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.550 36.050 8.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.201 35.715 10.249 1.00 0.00 H new ATOM 404 N ILE A 26 4.406 28.652 11.227 1.00 0.00 N ATOM 405 CA ILE A 26 5.307 27.528 11.550 1.00 0.00 C ATOM 406 C ILE A 26 4.451 26.261 11.667 1.00 0.00 C ATOM 407 O ILE A 26 4.858 25.203 11.182 1.00 0.00 O ATOM 408 CB ILE A 26 6.159 27.790 12.818 1.00 0.00 C ATOM 409 CG1 ILE A 26 6.992 26.543 13.174 1.00 0.00 C ATOM 410 CG2 ILE A 26 5.325 28.278 14.016 1.00 0.00 C ATOM 411 CD1 ILE A 26 7.960 26.730 14.347 1.00 0.00 C ATOM 0 H ILE A 26 4.244 29.269 12.023 1.00 0.00 H new ATOM 0 HA ILE A 26 6.039 27.405 10.751 1.00 0.00 H new ATOM 0 HB ILE A 26 6.840 28.607 12.582 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.312 25.724 13.409 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.562 26.241 12.295 1.00 0.00 H new ATOM 0 HG21 ILE A 26 5.980 28.443 14.872 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.826 29.211 13.756 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.578 27.526 14.270 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.502 25.801 14.523 1.00 0.00 H new ATOM 0 HD12 ILE A 26 8.669 27.524 14.111 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.399 26.999 15.242 1.00 0.00 H new ATOM 423 N LYS A 27 3.226 26.345 12.200 1.00 0.00 N ATOM 424 CA LYS A 27 2.350 25.194 12.429 1.00 0.00 C ATOM 425 C LYS A 27 1.748 24.711 11.109 1.00 0.00 C ATOM 426 O LYS A 27 1.661 23.492 10.912 1.00 0.00 O ATOM 427 CB LYS A 27 1.269 25.539 13.458 1.00 0.00 C ATOM 428 CG LYS A 27 0.525 24.324 14.035 1.00 0.00 C ATOM 429 CD LYS A 27 1.420 23.416 14.894 1.00 0.00 C ATOM 430 CE LYS A 27 2.037 22.252 14.107 1.00 0.00 C ATOM 431 NZ LYS A 27 3.222 21.716 14.822 1.00 0.00 N ATOM 0 H LYS A 27 2.810 27.231 12.488 1.00 0.00 H new ATOM 0 HA LYS A 27 2.941 24.375 12.839 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.729 26.090 14.278 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.543 26.206 12.993 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.313 24.673 14.638 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.106 23.740 13.215 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.220 24.014 15.331 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.833 23.016 15.721 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.297 21.463 13.973 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.327 22.590 13.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.629 20.929 14.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.933 22.468 14.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.936 21.375 15.762 1.00 0.00 H new ATOM 445 N GLU A 28 1.521 25.599 10.138 1.00 0.00 N ATOM 446 CA GLU A 28 1.038 25.260 8.788 1.00 0.00 C ATOM 447 C GLU A 28 2.154 24.579 7.993 1.00 0.00 C ATOM 448 O GLU A 28 1.866 23.823 7.085 1.00 0.00 O ATOM 449 CB GLU A 28 0.591 26.498 8.004 1.00 0.00 C ATOM 450 CG GLU A 28 -0.884 26.863 8.219 1.00 0.00 C ATOM 451 CD GLU A 28 -1.776 25.887 7.440 1.00 0.00 C ATOM 452 OE1 GLU A 28 -1.796 26.028 6.190 1.00 0.00 O ATOM 453 OE2 GLU A 28 -2.362 24.994 8.094 1.00 0.00 O ATOM 0 H GLU A 28 1.670 26.600 10.267 1.00 0.00 H new ATOM 0 HA GLU A 28 0.182 24.597 8.917 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.212 27.345 8.294 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.763 26.326 6.941 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.127 26.825 9.281 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.068 27.884 7.886 1.00 0.00 H new ATOM 460 N HIS A 29 3.431 24.775 8.342 1.00 0.00 N ATOM 461 CA HIS A 29 4.561 24.163 7.630 1.00 0.00 C ATOM 462 C HIS A 29 4.723 22.696 8.061 1.00 0.00 C ATOM 463 O HIS A 29 5.355 21.930 7.356 1.00 0.00 O ATOM 464 CB HIS A 29 5.862 24.965 7.816 1.00 0.00 C ATOM 465 CG HIS A 29 6.960 24.588 6.848 1.00 0.00 C ATOM 466 ND1 HIS A 29 6.789 24.015 5.570 1.00 0.00 N ATOM 467 CD2 HIS A 29 8.295 24.779 7.060 1.00 0.00 C ATOM 468 CE1 HIS A 29 8.024 23.790 5.104 1.00 0.00 C ATOM 469 NE2 HIS A 29 8.944 24.274 5.952 1.00 0.00 N ATOM 0 H HIS A 29 3.711 25.363 9.127 1.00 0.00 H new ATOM 0 HA HIS A 29 4.343 24.183 6.562 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.642 26.027 7.704 1.00 0.00 H new ATOM 0 HB3 HIS A 29 6.224 24.820 8.834 1.00 0.00 H new ATOM 0 HD2 HIS A 29 8.753 25.236 7.925 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.248 23.288 4.174 1.00 0.00 H new ATOM 0 HE2 HIS A 29 9.953 24.269 5.803 1.00 0.00 H new ATOM 477 N VAL A 30 4.166 22.302 9.201 1.00 0.00 N ATOM 478 CA VAL A 30 4.199 20.938 9.758 1.00 0.00 C ATOM 479 C VAL A 30 2.846 20.236 9.551 1.00 0.00 C ATOM 480 O VAL A 30 2.816 19.008 9.406 1.00 0.00 O ATOM 481 CB VAL A 30 4.675 20.935 11.218 1.00 0.00 C ATOM 482 CG1 VAL A 30 4.975 19.500 11.688 1.00 0.00 C ATOM 483 CG2 VAL A 30 5.955 21.755 11.404 1.00 0.00 C ATOM 0 H VAL A 30 3.652 22.951 9.797 1.00 0.00 H new ATOM 0 HA VAL A 30 4.939 20.354 9.210 1.00 0.00 H new ATOM 0 HB VAL A 30 3.869 21.376 11.804 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.311 19.519 12.725 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.071 18.895 11.611 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.756 19.068 11.062 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.257 21.726 12.451 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.749 21.336 10.786 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.772 22.788 11.108 1.00 0.00 H new ATOM 493 N ARG A 31 1.743 20.970 9.407 1.00 0.00 N ATOM 494 CA ARG A 31 0.385 20.403 9.413 1.00 0.00 C ATOM 495 C ARG A 31 0.088 20.091 7.945 1.00 0.00 C ATOM 496 O ARG A 31 -0.146 20.946 7.103 1.00 0.00 O ATOM 497 CB ARG A 31 -0.604 21.484 9.916 1.00 0.00 C ATOM 498 CG ARG A 31 -2.044 20.950 10.100 1.00 0.00 C ATOM 499 CD ARG A 31 -3.106 21.887 9.512 1.00 0.00 C ATOM 500 NE ARG A 31 -4.413 21.684 10.183 1.00 0.00 N ATOM 501 CZ ARG A 31 -4.814 22.296 11.288 1.00 0.00 C ATOM 502 NH1 ARG A 31 -4.071 23.172 11.905 1.00 0.00 N ATOM 503 NH2 ARG A 31 -5.979 22.002 11.804 1.00 0.00 N ATOM 0 H ARG A 31 1.761 21.982 9.282 1.00 0.00 H new ATOM 0 HA ARG A 31 0.295 19.524 10.052 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.246 21.882 10.866 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.618 22.313 9.208 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.127 19.972 9.626 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.240 20.807 11.163 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.789 22.923 9.629 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.208 21.703 8.442 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.058 21.017 9.758 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.148 23.406 11.539 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.413 23.623 12.754 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.574 21.305 11.356 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.293 22.470 12.654 1.00 0.00 H new ATOM 517 N SER A 32 0.248 18.802 7.650 1.00 0.00 N ATOM 518 CA SER A 32 0.222 18.194 6.309 1.00 0.00 C ATOM 519 C SER A 32 1.268 18.728 5.312 1.00 0.00 C ATOM 520 O SER A 32 1.205 18.415 4.137 1.00 0.00 O ATOM 521 CB SER A 32 -1.220 18.229 5.766 1.00 0.00 C ATOM 522 OG SER A 32 -1.442 17.164 4.883 1.00 0.00 O ATOM 0 H SER A 32 0.409 18.108 8.380 1.00 0.00 H new ATOM 0 HA SER A 32 0.539 17.158 6.427 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.927 18.175 6.594 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.399 19.175 5.255 1.00 0.00 H new ATOM 0 HG SER A 32 -0.678 17.078 4.276 1.00 0.00 H new ATOM 528 N LYS A 33 2.285 19.495 5.751 1.00 0.00 N ATOM 529 CA LYS A 33 3.278 20.194 4.905 1.00 0.00 C ATOM 530 C LYS A 33 4.706 19.658 5.054 1.00 0.00 C ATOM 531 O LYS A 33 5.452 19.733 4.087 1.00 0.00 O ATOM 532 CB LYS A 33 3.208 21.698 5.102 1.00 0.00 C ATOM 533 CG LYS A 33 2.266 22.408 4.114 1.00 0.00 C ATOM 534 CD LYS A 33 2.912 22.630 2.734 1.00 0.00 C ATOM 535 CE LYS A 33 4.022 23.689 2.807 1.00 0.00 C ATOM 536 NZ LYS A 33 5.247 23.259 2.094 1.00 0.00 N ATOM 0 H LYS A 33 2.446 19.652 6.746 1.00 0.00 H new ATOM 0 HA LYS A 33 3.001 19.976 3.874 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.878 21.907 6.119 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.209 22.116 5.000 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.358 21.817 3.995 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.968 23.370 4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.325 21.690 2.367 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.151 22.945 2.019 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.661 24.623 2.376 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.262 23.891 3.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.972 22.981 2.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.025 22.449 1.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.605 24.045 1.514 1.00 0.00 H new ATOM 550 N THR A 34 5.071 19.169 6.234 1.00 0.00 N ATOM 551 CA THR A 34 6.346 18.476 6.490 1.00 0.00 C ATOM 552 C THR A 34 6.175 17.000 6.120 1.00 0.00 C ATOM 553 O THR A 34 7.129 16.376 5.687 1.00 0.00 O ATOM 554 CB THR A 34 6.839 18.644 7.935 1.00 0.00 C ATOM 555 OG1 THR A 34 7.284 19.961 8.146 1.00 0.00 O ATOM 556 CG2 THR A 34 8.033 17.766 8.302 1.00 0.00 C ATOM 0 H THR A 34 4.481 19.241 7.063 1.00 0.00 H new ATOM 0 HA THR A 34 7.120 18.929 5.870 1.00 0.00 H new ATOM 0 HB THR A 34 5.979 18.365 8.544 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.597 20.591 7.844 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.314 17.949 9.339 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.765 16.717 8.179 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.874 18.004 7.651 1.00 0.00 H new ATOM 564 N LYS A 35 4.941 16.464 6.215 1.00 0.00 N ATOM 565 CA LYS A 35 4.634 15.062 5.910 1.00 0.00 C ATOM 566 C LYS A 35 4.547 14.888 4.387 1.00 0.00 C ATOM 567 O LYS A 35 5.162 13.966 3.877 1.00 0.00 O ATOM 568 CB LYS A 35 3.258 14.680 6.481 1.00 0.00 C ATOM 569 CG LYS A 35 3.333 14.275 7.958 1.00 0.00 C ATOM 570 CD LYS A 35 1.931 13.884 8.458 1.00 0.00 C ATOM 571 CE LYS A 35 1.863 13.844 9.986 1.00 0.00 C ATOM 572 NZ LYS A 35 2.492 12.626 10.551 1.00 0.00 N ATOM 0 H LYS A 35 4.126 17.002 6.509 1.00 0.00 H new ATOM 0 HA LYS A 35 5.415 14.437 6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.575 15.523 6.372 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.843 13.856 5.901 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.021 13.438 8.082 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.725 15.100 8.552 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.198 14.597 8.080 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.661 12.907 8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.358 14.726 10.392 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.821 13.890 10.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.420 12.647 11.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.004 11.783 10.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.494 12.593 10.275 1.00 0.00 H new ATOM 586 N VAL A 36 3.965 15.841 3.647 1.00 0.00 N ATOM 587 CA VAL A 36 3.823 15.683 2.202 1.00 0.00 C ATOM 588 C VAL A 36 5.024 16.402 1.559 1.00 0.00 C ATOM 589 O VAL A 36 5.382 17.502 1.989 1.00 0.00 O ATOM 590 CB VAL A 36 2.474 16.269 1.709 1.00 0.00 C ATOM 591 CG1 VAL A 36 2.478 17.796 1.469 1.00 0.00 C ATOM 592 CG2 VAL A 36 2.015 15.598 0.412 1.00 0.00 C ATOM 0 H VAL A 36 3.592 16.714 4.021 1.00 0.00 H new ATOM 0 HA VAL A 36 3.815 14.630 1.921 1.00 0.00 H new ATOM 0 HB VAL A 36 1.788 16.063 2.530 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.493 18.113 1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.722 18.310 2.399 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.222 18.043 0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.067 16.032 0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.764 15.755 -0.364 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.886 14.529 0.581 1.00 0.00 H new ATOM 602 N PRO A 37 5.699 15.795 0.560 1.00 0.00 N ATOM 603 CA PRO A 37 6.777 16.473 -0.172 1.00 0.00 C ATOM 604 C PRO A 37 6.251 17.669 -0.972 1.00 0.00 C ATOM 605 O PRO A 37 6.946 18.673 -1.126 1.00 0.00 O ATOM 606 CB PRO A 37 7.388 15.401 -1.077 1.00 0.00 C ATOM 607 CG PRO A 37 6.243 14.415 -1.289 1.00 0.00 C ATOM 608 CD PRO A 37 5.493 14.451 0.041 1.00 0.00 C ATOM 0 HA PRO A 37 7.522 16.892 0.504 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.734 15.823 -2.021 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.248 14.922 -0.608 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.603 14.715 -2.119 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.611 13.414 -1.516 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.433 14.242 -0.099 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.878 13.700 0.730 1.00 0.00 H new ATOM 616 N VAL A 38 4.972 17.634 -1.347 1.00 0.00 N ATOM 617 CA VAL A 38 4.284 18.617 -2.183 1.00 0.00 C ATOM 618 C VAL A 38 2.807 18.219 -2.288 1.00 0.00 C ATOM 619 O VAL A 38 2.478 17.065 -2.498 1.00 0.00 O ATOM 620 CB VAL A 38 4.896 18.699 -3.608 1.00 0.00 C ATOM 621 CG1 VAL A 38 4.856 17.397 -4.417 1.00 0.00 C ATOM 622 CG2 VAL A 38 4.251 19.852 -4.396 1.00 0.00 C ATOM 0 H VAL A 38 4.354 16.876 -1.059 1.00 0.00 H new ATOM 0 HA VAL A 38 4.394 19.598 -1.721 1.00 0.00 H new ATOM 0 HB VAL A 38 5.958 18.892 -3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.307 17.562 -5.395 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.411 16.622 -3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.821 17.079 -4.544 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.688 19.900 -5.394 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.178 19.681 -4.478 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.430 20.793 -3.876 1.00 0.00 H new ATOM 632 N GLN A 39 1.937 19.211 -2.072 1.00 0.00 N ATOM 633 CA GLN A 39 0.483 19.019 -1.970 1.00 0.00 C ATOM 634 C GLN A 39 -0.173 19.454 -3.279 1.00 0.00 C ATOM 635 O GLN A 39 -1.061 18.760 -3.730 1.00 0.00 O ATOM 636 CB GLN A 39 -0.098 19.813 -0.770 1.00 0.00 C ATOM 637 CG GLN A 39 -1.541 19.405 -0.424 1.00 0.00 C ATOM 638 CD GLN A 39 -1.821 19.511 1.066 1.00 0.00 C ATOM 639 OE1 GLN A 39 -2.018 18.537 1.790 1.00 0.00 O ATOM 640 NE2 GLN A 39 -1.834 20.707 1.628 1.00 0.00 N ATOM 0 H GLN A 39 2.225 20.183 -1.961 1.00 0.00 H new ATOM 0 HA GLN A 39 0.272 17.964 -1.796 1.00 0.00 H new ATOM 0 HB2 GLN A 39 0.537 19.659 0.103 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.072 20.878 -0.999 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.238 20.041 -0.970 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.717 18.381 -0.754 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.675 21.539 1.060 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.003 20.798 2.630 1.00 0.00 H new ATOM 649 N ASP A 40 0.271 20.590 -3.835 1.00 0.00 N ATOM 650 CA ASP A 40 0.021 20.999 -5.231 1.00 0.00 C ATOM 651 C ASP A 40 1.051 22.058 -5.655 1.00 0.00 C ATOM 652 O ASP A 40 1.675 22.021 -6.712 1.00 0.00 O ATOM 653 CB ASP A 40 -1.392 21.623 -5.326 1.00 0.00 C ATOM 654 CG ASP A 40 -2.255 20.935 -6.376 1.00 0.00 C ATOM 655 OD1 ASP A 40 -1.972 21.203 -7.565 1.00 0.00 O ATOM 656 OD2 ASP A 40 -3.295 20.367 -5.980 1.00 0.00 O ATOM 0 H ASP A 40 0.828 21.269 -3.316 1.00 0.00 H new ATOM 0 HA ASP A 40 0.100 20.128 -5.881 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.883 21.557 -4.355 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.304 22.682 -5.567 1.00 0.00 H new ATOM 661 N GLN A 41 1.395 22.965 -4.729 1.00 0.00 N ATOM 662 CA GLN A 41 2.181 24.154 -4.993 1.00 0.00 C ATOM 663 C GLN A 41 2.960 24.473 -3.707 1.00 0.00 C ATOM 664 O GLN A 41 2.389 24.832 -2.678 1.00 0.00 O ATOM 665 CB GLN A 41 1.243 25.319 -5.407 1.00 0.00 C ATOM 666 CG GLN A 41 1.961 26.459 -6.187 1.00 0.00 C ATOM 667 CD GLN A 41 1.371 27.859 -5.973 1.00 0.00 C ATOM 668 OE1 GLN A 41 0.909 28.219 -4.898 1.00 0.00 O ATOM 669 NE2 GLN A 41 1.428 28.716 -6.979 1.00 0.00 N ATOM 0 H GLN A 41 1.120 22.878 -3.751 1.00 0.00 H new ATOM 0 HA GLN A 41 2.881 24.003 -5.815 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.437 24.922 -6.024 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.783 25.738 -4.512 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.011 26.474 -5.894 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.930 26.226 -7.251 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.812 28.423 -7.877 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.088 29.670 -6.856 1.00 0.00 H new ATOM 678 N VAL A 42 4.289 24.411 -3.792 1.00 0.00 N ATOM 679 CA VAL A 42 5.167 24.626 -2.624 1.00 0.00 C ATOM 680 C VAL A 42 6.208 25.645 -3.048 1.00 0.00 C ATOM 681 O VAL A 42 6.733 25.657 -4.159 1.00 0.00 O ATOM 682 CB VAL A 42 5.881 23.331 -2.096 1.00 0.00 C ATOM 683 CG1 VAL A 42 4.891 22.406 -1.376 1.00 0.00 C ATOM 684 CG2 VAL A 42 6.693 22.528 -3.122 1.00 0.00 C ATOM 0 H VAL A 42 4.790 24.213 -4.658 1.00 0.00 H new ATOM 0 HA VAL A 42 4.548 24.964 -1.793 1.00 0.00 H new ATOM 0 HB VAL A 42 6.623 23.722 -1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.414 21.518 -1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.453 22.932 -0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.101 22.110 -2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.136 21.659 -2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.037 22.198 -3.927 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.483 23.156 -3.533 1.00 0.00 H new ATOM 694 N LEU A 43 6.682 26.394 -2.069 1.00 0.00 N ATOM 695 CA LEU A 43 7.531 27.555 -2.350 1.00 0.00 C ATOM 696 C LEU A 43 8.910 27.081 -1.902 1.00 0.00 C ATOM 697 O LEU A 43 9.068 26.145 -1.106 1.00 0.00 O ATOM 698 CB LEU A 43 7.097 28.772 -1.460 1.00 0.00 C ATOM 699 CG LEU A 43 6.958 30.098 -2.235 1.00 0.00 C ATOM 700 CD1 LEU A 43 5.692 30.834 -1.817 1.00 0.00 C ATOM 701 CD2 LEU A 43 8.164 31.017 -2.021 1.00 0.00 C ATOM 0 H LEU A 43 6.500 26.228 -1.079 1.00 0.00 H new ATOM 0 HA LEU A 43 7.484 27.878 -3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.144 28.540 -0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.828 28.904 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 43 6.904 29.840 -3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.612 31.767 -2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.823 30.211 -2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.733 31.052 -0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.024 31.939 -2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.259 31.251 -0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.069 30.516 -2.365 1.00 0.00 H new ATOM 713 N LEU A 44 9.946 27.810 -2.294 1.00 0.00 N ATOM 714 CA LEU A 44 11.328 27.392 -2.105 1.00 0.00 C ATOM 715 C LEU A 44 12.096 28.700 -1.936 1.00 0.00 C ATOM 716 O LEU A 44 11.847 29.709 -2.574 1.00 0.00 O ATOM 717 CB LEU A 44 11.980 26.619 -3.310 1.00 0.00 C ATOM 718 CG LEU A 44 11.684 25.103 -3.408 1.00 0.00 C ATOM 719 CD1 LEU A 44 10.371 24.775 -4.123 1.00 0.00 C ATOM 720 CD2 LEU A 44 12.790 24.372 -4.185 1.00 0.00 C ATOM 0 H LEU A 44 9.850 28.715 -2.755 1.00 0.00 H new ATOM 0 HA LEU A 44 11.362 26.695 -1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.649 27.090 -4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 44 13.060 26.751 -3.254 1.00 0.00 H new ATOM 0 HG LEU A 44 11.623 24.773 -2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.233 23.694 -4.152 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.540 25.233 -3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.404 25.164 -5.141 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.556 23.309 -4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.856 24.780 -5.194 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.744 24.508 -3.675 1.00 0.00 H new ATOM 732 N LEU A 45 13.044 28.682 -1.000 1.00 0.00 N ATOM 733 CA LEU A 45 13.846 29.856 -0.662 1.00 0.00 C ATOM 734 C LEU A 45 14.984 29.453 0.275 1.00 0.00 C ATOM 735 O LEU A 45 14.755 29.098 1.435 1.00 0.00 O ATOM 736 CB LEU A 45 13.005 30.956 0.050 1.00 0.00 C ATOM 737 CG LEU A 45 13.805 32.276 0.182 1.00 0.00 C ATOM 738 CD1 LEU A 45 13.209 33.353 -0.736 1.00 0.00 C ATOM 739 CD2 LEU A 45 13.797 32.790 1.628 1.00 0.00 C ATOM 0 H LEU A 45 13.277 27.852 -0.455 1.00 0.00 H new ATOM 0 HA LEU A 45 14.230 30.259 -1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.089 31.138 -0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 45 12.708 30.607 1.039 1.00 0.00 H new ATOM 0 HG LEU A 45 14.834 32.068 -0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 45 13.781 34.275 -0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 45 13.251 33.013 -1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.172 33.536 -0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 45 14.367 33.717 1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.770 32.974 1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 45 14.249 32.044 2.282 1.00 0.00 H new ATOM 751 N GLY A 46 16.205 29.519 -0.244 1.00 0.00 N ATOM 752 CA GLY A 46 17.423 29.194 0.499 1.00 0.00 C ATOM 753 C GLY A 46 17.620 27.693 0.691 1.00 0.00 C ATOM 754 O GLY A 46 17.867 27.252 1.816 1.00 0.00 O ATOM 0 H GLY A 46 16.382 29.804 -1.207 1.00 0.00 H new ATOM 0 HA2 GLY A 46 18.284 29.604 -0.029 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.387 29.678 1.475 1.00 0.00 H new ATOM 758 N SER A 47 17.483 26.916 -0.380 1.00 0.00 N ATOM 759 CA SER A 47 17.612 25.449 -0.401 1.00 0.00 C ATOM 760 C SER A 47 16.647 24.660 0.504 1.00 0.00 C ATOM 761 O SER A 47 16.789 23.458 0.671 1.00 0.00 O ATOM 762 CB SER A 47 19.064 25.003 -0.189 1.00 0.00 C ATOM 763 OG SER A 47 19.934 25.757 -1.011 1.00 0.00 O ATOM 0 H SER A 47 17.270 27.301 -1.300 1.00 0.00 H new ATOM 0 HA SER A 47 17.295 25.186 -1.410 1.00 0.00 H new ATOM 0 HB2 SER A 47 19.341 25.129 0.858 1.00 0.00 H new ATOM 0 HB3 SER A 47 19.163 23.942 -0.419 1.00 0.00 H new ATOM 0 HG SER A 47 20.858 25.464 -0.865 1.00 0.00 H new ATOM 769 N LYS A 48 15.589 25.309 1.002 1.00 0.00 N ATOM 770 CA LYS A 48 14.563 24.699 1.858 1.00 0.00 C ATOM 771 C LYS A 48 13.186 25.027 1.276 1.00 0.00 C ATOM 772 O LYS A 48 13.027 25.962 0.500 1.00 0.00 O ATOM 773 CB LYS A 48 14.674 25.236 3.322 1.00 0.00 C ATOM 774 CG LYS A 48 14.517 26.760 3.453 1.00 0.00 C ATOM 775 CD LYS A 48 14.460 27.242 4.916 1.00 0.00 C ATOM 776 CE LYS A 48 14.211 28.756 4.901 1.00 0.00 C ATOM 777 NZ LYS A 48 14.146 29.311 6.285 1.00 0.00 N ATOM 0 H LYS A 48 15.417 26.297 0.817 1.00 0.00 H new ATOM 0 HA LYS A 48 14.707 23.619 1.887 1.00 0.00 H new ATOM 0 HB2 LYS A 48 13.913 24.751 3.933 1.00 0.00 H new ATOM 0 HB3 LYS A 48 15.642 24.946 3.730 1.00 0.00 H new ATOM 0 HG2 LYS A 48 15.350 27.249 2.949 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.607 27.070 2.939 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.664 26.729 5.457 1.00 0.00 H new ATOM 0 HD3 LYS A 48 15.393 27.013 5.430 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.007 29.252 4.346 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.278 28.968 4.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.977 30.336 6.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.370 28.854 6.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.046 29.130 6.774 1.00 0.00 H new ATOM 791 N ILE A 49 12.167 24.384 1.842 1.00 0.00 N ATOM 792 CA ILE A 49 10.797 24.569 1.377 1.00 0.00 C ATOM 793 C ILE A 49 10.263 25.652 2.317 1.00 0.00 C ATOM 794 O ILE A 49 10.463 25.617 3.540 1.00 0.00 O ATOM 795 CB ILE A 49 9.939 23.271 1.533 1.00 0.00 C ATOM 796 CG1 ILE A 49 10.403 22.095 0.637 1.00 0.00 C ATOM 797 CG2 ILE A 49 8.444 23.526 1.294 1.00 0.00 C ATOM 798 CD1 ILE A 49 10.145 22.266 -0.866 1.00 0.00 C ATOM 0 H ILE A 49 12.265 23.733 2.621 1.00 0.00 H new ATOM 0 HA ILE A 49 10.754 24.824 0.318 1.00 0.00 H new ATOM 0 HB ILE A 49 10.095 22.976 2.571 1.00 0.00 H new ATOM 0 HG12 ILE A 49 11.472 21.945 0.789 1.00 0.00 H new ATOM 0 HG13 ILE A 49 9.903 21.187 0.972 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.892 22.594 1.414 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.080 24.258 2.015 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.297 23.907 0.283 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.508 21.387 -1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.075 22.381 -1.041 1.00 0.00 H new ATOM 0 HD13 ILE A 49 10.669 23.151 -1.227 1.00 0.00 H new ATOM 810 N LEU A 50 9.492 26.556 1.735 1.00 0.00 N ATOM 811 CA LEU A 50 8.842 27.651 2.438 1.00 0.00 C ATOM 812 C LEU A 50 7.353 27.283 2.353 1.00 0.00 C ATOM 813 O LEU A 50 6.834 26.834 1.329 1.00 0.00 O ATOM 814 CB LEU A 50 9.099 29.027 1.728 1.00 0.00 C ATOM 815 CG LEU A 50 9.898 30.100 2.494 1.00 0.00 C ATOM 816 CD1 LEU A 50 9.046 30.771 3.575 1.00 0.00 C ATOM 817 CD2 LEU A 50 11.178 29.549 3.134 1.00 0.00 C ATOM 0 H LEU A 50 9.296 26.549 0.734 1.00 0.00 H new ATOM 0 HA LEU A 50 9.211 27.770 3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.621 28.827 0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.131 29.454 1.468 1.00 0.00 H new ATOM 0 HG LEU A 50 10.185 30.838 1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.642 31.521 4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.183 31.249 3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.706 30.020 4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.697 30.351 3.659 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.921 28.760 3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.827 29.144 2.358 1.00 0.00 H new ATOM 829 N LYS A 51 6.651 27.587 3.432 1.00 0.00 N ATOM 830 CA LYS A 51 5.218 27.325 3.563 1.00 0.00 C ATOM 831 C LYS A 51 4.527 28.663 3.308 1.00 0.00 C ATOM 832 O LYS A 51 3.667 28.672 2.417 1.00 0.00 O ATOM 833 CB LYS A 51 4.839 26.769 4.969 1.00 0.00 C ATOM 834 CG LYS A 51 3.400 27.088 5.446 1.00 0.00 C ATOM 835 CD LYS A 51 2.307 26.542 4.507 1.00 0.00 C ATOM 836 CE LYS A 51 1.253 27.611 4.234 1.00 0.00 C ATOM 837 NZ LYS A 51 0.471 27.289 3.018 1.00 0.00 N ATOM 0 H LYS A 51 7.061 28.029 4.255 1.00 0.00 H new ATOM 0 HA LYS A 51 4.906 26.558 2.854 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.969 25.687 4.960 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.542 27.168 5.700 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.255 26.670 6.442 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.286 28.168 5.534 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.755 26.217 3.568 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.838 25.667 4.956 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.583 27.693 5.090 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.736 28.581 4.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.239 28.032 2.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.110 27.234 2.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.008 26.375 3.145 1.00 0.00 H new ATOM 851 N PRO A 52 4.828 29.765 4.006 1.00 0.00 N ATOM 852 CA PRO A 52 4.160 31.034 3.741 1.00 0.00 C ATOM 853 C PRO A 52 4.602 31.649 2.420 1.00 0.00 C ATOM 854 O PRO A 52 5.608 31.281 1.827 1.00 0.00 O ATOM 855 CB PRO A 52 4.518 31.924 4.947 1.00 0.00 C ATOM 856 CG PRO A 52 5.866 31.389 5.422 1.00 0.00 C ATOM 857 CD PRO A 52 5.720 29.890 5.163 1.00 0.00 C ATOM 0 HA PRO A 52 3.082 30.912 3.635 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.585 32.974 4.661 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.764 31.855 5.731 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.696 31.821 4.863 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.043 31.606 6.475 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.689 29.433 4.960 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.304 29.382 6.033 1.00 0.00 H new ATOM 865 N ARG A 53 4.036 32.832 2.148 1.00 0.00 N ATOM 866 CA ARG A 53 4.268 33.589 0.929 1.00 0.00 C ATOM 867 C ARG A 53 5.593 34.341 1.086 1.00 0.00 C ATOM 868 O ARG A 53 6.001 35.007 0.145 1.00 0.00 O ATOM 869 CB ARG A 53 3.090 34.592 0.757 1.00 0.00 C ATOM 870 CG ARG A 53 1.829 33.942 0.156 1.00 0.00 C ATOM 871 CD ARG A 53 0.594 33.926 1.077 1.00 0.00 C ATOM 872 NE ARG A 53 -0.648 33.681 0.307 1.00 0.00 N ATOM 873 CZ ARG A 53 -1.045 32.575 -0.296 1.00 0.00 C ATOM 874 NH1 ARG A 53 -0.370 31.460 -0.217 1.00 0.00 N ATOM 875 NH2 ARG A 53 -2.157 32.562 -0.992 1.00 0.00 N ATOM 0 H ARG A 53 3.391 33.293 2.790 1.00 0.00 H new ATOM 0 HA ARG A 53 4.322 32.942 0.054 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.843 35.023 1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.410 35.413 0.115 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.570 34.470 -0.762 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.067 32.916 -0.123 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.713 33.152 1.835 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.517 34.878 1.602 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.283 34.475 0.232 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.494 31.424 0.324 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.707 30.625 -0.696 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.720 33.409 -1.070 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.459 31.705 -1.456 1.00 0.00 H new ATOM 889 N ARG A 54 6.138 34.567 2.285 1.00 0.00 N ATOM 890 CA ARG A 54 7.571 34.840 2.515 1.00 0.00 C ATOM 891 C ARG A 54 7.538 36.289 2.953 1.00 0.00 C ATOM 892 O ARG A 54 7.618 37.144 2.068 1.00 0.00 O ATOM 893 CB ARG A 54 8.625 34.354 1.481 1.00 0.00 C ATOM 894 CG ARG A 54 10.038 34.177 2.079 1.00 0.00 C ATOM 895 CD ARG A 54 10.869 35.477 2.212 1.00 0.00 C ATOM 896 NE ARG A 54 11.968 35.313 3.192 1.00 0.00 N ATOM 897 CZ ARG A 54 13.167 35.876 3.176 1.00 0.00 C ATOM 898 NH1 ARG A 54 13.563 36.661 2.218 1.00 0.00 N ATOM 899 NH2 ARG A 54 13.985 35.673 4.180 1.00 0.00 N ATOM 0 H ARG A 54 5.589 34.567 3.145 1.00 0.00 H new ATOM 0 HA ARG A 54 8.016 34.189 3.268 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.297 33.405 1.058 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.673 35.069 0.660 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.943 33.724 3.066 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.592 33.473 1.457 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.282 35.749 1.241 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.220 36.296 2.523 1.00 0.00 H new ATOM 0 HE ARG A 54 11.778 34.689 3.976 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.941 36.866 1.436 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.496 37.072 2.248 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.696 35.087 4.963 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.911 36.101 4.178 1.00 0.00 H new ATOM 913 N SER A 55 7.456 36.636 4.210 1.00 0.00 N ATOM 914 CA SER A 55 6.963 37.941 4.687 1.00 0.00 C ATOM 915 C SER A 55 7.784 38.364 5.888 1.00 0.00 C ATOM 916 O SER A 55 7.880 37.573 6.824 1.00 0.00 O ATOM 917 CB SER A 55 5.485 38.042 5.075 1.00 0.00 C ATOM 918 OG SER A 55 4.630 37.288 4.255 1.00 0.00 O ATOM 0 H SER A 55 7.734 36.013 4.969 1.00 0.00 H new ATOM 0 HA SER A 55 7.070 38.590 3.818 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.367 37.712 6.107 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.180 39.088 5.037 1.00 0.00 H new ATOM 0 HG SER A 55 3.705 37.397 4.559 1.00 0.00 H new ATOM 924 N LEU A 56 8.638 39.381 5.744 1.00 0.00 N ATOM 925 CA LEU A 56 9.590 39.741 6.790 1.00 0.00 C ATOM 926 C LEU A 56 8.885 40.607 7.844 1.00 0.00 C ATOM 927 O LEU A 56 8.759 40.185 8.978 1.00 0.00 O ATOM 928 CB LEU A 56 10.819 40.480 6.179 1.00 0.00 C ATOM 929 CG LEU A 56 11.381 39.898 4.873 1.00 0.00 C ATOM 930 CD1 LEU A 56 12.619 40.673 4.434 1.00 0.00 C ATOM 931 CD2 LEU A 56 11.724 38.414 4.974 1.00 0.00 C ATOM 0 H LEU A 56 8.687 39.968 4.911 1.00 0.00 H new ATOM 0 HA LEU A 56 9.959 38.836 7.273 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.540 41.518 5.999 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.617 40.489 6.921 1.00 0.00 H new ATOM 0 HG LEU A 56 10.589 39.999 4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 56 13.005 40.248 3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.355 41.718 4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 56 13.383 40.608 5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.116 38.065 4.018 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.475 38.266 5.750 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.826 37.849 5.226 1.00 0.00 H new ATOM 943 N SER A 57 8.580 41.867 7.530 1.00 0.00 N ATOM 944 CA SER A 57 7.819 42.868 8.294 1.00 0.00 C ATOM 945 C SER A 57 7.033 43.926 7.545 1.00 0.00 C ATOM 946 O SER A 57 7.750 44.874 7.211 1.00 0.00 O ATOM 947 CB SER A 57 8.505 43.346 9.549 1.00 0.00 C ATOM 948 OG SER A 57 7.550 43.484 10.569 1.00 0.00 O ATOM 0 H SER A 57 8.891 42.257 6.640 1.00 0.00 H new ATOM 0 HA SER A 57 6.984 42.252 8.627 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.277 42.637 9.849 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.001 44.299 9.367 1.00 0.00 H new ATOM 0 HG SER A 57 7.989 43.793 11.389 1.00 0.00 H new ATOM 954 N SER A 58 6.048 43.670 6.690 1.00 0.00 N ATOM 955 CA SER A 58 5.307 44.768 6.015 1.00 0.00 C ATOM 956 C SER A 58 4.607 45.817 6.914 1.00 0.00 C ATOM 957 O SER A 58 4.381 46.942 6.500 1.00 0.00 O ATOM 958 CB SER A 58 4.370 44.137 5.012 1.00 0.00 C ATOM 959 OG SER A 58 3.619 45.056 4.262 1.00 0.00 O ATOM 0 H SER A 58 5.736 42.731 6.440 1.00 0.00 H new ATOM 0 HA SER A 58 6.057 45.394 5.531 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.952 43.518 4.329 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.686 43.472 5.540 1.00 0.00 H new ATOM 0 HG SER A 58 3.040 44.572 3.637 1.00 0.00 H new ATOM 965 N TYR A 59 4.360 45.508 8.195 1.00 0.00 N ATOM 966 CA TYR A 59 3.526 46.355 9.061 1.00 0.00 C ATOM 967 C TYR A 59 4.468 47.291 9.841 1.00 0.00 C ATOM 968 O TYR A 59 4.069 48.403 10.188 1.00 0.00 O ATOM 969 CB TYR A 59 2.779 45.449 10.066 1.00 0.00 C ATOM 970 CG TYR A 59 1.882 46.211 11.026 1.00 0.00 C ATOM 971 CD1 TYR A 59 0.652 46.709 10.578 1.00 0.00 C ATOM 972 CD2 TYR A 59 2.298 46.459 12.359 1.00 0.00 C ATOM 973 CE1 TYR A 59 -0.168 47.466 11.432 1.00 0.00 C ATOM 974 CE2 TYR A 59 1.477 47.216 13.224 1.00 0.00 C ATOM 975 CZ TYR A 59 0.239 47.724 12.755 1.00 0.00 C ATOM 976 OH TYR A 59 -0.549 48.463 13.571 1.00 0.00 O ATOM 0 H TYR A 59 4.727 44.675 8.656 1.00 0.00 H new ATOM 0 HA TYR A 59 2.808 46.928 8.474 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.176 44.729 9.513 1.00 0.00 H new ATOM 0 HB3 TYR A 59 3.509 44.879 10.640 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.331 46.509 9.566 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.241 46.070 12.712 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.111 47.850 11.073 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.791 47.407 14.239 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.123 48.546 14.450 1.00 0.00 H new ATOM 986 N GLY A 60 5.729 46.890 10.044 1.00 0.00 N ATOM 987 CA GLY A 60 6.774 47.704 10.667 1.00 0.00 C ATOM 988 C GLY A 60 7.652 48.502 9.696 1.00 0.00 C ATOM 989 O GLY A 60 8.234 49.509 10.097 1.00 0.00 O ATOM 0 H GLY A 60 6.057 45.964 9.771 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.303 48.401 11.361 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.416 47.051 11.258 1.00 0.00 H new ATOM 993 N ILE A 61 7.595 48.233 8.383 1.00 0.00 N ATOM 994 CA ILE A 61 8.518 48.833 7.420 1.00 0.00 C ATOM 995 C ILE A 61 7.574 49.384 6.358 1.00 0.00 C ATOM 996 O ILE A 61 6.924 48.644 5.620 1.00 0.00 O ATOM 997 CB ILE A 61 9.506 47.816 6.739 1.00 0.00 C ATOM 998 CG1 ILE A 61 10.369 47.024 7.740 1.00 0.00 C ATOM 999 CG2 ILE A 61 10.426 48.576 5.740 1.00 0.00 C ATOM 1000 CD1 ILE A 61 11.255 45.933 7.120 1.00 0.00 C ATOM 0 H ILE A 61 6.913 47.599 7.966 1.00 0.00 H new ATOM 0 HA ILE A 61 9.167 49.558 7.911 1.00 0.00 H new ATOM 0 HB ILE A 61 8.889 47.083 6.219 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.007 47.725 8.279 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.711 46.561 8.475 1.00 0.00 H new ATOM 0 HG21 ILE A 61 11.111 47.872 5.268 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.815 49.056 4.975 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.998 49.334 6.276 1.00 0.00 H new ATOM 0 HD11 ILE A 61 11.822 45.434 7.906 1.00 0.00 H new ATOM 0 HD12 ILE A 61 10.628 45.204 6.606 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.944 46.386 6.407 1.00 0.00 H new ATOM 1012 N ASP A 62 7.694 50.694 6.130 1.00 0.00 N ATOM 1013 CA ASP A 62 6.728 51.458 5.333 1.00 0.00 C ATOM 1014 C ASP A 62 7.596 51.941 4.163 1.00 0.00 C ATOM 1015 O ASP A 62 8.429 52.852 4.255 1.00 0.00 O ATOM 1016 CB ASP A 62 6.132 52.674 6.082 1.00 0.00 C ATOM 1017 CG ASP A 62 5.131 53.439 5.213 1.00 0.00 C ATOM 1018 OD1 ASP A 62 5.561 54.359 4.491 1.00 0.00 O ATOM 1019 OD2 ASP A 62 3.935 53.075 5.275 1.00 0.00 O ATOM 0 H ASP A 62 8.464 51.256 6.493 1.00 0.00 H new ATOM 0 HA ASP A 62 5.860 50.858 5.059 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.638 52.334 6.993 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.936 53.344 6.386 1.00 0.00 H new ATOM 1024 N LYS A 63 7.459 51.154 3.082 1.00 0.00 N ATOM 1025 CA LYS A 63 8.092 51.314 1.780 1.00 0.00 C ATOM 1026 C LYS A 63 7.472 50.310 0.816 1.00 0.00 C ATOM 1027 O LYS A 63 7.468 49.103 1.074 1.00 0.00 O ATOM 1028 CB LYS A 63 9.637 51.094 1.833 1.00 0.00 C ATOM 1029 CG LYS A 63 10.395 52.436 1.832 1.00 0.00 C ATOM 1030 CD LYS A 63 11.700 52.431 2.639 1.00 0.00 C ATOM 1031 CE LYS A 63 11.966 53.857 3.133 1.00 0.00 C ATOM 1032 NZ LYS A 63 13.287 53.986 3.784 1.00 0.00 N ATOM 0 H LYS A 63 6.856 50.331 3.107 1.00 0.00 H new ATOM 0 HA LYS A 63 7.925 52.339 1.448 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.895 50.529 2.729 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.951 50.496 0.977 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.621 52.710 0.802 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.739 53.210 2.231 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.622 51.745 3.483 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.527 52.083 2.021 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.909 54.548 2.292 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.186 54.147 3.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.423 54.967 4.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.334 53.347 4.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.034 53.735 3.106 1.00 0.00 H new ATOM 1046 N GLU A 64 7.222 50.754 -0.409 1.00 0.00 N ATOM 1047 CA GLU A 64 6.517 49.939 -1.373 1.00 0.00 C ATOM 1048 C GLU A 64 7.664 49.371 -2.224 1.00 0.00 C ATOM 1049 O GLU A 64 8.362 50.049 -2.977 1.00 0.00 O ATOM 1050 CB GLU A 64 5.518 50.724 -2.272 1.00 0.00 C ATOM 1051 CG GLU A 64 5.937 52.091 -2.853 1.00 0.00 C ATOM 1052 CD GLU A 64 5.398 53.257 -2.031 1.00 0.00 C ATOM 1053 OE1 GLU A 64 6.073 53.570 -1.022 1.00 0.00 O ATOM 1054 OE2 GLU A 64 4.335 53.798 -2.429 1.00 0.00 O ATOM 0 H GLU A 64 7.499 51.674 -0.752 1.00 0.00 H new ATOM 0 HA GLU A 64 5.889 49.197 -0.880 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.255 50.079 -3.110 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.608 50.880 -1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.025 52.149 -2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.576 52.174 -3.878 1.00 0.00 H new ATOM 1061 N LYS A 65 7.821 48.051 -2.100 1.00 0.00 N ATOM 1062 CA LYS A 65 8.947 47.316 -2.696 1.00 0.00 C ATOM 1063 C LYS A 65 8.397 45.972 -3.164 1.00 0.00 C ATOM 1064 O LYS A 65 7.515 45.372 -2.539 1.00 0.00 O ATOM 1065 CB LYS A 65 10.157 47.114 -1.719 1.00 0.00 C ATOM 1066 CG LYS A 65 9.895 46.265 -0.454 1.00 0.00 C ATOM 1067 CD LYS A 65 11.128 46.116 0.455 1.00 0.00 C ATOM 1068 CE LYS A 65 10.819 45.109 1.572 1.00 0.00 C ATOM 1069 NZ LYS A 65 11.665 45.322 2.769 1.00 0.00 N ATOM 0 H LYS A 65 7.172 47.458 -1.583 1.00 0.00 H new ATOM 0 HA LYS A 65 9.353 47.900 -3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.971 46.651 -2.277 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.506 48.097 -1.403 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.086 46.720 0.117 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.555 45.274 -0.756 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.985 45.778 -0.128 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.396 47.081 0.884 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.769 45.191 1.852 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.971 44.097 1.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.421 44.620 3.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.667 45.218 2.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.502 46.279 3.143 1.00 0.00 H new ATOM 1083 N THR A 66 9.071 45.424 -4.161 1.00 0.00 N ATOM 1084 CA THR A 66 8.662 44.210 -4.858 1.00 0.00 C ATOM 1085 C THR A 66 9.837 43.266 -4.655 1.00 0.00 C ATOM 1086 O THR A 66 10.987 43.673 -4.458 1.00 0.00 O ATOM 1087 CB THR A 66 8.456 44.393 -6.389 1.00 0.00 C ATOM 1088 OG1 THR A 66 9.452 45.195 -6.991 1.00 0.00 O ATOM 1089 CG2 THR A 66 7.116 45.035 -6.719 1.00 0.00 C ATOM 0 H THR A 66 9.940 45.819 -4.519 1.00 0.00 H new ATOM 0 HA THR A 66 7.703 43.867 -4.470 1.00 0.00 H new ATOM 0 HB THR A 66 8.506 43.379 -6.786 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.273 45.274 -7.951 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.020 45.141 -7.800 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.309 44.406 -6.343 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.058 46.018 -6.251 1.00 0.00 H new ATOM 1097 N ILE A 67 9.550 41.978 -4.666 1.00 0.00 N ATOM 1098 CA ILE A 67 10.459 40.939 -4.170 1.00 0.00 C ATOM 1099 C ILE A 67 10.182 39.744 -5.080 1.00 0.00 C ATOM 1100 O ILE A 67 9.063 39.565 -5.570 1.00 0.00 O ATOM 1101 CB ILE A 67 10.225 40.455 -2.684 1.00 0.00 C ATOM 1102 CG1 ILE A 67 9.097 41.094 -1.840 1.00 0.00 C ATOM 1103 CG2 ILE A 67 11.552 40.462 -1.905 1.00 0.00 C ATOM 1104 CD1 ILE A 67 9.328 42.497 -1.268 1.00 0.00 C ATOM 0 H ILE A 67 8.668 41.610 -5.023 1.00 0.00 H new ATOM 0 HA ILE A 67 11.471 41.344 -4.177 1.00 0.00 H new ATOM 0 HB ILE A 67 9.834 39.449 -2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.199 41.129 -2.457 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.885 40.425 -1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 67 11.376 40.126 -0.883 1.00 0.00 H new ATOM 0 HG22 ILE A 67 12.262 39.792 -2.390 1.00 0.00 H new ATOM 0 HG23 ILE A 67 11.960 41.473 -1.890 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.450 42.808 -0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 67 10.198 42.483 -0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.501 43.199 -2.084 1.00 0.00 H new ATOM 1116 N HIS A 68 11.165 38.863 -5.217 1.00 0.00 N ATOM 1117 CA HIS A 68 11.131 37.807 -6.229 1.00 0.00 C ATOM 1118 C HIS A 68 11.847 36.610 -5.608 1.00 0.00 C ATOM 1119 O HIS A 68 12.921 36.734 -5.012 1.00 0.00 O ATOM 1120 CB HIS A 68 11.819 38.219 -7.561 1.00 0.00 C ATOM 1121 CG HIS A 68 11.619 37.210 -8.671 1.00 0.00 C ATOM 1122 ND1 HIS A 68 10.387 36.840 -9.193 1.00 0.00 N ATOM 1123 CD2 HIS A 68 12.599 36.554 -9.364 1.00 0.00 C ATOM 1124 CE1 HIS A 68 10.637 35.981 -10.183 1.00 0.00 C ATOM 1125 NE2 HIS A 68 11.962 35.780 -10.313 1.00 0.00 N ATOM 0 H HIS A 68 12.003 38.857 -4.636 1.00 0.00 H new ATOM 0 HA HIS A 68 10.098 37.583 -6.496 1.00 0.00 H new ATOM 0 HB2 HIS A 68 11.428 39.185 -7.881 1.00 0.00 H new ATOM 0 HB3 HIS A 68 12.887 38.350 -7.386 1.00 0.00 H new ATOM 0 HD2 HIS A 68 13.664 36.627 -9.200 1.00 0.00 H new ATOM 0 HE1 HIS A 68 9.881 35.512 -10.795 1.00 0.00 H new ATOM 0 HE2 HIS A 68 12.414 35.166 -10.991 1.00 0.00 H new ATOM 1133 N LEU A 69 11.266 35.428 -5.783 1.00 0.00 N ATOM 1134 CA LEU A 69 11.530 34.244 -4.968 1.00 0.00 C ATOM 1135 C LEU A 69 11.447 33.055 -5.946 1.00 0.00 C ATOM 1136 O LEU A 69 11.040 33.193 -7.108 1.00 0.00 O ATOM 1137 CB LEU A 69 10.430 33.986 -3.865 1.00 0.00 C ATOM 1138 CG LEU A 69 9.783 35.160 -3.080 1.00 0.00 C ATOM 1139 CD1 LEU A 69 8.275 34.904 -2.883 1.00 0.00 C ATOM 1140 CD2 LEU A 69 10.377 35.371 -1.687 1.00 0.00 C ATOM 0 H LEU A 69 10.578 35.261 -6.517 1.00 0.00 H new ATOM 0 HA LEU A 69 12.486 34.372 -4.461 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.619 33.441 -4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.871 33.315 -3.127 1.00 0.00 H new ATOM 0 HG LEU A 69 9.978 36.046 -3.683 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.834 35.734 -2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.791 34.816 -3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.133 33.980 -2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.875 36.207 -1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.238 34.468 -1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.442 35.588 -1.774 1.00 0.00 H new ATOM 1152 N THR A 70 11.619 31.836 -5.447 1.00 0.00 N ATOM 1153 CA THR A 70 11.590 30.656 -6.312 1.00 0.00 C ATOM 1154 C THR A 70 10.457 29.801 -5.758 1.00 0.00 C ATOM 1155 O THR A 70 9.977 29.960 -4.630 1.00 0.00 O ATOM 1156 CB THR A 70 12.916 29.812 -6.338 1.00 0.00 C ATOM 1157 OG1 THR A 70 13.344 29.372 -5.072 1.00 0.00 O ATOM 1158 CG2 THR A 70 14.107 30.521 -6.972 1.00 0.00 C ATOM 0 H THR A 70 11.778 31.637 -4.459 1.00 0.00 H new ATOM 0 HA THR A 70 11.458 30.977 -7.345 1.00 0.00 H new ATOM 0 HB THR A 70 12.618 28.964 -6.954 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.701 29.660 -4.391 1.00 0.00 H new ATOM 0 HG21 THR A 70 14.977 29.865 -6.946 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.872 30.772 -8.006 1.00 0.00 H new ATOM 0 HG23 THR A 70 14.325 31.434 -6.417 1.00 0.00 H new ATOM 1166 N LEU A 71 9.918 28.917 -6.595 1.00 0.00 N ATOM 1167 CA LEU A 71 8.689 28.156 -6.325 1.00 0.00 C ATOM 1168 C LEU A 71 8.657 27.010 -7.339 1.00 0.00 C ATOM 1169 O LEU A 71 9.319 27.044 -8.382 1.00 0.00 O ATOM 1170 CB LEU A 71 7.417 29.064 -6.394 1.00 0.00 C ATOM 1171 CG LEU A 71 6.031 28.355 -6.363 1.00 0.00 C ATOM 1172 CD1 LEU A 71 4.956 29.159 -5.642 1.00 0.00 C ATOM 1173 CD2 LEU A 71 5.509 28.086 -7.773 1.00 0.00 C ATOM 0 H LEU A 71 10.330 28.701 -7.503 1.00 0.00 H new ATOM 0 HA LEU A 71 8.687 27.758 -5.310 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.457 29.764 -5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.473 29.655 -7.308 1.00 0.00 H new ATOM 0 HG LEU A 71 6.212 27.426 -5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.016 28.607 -5.658 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.260 29.328 -4.609 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.822 30.118 -6.143 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.540 27.590 -7.714 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.402 29.030 -8.308 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.212 27.446 -8.305 1.00 0.00 H new ATOM 1185 N LYS A 72 7.904 25.960 -7.010 1.00 0.00 N ATOM 1186 CA LYS A 72 7.791 24.736 -7.800 1.00 0.00 C ATOM 1187 C LYS A 72 6.472 24.060 -7.403 1.00 0.00 C ATOM 1188 O LYS A 72 6.221 23.774 -6.233 1.00 0.00 O ATOM 1189 CB LYS A 72 8.990 23.780 -7.486 1.00 0.00 C ATOM 1190 CG LYS A 72 9.035 22.534 -8.398 1.00 0.00 C ATOM 1191 CD LYS A 72 9.688 21.324 -7.721 1.00 0.00 C ATOM 1192 CE LYS A 72 11.177 21.546 -7.409 1.00 0.00 C ATOM 1193 NZ LYS A 72 11.693 20.477 -6.516 1.00 0.00 N ATOM 0 H LYS A 72 7.339 25.938 -6.161 1.00 0.00 H new ATOM 0 HA LYS A 72 7.808 24.964 -8.866 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.923 24.333 -7.592 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.926 23.458 -6.446 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.020 22.273 -8.698 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.584 22.775 -9.308 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.157 21.101 -6.795 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.583 20.452 -8.367 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.750 21.559 -8.336 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.313 22.519 -6.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.700 20.646 -6.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.159 20.482 -5.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.582 19.553 -6.980 1.00 0.00 H new ATOM 1207 N VAL A 73 5.763 23.556 -8.409 1.00 0.00 N ATOM 1208 CA VAL A 73 4.416 22.955 -8.252 1.00 0.00 C ATOM 1209 C VAL A 73 4.541 21.594 -8.943 1.00 0.00 C ATOM 1210 O VAL A 73 5.177 21.438 -9.982 1.00 0.00 O ATOM 1211 CB VAL A 73 3.209 23.758 -8.862 1.00 0.00 C ATOM 1212 CG1 VAL A 73 3.534 25.094 -9.529 1.00 0.00 C ATOM 1213 CG2 VAL A 73 2.335 22.969 -9.865 1.00 0.00 C ATOM 0 H VAL A 73 6.100 23.547 -9.372 1.00 0.00 H new ATOM 0 HA VAL A 73 4.166 22.925 -7.191 1.00 0.00 H new ATOM 0 HB VAL A 73 2.660 23.952 -7.940 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.616 25.545 -9.907 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.993 25.762 -8.800 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.225 24.929 -10.356 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.531 23.609 -10.229 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.949 22.644 -10.705 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.909 22.097 -9.369 1.00 0.00 H new ATOM 1223 N VAL A 74 4.102 20.583 -8.183 1.00 0.00 N ATOM 1224 CA VAL A 74 4.168 19.142 -8.498 1.00 0.00 C ATOM 1225 C VAL A 74 2.964 18.462 -7.834 1.00 0.00 C ATOM 1226 O VAL A 74 2.471 18.994 -6.836 1.00 0.00 O ATOM 1227 CB VAL A 74 5.497 18.515 -7.997 1.00 0.00 C ATOM 1228 CG1 VAL A 74 5.692 17.060 -8.456 1.00 0.00 C ATOM 1229 CG2 VAL A 74 6.775 19.260 -8.415 1.00 0.00 C ATOM 0 H VAL A 74 3.665 20.754 -7.278 1.00 0.00 H new ATOM 0 HA VAL A 74 4.139 18.998 -9.578 1.00 0.00 H new ATOM 0 HB VAL A 74 5.373 18.585 -6.916 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.639 16.681 -8.072 1.00 0.00 H new ATOM 0 HG12 VAL A 74 4.875 16.446 -8.076 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.700 17.020 -9.545 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.646 18.741 -8.015 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.839 19.291 -9.503 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.747 20.277 -8.024 1.00 0.00 H new ATOM 1239 N LYS A 75 2.582 17.263 -8.309 1.00 0.00 N ATOM 1240 CA LYS A 75 1.395 16.479 -7.887 1.00 0.00 C ATOM 1241 C LYS A 75 0.103 17.270 -8.081 1.00 0.00 C ATOM 1242 O LYS A 75 -0.439 17.740 -7.068 1.00 0.00 O ATOM 1243 CB LYS A 75 1.556 15.918 -6.460 1.00 0.00 C ATOM 1244 CG LYS A 75 2.646 14.842 -6.285 1.00 0.00 C ATOM 1245 CD LYS A 75 2.112 13.411 -6.464 1.00 0.00 C ATOM 1246 CE LYS A 75 3.193 12.418 -6.007 1.00 0.00 C ATOM 1247 NZ LYS A 75 2.861 11.018 -6.394 1.00 0.00 N ATOM 0 H LYS A 75 3.116 16.786 -9.035 1.00 0.00 H new ATOM 0 HA LYS A 75 1.321 15.610 -8.541 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.777 16.746 -5.786 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.601 15.497 -6.145 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.443 15.019 -7.007 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.087 14.938 -5.293 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.201 13.272 -5.881 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.853 13.233 -7.508 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.151 12.698 -6.444 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.307 12.478 -4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.614 10.380 -6.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.959 10.741 -5.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.777 10.954 -7.429 1.00 0.00 H new TER 1261 LYS A 75