USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 420 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 42 ASN : amide:sc= -2.43 K(o=-7.1,f=-11!) USER MOD Set 1.2: A 43 ASN : amide:sc= -4.72 K(o=-7.1,f=-8.5!) USER MOD Set 2.1: A 26 SER OG : rot 120:sc= -1.52 USER MOD Set 2.2: A 28 LYS NZ :NH3+ -158:sc= 0.224 (180deg=0.0456) USER MOD Single : A 1 LYS N :NH3+ -114:sc= 0.0949 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -1.56 K(o=-1.6,f=-2.6) USER MOD Single : A 8 SER OG : rot 180:sc= 0.139 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 36:sc= 0.423 USER MOD Single : A 23 ASN : amide:sc= -0.708 X(o=-0.71,f=-1) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -84:sc= 0.621 USER MOD Single : A 40 ASN : amide:sc= -1.89! C(o=-1.9!,f=-2.3!) USER MOD Single : A 41 SER OG : rot 1:sc= -0.517 USER MOD Single : A 46 THR OG1 : rot -150:sc= -0.872 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.135 X(o=-0.14,f=-0.22) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -0.609 1.324 -1.125 1.00 13.32 N ATOM 2 CA LYS A 1 -0.720 -0.085 -1.483 1.00 0.22 C ATOM 3 C LYS A 1 -1.247 -0.245 -2.905 1.00 41.03 C ATOM 4 O LYS A 1 -1.782 0.697 -3.490 1.00 35.10 O ATOM 5 CB LYS A 1 -1.643 -0.811 -0.501 1.00 44.31 C ATOM 6 CG LYS A 1 -1.534 -2.324 -0.570 1.00 20.20 C ATOM 7 CD LYS A 1 -1.585 -2.950 0.814 1.00 64.44 C ATOM 8 CE LYS A 1 -1.850 -4.446 0.739 1.00 61.21 C ATOM 9 NZ LYS A 1 -1.065 -5.200 1.756 1.00 74.02 N ATOM 0 H1 LYS A 1 0.393 1.570 -0.992 1.00 13.32 H new ATOM 0 H2 LYS A 1 -1.011 1.908 -1.886 1.00 13.32 H new ATOM 0 H3 LYS A 1 -1.129 1.500 -0.242 1.00 13.32 H new ATOM 0 HA LYS A 1 0.275 -0.527 -1.431 1.00 0.22 H new ATOM 0 HB2 LYS A 1 -1.411 -0.484 0.513 1.00 44.31 H new ATOM 0 HB3 LYS A 1 -2.674 -0.520 -0.701 1.00 44.31 H new ATOM 0 HG2 LYS A 1 -2.345 -2.721 -1.180 1.00 20.20 H new ATOM 0 HG3 LYS A 1 -0.601 -2.601 -1.061 1.00 20.20 H new ATOM 0 HD2 LYS A 1 -0.642 -2.772 1.330 1.00 64.44 H new ATOM 0 HD3 LYS A 1 -2.366 -2.470 1.403 1.00 64.44 H new ATOM 0 HE2 LYS A 1 -2.913 -4.634 0.888 1.00 61.21 H new ATOM 0 HE3 LYS A 1 -1.598 -4.810 -0.257 1.00 61.21 H new ATOM 0 HZ1 LYS A 1 -1.273 -6.215 1.672 1.00 74.02 H new ATOM 0 HZ2 LYS A 1 -0.049 -5.041 1.599 1.00 74.02 H new ATOM 0 HZ3 LYS A 1 -1.323 -4.871 2.708 1.00 74.02 H new ATOM 23 N LYS A 2 -1.093 -1.444 -3.457 1.00 2.11 N ATOM 24 CA LYS A 2 -1.555 -1.729 -4.810 1.00 33.31 C ATOM 25 C LYS A 2 -0.822 -0.864 -5.829 1.00 41.35 C ATOM 26 O LYS A 2 -1.253 -0.736 -6.976 1.00 22.42 O ATOM 27 CB LYS A 2 -3.064 -1.494 -4.916 1.00 4.52 C ATOM 28 CG LYS A 2 -3.703 -2.175 -6.113 1.00 52.23 C ATOM 29 CD LYS A 2 -4.358 -3.489 -5.723 1.00 61.31 C ATOM 30 CE LYS A 2 -5.869 -3.430 -5.887 1.00 1.43 C ATOM 31 NZ LYS A 2 -6.553 -4.504 -5.116 1.00 31.42 N ATOM 0 H LYS A 2 -0.651 -2.234 -2.987 1.00 2.11 H new ATOM 0 HA LYS A 2 -1.340 -2.775 -5.027 1.00 33.31 H new ATOM 0 HB2 LYS A 2 -3.544 -1.853 -4.006 1.00 4.52 H new ATOM 0 HB3 LYS A 2 -3.253 -0.422 -4.975 1.00 4.52 H new ATOM 0 HG2 LYS A 2 -4.448 -1.513 -6.554 1.00 52.23 H new ATOM 0 HG3 LYS A 2 -2.946 -2.357 -6.876 1.00 52.23 H new ATOM 0 HD2 LYS A 2 -3.956 -4.294 -6.338 1.00 61.31 H new ATOM 0 HD3 LYS A 2 -4.112 -3.726 -4.688 1.00 61.31 H new ATOM 0 HE2 LYS A 2 -6.232 -2.457 -5.556 1.00 1.43 H new ATOM 0 HE3 LYS A 2 -6.124 -3.523 -6.943 1.00 1.43 H new ATOM 0 HZ1 LYS A 2 -7.581 -4.429 -5.254 1.00 31.42 H new ATOM 0 HZ2 LYS A 2 -6.225 -5.433 -5.449 1.00 31.42 H new ATOM 0 HZ3 LYS A 2 -6.331 -4.401 -4.105 1.00 31.42 H new ATOM 45 N LYS A 3 0.289 -0.271 -5.406 1.00 22.15 N ATOM 46 CA LYS A 3 1.085 0.580 -6.282 1.00 11.53 C ATOM 47 C LYS A 3 1.653 -0.220 -7.449 1.00 55.15 C ATOM 48 O LYS A 3 1.977 0.338 -8.498 1.00 71.13 O ATOM 49 CB LYS A 3 2.224 1.233 -5.495 1.00 50.34 C ATOM 50 CG LYS A 3 1.780 2.414 -4.650 1.00 4.44 C ATOM 51 CD LYS A 3 2.547 3.676 -5.009 1.00 11.45 C ATOM 52 CE LYS A 3 2.058 4.872 -4.206 1.00 5.42 C ATOM 53 NZ LYS A 3 2.805 6.114 -4.551 1.00 13.13 N ATOM 0 H LYS A 3 0.659 -0.364 -4.460 1.00 22.15 H new ATOM 0 HA LYS A 3 0.434 1.358 -6.681 1.00 11.53 H new ATOM 0 HB2 LYS A 3 2.682 0.485 -4.847 1.00 50.34 H new ATOM 0 HB3 LYS A 3 2.993 1.565 -6.193 1.00 50.34 H new ATOM 0 HG2 LYS A 3 0.713 2.583 -4.792 1.00 4.44 H new ATOM 0 HG3 LYS A 3 1.929 2.184 -3.595 1.00 4.44 H new ATOM 0 HD2 LYS A 3 3.610 3.522 -4.824 1.00 11.45 H new ATOM 0 HD3 LYS A 3 2.435 3.881 -6.074 1.00 11.45 H new ATOM 0 HE2 LYS A 3 0.995 5.024 -4.392 1.00 5.42 H new ATOM 0 HE3 LYS A 3 2.169 4.665 -3.142 1.00 5.42 H new ATOM 0 HZ1 LYS A 3 2.443 6.906 -3.983 1.00 13.13 H new ATOM 0 HZ2 LYS A 3 3.816 5.978 -4.350 1.00 13.13 H new ATOM 0 HZ3 LYS A 3 2.678 6.326 -5.561 1.00 13.13 H new ATOM 67 N CYS A 4 1.769 -1.530 -7.262 1.00 31.22 N ATOM 68 CA CYS A 4 2.296 -2.408 -8.299 1.00 61.05 C ATOM 69 C CYS A 4 1.327 -2.505 -9.474 1.00 41.33 C ATOM 70 O CYS A 4 1.707 -2.910 -10.572 1.00 71.14 O ATOM 71 CB CYS A 4 2.565 -3.802 -7.729 1.00 74.25 C ATOM 72 SG CYS A 4 3.319 -4.959 -8.918 1.00 3.44 S ATOM 0 H CYS A 4 1.505 -2.008 -6.400 1.00 31.22 H new ATOM 0 HA CYS A 4 3.233 -1.983 -8.658 1.00 61.05 H new ATOM 0 HB2 CYS A 4 3.221 -3.709 -6.863 1.00 74.25 H new ATOM 0 HB3 CYS A 4 1.626 -4.225 -7.373 1.00 74.25 H new ATOM 77 N GLN A 5 0.075 -2.129 -9.234 1.00 30.32 N ATOM 78 CA GLN A 5 -0.948 -2.174 -10.272 1.00 32.23 C ATOM 79 C GLN A 5 -1.252 -0.775 -10.797 1.00 71.24 C ATOM 80 O GLN A 5 -2.337 -0.238 -10.572 1.00 13.11 O ATOM 81 CB GLN A 5 -2.226 -2.817 -9.730 1.00 71.10 C ATOM 82 CG GLN A 5 -1.969 -3.990 -8.797 1.00 52.25 C ATOM 83 CD GLN A 5 -3.174 -4.899 -8.657 1.00 52.22 C ATOM 84 OE1 GLN A 5 -4.224 -4.653 -9.252 1.00 31.31 O ATOM 85 NE2 GLN A 5 -3.029 -5.957 -7.868 1.00 14.33 N ATOM 0 H GLN A 5 -0.255 -1.790 -8.330 1.00 30.32 H new ATOM 0 HA GLN A 5 -0.568 -2.777 -11.096 1.00 32.23 H new ATOM 0 HB2 GLN A 5 -2.806 -2.062 -9.199 1.00 71.10 H new ATOM 0 HB3 GLN A 5 -2.835 -3.156 -10.568 1.00 71.10 H new ATOM 0 HG2 GLN A 5 -1.124 -4.568 -9.171 1.00 52.25 H new ATOM 0 HG3 GLN A 5 -1.687 -3.613 -7.814 1.00 52.25 H new ATOM 0 HE21 GLN A 5 -2.141 -6.122 -7.394 1.00 14.33 H new ATOM 0 HE22 GLN A 5 -3.806 -6.605 -7.736 1.00 14.33 H new ATOM 94 N LEU A 6 -0.288 -0.190 -11.499 1.00 4.12 N ATOM 95 CA LEU A 6 -0.452 1.148 -12.057 1.00 64.10 C ATOM 96 C LEU A 6 -0.297 1.127 -13.574 1.00 50.54 C ATOM 97 O LEU A 6 0.767 0.816 -14.110 1.00 53.04 O ATOM 98 CB LEU A 6 0.569 2.107 -11.442 1.00 13.22 C ATOM 99 CG LEU A 6 0.147 2.792 -10.141 1.00 51.14 C ATOM 100 CD1 LEU A 6 -0.720 4.007 -10.435 1.00 21.23 C ATOM 101 CD2 LEU A 6 -0.590 1.814 -9.238 1.00 53.13 C ATOM 0 H LEU A 6 0.615 -0.621 -11.695 1.00 4.12 H new ATOM 0 HA LEU A 6 -1.457 1.495 -11.817 1.00 64.10 H new ATOM 0 HB2 LEU A 6 1.490 1.555 -11.256 1.00 13.22 H new ATOM 0 HB3 LEU A 6 0.802 2.878 -12.176 1.00 13.22 H new ATOM 0 HG LEU A 6 1.044 3.129 -9.622 1.00 51.14 H new ATOM 0 HD11 LEU A 6 -1.011 4.482 -9.498 1.00 21.23 H new ATOM 0 HD12 LEU A 6 -0.158 4.717 -11.042 1.00 21.23 H new ATOM 0 HD13 LEU A 6 -1.613 3.694 -10.976 1.00 21.23 H new ATOM 0 HD21 LEU A 6 -0.883 2.319 -8.317 1.00 53.13 H new ATOM 0 HD22 LEU A 6 -1.480 1.447 -9.749 1.00 53.13 H new ATOM 0 HD23 LEU A 6 0.064 0.975 -9.000 1.00 53.13 H new ATOM 113 N PRO A 7 -1.382 1.469 -14.285 1.00 13.23 N ATOM 114 CA PRO A 7 -1.392 1.501 -15.750 1.00 64.42 C ATOM 115 C PRO A 7 -0.546 2.639 -16.311 1.00 65.50 C ATOM 116 O PRO A 7 0.204 3.286 -15.580 1.00 65.42 O ATOM 117 CB PRO A 7 -2.868 1.714 -16.091 1.00 55.11 C ATOM 118 CG PRO A 7 -3.439 2.393 -14.894 1.00 73.20 C ATOM 119 CD PRO A 7 -2.684 1.852 -13.712 1.00 23.12 C ATOM 0 HA PRO A 7 -0.968 0.593 -16.180 1.00 64.42 H new ATOM 0 HB2 PRO A 7 -2.983 2.326 -16.986 1.00 55.11 H new ATOM 0 HB3 PRO A 7 -3.370 0.766 -16.286 1.00 55.11 H new ATOM 0 HG2 PRO A 7 -3.326 3.475 -14.968 1.00 73.20 H new ATOM 0 HG3 PRO A 7 -4.506 2.190 -14.802 1.00 73.20 H new ATOM 0 HD2 PRO A 7 -2.573 2.602 -12.929 1.00 23.12 H new ATOM 0 HD3 PRO A 7 -3.194 0.998 -13.266 1.00 23.12 H new ATOM 127 N SER A 8 -0.672 2.878 -17.612 1.00 65.35 N ATOM 128 CA SER A 8 0.084 3.936 -18.272 1.00 4.11 C ATOM 129 C SER A 8 -0.190 5.287 -17.619 1.00 1.40 C ATOM 130 O SER A 8 -1.099 5.420 -16.799 1.00 41.03 O ATOM 131 CB SER A 8 -0.270 3.994 -19.759 1.00 43.11 C ATOM 132 OG SER A 8 -1.168 2.956 -20.110 1.00 53.22 O ATOM 0 H SER A 8 -1.291 2.353 -18.230 1.00 65.35 H new ATOM 0 HA SER A 8 1.145 3.710 -18.168 1.00 4.11 H new ATOM 0 HB2 SER A 8 -0.717 4.960 -19.992 1.00 43.11 H new ATOM 0 HB3 SER A 8 0.638 3.911 -20.356 1.00 43.11 H new ATOM 0 HG SER A 8 -1.380 3.016 -21.065 1.00 53.22 H new ATOM 138 N ASP A 9 0.602 6.287 -17.989 1.00 5.55 N ATOM 139 CA ASP A 9 0.446 7.630 -17.441 1.00 33.24 C ATOM 140 C ASP A 9 1.387 8.612 -18.131 1.00 73.02 C ATOM 141 O ASP A 9 1.859 9.570 -17.519 1.00 41.24 O ATOM 142 CB ASP A 9 0.711 7.623 -15.934 1.00 43.13 C ATOM 143 CG ASP A 9 0.131 8.838 -15.239 1.00 15.53 C ATOM 144 OD1 ASP A 9 -0.514 9.661 -15.922 1.00 32.01 O ATOM 145 OD2 ASP A 9 0.321 8.968 -14.011 1.00 64.40 O ATOM 0 H ASP A 9 1.359 6.193 -18.666 1.00 5.55 H new ATOM 0 HA ASP A 9 -0.580 7.952 -17.620 1.00 33.24 H new ATOM 0 HB2 ASP A 9 0.284 6.720 -15.497 1.00 43.13 H new ATOM 0 HB3 ASP A 9 1.786 7.585 -15.757 1.00 43.13 H new ATOM 150 N VAL A 10 1.656 8.366 -19.410 1.00 10.54 N ATOM 151 CA VAL A 10 2.541 9.229 -20.184 1.00 34.12 C ATOM 152 C VAL A 10 2.196 10.699 -19.974 1.00 42.24 C ATOM 153 O VAL A 10 3.080 11.535 -19.792 1.00 24.24 O ATOM 154 CB VAL A 10 2.466 8.905 -21.688 1.00 34.43 C ATOM 155 CG1 VAL A 10 1.025 8.952 -22.173 1.00 51.42 C ATOM 156 CG2 VAL A 10 3.337 9.864 -22.483 1.00 41.44 C ATOM 0 H VAL A 10 1.274 7.577 -19.931 1.00 10.54 H new ATOM 0 HA VAL A 10 3.555 9.043 -19.830 1.00 34.12 H new ATOM 0 HB VAL A 10 2.843 7.894 -21.844 1.00 34.43 H new ATOM 0 HG11 VAL A 10 0.992 8.721 -23.238 1.00 51.42 H new ATOM 0 HG12 VAL A 10 0.432 8.220 -21.624 1.00 51.42 H new ATOM 0 HG13 VAL A 10 0.617 9.949 -22.005 1.00 51.42 H new ATOM 0 HG21 VAL A 10 3.272 9.621 -23.543 1.00 41.44 H new ATOM 0 HG22 VAL A 10 2.993 10.886 -22.323 1.00 41.44 H new ATOM 0 HG23 VAL A 10 4.372 9.774 -22.153 1.00 41.44 H new ATOM 166 N GLY A 11 0.903 11.008 -20.002 1.00 3.51 N ATOM 167 CA GLY A 11 0.464 12.379 -19.813 1.00 62.32 C ATOM 168 C GLY A 11 1.176 13.348 -20.737 1.00 35.25 C ATOM 169 O GLY A 11 1.613 12.973 -21.825 1.00 12.42 O ATOM 0 H GLY A 11 0.152 10.334 -20.152 1.00 3.51 H new ATOM 0 HA2 GLY A 11 -0.611 12.440 -19.985 1.00 62.32 H new ATOM 0 HA3 GLY A 11 0.638 12.674 -18.778 1.00 62.32 H new ATOM 173 N LYS A 12 1.291 14.599 -20.303 1.00 60.43 N ATOM 174 CA LYS A 12 1.954 15.626 -21.098 1.00 33.10 C ATOM 175 C LYS A 12 3.446 15.336 -21.227 1.00 13.13 C ATOM 176 O LYS A 12 3.886 14.202 -21.043 1.00 53.03 O ATOM 177 CB LYS A 12 1.744 17.004 -20.466 1.00 34.45 C ATOM 178 CG LYS A 12 0.316 17.253 -20.012 1.00 12.15 C ATOM 179 CD LYS A 12 -0.672 17.067 -21.151 1.00 32.43 C ATOM 180 CE LYS A 12 -1.997 17.753 -20.857 1.00 75.21 C ATOM 181 NZ LYS A 12 -2.110 19.064 -21.555 1.00 31.52 N ATOM 0 H LYS A 12 0.934 14.926 -19.405 1.00 60.43 H new ATOM 0 HA LYS A 12 1.513 15.619 -22.095 1.00 33.10 H new ATOM 0 HB2 LYS A 12 2.412 17.108 -19.611 1.00 34.45 H new ATOM 0 HB3 LYS A 12 2.027 17.772 -21.186 1.00 34.45 H new ATOM 0 HG2 LYS A 12 0.068 16.571 -19.199 1.00 12.15 H new ATOM 0 HG3 LYS A 12 0.230 18.265 -19.617 1.00 12.15 H new ATOM 0 HD2 LYS A 12 -0.249 17.470 -22.071 1.00 32.43 H new ATOM 0 HD3 LYS A 12 -0.841 16.003 -21.317 1.00 32.43 H new ATOM 0 HE2 LYS A 12 -2.818 17.105 -21.166 1.00 75.21 H new ATOM 0 HE3 LYS A 12 -2.097 17.904 -19.782 1.00 75.21 H new ATOM 0 HZ1 LYS A 12 -3.027 19.500 -21.329 1.00 31.52 H new ATOM 0 HZ2 LYS A 12 -1.342 19.691 -21.242 1.00 31.52 H new ATOM 0 HZ3 LYS A 12 -2.040 18.918 -22.582 1.00 31.52 H new ATOM 195 N GLY A 13 4.220 16.370 -21.542 1.00 50.12 N ATOM 196 CA GLY A 13 5.654 16.205 -21.688 1.00 44.35 C ATOM 197 C GLY A 13 6.046 15.740 -23.077 1.00 31.11 C ATOM 198 O GLY A 13 5.186 15.493 -23.923 1.00 22.11 O ATOM 0 H GLY A 13 3.879 17.319 -21.699 1.00 50.12 H new ATOM 0 HA2 GLY A 13 6.149 17.152 -21.472 1.00 44.35 H new ATOM 0 HA3 GLY A 13 6.010 15.484 -20.953 1.00 44.35 H new ATOM 202 N LYS A 14 7.348 15.621 -23.314 1.00 72.00 N ATOM 203 CA LYS A 14 7.853 15.183 -24.610 1.00 21.44 C ATOM 204 C LYS A 14 7.282 13.819 -24.983 1.00 75.25 C ATOM 205 O LYS A 14 7.024 13.543 -26.155 1.00 1.22 O ATOM 206 CB LYS A 14 9.382 15.118 -24.589 1.00 0.34 C ATOM 207 CG LYS A 14 10.051 16.427 -24.971 1.00 2.22 C ATOM 208 CD LYS A 14 10.264 17.319 -23.759 1.00 45.02 C ATOM 209 CE LYS A 14 11.141 18.516 -24.095 1.00 73.05 C ATOM 210 NZ LYS A 14 12.465 18.442 -23.418 1.00 33.10 N ATOM 0 H LYS A 14 8.073 15.822 -22.625 1.00 72.00 H new ATOM 0 HA LYS A 14 7.536 15.908 -25.359 1.00 21.44 H new ATOM 0 HB2 LYS A 14 9.711 14.829 -23.591 1.00 0.34 H new ATOM 0 HB3 LYS A 14 9.714 14.337 -25.273 1.00 0.34 H new ATOM 0 HG2 LYS A 14 11.010 16.221 -25.446 1.00 2.22 H new ATOM 0 HG3 LYS A 14 9.438 16.949 -25.705 1.00 2.22 H new ATOM 0 HD2 LYS A 14 9.300 17.666 -23.387 1.00 45.02 H new ATOM 0 HD3 LYS A 14 10.726 16.742 -22.958 1.00 45.02 H new ATOM 0 HE2 LYS A 14 11.287 18.567 -25.174 1.00 73.05 H new ATOM 0 HE3 LYS A 14 10.632 19.433 -23.798 1.00 73.05 H new ATOM 0 HZ1 LYS A 14 13.032 19.276 -23.673 1.00 33.10 H new ATOM 0 HZ2 LYS A 14 12.327 18.419 -22.387 1.00 33.10 H new ATOM 0 HZ3 LYS A 14 12.962 17.580 -23.720 1.00 33.10 H new ATOM 224 N ALA A 15 7.084 12.970 -23.980 1.00 62.32 N ATOM 225 CA ALA A 15 6.540 11.636 -24.204 1.00 14.32 C ATOM 226 C ALA A 15 7.276 10.925 -25.334 1.00 54.24 C ATOM 227 O ALA A 15 6.669 10.526 -26.328 1.00 40.34 O ATOM 228 CB ALA A 15 5.051 11.718 -24.510 1.00 5.52 C ATOM 0 H ALA A 15 7.292 13.182 -23.004 1.00 62.32 H new ATOM 0 HA ALA A 15 6.681 11.055 -23.292 1.00 14.32 H new ATOM 0 HB1 ALA A 15 4.658 10.715 -24.675 1.00 5.52 H new ATOM 0 HB2 ALA A 15 4.532 12.178 -23.669 1.00 5.52 H new ATOM 0 HB3 ALA A 15 4.896 12.320 -25.405 1.00 5.52 H new ATOM 234 N SER A 16 8.586 10.771 -25.176 1.00 22.41 N ATOM 235 CA SER A 16 9.406 10.111 -26.186 1.00 12.41 C ATOM 236 C SER A 16 10.560 9.353 -25.538 1.00 63.23 C ATOM 237 O SER A 16 11.622 9.184 -26.139 1.00 32.12 O ATOM 238 CB SER A 16 9.950 11.138 -27.181 1.00 72.03 C ATOM 239 OG SER A 16 10.207 10.541 -28.440 1.00 63.23 O ATOM 0 H SER A 16 9.103 11.094 -24.358 1.00 22.41 H new ATOM 0 HA SER A 16 8.779 9.396 -26.718 1.00 12.41 H new ATOM 0 HB2 SER A 16 9.232 11.950 -27.300 1.00 72.03 H new ATOM 0 HB3 SER A 16 10.867 11.578 -26.790 1.00 72.03 H new ATOM 0 HG SER A 16 10.552 11.218 -29.059 1.00 63.23 H new ATOM 245 N PHE A 17 10.345 8.897 -24.309 1.00 11.54 N ATOM 246 CA PHE A 17 11.367 8.157 -23.577 1.00 52.44 C ATOM 247 C PHE A 17 10.863 6.769 -23.194 1.00 62.12 C ATOM 248 O PHE A 17 9.659 6.511 -23.190 1.00 51.15 O ATOM 249 CB PHE A 17 11.783 8.926 -22.321 1.00 54.04 C ATOM 250 CG PHE A 17 13.261 8.893 -22.060 1.00 63.53 C ATOM 251 CD1 PHE A 17 13.828 7.851 -21.343 1.00 40.20 C ATOM 252 CD2 PHE A 17 14.085 9.902 -22.532 1.00 73.14 C ATOM 253 CE1 PHE A 17 15.188 7.818 -21.101 1.00 3.53 C ATOM 254 CE2 PHE A 17 15.446 9.874 -22.294 1.00 11.35 C ATOM 255 CZ PHE A 17 15.998 8.831 -21.578 1.00 24.55 C ATOM 0 H PHE A 17 9.472 9.027 -23.798 1.00 11.54 H new ATOM 0 HA PHE A 17 12.234 8.043 -24.228 1.00 52.44 H new ATOM 0 HB2 PHE A 17 11.462 9.963 -22.417 1.00 54.04 H new ATOM 0 HB3 PHE A 17 11.261 8.509 -21.460 1.00 54.04 H new ATOM 0 HD1 PHE A 17 13.200 7.056 -20.969 1.00 40.20 H new ATOM 0 HD2 PHE A 17 13.658 10.720 -23.093 1.00 73.14 H new ATOM 0 HE1 PHE A 17 15.618 7.001 -20.540 1.00 3.53 H new ATOM 0 HE2 PHE A 17 16.077 10.667 -22.668 1.00 11.35 H new ATOM 0 HZ PHE A 17 17.061 8.807 -21.391 1.00 24.55 H new ATOM 265 N THR A 18 11.794 5.876 -22.872 1.00 43.24 N ATOM 266 CA THR A 18 11.447 4.514 -22.489 1.00 72.45 C ATOM 267 C THR A 18 11.665 4.289 -20.998 1.00 3.14 C ATOM 268 O THR A 18 12.767 4.486 -20.485 1.00 42.45 O ATOM 269 CB THR A 18 12.272 3.480 -23.279 1.00 4.31 C ATOM 270 OG1 THR A 18 13.196 4.149 -24.145 1.00 0.53 O ATOM 271 CG2 THR A 18 11.365 2.575 -24.099 1.00 3.31 C ATOM 0 H THR A 18 12.795 6.073 -22.869 1.00 43.24 H new ATOM 0 HA THR A 18 10.391 4.380 -22.723 1.00 72.45 H new ATOM 0 HB THR A 18 12.822 2.866 -22.566 1.00 4.31 H new ATOM 0 HG1 THR A 18 13.718 3.485 -24.642 1.00 0.53 H new ATOM 0 HG21 THR A 18 11.971 1.854 -24.648 1.00 3.31 H new ATOM 0 HG22 THR A 18 10.683 2.045 -23.434 1.00 3.31 H new ATOM 0 HG23 THR A 18 10.791 3.177 -24.803 1.00 3.31 H new ATOM 279 N ARG A 19 10.609 3.875 -20.305 1.00 61.24 N ATOM 280 CA ARG A 19 10.686 3.624 -18.871 1.00 61.23 C ATOM 281 C ARG A 19 10.211 2.212 -18.540 1.00 52.21 C ATOM 282 O ARG A 19 9.791 1.464 -19.424 1.00 1.34 O ATOM 283 CB ARG A 19 9.846 4.649 -18.107 1.00 23.22 C ATOM 284 CG ARG A 19 10.567 5.964 -17.860 1.00 53.23 C ATOM 285 CD ARG A 19 10.953 6.641 -19.166 1.00 50.11 C ATOM 286 NE ARG A 19 10.940 8.097 -19.053 1.00 12.02 N ATOM 287 CZ ARG A 19 11.987 8.813 -18.660 1.00 4.10 C ATOM 288 NH1 ARG A 19 13.126 8.211 -18.345 1.00 72.31 N ATOM 289 NH2 ARG A 19 11.898 10.135 -18.582 1.00 73.30 N ATOM 0 H ARG A 19 9.690 3.706 -20.714 1.00 61.24 H new ATOM 0 HA ARG A 19 11.728 3.719 -18.566 1.00 61.23 H new ATOM 0 HB2 ARG A 19 8.931 4.845 -18.666 1.00 23.22 H new ATOM 0 HB3 ARG A 19 9.549 4.222 -17.149 1.00 23.22 H new ATOM 0 HG2 ARG A 19 9.926 6.628 -17.280 1.00 53.23 H new ATOM 0 HG3 ARG A 19 11.462 5.783 -17.264 1.00 53.23 H new ATOM 0 HD2 ARG A 19 11.947 6.310 -19.466 1.00 50.11 H new ATOM 0 HD3 ARG A 19 10.264 6.332 -19.952 1.00 50.11 H new ATOM 0 HE ARG A 19 10.079 8.591 -19.289 1.00 12.02 H new ATOM 0 HH11 ARG A 19 13.199 7.195 -18.404 1.00 72.31 H new ATOM 0 HH12 ARG A 19 13.929 8.764 -18.043 1.00 72.31 H new ATOM 0 HH21 ARG A 19 11.024 10.603 -18.824 1.00 73.30 H new ATOM 0 HH22 ARG A 19 12.703 10.683 -18.280 1.00 73.30 H new ATOM 303 N TYR A 20 10.280 1.855 -17.263 1.00 23.23 N ATOM 304 CA TYR A 20 9.860 0.532 -16.815 1.00 40.31 C ATOM 305 C TYR A 20 8.646 0.628 -15.896 1.00 5.44 C ATOM 306 O TYR A 20 8.398 1.667 -15.283 1.00 2.20 O ATOM 307 CB TYR A 20 11.008 -0.173 -16.091 1.00 1.32 C ATOM 308 CG TYR A 20 12.140 -0.582 -17.005 1.00 64.23 C ATOM 309 CD1 TYR A 20 12.899 0.370 -17.674 1.00 52.43 C ATOM 310 CD2 TYR A 20 12.452 -1.922 -17.200 1.00 24.35 C ATOM 311 CE1 TYR A 20 13.934 0.001 -18.511 1.00 74.53 C ATOM 312 CE2 TYR A 20 13.486 -2.301 -18.034 1.00 25.34 C ATOM 313 CZ TYR A 20 14.224 -1.336 -18.688 1.00 33.35 C ATOM 314 OH TYR A 20 15.255 -1.709 -19.519 1.00 53.24 O ATOM 0 H TYR A 20 10.623 2.463 -16.519 1.00 23.23 H new ATOM 0 HA TYR A 20 9.582 -0.050 -17.694 1.00 40.31 H new ATOM 0 HB2 TYR A 20 11.398 0.488 -15.317 1.00 1.32 H new ATOM 0 HB3 TYR A 20 10.620 -1.059 -15.588 1.00 1.32 H new ATOM 0 HD1 TYR A 20 12.676 1.418 -17.537 1.00 52.43 H new ATOM 0 HD2 TYR A 20 11.876 -2.680 -16.691 1.00 24.35 H new ATOM 0 HE1 TYR A 20 14.513 0.755 -19.024 1.00 74.53 H new ATOM 0 HE2 TYR A 20 13.715 -3.347 -18.173 1.00 25.34 H new ATOM 0 HH TYR A 20 15.327 -2.686 -19.532 1.00 53.24 H new ATOM 324 N TYR A 21 7.894 -0.462 -15.804 1.00 62.51 N ATOM 325 CA TYR A 21 6.705 -0.502 -14.961 1.00 61.43 C ATOM 326 C TYR A 21 6.393 -1.931 -14.527 1.00 22.24 C ATOM 327 O TYR A 21 6.426 -2.859 -15.335 1.00 22.42 O ATOM 328 CB TYR A 21 5.507 0.089 -15.705 1.00 52.24 C ATOM 329 CG TYR A 21 4.944 -0.825 -16.770 1.00 41.35 C ATOM 330 CD1 TYR A 21 5.585 -0.974 -17.994 1.00 71.43 C ATOM 331 CD2 TYR A 21 3.771 -1.537 -16.554 1.00 24.43 C ATOM 332 CE1 TYR A 21 5.074 -1.808 -18.971 1.00 3.32 C ATOM 333 CE2 TYR A 21 3.254 -2.374 -17.524 1.00 23.02 C ATOM 334 CZ TYR A 21 3.909 -2.506 -18.731 1.00 1.44 C ATOM 335 OH TYR A 21 3.396 -3.337 -19.700 1.00 45.10 O ATOM 0 H TYR A 21 8.086 -1.331 -16.303 1.00 62.51 H new ATOM 0 HA TYR A 21 6.902 0.095 -14.070 1.00 61.43 H new ATOM 0 HB2 TYR A 21 4.722 0.321 -14.986 1.00 52.24 H new ATOM 0 HB3 TYR A 21 5.805 1.030 -16.167 1.00 52.24 H new ATOM 0 HD1 TYR A 21 6.498 -0.429 -18.185 1.00 71.43 H new ATOM 0 HD2 TYR A 21 3.254 -1.434 -15.611 1.00 24.43 H new ATOM 0 HE1 TYR A 21 5.584 -1.912 -19.917 1.00 3.32 H new ATOM 0 HE2 TYR A 21 2.342 -2.922 -17.338 1.00 23.02 H new ATOM 0 HH TYR A 21 2.573 -3.754 -19.371 1.00 45.10 H new ATOM 345 N TYR A 22 6.090 -2.099 -13.244 1.00 72.33 N ATOM 346 CA TYR A 22 5.773 -3.414 -12.700 1.00 23.32 C ATOM 347 C TYR A 22 4.264 -3.624 -12.625 1.00 0.14 C ATOM 348 O TYR A 22 3.509 -2.689 -12.363 1.00 53.35 O ATOM 349 CB TYR A 22 6.392 -3.577 -11.310 1.00 51.53 C ATOM 350 CG TYR A 22 6.994 -4.943 -11.071 1.00 52.22 C ATOM 351 CD1 TYR A 22 6.186 -6.047 -10.829 1.00 61.01 C ATOM 352 CD2 TYR A 22 8.371 -5.130 -11.088 1.00 53.54 C ATOM 353 CE1 TYR A 22 6.732 -7.297 -10.609 1.00 50.24 C ATOM 354 CE2 TYR A 22 8.925 -6.376 -10.871 1.00 62.02 C ATOM 355 CZ TYR A 22 8.102 -7.456 -10.632 1.00 32.34 C ATOM 356 OH TYR A 22 8.649 -8.700 -10.415 1.00 4.04 O ATOM 0 H TYR A 22 6.057 -1.341 -12.562 1.00 72.33 H new ATOM 0 HA TYR A 22 6.193 -4.166 -13.368 1.00 23.32 H new ATOM 0 HB2 TYR A 22 7.165 -2.820 -11.175 1.00 51.53 H new ATOM 0 HB3 TYR A 22 5.627 -3.390 -10.557 1.00 51.53 H new ATOM 0 HD1 TYR A 22 5.113 -5.926 -10.813 1.00 61.01 H new ATOM 0 HD2 TYR A 22 9.019 -4.286 -11.274 1.00 53.54 H new ATOM 0 HE1 TYR A 22 6.090 -8.145 -10.420 1.00 50.24 H new ATOM 0 HE2 TYR A 22 9.997 -6.504 -10.888 1.00 62.02 H new ATOM 0 HH TYR A 22 8.071 -9.385 -10.812 1.00 4.04 H new ATOM 366 N ASN A 23 3.833 -4.860 -12.855 1.00 13.20 N ATOM 367 CA ASN A 23 2.414 -5.194 -12.814 1.00 33.25 C ATOM 368 C ASN A 23 2.182 -6.486 -12.035 1.00 12.41 C ATOM 369 O ASN A 23 3.052 -7.354 -11.981 1.00 1.41 O ATOM 370 CB ASN A 23 1.860 -5.335 -14.233 1.00 11.22 C ATOM 371 CG ASN A 23 2.949 -5.600 -15.255 1.00 34.03 C ATOM 372 OD1 ASN A 23 3.560 -4.671 -15.782 1.00 3.32 O ATOM 373 ND2 ASN A 23 3.195 -6.873 -15.539 1.00 62.53 N ATOM 0 H ASN A 23 4.446 -5.646 -13.072 1.00 13.20 H new ATOM 0 HA ASN A 23 1.890 -4.384 -12.306 1.00 33.25 H new ATOM 0 HB2 ASN A 23 1.136 -6.149 -14.258 1.00 11.22 H new ATOM 0 HB3 ASN A 23 1.325 -4.425 -14.504 1.00 11.22 H new ATOM 0 HD21 ASN A 23 3.916 -7.114 -16.219 1.00 62.53 H new ATOM 0 HD22 ASN A 23 2.663 -7.611 -15.077 1.00 62.53 H new ATOM 380 N GLU A 24 1.002 -6.604 -11.434 1.00 72.21 N ATOM 381 CA GLU A 24 0.656 -7.790 -10.658 1.00 40.54 C ATOM 382 C GLU A 24 0.049 -8.867 -11.553 1.00 11.24 C ATOM 383 O GLU A 24 0.317 -8.915 -12.753 1.00 13.44 O ATOM 384 CB GLU A 24 -0.324 -7.427 -9.541 1.00 11.12 C ATOM 385 CG GLU A 24 -0.030 -8.125 -8.223 1.00 53.44 C ATOM 386 CD GLU A 24 1.280 -7.676 -7.605 1.00 73.12 C ATOM 387 OE1 GLU A 24 1.344 -6.528 -7.117 1.00 70.54 O ATOM 388 OE2 GLU A 24 2.241 -8.474 -7.609 1.00 53.22 O ATOM 0 H GLU A 24 0.270 -5.894 -11.469 1.00 72.21 H new ATOM 0 HA GLU A 24 1.571 -8.183 -10.215 1.00 40.54 H new ATOM 0 HB2 GLU A 24 -0.300 -6.349 -9.385 1.00 11.12 H new ATOM 0 HB3 GLU A 24 -1.335 -7.681 -9.859 1.00 11.12 H new ATOM 0 HG2 GLU A 24 -0.843 -7.930 -7.524 1.00 53.44 H new ATOM 0 HG3 GLU A 24 -0.000 -9.202 -8.385 1.00 53.44 H new ATOM 395 N GLU A 25 -0.769 -9.729 -10.958 1.00 33.42 N ATOM 396 CA GLU A 25 -1.413 -10.807 -11.700 1.00 51.21 C ATOM 397 C GLU A 25 -0.381 -11.810 -12.207 1.00 33.40 C ATOM 398 O GLU A 25 -0.696 -12.689 -13.010 1.00 13.22 O ATOM 399 CB GLU A 25 -2.210 -10.240 -12.877 1.00 33.02 C ATOM 400 CG GLU A 25 -3.680 -10.625 -12.858 1.00 11.43 C ATOM 401 CD GLU A 25 -4.481 -9.924 -13.938 1.00 44.42 C ATOM 402 OE1 GLU A 25 -3.896 -9.090 -14.662 1.00 72.52 O ATOM 403 OE2 GLU A 25 -5.690 -10.208 -14.060 1.00 14.44 O ATOM 0 H GLU A 25 -1.002 -9.702 -9.965 1.00 33.42 H new ATOM 0 HA GLU A 25 -2.094 -11.323 -11.024 1.00 51.21 H new ATOM 0 HB2 GLU A 25 -2.128 -9.153 -12.871 1.00 33.02 H new ATOM 0 HB3 GLU A 25 -1.764 -10.588 -13.809 1.00 33.02 H new ATOM 0 HG2 GLU A 25 -3.771 -11.704 -12.986 1.00 11.43 H new ATOM 0 HG3 GLU A 25 -4.102 -10.383 -11.883 1.00 11.43 H new ATOM 410 N SER A 26 0.853 -11.673 -11.732 1.00 55.53 N ATOM 411 CA SER A 26 1.932 -12.564 -12.140 1.00 44.41 C ATOM 412 C SER A 26 3.272 -12.079 -11.594 1.00 41.34 C ATOM 413 O SER A 26 4.198 -12.866 -11.400 1.00 54.43 O ATOM 414 CB SER A 26 1.995 -12.659 -13.666 1.00 33.13 C ATOM 415 OG SER A 26 3.270 -13.100 -14.097 1.00 63.24 O ATOM 0 H SER A 26 1.130 -10.953 -11.064 1.00 55.53 H new ATOM 0 HA SER A 26 1.728 -13.553 -11.730 1.00 44.41 H new ATOM 0 HB2 SER A 26 1.229 -13.348 -14.023 1.00 33.13 H new ATOM 0 HB3 SER A 26 1.777 -11.685 -14.103 1.00 33.13 H new ATOM 0 HG SER A 26 3.175 -13.937 -14.598 1.00 63.24 H new ATOM 421 N GLY A 27 3.367 -10.775 -11.349 1.00 24.30 N ATOM 422 CA GLY A 27 4.597 -10.206 -10.828 1.00 73.44 C ATOM 423 C GLY A 27 5.673 -10.082 -11.889 1.00 14.12 C ATOM 424 O GLY A 27 6.759 -10.644 -11.751 1.00 3.01 O ATOM 0 H GLY A 27 2.615 -10.103 -11.502 1.00 24.30 H new ATOM 0 HA2 GLY A 27 4.389 -9.222 -10.409 1.00 73.44 H new ATOM 0 HA3 GLY A 27 4.965 -10.829 -10.013 1.00 73.44 H new ATOM 428 N LYS A 28 5.371 -9.345 -12.952 1.00 54.41 N ATOM 429 CA LYS A 28 6.319 -9.148 -14.042 1.00 2.33 C ATOM 430 C LYS A 28 6.543 -7.662 -14.307 1.00 33.32 C ATOM 431 O LYS A 28 5.765 -6.818 -13.861 1.00 50.24 O ATOM 432 CB LYS A 28 5.816 -9.833 -15.314 1.00 32.51 C ATOM 433 CG LYS A 28 5.248 -11.221 -15.073 1.00 21.53 C ATOM 434 CD LYS A 28 6.306 -12.171 -14.535 1.00 13.34 C ATOM 435 CE LYS A 28 5.999 -13.614 -14.904 1.00 11.02 C ATOM 436 NZ LYS A 28 5.805 -14.466 -13.698 1.00 3.23 N ATOM 0 H LYS A 28 4.476 -8.874 -13.082 1.00 54.41 H new ATOM 0 HA LYS A 28 7.269 -9.594 -13.748 1.00 2.33 H new ATOM 0 HB2 LYS A 28 5.048 -9.210 -15.773 1.00 32.51 H new ATOM 0 HB3 LYS A 28 6.637 -9.904 -16.027 1.00 32.51 H new ATOM 0 HG2 LYS A 28 4.420 -11.159 -14.366 1.00 21.53 H new ATOM 0 HG3 LYS A 28 4.843 -11.616 -16.005 1.00 21.53 H new ATOM 0 HD2 LYS A 28 7.282 -11.893 -14.932 1.00 13.34 H new ATOM 0 HD3 LYS A 28 6.364 -12.076 -13.451 1.00 13.34 H new ATOM 0 HE2 LYS A 28 5.101 -13.648 -15.521 1.00 11.02 H new ATOM 0 HE3 LYS A 28 6.814 -14.016 -15.505 1.00 11.02 H new ATOM 0 HZ1 LYS A 28 5.969 -15.462 -13.947 1.00 3.23 H new ATOM 0 HZ2 LYS A 28 6.477 -14.179 -12.958 1.00 3.23 H new ATOM 0 HZ3 LYS A 28 4.833 -14.352 -13.345 1.00 3.23 H new ATOM 450 N CYS A 29 7.609 -7.350 -15.036 1.00 10.24 N ATOM 451 CA CYS A 29 7.935 -5.967 -15.361 1.00 54.43 C ATOM 452 C CYS A 29 8.143 -5.796 -16.863 1.00 53.04 C ATOM 453 O CYS A 29 8.649 -6.694 -17.535 1.00 52.14 O ATOM 454 CB CYS A 29 9.191 -5.526 -14.608 1.00 1.51 C ATOM 455 SG CYS A 29 9.680 -3.799 -14.924 1.00 31.32 S ATOM 0 H CYS A 29 8.262 -8.037 -15.413 1.00 10.24 H new ATOM 0 HA CYS A 29 7.097 -5.341 -15.054 1.00 54.43 H new ATOM 0 HB2 CYS A 29 9.025 -5.655 -13.539 1.00 1.51 H new ATOM 0 HB3 CYS A 29 10.016 -6.182 -14.884 1.00 1.51 H new ATOM 460 N GLU A 30 7.749 -4.637 -17.382 1.00 35.10 N ATOM 461 CA GLU A 30 7.891 -4.349 -18.804 1.00 65.53 C ATOM 462 C GLU A 30 8.369 -2.917 -19.024 1.00 64.04 C ATOM 463 O GLU A 30 8.669 -2.196 -18.072 1.00 20.43 O ATOM 464 CB GLU A 30 6.562 -4.572 -19.529 1.00 21.25 C ATOM 465 CG GLU A 30 6.352 -6.005 -19.988 1.00 32.23 C ATOM 466 CD GLU A 30 7.082 -6.317 -21.279 1.00 64.13 C ATOM 467 OE1 GLU A 30 7.491 -5.365 -21.975 1.00 42.54 O ATOM 468 OE2 GLU A 30 7.245 -7.515 -21.594 1.00 5.14 O ATOM 0 H GLU A 30 7.329 -3.883 -16.839 1.00 35.10 H new ATOM 0 HA GLU A 30 8.637 -5.030 -19.213 1.00 65.53 H new ATOM 0 HB2 GLU A 30 5.744 -4.288 -18.867 1.00 21.25 H new ATOM 0 HB3 GLU A 30 6.515 -3.911 -20.395 1.00 21.25 H new ATOM 0 HG2 GLU A 30 6.693 -6.686 -19.208 1.00 32.23 H new ATOM 0 HG3 GLU A 30 5.286 -6.186 -20.125 1.00 32.23 H new ATOM 475 N THR A 31 8.439 -2.510 -20.288 1.00 71.12 N ATOM 476 CA THR A 31 8.882 -1.166 -20.635 1.00 13.41 C ATOM 477 C THR A 31 7.948 -0.526 -21.656 1.00 44.33 C ATOM 478 O THR A 31 7.381 -1.210 -22.508 1.00 60.11 O ATOM 479 CB THR A 31 10.315 -1.174 -21.200 1.00 75.33 C ATOM 480 OG1 THR A 31 10.530 -2.362 -21.971 1.00 52.31 O ATOM 481 CG2 THR A 31 11.339 -1.099 -20.079 1.00 3.05 C ATOM 0 H THR A 31 8.194 -3.093 -21.088 1.00 71.12 H new ATOM 0 HA THR A 31 8.866 -0.581 -19.715 1.00 13.41 H new ATOM 0 HB THR A 31 10.435 -0.299 -21.839 1.00 75.33 H new ATOM 0 HG1 THR A 31 11.442 -2.359 -22.328 1.00 52.31 H new ATOM 0 HG21 THR A 31 12.343 -1.106 -20.503 1.00 3.05 H new ATOM 0 HG22 THR A 31 11.191 -0.180 -19.512 1.00 3.05 H new ATOM 0 HG23 THR A 31 11.218 -1.957 -19.418 1.00 3.05 H new ATOM 489 N PHE A 32 7.794 0.791 -21.566 1.00 51.13 N ATOM 490 CA PHE A 32 6.928 1.524 -22.483 1.00 65.23 C ATOM 491 C PHE A 32 7.474 2.925 -22.743 1.00 72.13 C ATOM 492 O PHE A 32 8.509 3.310 -22.199 1.00 12.51 O ATOM 493 CB PHE A 32 5.510 1.613 -21.917 1.00 53.43 C ATOM 494 CG PHE A 32 5.411 2.456 -20.678 1.00 52.20 C ATOM 495 CD1 PHE A 32 5.990 2.037 -19.491 1.00 41.12 C ATOM 496 CD2 PHE A 32 4.738 3.667 -20.700 1.00 1.32 C ATOM 497 CE1 PHE A 32 5.901 2.810 -18.349 1.00 2.40 C ATOM 498 CE2 PHE A 32 4.646 4.445 -19.561 1.00 64.00 C ATOM 499 CZ PHE A 32 5.228 4.016 -18.384 1.00 35.51 C ATOM 0 H PHE A 32 8.257 1.373 -20.868 1.00 51.13 H new ATOM 0 HA PHE A 32 6.900 0.983 -23.429 1.00 65.23 H new ATOM 0 HB2 PHE A 32 4.848 2.023 -22.680 1.00 53.43 H new ATOM 0 HB3 PHE A 32 5.153 0.608 -21.692 1.00 53.43 H new ATOM 0 HD1 PHE A 32 6.517 1.095 -19.458 1.00 41.12 H new ATOM 0 HD2 PHE A 32 4.280 4.007 -21.617 1.00 1.32 H new ATOM 0 HE1 PHE A 32 6.357 2.472 -17.430 1.00 2.40 H new ATOM 0 HE2 PHE A 32 4.120 5.387 -19.591 1.00 64.00 H new ATOM 0 HZ PHE A 32 5.157 4.622 -17.493 1.00 35.51 H new ATOM 509 N ILE A 33 6.770 3.681 -23.579 1.00 44.32 N ATOM 510 CA ILE A 33 7.183 5.039 -23.911 1.00 41.23 C ATOM 511 C ILE A 33 6.611 6.046 -22.919 1.00 23.22 C ATOM 512 O ILE A 33 5.437 6.408 -22.993 1.00 51.21 O ATOM 513 CB ILE A 33 6.741 5.430 -25.334 1.00 31.01 C ATOM 514 CG1 ILE A 33 7.072 4.309 -26.321 1.00 24.54 C ATOM 515 CG2 ILE A 33 7.408 6.730 -25.758 1.00 20.05 C ATOM 516 CD1 ILE A 33 5.925 3.351 -26.555 1.00 53.53 C ATOM 0 H ILE A 33 5.912 3.376 -24.038 1.00 44.32 H new ATOM 0 HA ILE A 33 8.272 5.059 -23.859 1.00 41.23 H new ATOM 0 HB ILE A 33 5.662 5.581 -25.334 1.00 31.01 H new ATOM 0 HG12 ILE A 33 7.366 4.750 -27.273 1.00 24.54 H new ATOM 0 HG13 ILE A 33 7.931 3.751 -25.949 1.00 24.54 H new ATOM 0 HG21 ILE A 33 7.086 6.993 -26.766 1.00 20.05 H new ATOM 0 HG22 ILE A 33 7.126 7.525 -25.068 1.00 20.05 H new ATOM 0 HG23 ILE A 33 8.491 6.605 -25.745 1.00 20.05 H new ATOM 0 HD11 ILE A 33 6.231 2.583 -27.265 1.00 53.53 H new ATOM 0 HD12 ILE A 33 5.645 2.882 -25.612 1.00 53.53 H new ATOM 0 HD13 ILE A 33 5.071 3.897 -26.957 1.00 53.53 H new ATOM 528 N TYR A 34 7.449 6.495 -21.991 1.00 44.14 N ATOM 529 CA TYR A 34 7.028 7.460 -20.983 1.00 14.10 C ATOM 530 C TYR A 34 7.729 8.800 -21.184 1.00 23.12 C ATOM 531 O TYR A 34 8.826 8.862 -21.738 1.00 10.43 O ATOM 532 CB TYR A 34 7.319 6.924 -19.580 1.00 44.14 C ATOM 533 CG TYR A 34 6.883 7.856 -18.473 1.00 14.30 C ATOM 534 CD1 TYR A 34 5.539 8.148 -18.274 1.00 33.05 C ATOM 535 CD2 TYR A 34 7.813 8.446 -17.627 1.00 4.22 C ATOM 536 CE1 TYR A 34 5.135 9.000 -17.264 1.00 32.45 C ATOM 537 CE2 TYR A 34 7.419 9.298 -16.613 1.00 75.23 C ATOM 538 CZ TYR A 34 6.078 9.572 -16.436 1.00 24.42 C ATOM 539 OH TYR A 34 5.681 10.421 -15.428 1.00 62.53 O ATOM 0 H TYR A 34 8.424 6.206 -21.916 1.00 44.14 H new ATOM 0 HA TYR A 34 5.954 7.613 -21.090 1.00 14.10 H new ATOM 0 HB2 TYR A 34 6.816 5.965 -19.455 1.00 44.14 H new ATOM 0 HB3 TYR A 34 8.389 6.738 -19.486 1.00 44.14 H new ATOM 0 HD1 TYR A 34 4.798 7.701 -18.920 1.00 33.05 H new ATOM 0 HD2 TYR A 34 8.863 8.235 -17.764 1.00 4.22 H new ATOM 0 HE1 TYR A 34 4.086 9.217 -17.124 1.00 32.45 H new ATOM 0 HE2 TYR A 34 8.156 9.747 -15.963 1.00 75.23 H new ATOM 0 HH TYR A 34 5.558 11.323 -15.790 1.00 62.53 H new ATOM 549 N GLY A 35 7.087 9.871 -20.728 1.00 1.22 N ATOM 550 CA GLY A 35 7.663 11.196 -20.866 1.00 24.15 C ATOM 551 C GLY A 35 6.676 12.296 -20.528 1.00 63.40 C ATOM 552 O GLY A 35 6.128 12.942 -21.419 1.00 75.15 O ATOM 0 H GLY A 35 6.178 9.845 -20.265 1.00 1.22 H new ATOM 0 HA2 GLY A 35 8.533 11.280 -20.215 1.00 24.15 H new ATOM 0 HA3 GLY A 35 8.016 11.331 -21.888 1.00 24.15 H new ATOM 556 N GLY A 36 6.448 12.508 -19.235 1.00 70.14 N ATOM 557 CA GLY A 36 5.519 13.536 -18.805 1.00 53.34 C ATOM 558 C GLY A 36 5.854 14.083 -17.432 1.00 43.41 C ATOM 559 O GLY A 36 7.016 14.090 -17.025 1.00 42.03 O ATOM 0 H GLY A 36 6.890 11.986 -18.478 1.00 70.14 H new ATOM 0 HA2 GLY A 36 5.524 14.351 -19.528 1.00 53.34 H new ATOM 0 HA3 GLY A 36 4.509 13.126 -18.793 1.00 53.34 H new ATOM 563 N VAL A 37 4.835 14.546 -16.716 1.00 34.35 N ATOM 564 CA VAL A 37 5.027 15.098 -15.380 1.00 51.31 C ATOM 565 C VAL A 37 5.128 13.991 -14.337 1.00 13.44 C ATOM 566 O VAL A 37 5.095 12.807 -14.668 1.00 25.14 O ATOM 567 CB VAL A 37 3.878 16.049 -14.995 1.00 73.30 C ATOM 568 CG1 VAL A 37 4.384 17.157 -14.085 1.00 14.25 C ATOM 569 CG2 VAL A 37 3.225 16.627 -16.241 1.00 42.44 C ATOM 0 H VAL A 37 3.867 14.550 -17.039 1.00 34.35 H new ATOM 0 HA VAL A 37 5.961 15.659 -15.401 1.00 51.31 H new ATOM 0 HB VAL A 37 3.126 15.480 -14.450 1.00 73.30 H new ATOM 0 HG11 VAL A 37 3.558 17.819 -13.824 1.00 14.25 H new ATOM 0 HG12 VAL A 37 4.800 16.721 -13.177 1.00 14.25 H new ATOM 0 HG13 VAL A 37 5.157 17.727 -14.601 1.00 14.25 H new ATOM 0 HG21 VAL A 37 2.415 17.296 -15.950 1.00 42.44 H new ATOM 0 HG22 VAL A 37 3.966 17.182 -16.816 1.00 42.44 H new ATOM 0 HG23 VAL A 37 2.825 15.817 -16.851 1.00 42.44 H new ATOM 579 N GLY A 38 5.249 14.386 -13.073 1.00 5.13 N ATOM 580 CA GLY A 38 5.353 13.415 -11.999 1.00 53.20 C ATOM 581 C GLY A 38 4.237 12.390 -12.036 1.00 22.54 C ATOM 582 O GLY A 38 3.109 12.675 -11.637 1.00 31.31 O ATOM 0 H GLY A 38 5.277 15.361 -12.774 1.00 5.13 H new ATOM 0 HA2 GLY A 38 6.314 12.905 -12.066 1.00 53.20 H new ATOM 0 HA3 GLY A 38 5.334 13.934 -11.041 1.00 53.20 H new ATOM 586 N GLY A 39 4.553 11.191 -12.517 1.00 53.05 N ATOM 587 CA GLY A 39 3.557 10.138 -12.598 1.00 1.24 C ATOM 588 C GLY A 39 3.682 9.135 -11.469 1.00 23.35 C ATOM 589 O GLY A 39 4.639 9.175 -10.697 1.00 4.12 O ATOM 0 H GLY A 39 5.481 10.930 -12.852 1.00 53.05 H new ATOM 0 HA2 GLY A 39 2.561 10.581 -12.578 1.00 1.24 H new ATOM 0 HA3 GLY A 39 3.656 9.621 -13.552 1.00 1.24 H new ATOM 593 N ASN A 40 2.711 8.232 -11.371 1.00 5.24 N ATOM 594 CA ASN A 40 2.716 7.215 -10.326 1.00 22.24 C ATOM 595 C ASN A 40 4.000 6.392 -10.374 1.00 30.25 C ATOM 596 O ASN A 40 4.908 6.684 -11.152 1.00 30.33 O ATOM 597 CB ASN A 40 1.502 6.296 -10.474 1.00 61.22 C ATOM 598 CG ASN A 40 0.236 7.060 -10.812 1.00 23.14 C ATOM 599 OD1 ASN A 40 -0.178 7.116 -11.969 1.00 73.34 O ATOM 600 ND2 ASN A 40 -0.384 7.654 -9.799 1.00 21.45 N ATOM 0 H ASN A 40 1.911 8.184 -12.002 1.00 5.24 H new ATOM 0 HA ASN A 40 2.665 7.720 -9.362 1.00 22.24 H new ATOM 0 HB2 ASN A 40 1.699 5.561 -11.255 1.00 61.22 H new ATOM 0 HB3 ASN A 40 1.353 5.743 -9.546 1.00 61.22 H new ATOM 0 HD21 ASN A 40 -1.240 8.183 -9.965 1.00 21.45 H new ATOM 0 HD22 ASN A 40 -0.004 7.581 -8.855 1.00 21.45 H new ATOM 607 N SER A 41 4.068 5.362 -9.536 1.00 75.44 N ATOM 608 CA SER A 41 5.241 4.498 -9.481 1.00 31.34 C ATOM 609 C SER A 41 5.384 3.692 -10.768 1.00 43.23 C ATOM 610 O SER A 41 6.434 3.107 -11.034 1.00 15.51 O ATOM 611 CB SER A 41 5.147 3.552 -8.282 1.00 25.23 C ATOM 612 OG SER A 41 6.391 2.920 -8.033 1.00 21.15 O ATOM 0 H SER A 41 3.325 5.106 -8.886 1.00 75.44 H new ATOM 0 HA SER A 41 6.122 5.130 -9.369 1.00 31.34 H new ATOM 0 HB2 SER A 41 4.835 4.109 -7.399 1.00 25.23 H new ATOM 0 HB3 SER A 41 4.383 2.797 -8.469 1.00 25.23 H new ATOM 0 HG SER A 41 7.054 3.235 -8.683 1.00 21.15 H new ATOM 618 N ASN A 42 4.320 3.667 -11.565 1.00 4.14 N ATOM 619 CA ASN A 42 4.326 2.933 -12.825 1.00 2.21 C ATOM 620 C ASN A 42 5.451 3.421 -13.733 1.00 71.12 C ATOM 621 O ASN A 42 5.883 2.710 -14.640 1.00 14.03 O ATOM 622 CB ASN A 42 2.979 3.087 -13.535 1.00 25.23 C ATOM 623 CG ASN A 42 3.127 3.172 -15.042 1.00 35.53 C ATOM 624 OD1 ASN A 42 3.570 2.222 -15.688 1.00 21.04 O ATOM 625 ND2 ASN A 42 2.754 4.313 -15.609 1.00 72.21 N ATOM 0 H ASN A 42 3.443 4.146 -11.360 1.00 4.14 H new ATOM 0 HA ASN A 42 4.494 1.879 -12.603 1.00 2.21 H new ATOM 0 HB2 ASN A 42 2.339 2.241 -13.282 1.00 25.23 H new ATOM 0 HB3 ASN A 42 2.480 3.985 -13.170 1.00 25.23 H new ATOM 0 HD21 ASN A 42 2.829 4.429 -16.620 1.00 72.21 H new ATOM 0 HD22 ASN A 42 2.392 5.074 -15.034 1.00 72.21 H new ATOM 632 N ASN A 43 5.921 4.638 -13.482 1.00 40.42 N ATOM 633 CA ASN A 43 6.996 5.222 -14.277 1.00 73.41 C ATOM 634 C ASN A 43 8.336 5.091 -13.559 1.00 73.45 C ATOM 635 O ASN A 43 8.460 5.437 -12.385 1.00 15.44 O ATOM 636 CB ASN A 43 6.702 6.695 -14.567 1.00 72.13 C ATOM 637 CG ASN A 43 5.219 7.009 -14.518 1.00 41.23 C ATOM 638 OD1 ASN A 43 4.732 7.612 -13.562 1.00 23.05 O ATOM 639 ND2 ASN A 43 4.493 6.601 -15.553 1.00 23.55 N ATOM 0 H ASN A 43 5.575 5.239 -12.735 1.00 40.42 H new ATOM 0 HA ASN A 43 7.054 4.678 -15.220 1.00 73.41 H new ATOM 0 HB2 ASN A 43 7.226 7.317 -13.842 1.00 72.13 H new ATOM 0 HB3 ASN A 43 7.093 6.954 -15.551 1.00 72.13 H new ATOM 0 HD21 ASN A 43 3.490 6.785 -15.576 1.00 23.55 H new ATOM 0 HD22 ASN A 43 4.939 6.104 -16.324 1.00 23.55 H new ATOM 646 N PHE A 44 9.337 4.588 -14.274 1.00 50.45 N ATOM 647 CA PHE A 44 10.668 4.411 -13.707 1.00 3.15 C ATOM 648 C PHE A 44 11.741 4.537 -14.785 1.00 12.45 C ATOM 649 O PHE A 44 11.763 3.769 -15.747 1.00 42.43 O ATOM 650 CB PHE A 44 10.776 3.047 -13.021 1.00 41.24 C ATOM 651 CG PHE A 44 10.313 3.056 -11.593 1.00 35.33 C ATOM 652 CD1 PHE A 44 10.768 4.020 -10.708 1.00 44.14 C ATOM 653 CD2 PHE A 44 9.420 2.100 -11.134 1.00 65.22 C ATOM 654 CE1 PHE A 44 10.344 4.030 -9.393 1.00 60.42 C ATOM 655 CE2 PHE A 44 8.992 2.105 -9.820 1.00 61.41 C ATOM 656 CZ PHE A 44 9.454 3.072 -8.949 1.00 32.53 C ATOM 0 H PHE A 44 9.251 4.296 -15.247 1.00 50.45 H new ATOM 0 HA PHE A 44 10.827 5.196 -12.968 1.00 3.15 H new ATOM 0 HB2 PHE A 44 10.187 2.320 -13.581 1.00 41.24 H new ATOM 0 HB3 PHE A 44 11.813 2.713 -13.056 1.00 41.24 H new ATOM 0 HD1 PHE A 44 11.463 4.773 -11.050 1.00 44.14 H new ATOM 0 HD2 PHE A 44 9.054 1.342 -11.811 1.00 65.22 H new ATOM 0 HE1 PHE A 44 10.708 4.786 -8.713 1.00 60.42 H new ATOM 0 HE2 PHE A 44 8.297 1.354 -9.475 1.00 61.41 H new ATOM 0 HZ PHE A 44 9.120 3.079 -7.922 1.00 32.53 H new ATOM 666 N LEU A 45 12.628 5.512 -14.616 1.00 70.34 N ATOM 667 CA LEU A 45 13.704 5.741 -15.575 1.00 30.54 C ATOM 668 C LEU A 45 14.800 4.690 -15.424 1.00 53.11 C ATOM 669 O LEU A 45 15.812 4.728 -16.124 1.00 61.33 O ATOM 670 CB LEU A 45 14.293 7.139 -15.385 1.00 42.42 C ATOM 671 CG LEU A 45 13.317 8.222 -14.922 1.00 25.43 C ATOM 672 CD1 LEU A 45 13.395 8.400 -13.413 1.00 44.14 C ATOM 673 CD2 LEU A 45 13.603 9.537 -15.632 1.00 22.13 C ATOM 0 H LEU A 45 12.624 6.156 -13.825 1.00 70.34 H new ATOM 0 HA LEU A 45 13.286 5.663 -16.579 1.00 30.54 H new ATOM 0 HB2 LEU A 45 15.104 7.074 -14.659 1.00 42.42 H new ATOM 0 HB3 LEU A 45 14.735 7.456 -16.329 1.00 42.42 H new ATOM 0 HG LEU A 45 12.306 7.907 -15.179 1.00 25.43 H new ATOM 0 HD11 LEU A 45 12.694 9.174 -13.101 1.00 44.14 H new ATOM 0 HD12 LEU A 45 13.140 7.461 -12.922 1.00 44.14 H new ATOM 0 HD13 LEU A 45 14.407 8.693 -13.133 1.00 44.14 H new ATOM 0 HD21 LEU A 45 12.899 10.296 -15.290 1.00 22.13 H new ATOM 0 HD22 LEU A 45 14.620 9.858 -15.407 1.00 22.13 H new ATOM 0 HD23 LEU A 45 13.495 9.400 -16.708 1.00 22.13 H new ATOM 685 N THR A 46 14.590 3.751 -14.507 1.00 21.13 N ATOM 686 CA THR A 46 15.559 2.689 -14.265 1.00 13.22 C ATOM 687 C THR A 46 14.897 1.317 -14.323 1.00 12.32 C ATOM 688 O THR A 46 13.672 1.209 -14.379 1.00 14.21 O ATOM 689 CB THR A 46 16.247 2.857 -12.897 1.00 15.32 C ATOM 690 OG1 THR A 46 15.439 3.671 -12.039 1.00 52.21 O ATOM 691 CG2 THR A 46 17.621 3.489 -13.056 1.00 64.42 C ATOM 0 H THR A 46 13.757 3.704 -13.920 1.00 21.13 H new ATOM 0 HA THR A 46 16.310 2.761 -15.052 1.00 13.22 H new ATOM 0 HB THR A 46 16.368 1.869 -12.453 1.00 15.32 H new ATOM 0 HG1 THR A 46 16.015 4.161 -11.415 1.00 52.21 H new ATOM 0 HG21 THR A 46 18.087 3.597 -12.077 1.00 64.42 H new ATOM 0 HG22 THR A 46 18.243 2.853 -13.686 1.00 64.42 H new ATOM 0 HG23 THR A 46 17.519 4.470 -13.520 1.00 64.42 H new ATOM 699 N LYS A 47 15.714 0.270 -14.308 1.00 64.04 N ATOM 700 CA LYS A 47 15.209 -1.097 -14.357 1.00 53.33 C ATOM 701 C LYS A 47 14.958 -1.635 -12.952 1.00 52.32 C ATOM 702 O LYS A 47 13.835 -2.004 -12.611 1.00 72.54 O ATOM 703 CB LYS A 47 16.199 -2.003 -15.092 1.00 40.25 C ATOM 704 CG LYS A 47 15.576 -3.283 -15.621 1.00 35.14 C ATOM 705 CD LYS A 47 15.726 -4.426 -14.631 1.00 33.12 C ATOM 706 CE LYS A 47 16.974 -5.248 -14.914 1.00 34.31 C ATOM 707 NZ LYS A 47 16.667 -6.460 -15.723 1.00 65.31 N ATOM 0 H LYS A 47 16.730 0.342 -14.262 1.00 64.04 H new ATOM 0 HA LYS A 47 14.263 -1.089 -14.898 1.00 53.33 H new ATOM 0 HB2 LYS A 47 16.635 -1.450 -15.924 1.00 40.25 H new ATOM 0 HB3 LYS A 47 17.015 -2.259 -14.416 1.00 40.25 H new ATOM 0 HG2 LYS A 47 14.519 -3.116 -15.828 1.00 35.14 H new ATOM 0 HG3 LYS A 47 16.047 -3.555 -16.566 1.00 35.14 H new ATOM 0 HD2 LYS A 47 15.774 -4.027 -13.618 1.00 33.12 H new ATOM 0 HD3 LYS A 47 14.847 -5.069 -14.680 1.00 33.12 H new ATOM 0 HE2 LYS A 47 17.702 -4.633 -15.443 1.00 34.31 H new ATOM 0 HE3 LYS A 47 17.434 -5.547 -13.972 1.00 34.31 H new ATOM 0 HZ1 LYS A 47 17.543 -6.994 -15.895 1.00 65.31 H new ATOM 0 HZ2 LYS A 47 15.992 -7.060 -15.207 1.00 65.31 H new ATOM 0 HZ3 LYS A 47 16.252 -6.174 -16.633 1.00 65.31 H new ATOM 721 N GLU A 48 16.011 -1.674 -12.141 1.00 53.35 N ATOM 722 CA GLU A 48 15.902 -2.166 -10.773 1.00 44.12 C ATOM 723 C GLU A 48 14.762 -1.472 -10.034 1.00 30.01 C ATOM 724 O GLU A 48 14.008 -2.108 -9.298 1.00 14.15 O ATOM 725 CB GLU A 48 17.218 -1.948 -10.023 1.00 43.45 C ATOM 726 CG GLU A 48 17.986 -3.231 -9.754 1.00 72.14 C ATOM 727 CD GLU A 48 18.985 -3.087 -8.623 1.00 44.23 C ATOM 728 OE1 GLU A 48 18.579 -3.231 -7.451 1.00 72.22 O ATOM 729 OE2 GLU A 48 20.173 -2.830 -8.910 1.00 2.44 O ATOM 0 H GLU A 48 16.948 -1.371 -12.408 1.00 53.35 H new ATOM 0 HA GLU A 48 15.688 -3.234 -10.814 1.00 44.12 H new ATOM 0 HB2 GLU A 48 17.848 -1.272 -10.601 1.00 43.45 H new ATOM 0 HB3 GLU A 48 17.008 -1.455 -9.074 1.00 43.45 H new ATOM 0 HG2 GLU A 48 17.282 -4.027 -9.513 1.00 72.14 H new ATOM 0 HG3 GLU A 48 18.510 -3.533 -10.661 1.00 72.14 H new ATOM 736 N ASP A 49 14.643 -0.164 -10.235 1.00 65.45 N ATOM 737 CA ASP A 49 13.595 0.617 -9.589 1.00 64.02 C ATOM 738 C ASP A 49 12.220 0.021 -9.873 1.00 1.12 C ATOM 739 O ASP A 49 11.322 0.077 -9.032 1.00 51.33 O ATOM 740 CB ASP A 49 13.644 2.069 -10.067 1.00 2.11 C ATOM 741 CG ASP A 49 14.756 2.859 -9.406 1.00 4.13 C ATOM 742 OD1 ASP A 49 15.761 2.241 -8.995 1.00 32.52 O ATOM 743 OD2 ASP A 49 14.623 4.096 -9.300 1.00 0.02 O ATOM 0 H ASP A 49 15.260 0.378 -10.840 1.00 65.45 H new ATOM 0 HA ASP A 49 13.767 0.591 -8.513 1.00 64.02 H new ATOM 0 HB2 ASP A 49 13.782 2.088 -11.148 1.00 2.11 H new ATOM 0 HB3 ASP A 49 12.688 2.549 -9.859 1.00 2.11 H new ATOM 748 N CYS A 50 12.062 -0.549 -11.063 1.00 12.33 N ATOM 749 CA CYS A 50 10.796 -1.154 -11.459 1.00 41.11 C ATOM 750 C CYS A 50 10.290 -2.110 -10.383 1.00 32.11 C ATOM 751 O CYS A 50 9.111 -2.095 -10.028 1.00 53.01 O ATOM 752 CB CYS A 50 10.957 -1.900 -12.785 1.00 54.11 C ATOM 753 SG CYS A 50 9.405 -2.595 -13.440 1.00 22.35 S ATOM 0 H CYS A 50 12.795 -0.605 -11.770 1.00 12.33 H new ATOM 0 HA CYS A 50 10.064 -0.356 -11.585 1.00 41.11 H new ATOM 0 HB2 CYS A 50 11.378 -1.219 -13.524 1.00 54.11 H new ATOM 0 HB3 CYS A 50 11.676 -2.708 -12.650 1.00 54.11 H new ATOM 758 N CYS A 51 11.189 -2.941 -9.867 1.00 3.00 N ATOM 759 CA CYS A 51 10.836 -3.905 -8.832 1.00 13.43 C ATOM 760 C CYS A 51 10.247 -3.201 -7.612 1.00 22.20 C ATOM 761 O CYS A 51 9.297 -3.689 -7.000 1.00 53.30 O ATOM 762 CB CYS A 51 12.065 -4.718 -8.421 1.00 51.14 C ATOM 763 SG CYS A 51 11.744 -6.500 -8.220 1.00 0.23 S ATOM 0 H CYS A 51 12.169 -2.966 -10.149 1.00 3.00 H new ATOM 0 HA CYS A 51 10.083 -4.579 -9.240 1.00 13.43 H new ATOM 0 HB2 CYS A 51 12.845 -4.582 -9.171 1.00 51.14 H new ATOM 0 HB3 CYS A 51 12.453 -4.321 -7.483 1.00 51.14 H new ATOM 768 N ARG A 52 10.819 -2.053 -7.265 1.00 50.31 N ATOM 769 CA ARG A 52 10.352 -1.283 -6.119 1.00 2.44 C ATOM 770 C ARG A 52 8.830 -1.185 -6.113 1.00 15.31 C ATOM 771 O ARG A 52 8.196 -1.279 -5.062 1.00 64.11 O ATOM 772 CB ARG A 52 10.964 0.119 -6.136 1.00 0.42 C ATOM 773 CG ARG A 52 11.430 0.597 -4.770 1.00 44.34 C ATOM 774 CD ARG A 52 12.529 -0.295 -4.213 1.00 53.23 C ATOM 775 NE ARG A 52 13.522 0.466 -3.460 1.00 63.31 N ATOM 776 CZ ARG A 52 14.565 -0.088 -2.851 1.00 60.14 C ATOM 777 NH1 ARG A 52 14.750 -1.400 -2.907 1.00 53.24 N ATOM 778 NH2 ARG A 52 15.426 0.671 -2.185 1.00 60.24 N ATOM 0 H ARG A 52 11.606 -1.636 -7.761 1.00 50.31 H new ATOM 0 HA ARG A 52 10.669 -1.800 -5.213 1.00 2.44 H new ATOM 0 HB2 ARG A 52 11.810 0.129 -6.823 1.00 0.42 H new ATOM 0 HB3 ARG A 52 10.229 0.823 -6.526 1.00 0.42 H new ATOM 0 HG2 ARG A 52 11.795 1.621 -4.847 1.00 44.34 H new ATOM 0 HG3 ARG A 52 10.586 0.610 -4.080 1.00 44.34 H new ATOM 0 HD2 ARG A 52 12.087 -1.054 -3.567 1.00 53.23 H new ATOM 0 HD3 ARG A 52 13.020 -0.820 -5.032 1.00 53.23 H new ATOM 0 HE ARG A 52 13.409 1.478 -3.398 1.00 63.31 H new ATOM 0 HH11 ARG A 52 14.091 -1.987 -3.419 1.00 53.24 H new ATOM 0 HH12 ARG A 52 15.552 -1.822 -2.439 1.00 53.24 H new ATOM 0 HH21 ARG A 52 15.287 1.681 -2.140 1.00 60.24 H new ATOM 0 HH22 ARG A 52 16.226 0.245 -1.718 1.00 60.24 H new ATOM 792 N GLU A 53 8.249 -0.994 -7.294 1.00 24.42 N ATOM 793 CA GLU A 53 6.801 -0.882 -7.424 1.00 23.34 C ATOM 794 C GLU A 53 6.102 -2.053 -6.738 1.00 55.44 C ATOM 795 O GLU A 53 5.146 -1.864 -5.984 1.00 64.43 O ATOM 796 CB GLU A 53 6.402 -0.828 -8.900 1.00 31.44 C ATOM 797 CG GLU A 53 5.621 0.420 -9.274 1.00 34.04 C ATOM 798 CD GLU A 53 4.669 0.188 -10.431 1.00 61.21 C ATOM 799 OE1 GLU A 53 4.848 -0.814 -11.155 1.00 51.53 O ATOM 800 OE2 GLU A 53 3.745 1.008 -10.612 1.00 50.33 O ATOM 0 H GLU A 53 8.759 -0.914 -8.174 1.00 24.42 H new ATOM 0 HA GLU A 53 6.488 0.042 -6.937 1.00 23.34 H new ATOM 0 HB2 GLU A 53 7.302 -0.881 -9.513 1.00 31.44 H new ATOM 0 HB3 GLU A 53 5.802 -1.707 -9.138 1.00 31.44 H new ATOM 0 HG2 GLU A 53 5.056 0.764 -8.407 1.00 34.04 H new ATOM 0 HG3 GLU A 53 6.319 1.215 -9.536 1.00 34.04 H new ATOM 807 N CYS A 54 6.583 -3.262 -7.007 1.00 4.43 N ATOM 808 CA CYS A 54 6.005 -4.464 -6.418 1.00 42.43 C ATOM 809 C CYS A 54 6.784 -4.891 -5.178 1.00 3.34 C ATOM 810 O CYS A 54 6.364 -5.787 -4.446 1.00 43.14 O ATOM 811 CB CYS A 54 5.990 -5.601 -7.441 1.00 65.13 C ATOM 812 SG CYS A 54 4.324 -6.214 -7.848 1.00 32.03 S ATOM 0 H CYS A 54 7.372 -3.435 -7.630 1.00 4.43 H new ATOM 0 HA CYS A 54 4.981 -4.237 -6.121 1.00 42.43 H new ATOM 0 HB2 CYS A 54 6.473 -5.258 -8.356 1.00 65.13 H new ATOM 0 HB3 CYS A 54 6.586 -6.429 -7.057 1.00 65.13 H new ATOM 817 N ALA A 55 7.921 -4.242 -4.947 1.00 62.13 N ATOM 818 CA ALA A 55 8.758 -4.553 -3.795 1.00 12.42 C ATOM 819 C ALA A 55 8.068 -4.159 -2.493 1.00 54.33 C ATOM 820 O ALA A 55 8.509 -4.536 -1.408 1.00 53.22 O ATOM 821 CB ALA A 55 10.103 -3.851 -3.915 1.00 34.05 C ATOM 0 H ALA A 55 8.283 -3.498 -5.543 1.00 62.13 H new ATOM 0 HA ALA A 55 8.923 -5.630 -3.777 1.00 12.42 H new ATOM 0 HB1 ALA A 55 10.718 -4.092 -3.048 1.00 34.05 H new ATOM 0 HB2 ALA A 55 10.608 -4.184 -4.822 1.00 34.05 H new ATOM 0 HB3 ALA A 55 9.948 -2.773 -3.961 1.00 34.05 H new ATOM 827 N GLN A 56 6.984 -3.398 -2.610 1.00 71.23 N ATOM 828 CA GLN A 56 6.234 -2.952 -1.442 1.00 22.52 C ATOM 829 C GLN A 56 5.392 -4.088 -0.870 1.00 23.15 C ATOM 830 O GLN A 56 5.044 -4.082 0.310 1.00 31.33 O ATOM 831 CB GLN A 56 5.336 -1.769 -1.807 1.00 32.53 C ATOM 832 CG GLN A 56 6.096 -0.577 -2.363 1.00 5.41 C ATOM 833 CD GLN A 56 7.195 -0.100 -1.433 1.00 52.21 C ATOM 834 OE1 GLN A 56 6.999 -0.003 -0.221 1.00 44.32 O ATOM 835 NE2 GLN A 56 8.359 0.201 -1.997 1.00 31.23 N ATOM 0 H GLN A 56 6.606 -3.078 -3.502 1.00 71.23 H new ATOM 0 HA GLN A 56 6.948 -2.635 -0.682 1.00 22.52 H new ATOM 0 HB2 GLN A 56 4.600 -2.095 -2.542 1.00 32.53 H new ATOM 0 HB3 GLN A 56 4.784 -1.456 -0.921 1.00 32.53 H new ATOM 0 HG2 GLN A 56 6.531 -0.845 -3.326 1.00 5.41 H new ATOM 0 HG3 GLN A 56 5.399 0.241 -2.545 1.00 5.41 H new ATOM 0 HE21 GLN A 56 8.477 0.106 -3.006 1.00 31.23 H new ATOM 0 HE22 GLN A 56 9.135 0.528 -1.422 1.00 31.23 H new ATOM 844 N GLY A 57 5.068 -5.062 -1.715 1.00 21.13 N ATOM 845 CA GLY A 57 4.269 -6.191 -1.275 1.00 10.34 C ATOM 846 C GLY A 57 4.376 -7.377 -2.212 1.00 34.21 C ATOM 847 O GLY A 57 3.372 -8.010 -2.540 1.00 10.10 O ATOM 0 H GLY A 57 5.345 -5.089 -2.696 1.00 21.13 H new ATOM 0 HA2 GLY A 57 4.588 -6.491 -0.277 1.00 10.34 H new ATOM 0 HA3 GLY A 57 3.225 -5.886 -1.198 1.00 10.34 H new ATOM 851 N SER A 58 5.595 -7.679 -2.645 1.00 63.15 N ATOM 852 CA SER A 58 5.829 -8.794 -3.555 1.00 73.44 C ATOM 853 C SER A 58 7.321 -8.985 -3.809 1.00 60.32 C ATOM 854 O SER A 58 7.918 -9.966 -3.364 1.00 1.21 O ATOM 855 CB SER A 58 5.100 -8.560 -4.880 1.00 64.33 C ATOM 856 OG SER A 58 4.647 -9.782 -5.436 1.00 34.43 O ATOM 0 H SER A 58 6.437 -7.167 -2.380 1.00 63.15 H new ATOM 0 HA SER A 58 5.439 -9.699 -3.089 1.00 73.44 H new ATOM 0 HB2 SER A 58 4.252 -7.894 -4.720 1.00 64.33 H new ATOM 0 HB3 SER A 58 5.768 -8.062 -5.583 1.00 64.33 H new ATOM 0 HG SER A 58 4.183 -9.605 -6.281 1.00 34.43 H new ATOM 862 N CYS A 59 7.918 -8.041 -4.528 1.00 51.43 N ATOM 863 CA CYS A 59 9.340 -8.103 -4.843 1.00 40.43 C ATOM 864 C CYS A 59 10.184 -7.763 -3.618 1.00 52.41 C ATOM 865 O CYS A 59 11.261 -8.325 -3.419 1.00 34.23 O ATOM 866 CB CYS A 59 9.673 -7.143 -5.988 1.00 34.05 C ATOM 867 SG CYS A 59 11.457 -6.953 -6.303 1.00 54.45 S ATOM 0 H CYS A 59 7.439 -7.223 -4.904 1.00 51.43 H new ATOM 0 HA CYS A 59 9.574 -9.122 -5.152 1.00 40.43 H new ATOM 0 HB2 CYS A 59 9.190 -7.498 -6.898 1.00 34.05 H new ATOM 0 HB3 CYS A 59 9.248 -6.165 -5.763 1.00 34.05 H new TER 872 CYS A 59