USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=15 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 26 SER OG : rot 110:sc= -1.65 USER MOD Set 1.2: A 28 LYS NZ :NH3+ -159:sc= 0.151 (180deg=0.076) USER MOD Single : A 1 LYS N :NH3+ -111:sc= -0.736 (180deg=-2.67!) 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= -2.75 X(o=-2.8,f=-2.5!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -161:sc= -0.0702 (180deg=-0.391) USER MOD Single : A 16 SER OG : rot -43:sc= 1.18 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.737 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 -39:sc= -0.062 USER MOD Single : A 23 ASN : amide:sc= -0.621 K(o=-0.62,f=-0.11) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -75:sc= 0.919 USER MOD Single : A 40 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.26) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.88 X(o=-1.9,f=-1.8!) USER MOD Single : A 43 ASN : amide:sc= -1.01 K(o=-1,f=-1.9) USER MOD Single : A 46 THR OG1 : rot -139:sc= -0.898 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.061) USER MOD Single : A 58 SER OG : rot -166:sc= 0.00241 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.688 1.703 -0.644 1.00 30.44 N ATOM 2 CA LYS A 1 0.566 0.311 -1.063 1.00 11.50 C ATOM 3 C LYS A 1 -0.213 0.204 -2.370 1.00 31.41 C ATOM 4 O LYS A 1 -0.871 1.154 -2.793 1.00 41.42 O ATOM 5 CB LYS A 1 -0.127 -0.512 0.025 1.00 4.14 C ATOM 6 CG LYS A 1 0.062 -2.011 -0.133 1.00 51.33 C ATOM 7 CD LYS A 1 -0.234 -2.750 1.161 1.00 73.03 C ATOM 8 CE LYS A 1 -0.069 -4.253 0.994 1.00 3.24 C ATOM 9 NZ LYS A 1 0.096 -4.941 2.305 1.00 70.03 N ATOM 0 H1 LYS A 1 1.679 2.007 -0.732 1.00 30.44 H new ATOM 0 H2 LYS A 1 0.088 2.301 -1.247 1.00 30.44 H new ATOM 0 H3 LYS A 1 0.385 1.795 0.346 1.00 30.44 H new ATOM 0 HA LYS A 1 1.569 -0.084 -1.224 1.00 11.50 H new ATOM 0 HB2 LYS A 1 0.256 -0.207 0.999 1.00 4.14 H new ATOM 0 HB3 LYS A 1 -1.193 -0.286 0.016 1.00 4.14 H new ATOM 0 HG2 LYS A 1 -0.593 -2.380 -0.922 1.00 51.33 H new ATOM 0 HG3 LYS A 1 1.085 -2.219 -0.446 1.00 51.33 H new ATOM 0 HD2 LYS A 1 0.434 -2.394 1.945 1.00 73.03 H new ATOM 0 HD3 LYS A 1 -1.251 -2.528 1.484 1.00 73.03 H new ATOM 0 HE2 LYS A 1 -0.939 -4.659 0.478 1.00 3.24 H new ATOM 0 HE3 LYS A 1 0.798 -4.456 0.366 1.00 3.24 H new ATOM 0 HZ1 LYS A 1 0.206 -5.963 2.149 1.00 70.03 H new ATOM 0 HZ2 LYS A 1 0.940 -4.572 2.787 1.00 70.03 H new ATOM 0 HZ3 LYS A 1 -0.743 -4.769 2.895 1.00 70.03 H new ATOM 23 N LYS A 2 -0.136 -0.961 -3.005 1.00 1.00 N ATOM 24 CA LYS A 2 -0.836 -1.195 -4.263 1.00 24.14 C ATOM 25 C LYS A 2 -0.295 -0.288 -5.363 1.00 63.13 C ATOM 26 O LYS A 2 -0.908 -0.144 -6.421 1.00 32.10 O ATOM 27 CB LYS A 2 -2.337 -0.960 -4.086 1.00 35.23 C ATOM 28 CG LYS A 2 -3.185 -1.594 -5.175 1.00 63.23 C ATOM 29 CD LYS A 2 -3.838 -2.880 -4.696 1.00 51.25 C ATOM 30 CE LYS A 2 -5.278 -2.646 -4.264 1.00 64.04 C ATOM 31 NZ LYS A 2 -5.873 -3.859 -3.639 1.00 30.30 N ATOM 0 H LYS A 2 0.404 -1.758 -2.669 1.00 1.00 H new ATOM 0 HA LYS A 2 -0.669 -2.231 -4.556 1.00 24.14 H new ATOM 0 HB2 LYS A 2 -2.647 -1.357 -3.119 1.00 35.23 H new ATOM 0 HB3 LYS A 2 -2.528 0.113 -4.067 1.00 35.23 H new ATOM 0 HG2 LYS A 2 -3.955 -0.891 -5.494 1.00 63.23 H new ATOM 0 HG3 LYS A 2 -2.564 -1.803 -6.046 1.00 63.23 H new ATOM 0 HD2 LYS A 2 -3.812 -3.622 -5.494 1.00 51.25 H new ATOM 0 HD3 LYS A 2 -3.269 -3.290 -3.862 1.00 51.25 H new ATOM 0 HE2 LYS A 2 -5.315 -1.818 -3.557 1.00 64.04 H new ATOM 0 HE3 LYS A 2 -5.874 -2.354 -5.129 1.00 64.04 H new ATOM 0 HZ1 LYS A 2 -6.854 -3.659 -3.358 1.00 30.30 H new ATOM 0 HZ2 LYS A 2 -5.861 -4.643 -4.322 1.00 30.30 H new ATOM 0 HZ3 LYS A 2 -5.320 -4.124 -2.799 1.00 30.30 H new ATOM 45 N LYS A 3 0.858 0.321 -5.108 1.00 64.24 N ATOM 46 CA LYS A 3 1.484 1.212 -6.078 1.00 64.21 C ATOM 47 C LYS A 3 1.989 0.431 -7.288 1.00 10.44 C ATOM 48 O LYS A 3 1.929 0.913 -8.419 1.00 51.13 O ATOM 49 CB LYS A 3 2.643 1.972 -5.429 1.00 11.40 C ATOM 50 CG LYS A 3 2.211 3.233 -4.700 1.00 75.12 C ATOM 51 CD LYS A 3 2.711 3.247 -3.265 1.00 75.14 C ATOM 52 CE LYS A 3 1.977 4.284 -2.430 1.00 13.35 C ATOM 53 NZ LYS A 3 2.894 5.348 -1.935 1.00 41.01 N ATOM 0 H LYS A 3 1.378 0.214 -4.237 1.00 64.24 H new ATOM 0 HA LYS A 3 0.733 1.926 -6.416 1.00 64.21 H new ATOM 0 HB2 LYS A 3 3.151 1.312 -4.726 1.00 11.40 H new ATOM 0 HB3 LYS A 3 3.368 2.237 -6.198 1.00 11.40 H new ATOM 0 HG2 LYS A 3 2.592 4.108 -5.227 1.00 75.12 H new ATOM 0 HG3 LYS A 3 1.123 3.304 -4.708 1.00 75.12 H new ATOM 0 HD2 LYS A 3 2.577 2.260 -2.822 1.00 75.14 H new ATOM 0 HD3 LYS A 3 3.780 3.459 -3.253 1.00 75.14 H new ATOM 0 HE2 LYS A 3 1.185 4.736 -3.027 1.00 13.35 H new ATOM 0 HE3 LYS A 3 1.498 3.794 -1.582 1.00 13.35 H new ATOM 0 HZ1 LYS A 3 2.355 6.035 -1.370 1.00 41.01 H new ATOM 0 HZ2 LYS A 3 3.636 4.920 -1.345 1.00 41.01 H new ATOM 0 HZ3 LYS A 3 3.332 5.833 -2.744 1.00 41.01 H new ATOM 67 N CYS A 4 2.485 -0.777 -7.042 1.00 0.43 N ATOM 68 CA CYS A 4 2.999 -1.625 -8.110 1.00 41.21 C ATOM 69 C CYS A 4 1.869 -2.103 -9.017 1.00 35.24 C ATOM 70 O CYS A 4 2.112 -2.655 -10.089 1.00 51.24 O ATOM 71 CB CYS A 4 3.740 -2.828 -7.523 1.00 44.50 C ATOM 72 SG CYS A 4 2.646 -4.127 -6.865 1.00 0.41 S ATOM 0 H CYS A 4 2.542 -1.191 -6.111 1.00 0.43 H new ATOM 0 HA CYS A 4 3.694 -1.034 -8.706 1.00 41.21 H new ATOM 0 HB2 CYS A 4 4.377 -3.261 -8.295 1.00 44.50 H new ATOM 0 HB3 CYS A 4 4.397 -2.482 -6.725 1.00 44.50 H new ATOM 77 N GLN A 5 0.633 -1.887 -8.577 1.00 21.04 N ATOM 78 CA GLN A 5 -0.535 -2.296 -9.348 1.00 25.50 C ATOM 79 C GLN A 5 -1.181 -1.098 -10.034 1.00 52.23 C ATOM 80 O GLN A 5 -2.356 -0.801 -9.812 1.00 4.44 O ATOM 81 CB GLN A 5 -1.553 -2.991 -8.442 1.00 3.11 C ATOM 82 CG GLN A 5 -0.920 -3.901 -7.401 1.00 51.32 C ATOM 83 CD GLN A 5 -1.901 -4.906 -6.831 1.00 71.35 C ATOM 84 OE1 GLN A 5 -2.038 -5.036 -5.615 1.00 35.23 O ATOM 85 NE2 GLN A 5 -2.590 -5.625 -7.710 1.00 54.43 N ATOM 0 H GLN A 5 0.415 -1.431 -7.691 1.00 21.04 H new ATOM 0 HA GLN A 5 -0.205 -2.996 -10.115 1.00 25.50 H new ATOM 0 HB2 GLN A 5 -2.152 -2.234 -7.935 1.00 3.11 H new ATOM 0 HB3 GLN A 5 -2.235 -3.577 -9.058 1.00 3.11 H new ATOM 0 HG2 GLN A 5 -0.081 -4.432 -7.850 1.00 51.32 H new ATOM 0 HG3 GLN A 5 -0.516 -3.294 -6.591 1.00 51.32 H new ATOM 0 HE21 GLN A 5 -2.445 -5.484 -8.710 1.00 54.43 H new ATOM 0 HE22 GLN A 5 -3.265 -6.318 -7.385 1.00 54.43 H new ATOM 94 N LEU A 6 -0.408 -0.412 -10.869 1.00 61.41 N ATOM 95 CA LEU A 6 -0.905 0.755 -11.589 1.00 12.24 C ATOM 96 C LEU A 6 -0.810 0.547 -13.097 1.00 20.24 C ATOM 97 O LEU A 6 0.075 -0.147 -13.597 1.00 60.25 O ATOM 98 CB LEU A 6 -0.117 2.002 -11.184 1.00 11.13 C ATOM 99 CG LEU A 6 -0.621 2.742 -9.944 1.00 74.21 C ATOM 100 CD1 LEU A 6 -1.773 3.667 -10.306 1.00 20.30 C ATOM 101 CD2 LEU A 6 -1.047 1.752 -8.869 1.00 51.41 C ATOM 0 H LEU A 6 0.566 -0.644 -11.064 1.00 61.41 H new ATOM 0 HA LEU A 6 -1.954 0.894 -11.326 1.00 12.24 H new ATOM 0 HB2 LEU A 6 0.920 1.712 -11.013 1.00 11.13 H new ATOM 0 HB3 LEU A 6 -0.120 2.697 -12.023 1.00 11.13 H new ATOM 0 HG LEU A 6 0.194 3.348 -9.549 1.00 74.21 H new ATOM 0 HD11 LEU A 6 -2.119 4.185 -9.411 1.00 20.30 H new ATOM 0 HD12 LEU A 6 -1.436 4.398 -11.041 1.00 20.30 H new ATOM 0 HD13 LEU A 6 -2.591 3.082 -10.725 1.00 20.30 H new ATOM 0 HD21 LEU A 6 -1.403 2.296 -7.994 1.00 51.41 H new ATOM 0 HD22 LEU A 6 -1.847 1.120 -9.253 1.00 51.41 H new ATOM 0 HD23 LEU A 6 -0.196 1.131 -8.589 1.00 51.41 H new ATOM 113 N PRO A 7 -1.741 1.163 -13.839 1.00 54.24 N ATOM 114 CA PRO A 7 -1.782 1.063 -15.301 1.00 71.42 C ATOM 115 C PRO A 7 -0.624 1.799 -15.966 1.00 12.45 C ATOM 116 O PRO A 7 0.319 2.224 -15.298 1.00 32.33 O ATOM 117 CB PRO A 7 -3.115 1.722 -15.665 1.00 43.02 C ATOM 118 CG PRO A 7 -3.394 2.657 -14.540 1.00 13.41 C ATOM 119 CD PRO A 7 -2.826 2.006 -13.309 1.00 51.33 C ATOM 0 HA PRO A 7 -1.694 0.031 -15.641 1.00 71.42 H new ATOM 0 HB2 PRO A 7 -3.048 2.253 -16.614 1.00 43.02 H new ATOM 0 HB3 PRO A 7 -3.907 0.981 -15.770 1.00 43.02 H new ATOM 0 HG2 PRO A 7 -2.932 3.628 -14.716 1.00 13.41 H new ATOM 0 HG3 PRO A 7 -4.465 2.829 -14.432 1.00 13.41 H new ATOM 0 HD2 PRO A 7 -2.451 2.745 -12.600 1.00 51.33 H new ATOM 0 HD3 PRO A 7 -3.576 1.413 -12.785 1.00 51.33 H new ATOM 127 N SER A 8 -0.702 1.949 -17.284 1.00 72.40 N ATOM 128 CA SER A 8 0.342 2.632 -18.039 1.00 74.32 C ATOM 129 C SER A 8 0.041 4.123 -18.155 1.00 74.12 C ATOM 130 O SER A 8 -0.909 4.625 -17.553 1.00 24.43 O ATOM 131 CB SER A 8 0.477 2.017 -19.434 1.00 11.24 C ATOM 132 OG SER A 8 1.755 1.431 -19.611 1.00 33.55 O ATOM 0 H SER A 8 -1.477 1.607 -17.851 1.00 72.40 H new ATOM 0 HA SER A 8 1.283 2.510 -17.503 1.00 74.32 H new ATOM 0 HB2 SER A 8 -0.296 1.262 -19.579 1.00 11.24 H new ATOM 0 HB3 SER A 8 0.318 2.785 -20.191 1.00 11.24 H new ATOM 0 HG SER A 8 1.816 1.044 -20.509 1.00 33.55 H new ATOM 138 N ASP A 9 0.856 4.826 -18.934 1.00 32.50 N ATOM 139 CA ASP A 9 0.678 6.259 -19.131 1.00 54.41 C ATOM 140 C ASP A 9 1.768 6.823 -20.038 1.00 35.15 C ATOM 141 O ASP A 9 2.957 6.601 -19.808 1.00 75.02 O ATOM 142 CB ASP A 9 0.690 6.986 -17.785 1.00 53.24 C ATOM 143 CG ASP A 9 -0.450 7.977 -17.652 1.00 71.12 C ATOM 144 OD1 ASP A 9 -1.609 7.533 -17.511 1.00 31.01 O ATOM 145 OD2 ASP A 9 -0.183 9.196 -17.688 1.00 52.13 O ATOM 0 H ASP A 9 1.647 4.426 -19.439 1.00 32.50 H new ATOM 0 HA ASP A 9 -0.287 6.417 -19.612 1.00 54.41 H new ATOM 0 HB2 ASP A 9 0.627 6.254 -16.980 1.00 53.24 H new ATOM 0 HB3 ASP A 9 1.639 7.510 -17.667 1.00 53.24 H new ATOM 150 N VAL A 10 1.354 7.552 -21.069 1.00 10.41 N ATOM 151 CA VAL A 10 2.295 8.148 -22.010 1.00 73.13 C ATOM 152 C VAL A 10 2.326 9.666 -21.870 1.00 21.40 C ATOM 153 O VAL A 10 3.348 10.302 -22.124 1.00 11.03 O ATOM 154 CB VAL A 10 1.939 7.785 -23.464 1.00 42.04 C ATOM 155 CG1 VAL A 10 0.715 8.561 -23.925 1.00 13.25 C ATOM 156 CG2 VAL A 10 3.123 8.047 -24.383 1.00 40.11 C ATOM 0 H VAL A 10 0.373 7.744 -21.274 1.00 10.41 H new ATOM 0 HA VAL A 10 3.279 7.744 -21.772 1.00 73.13 H new ATOM 0 HB VAL A 10 1.702 6.722 -23.507 1.00 42.04 H new ATOM 0 HG11 VAL A 10 0.479 8.291 -24.954 1.00 13.25 H new ATOM 0 HG12 VAL A 10 -0.132 8.319 -23.283 1.00 13.25 H new ATOM 0 HG13 VAL A 10 0.919 9.630 -23.868 1.00 13.25 H new ATOM 0 HG21 VAL A 10 2.854 7.785 -25.406 1.00 40.11 H new ATOM 0 HG22 VAL A 10 3.393 9.102 -24.337 1.00 40.11 H new ATOM 0 HG23 VAL A 10 3.972 7.442 -24.065 1.00 40.11 H new ATOM 166 N GLY A 11 1.198 10.241 -21.463 1.00 63.51 N ATOM 167 CA GLY A 11 1.118 11.680 -21.295 1.00 71.24 C ATOM 168 C GLY A 11 1.443 12.431 -22.571 1.00 53.22 C ATOM 169 O GLY A 11 1.478 11.846 -23.654 1.00 23.12 O ATOM 0 H GLY A 11 0.339 9.736 -21.247 1.00 63.51 H new ATOM 0 HA2 GLY A 11 0.115 11.949 -20.964 1.00 71.24 H new ATOM 0 HA3 GLY A 11 1.807 11.990 -20.509 1.00 71.24 H new ATOM 173 N LYS A 12 1.679 13.733 -22.446 1.00 20.45 N ATOM 174 CA LYS A 12 2.002 14.567 -23.597 1.00 22.31 C ATOM 175 C LYS A 12 3.267 15.380 -23.342 1.00 12.55 C ATOM 176 O LYS A 12 3.923 15.220 -22.313 1.00 61.55 O ATOM 177 CB LYS A 12 0.836 15.504 -23.917 1.00 13.20 C ATOM 178 CG LYS A 12 0.180 16.102 -22.684 1.00 51.03 C ATOM 179 CD LYS A 12 -1.001 15.266 -22.220 1.00 54.55 C ATOM 180 CE LYS A 12 -1.680 15.886 -21.008 1.00 73.43 C ATOM 181 NZ LYS A 12 -3.145 16.055 -21.219 1.00 22.42 N ATOM 0 H LYS A 12 1.652 14.233 -21.558 1.00 20.45 H new ATOM 0 HA LYS A 12 2.178 13.912 -24.451 1.00 22.31 H new ATOM 0 HB2 LYS A 12 1.194 16.312 -24.555 1.00 13.20 H new ATOM 0 HB3 LYS A 12 0.086 14.956 -24.487 1.00 13.20 H new ATOM 0 HG2 LYS A 12 0.913 16.176 -21.880 1.00 51.03 H new ATOM 0 HG3 LYS A 12 -0.155 17.116 -22.904 1.00 51.03 H new ATOM 0 HD2 LYS A 12 -1.721 15.169 -23.032 1.00 54.55 H new ATOM 0 HD3 LYS A 12 -0.662 14.260 -21.973 1.00 54.55 H new ATOM 0 HE2 LYS A 12 -1.509 15.257 -20.134 1.00 73.43 H new ATOM 0 HE3 LYS A 12 -1.229 16.856 -20.796 1.00 73.43 H new ATOM 0 HZ1 LYS A 12 -3.571 16.480 -20.371 1.00 22.42 H new ATOM 0 HZ2 LYS A 12 -3.309 16.676 -22.037 1.00 22.42 H new ATOM 0 HZ3 LYS A 12 -3.580 15.127 -21.396 1.00 22.42 H new ATOM 195 N GLY A 13 3.602 16.256 -24.284 1.00 43.41 N ATOM 196 CA GLY A 13 4.786 17.083 -24.141 1.00 4.00 C ATOM 197 C GLY A 13 5.944 16.589 -24.986 1.00 52.20 C ATOM 198 O GLY A 13 5.753 16.161 -26.125 1.00 3.33 O ATOM 0 H GLY A 13 3.075 16.408 -25.144 1.00 43.41 H new ATOM 0 HA2 GLY A 13 4.546 18.108 -24.423 1.00 4.00 H new ATOM 0 HA3 GLY A 13 5.087 17.103 -23.094 1.00 4.00 H new ATOM 202 N LYS A 14 7.149 16.649 -24.429 1.00 53.32 N ATOM 203 CA LYS A 14 8.343 16.205 -25.138 1.00 51.33 C ATOM 204 C LYS A 14 8.632 14.736 -24.850 1.00 21.32 C ATOM 205 O LYS A 14 9.763 14.274 -25.003 1.00 55.23 O ATOM 206 CB LYS A 14 9.547 17.061 -24.738 1.00 13.21 C ATOM 207 CG LYS A 14 9.438 18.509 -25.182 1.00 40.54 C ATOM 208 CD LYS A 14 8.711 19.356 -24.151 1.00 53.25 C ATOM 209 CE LYS A 14 8.804 20.838 -24.481 1.00 43.10 C ATOM 210 NZ LYS A 14 10.206 21.336 -24.405 1.00 73.21 N ATOM 0 H LYS A 14 7.324 17.001 -23.488 1.00 53.32 H new ATOM 0 HA LYS A 14 8.164 16.319 -26.207 1.00 51.33 H new ATOM 0 HB2 LYS A 14 9.661 17.030 -23.654 1.00 13.21 H new ATOM 0 HB3 LYS A 14 10.450 16.626 -25.166 1.00 13.21 H new ATOM 0 HG2 LYS A 14 10.436 18.915 -25.349 1.00 40.54 H new ATOM 0 HG3 LYS A 14 8.909 18.560 -26.134 1.00 40.54 H new ATOM 0 HD2 LYS A 14 7.664 19.057 -24.106 1.00 53.25 H new ATOM 0 HD3 LYS A 14 9.137 19.175 -23.164 1.00 53.25 H new ATOM 0 HE2 LYS A 14 8.410 21.013 -25.482 1.00 43.10 H new ATOM 0 HE3 LYS A 14 8.179 21.404 -23.790 1.00 43.10 H new ATOM 0 HZ1 LYS A 14 10.202 22.372 -24.315 1.00 73.21 H new ATOM 0 HZ2 LYS A 14 10.679 20.918 -23.578 1.00 73.21 H new ATOM 0 HZ3 LYS A 14 10.718 21.066 -25.269 1.00 73.21 H new ATOM 224 N ALA A 15 7.603 14.006 -24.432 1.00 61.44 N ATOM 225 CA ALA A 15 7.747 12.588 -24.126 1.00 74.32 C ATOM 226 C ALA A 15 8.539 11.869 -25.213 1.00 22.03 C ATOM 227 O ALA A 15 8.240 11.996 -26.400 1.00 14.01 O ATOM 228 CB ALA A 15 6.379 11.944 -23.955 1.00 32.35 C ATOM 0 H ALA A 15 6.661 14.373 -24.298 1.00 61.44 H new ATOM 0 HA ALA A 15 8.299 12.498 -23.191 1.00 74.32 H new ATOM 0 HB1 ALA A 15 6.501 10.885 -23.727 1.00 32.35 H new ATOM 0 HB2 ALA A 15 5.847 12.432 -23.139 1.00 32.35 H new ATOM 0 HB3 ALA A 15 5.808 12.053 -24.877 1.00 32.35 H new ATOM 234 N SER A 16 9.552 11.114 -24.799 1.00 2.53 N ATOM 235 CA SER A 16 10.391 10.379 -25.738 1.00 21.23 C ATOM 236 C SER A 16 11.396 9.502 -24.997 1.00 0.24 C ATOM 237 O SER A 16 12.486 9.228 -25.498 1.00 64.43 O ATOM 238 CB SER A 16 11.128 11.348 -26.664 1.00 1.45 C ATOM 239 OG SER A 16 11.940 10.650 -27.591 1.00 62.22 O ATOM 0 H SER A 16 9.811 10.995 -23.820 1.00 2.53 H new ATOM 0 HA SER A 16 9.746 9.736 -26.337 1.00 21.23 H new ATOM 0 HB2 SER A 16 10.406 11.964 -27.200 1.00 1.45 H new ATOM 0 HB3 SER A 16 11.745 12.023 -26.072 1.00 1.45 H new ATOM 0 HG SER A 16 12.411 9.924 -27.131 1.00 62.22 H new ATOM 245 N PHE A 17 11.021 9.066 -23.799 1.00 33.40 N ATOM 246 CA PHE A 17 11.888 8.221 -22.987 1.00 24.42 C ATOM 247 C PHE A 17 11.150 6.967 -22.526 1.00 65.12 C ATOM 248 O PHE A 17 9.948 7.001 -22.261 1.00 42.43 O ATOM 249 CB PHE A 17 12.402 8.998 -21.773 1.00 45.24 C ATOM 250 CG PHE A 17 13.849 8.738 -21.463 1.00 71.25 C ATOM 251 CD1 PHE A 17 14.259 7.500 -20.996 1.00 61.45 C ATOM 252 CD2 PHE A 17 14.798 9.732 -21.639 1.00 23.33 C ATOM 253 CE1 PHE A 17 15.589 7.257 -20.711 1.00 24.54 C ATOM 254 CE2 PHE A 17 16.130 9.494 -21.355 1.00 50.40 C ATOM 255 CZ PHE A 17 16.526 8.256 -20.889 1.00 71.23 C ATOM 0 H PHE A 17 10.122 9.284 -23.369 1.00 33.40 H new ATOM 0 HA PHE A 17 12.736 7.918 -23.602 1.00 24.42 H new ATOM 0 HB2 PHE A 17 12.262 10.065 -21.949 1.00 45.24 H new ATOM 0 HB3 PHE A 17 11.800 8.737 -20.903 1.00 45.24 H new ATOM 0 HD1 PHE A 17 13.531 6.716 -20.853 1.00 61.45 H new ATOM 0 HD2 PHE A 17 14.494 10.703 -22.002 1.00 23.33 H new ATOM 0 HE1 PHE A 17 15.896 6.287 -20.349 1.00 24.54 H new ATOM 0 HE2 PHE A 17 16.861 10.276 -21.498 1.00 50.40 H new ATOM 0 HZ PHE A 17 17.566 8.069 -20.664 1.00 71.23 H new ATOM 265 N THR A 18 11.879 5.859 -22.433 1.00 63.13 N ATOM 266 CA THR A 18 11.295 4.593 -22.007 1.00 5.51 C ATOM 267 C THR A 18 11.568 4.332 -20.530 1.00 63.12 C ATOM 268 O THR A 18 12.711 4.402 -20.079 1.00 24.14 O ATOM 269 CB THR A 18 11.842 3.415 -22.835 1.00 2.21 C ATOM 270 OG1 THR A 18 11.349 2.177 -22.310 1.00 42.43 O ATOM 271 CG2 THR A 18 13.363 3.406 -22.824 1.00 44.34 C ATOM 0 H THR A 18 12.875 5.813 -22.647 1.00 63.13 H new ATOM 0 HA THR A 18 10.220 4.671 -22.167 1.00 5.51 H new ATOM 0 HB THR A 18 11.503 3.534 -23.864 1.00 2.21 H new ATOM 0 HG1 THR A 18 11.700 1.433 -22.843 1.00 42.43 H new ATOM 0 HG21 THR A 18 13.726 2.565 -23.415 1.00 44.34 H new ATOM 0 HG22 THR A 18 13.735 4.337 -23.251 1.00 44.34 H new ATOM 0 HG23 THR A 18 13.719 3.309 -21.798 1.00 44.34 H new ATOM 279 N ARG A 19 10.512 4.030 -19.782 1.00 71.25 N ATOM 280 CA ARG A 19 10.638 3.758 -18.356 1.00 3.13 C ATOM 281 C ARG A 19 10.086 2.377 -18.014 1.00 40.32 C ATOM 282 O ARG A 19 9.256 1.832 -18.742 1.00 63.23 O ATOM 283 CB ARG A 19 9.905 4.828 -17.544 1.00 73.53 C ATOM 284 CG ARG A 19 10.072 6.233 -18.097 1.00 40.35 C ATOM 285 CD ARG A 19 11.515 6.703 -17.999 1.00 61.41 C ATOM 286 NE ARG A 19 11.666 8.097 -18.408 1.00 24.54 N ATOM 287 CZ ARG A 19 12.826 8.745 -18.393 1.00 33.12 C ATOM 288 NH1 ARG A 19 13.929 8.128 -17.992 1.00 50.24 N ATOM 289 NH2 ARG A 19 12.883 10.013 -18.780 1.00 30.14 N ATOM 0 H ARG A 19 9.559 3.968 -20.140 1.00 71.25 H new ATOM 0 HA ARG A 19 11.697 3.780 -18.100 1.00 3.13 H new ATOM 0 HB2 ARG A 19 8.843 4.583 -17.511 1.00 73.53 H new ATOM 0 HB3 ARG A 19 10.269 4.805 -16.517 1.00 73.53 H new ATOM 0 HG2 ARG A 19 9.751 6.256 -19.138 1.00 40.35 H new ATOM 0 HG3 ARG A 19 9.427 6.920 -17.549 1.00 40.35 H new ATOM 0 HD2 ARG A 19 11.865 6.586 -16.973 1.00 61.41 H new ATOM 0 HD3 ARG A 19 12.145 6.071 -18.625 1.00 61.41 H new ATOM 0 HE ARG A 19 10.836 8.600 -18.722 1.00 24.54 H new ATOM 0 HH11 ARG A 19 13.889 7.153 -17.694 1.00 50.24 H new ATOM 0 HH12 ARG A 19 14.818 8.628 -17.982 1.00 50.24 H new ATOM 0 HH21 ARG A 19 12.036 10.490 -19.089 1.00 30.14 H new ATOM 0 HH22 ARG A 19 13.774 10.510 -18.768 1.00 30.14 H new ATOM 303 N TYR A 20 10.552 1.818 -16.903 1.00 62.33 N ATOM 304 CA TYR A 20 10.107 0.500 -16.467 1.00 25.52 C ATOM 305 C TYR A 20 8.955 0.615 -15.474 1.00 21.44 C ATOM 306 O TYR A 20 8.896 1.554 -14.680 1.00 23.35 O ATOM 307 CB TYR A 20 11.268 -0.269 -15.832 1.00 52.10 C ATOM 308 CG TYR A 20 12.438 -0.479 -16.766 1.00 72.43 C ATOM 309 CD1 TYR A 20 12.509 -1.603 -17.580 1.00 62.12 C ATOM 310 CD2 TYR A 20 13.472 0.446 -16.836 1.00 14.52 C ATOM 311 CE1 TYR A 20 13.577 -1.800 -18.435 1.00 13.45 C ATOM 312 CE2 TYR A 20 14.542 0.259 -17.688 1.00 64.14 C ATOM 313 CZ TYR A 20 14.591 -0.866 -18.485 1.00 54.23 C ATOM 314 OH TYR A 20 15.655 -1.057 -19.336 1.00 60.31 O ATOM 0 H TYR A 20 11.237 2.257 -16.288 1.00 62.33 H new ATOM 0 HA TYR A 20 9.755 -0.045 -17.343 1.00 25.52 H new ATOM 0 HB2 TYR A 20 11.611 0.271 -14.949 1.00 52.10 H new ATOM 0 HB3 TYR A 20 10.907 -1.239 -15.492 1.00 52.10 H new ATOM 0 HD1 TYR A 20 11.716 -2.335 -17.544 1.00 62.12 H new ATOM 0 HD2 TYR A 20 13.438 1.327 -16.213 1.00 14.52 H new ATOM 0 HE1 TYR A 20 13.617 -2.680 -19.060 1.00 13.45 H new ATOM 0 HE2 TYR A 20 15.336 0.989 -17.730 1.00 64.14 H new ATOM 0 HH TYR A 20 16.281 -0.308 -19.251 1.00 60.31 H new ATOM 324 N TYR A 21 8.041 -0.348 -15.524 1.00 42.03 N ATOM 325 CA TYR A 21 6.889 -0.355 -14.631 1.00 73.41 C ATOM 326 C TYR A 21 6.462 -1.783 -14.304 1.00 71.23 C ATOM 327 O TYR A 21 6.435 -2.651 -15.178 1.00 4.33 O ATOM 328 CB TYR A 21 5.722 0.405 -15.263 1.00 41.54 C ATOM 329 CG TYR A 21 5.068 -0.333 -16.409 1.00 52.33 C ATOM 330 CD1 TYR A 21 5.711 -0.465 -17.634 1.00 24.23 C ATOM 331 CD2 TYR A 21 3.806 -0.897 -16.268 1.00 50.22 C ATOM 332 CE1 TYR A 21 5.117 -1.138 -18.684 1.00 23.12 C ATOM 333 CE2 TYR A 21 3.205 -1.573 -17.312 1.00 50.33 C ATOM 334 CZ TYR A 21 3.864 -1.691 -18.518 1.00 44.50 C ATOM 335 OH TYR A 21 3.268 -2.362 -19.561 1.00 4.10 O ATOM 0 H TYR A 21 8.076 -1.134 -16.174 1.00 42.03 H new ATOM 0 HA TYR A 21 7.177 0.141 -13.704 1.00 73.41 H new ATOM 0 HB2 TYR A 21 4.973 0.606 -14.497 1.00 41.54 H new ATOM 0 HB3 TYR A 21 6.079 1.371 -15.621 1.00 41.54 H new ATOM 0 HD1 TYR A 21 6.692 -0.034 -17.767 1.00 24.23 H new ATOM 0 HD2 TYR A 21 3.286 -0.805 -15.326 1.00 50.22 H new ATOM 0 HE1 TYR A 21 5.631 -1.231 -19.630 1.00 23.12 H new ATOM 0 HE2 TYR A 21 2.224 -2.007 -17.185 1.00 50.33 H new ATOM 0 HH TYR A 21 2.389 -2.691 -19.279 1.00 4.10 H new ATOM 345 N TYR A 22 6.128 -2.019 -13.041 1.00 12.15 N ATOM 346 CA TYR A 22 5.704 -3.341 -12.596 1.00 75.20 C ATOM 347 C TYR A 22 4.182 -3.434 -12.537 1.00 12.34 C ATOM 348 O TYR A 22 3.502 -2.462 -12.210 1.00 2.31 O ATOM 349 CB TYR A 22 6.299 -3.656 -11.223 1.00 13.04 C ATOM 350 CG TYR A 22 6.432 -5.136 -10.945 1.00 73.31 C ATOM 351 CD1 TYR A 22 7.588 -5.826 -11.288 1.00 4.03 C ATOM 352 CD2 TYR A 22 5.401 -5.846 -10.342 1.00 12.44 C ATOM 353 CE1 TYR A 22 7.714 -7.179 -11.037 1.00 3.32 C ATOM 354 CE2 TYR A 22 5.518 -7.198 -10.086 1.00 5.04 C ATOM 355 CZ TYR A 22 6.677 -7.860 -10.435 1.00 71.02 C ATOM 356 OH TYR A 22 6.797 -9.207 -10.183 1.00 64.51 O ATOM 0 H TYR A 22 6.143 -1.312 -12.306 1.00 12.15 H new ATOM 0 HA TYR A 22 6.067 -4.073 -13.318 1.00 75.20 H new ATOM 0 HB2 TYR A 22 7.282 -3.191 -11.147 1.00 13.04 H new ATOM 0 HB3 TYR A 22 5.673 -3.205 -10.453 1.00 13.04 H new ATOM 0 HD1 TYR A 22 8.402 -5.296 -11.759 1.00 4.03 H new ATOM 0 HD2 TYR A 22 4.492 -5.331 -10.069 1.00 12.44 H new ATOM 0 HE1 TYR A 22 8.619 -7.700 -11.311 1.00 3.32 H new ATOM 0 HE2 TYR A 22 4.707 -7.734 -9.615 1.00 5.04 H new ATOM 0 HH TYR A 22 7.258 -9.640 -10.932 1.00 64.51 H new ATOM 366 N ASN A 23 3.654 -4.611 -12.855 1.00 23.42 N ATOM 367 CA ASN A 23 2.213 -4.833 -12.838 1.00 51.20 C ATOM 368 C ASN A 23 1.874 -6.155 -12.156 1.00 15.42 C ATOM 369 O ASN A 23 2.647 -7.110 -12.213 1.00 1.33 O ATOM 370 CB ASN A 23 1.658 -4.825 -14.264 1.00 0.31 C ATOM 371 CG ASN A 23 2.714 -5.165 -15.297 1.00 45.23 C ATOM 372 OD1 ASN A 23 2.842 -6.316 -15.716 1.00 14.43 O ATOM 373 ND2 ASN A 23 3.479 -4.162 -15.714 1.00 11.01 N ATOM 0 H ASN A 23 4.203 -5.426 -13.128 1.00 23.42 H new ATOM 0 HA ASN A 23 1.753 -4.024 -12.271 1.00 51.20 H new ATOM 0 HB2 ASN A 23 0.839 -5.541 -14.336 1.00 0.31 H new ATOM 0 HB3 ASN A 23 1.242 -3.842 -14.484 1.00 0.31 H new ATOM 0 HD21 ASN A 23 4.207 -4.330 -16.408 1.00 11.01 H new ATOM 0 HD22 ASN A 23 3.338 -3.224 -15.340 1.00 11.01 H new ATOM 380 N GLU A 24 0.711 -6.201 -11.512 1.00 4.31 N ATOM 381 CA GLU A 24 0.270 -7.405 -10.819 1.00 22.43 C ATOM 382 C GLU A 24 -0.430 -8.361 -11.781 1.00 24.23 C ATOM 383 O GLU A 24 -0.199 -8.320 -12.989 1.00 34.22 O ATOM 384 CB GLU A 24 -0.671 -7.043 -9.668 1.00 41.21 C ATOM 385 CG GLU A 24 -0.418 -7.841 -8.400 1.00 44.31 C ATOM 386 CD GLU A 24 0.908 -7.497 -7.749 1.00 42.44 C ATOM 387 OE1 GLU A 24 1.956 -7.933 -8.269 1.00 60.24 O ATOM 388 OE2 GLU A 24 0.897 -6.790 -6.720 1.00 21.14 O ATOM 0 H GLU A 24 0.059 -5.419 -11.456 1.00 4.31 H new ATOM 0 HA GLU A 24 1.151 -7.904 -10.415 1.00 22.43 H new ATOM 0 HB2 GLU A 24 -0.567 -5.981 -9.445 1.00 41.21 H new ATOM 0 HB3 GLU A 24 -1.701 -7.202 -9.988 1.00 41.21 H new ATOM 0 HG2 GLU A 24 -1.225 -7.656 -7.691 1.00 44.31 H new ATOM 0 HG3 GLU A 24 -0.438 -8.905 -8.635 1.00 44.31 H new ATOM 395 N GLU A 25 -1.284 -9.221 -11.235 1.00 12.33 N ATOM 396 CA GLU A 25 -2.016 -10.188 -12.044 1.00 53.43 C ATOM 397 C GLU A 25 -1.067 -11.212 -12.659 1.00 41.13 C ATOM 398 O GLU A 25 -1.461 -12.003 -13.516 1.00 22.21 O ATOM 399 CB GLU A 25 -2.798 -9.473 -13.149 1.00 34.35 C ATOM 400 CG GLU A 25 -3.933 -10.303 -13.725 1.00 34.14 C ATOM 401 CD GLU A 25 -3.765 -10.572 -15.207 1.00 71.24 C ATOM 402 OE1 GLU A 25 -3.405 -9.631 -15.945 1.00 13.13 O ATOM 403 OE2 GLU A 25 -3.993 -11.725 -15.630 1.00 71.10 O ATOM 0 H GLU A 25 -1.486 -9.268 -10.236 1.00 12.33 H new ATOM 0 HA GLU A 25 -2.716 -10.712 -11.393 1.00 53.43 H new ATOM 0 HB2 GLU A 25 -3.204 -8.543 -12.752 1.00 34.35 H new ATOM 0 HB3 GLU A 25 -2.112 -9.204 -13.952 1.00 34.35 H new ATOM 0 HG2 GLU A 25 -3.991 -11.252 -13.192 1.00 34.14 H new ATOM 0 HG3 GLU A 25 -4.878 -9.785 -13.558 1.00 34.14 H new ATOM 410 N SER A 26 0.186 -11.190 -12.216 1.00 10.31 N ATOM 411 CA SER A 26 1.193 -12.113 -12.725 1.00 44.21 C ATOM 412 C SER A 26 2.574 -11.768 -12.175 1.00 40.42 C ATOM 413 O SER A 26 3.445 -12.630 -12.066 1.00 54.11 O ATOM 414 CB SER A 26 1.219 -12.081 -14.254 1.00 54.35 C ATOM 415 OG SER A 26 2.439 -12.598 -14.755 1.00 40.05 O ATOM 0 H SER A 26 0.528 -10.543 -11.506 1.00 10.31 H new ATOM 0 HA SER A 26 0.929 -13.117 -12.394 1.00 44.21 H new ATOM 0 HB2 SER A 26 0.385 -12.663 -14.647 1.00 54.35 H new ATOM 0 HB3 SER A 26 1.085 -11.057 -14.602 1.00 54.35 H new ATOM 0 HG SER A 26 2.275 -13.462 -15.187 1.00 40.05 H new ATOM 421 N GLY A 27 2.766 -10.498 -11.830 1.00 2.01 N ATOM 422 CA GLY A 27 4.042 -10.060 -11.296 1.00 3.45 C ATOM 423 C GLY A 27 5.105 -9.925 -12.368 1.00 55.44 C ATOM 424 O GLY A 27 6.159 -10.556 -12.292 1.00 73.14 O ATOM 0 H GLY A 27 2.061 -9.765 -11.911 1.00 2.01 H new ATOM 0 HA2 GLY A 27 3.912 -9.101 -10.795 1.00 3.45 H new ATOM 0 HA3 GLY A 27 4.380 -10.771 -10.542 1.00 3.45 H new ATOM 428 N LYS A 28 4.827 -9.100 -13.373 1.00 22.11 N ATOM 429 CA LYS A 28 5.766 -8.884 -14.467 1.00 42.32 C ATOM 430 C LYS A 28 6.078 -7.400 -14.631 1.00 51.41 C ATOM 431 O LYS A 28 5.369 -6.544 -14.101 1.00 0.42 O ATOM 432 CB LYS A 28 5.197 -9.443 -15.773 1.00 22.51 C ATOM 433 CG LYS A 28 4.541 -10.804 -15.616 1.00 62.45 C ATOM 434 CD LYS A 28 5.541 -11.857 -15.168 1.00 31.13 C ATOM 435 CE LYS A 28 5.126 -13.249 -15.620 1.00 14.34 C ATOM 436 NZ LYS A 28 4.913 -14.166 -14.466 1.00 21.11 N ATOM 0 H LYS A 28 3.959 -8.570 -13.452 1.00 22.11 H new ATOM 0 HA LYS A 28 6.691 -9.408 -14.227 1.00 42.32 H new ATOM 0 HB2 LYS A 28 4.465 -8.740 -16.171 1.00 22.51 H new ATOM 0 HB3 LYS A 28 6.000 -9.518 -16.507 1.00 22.51 H new ATOM 0 HG2 LYS A 28 3.732 -10.737 -14.889 1.00 62.45 H new ATOM 0 HG3 LYS A 28 4.094 -11.105 -16.564 1.00 62.45 H new ATOM 0 HD2 LYS A 28 6.525 -11.621 -15.572 1.00 31.13 H new ATOM 0 HD3 LYS A 28 5.629 -11.837 -14.082 1.00 31.13 H new ATOM 0 HE2 LYS A 28 4.209 -13.182 -16.205 1.00 14.34 H new ATOM 0 HE3 LYS A 28 5.893 -13.662 -16.275 1.00 14.34 H new ATOM 0 HZ1 LYS A 28 4.985 -15.152 -14.788 1.00 21.11 H new ATOM 0 HZ2 LYS A 28 5.636 -13.985 -13.741 1.00 21.11 H new ATOM 0 HZ3 LYS A 28 3.969 -14.002 -14.062 1.00 21.11 H new ATOM 450 N CYS A 29 7.141 -7.101 -15.370 1.00 24.13 N ATOM 451 CA CYS A 29 7.547 -5.721 -15.605 1.00 13.41 C ATOM 452 C CYS A 29 7.763 -5.463 -17.093 1.00 61.24 C ATOM 453 O CYS A 29 8.252 -6.329 -17.818 1.00 24.12 O ATOM 454 CB CYS A 29 8.827 -5.404 -14.830 1.00 3.11 C ATOM 455 SG CYS A 29 9.348 -3.662 -14.935 1.00 4.50 S ATOM 0 H CYS A 29 7.738 -7.797 -15.817 1.00 24.13 H new ATOM 0 HA CYS A 29 6.747 -5.069 -15.254 1.00 13.41 H new ATOM 0 HB2 CYS A 29 8.679 -5.665 -13.782 1.00 3.11 H new ATOM 0 HB3 CYS A 29 9.632 -6.036 -15.205 1.00 3.11 H new ATOM 460 N GLU A 30 7.395 -4.267 -17.541 1.00 40.11 N ATOM 461 CA GLU A 30 7.549 -3.896 -18.943 1.00 74.31 C ATOM 462 C GLU A 30 8.111 -2.484 -19.074 1.00 14.41 C ATOM 463 O GLU A 30 8.450 -1.843 -18.079 1.00 0.34 O ATOM 464 CB GLU A 30 6.205 -3.992 -19.669 1.00 0.31 C ATOM 465 CG GLU A 30 5.886 -5.387 -20.179 1.00 24.23 C ATOM 466 CD GLU A 30 6.529 -5.679 -21.521 1.00 25.04 C ATOM 467 OE1 GLU A 30 6.346 -4.872 -22.455 1.00 50.23 O ATOM 468 OE2 GLU A 30 7.217 -6.715 -21.635 1.00 71.53 O ATOM 0 H GLU A 30 6.988 -3.539 -16.954 1.00 40.11 H new ATOM 0 HA GLU A 30 8.252 -4.591 -19.401 1.00 74.31 H new ATOM 0 HB2 GLU A 30 5.413 -3.672 -18.992 1.00 0.31 H new ATOM 0 HB3 GLU A 30 6.206 -3.298 -20.510 1.00 0.31 H new ATOM 0 HG2 GLU A 30 6.226 -6.123 -19.450 1.00 24.23 H new ATOM 0 HG3 GLU A 30 4.805 -5.500 -20.266 1.00 24.23 H new ATOM 475 N THR A 31 8.207 -2.003 -20.310 1.00 30.40 N ATOM 476 CA THR A 31 8.729 -0.668 -20.573 1.00 21.43 C ATOM 477 C THR A 31 7.764 0.140 -21.431 1.00 54.45 C ATOM 478 O THR A 31 7.208 -0.368 -22.406 1.00 22.04 O ATOM 479 CB THR A 31 10.098 -0.729 -21.277 1.00 54.11 C ATOM 480 OG1 THR A 31 9.951 -1.296 -22.584 1.00 3.01 O ATOM 481 CG2 THR A 31 11.087 -1.555 -20.468 1.00 55.33 C ATOM 0 H THR A 31 7.930 -2.519 -21.145 1.00 30.40 H new ATOM 0 HA THR A 31 8.848 -0.179 -19.606 1.00 21.43 H new ATOM 0 HB THR A 31 10.484 0.287 -21.363 1.00 54.11 H new ATOM 0 HG1 THR A 31 10.825 -1.330 -23.026 1.00 3.01 H new ATOM 0 HG21 THR A 31 12.046 -1.583 -20.985 1.00 55.33 H new ATOM 0 HG22 THR A 31 11.218 -1.104 -19.484 1.00 55.33 H new ATOM 0 HG23 THR A 31 10.706 -2.570 -20.354 1.00 55.33 H new ATOM 489 N PHE A 32 7.568 1.403 -21.065 1.00 31.42 N ATOM 490 CA PHE A 32 6.669 2.282 -21.802 1.00 55.33 C ATOM 491 C PHE A 32 7.302 3.654 -22.014 1.00 43.05 C ATOM 492 O PHE A 32 8.305 3.990 -21.384 1.00 43.21 O ATOM 493 CB PHE A 32 5.341 2.431 -21.056 1.00 1.21 C ATOM 494 CG PHE A 32 5.465 3.170 -19.754 1.00 21.21 C ATOM 495 CD1 PHE A 32 6.173 2.622 -18.696 1.00 41.23 C ATOM 496 CD2 PHE A 32 4.873 4.411 -19.588 1.00 0.45 C ATOM 497 CE1 PHE A 32 6.289 3.299 -17.497 1.00 4.31 C ATOM 498 CE2 PHE A 32 4.986 5.093 -18.391 1.00 3.32 C ATOM 499 CZ PHE A 32 5.694 4.536 -17.344 1.00 3.12 C ATOM 0 H PHE A 32 8.020 1.840 -20.262 1.00 31.42 H new ATOM 0 HA PHE A 32 6.482 1.833 -22.777 1.00 55.33 H new ATOM 0 HB2 PHE A 32 4.631 2.955 -21.696 1.00 1.21 H new ATOM 0 HB3 PHE A 32 4.928 1.441 -20.865 1.00 1.21 H new ATOM 0 HD1 PHE A 32 6.639 1.655 -18.810 1.00 41.23 H new ATOM 0 HD2 PHE A 32 4.317 4.851 -20.403 1.00 0.45 H new ATOM 0 HE1 PHE A 32 6.844 2.861 -16.681 1.00 4.31 H new ATOM 0 HE2 PHE A 32 4.521 6.061 -18.275 1.00 3.32 H new ATOM 0 HZ PHE A 32 5.782 5.067 -16.408 1.00 3.12 H new ATOM 509 N ILE A 33 6.710 4.441 -22.906 1.00 62.04 N ATOM 510 CA ILE A 33 7.216 5.776 -23.202 1.00 31.23 C ATOM 511 C ILE A 33 6.608 6.814 -22.265 1.00 34.22 C ATOM 512 O ILE A 33 5.416 7.115 -22.345 1.00 24.15 O ATOM 513 CB ILE A 33 6.921 6.180 -24.658 1.00 62.03 C ATOM 514 CG1 ILE A 33 7.251 5.026 -25.607 1.00 43.25 C ATOM 515 CG2 ILE A 33 7.712 7.424 -25.033 1.00 43.31 C ATOM 516 CD1 ILE A 33 6.045 4.200 -25.996 1.00 65.14 C ATOM 0 H ILE A 33 5.880 4.177 -23.436 1.00 62.04 H new ATOM 0 HA ILE A 33 8.295 5.744 -23.054 1.00 31.23 H new ATOM 0 HB ILE A 33 5.859 6.408 -24.748 1.00 62.03 H new ATOM 0 HG12 ILE A 33 7.712 5.429 -26.509 1.00 43.25 H new ATOM 0 HG13 ILE A 33 7.989 4.377 -25.135 1.00 43.25 H new ATOM 0 HG21 ILE A 33 7.493 7.697 -26.065 1.00 43.31 H new ATOM 0 HG22 ILE A 33 7.433 8.245 -24.373 1.00 43.31 H new ATOM 0 HG23 ILE A 33 8.778 7.222 -24.930 1.00 43.31 H new ATOM 0 HD11 ILE A 33 6.354 3.400 -26.670 1.00 65.14 H new ATOM 0 HD12 ILE A 33 5.596 3.768 -25.102 1.00 65.14 H new ATOM 0 HD13 ILE A 33 5.315 4.836 -26.498 1.00 65.14 H new ATOM 528 N TYR A 34 7.434 7.359 -21.379 1.00 35.12 N ATOM 529 CA TYR A 34 6.977 8.364 -20.426 1.00 21.53 C ATOM 530 C TYR A 34 7.126 9.768 -21.002 1.00 15.31 C ATOM 531 O TYR A 34 7.871 9.985 -21.957 1.00 33.34 O ATOM 532 CB TYR A 34 7.763 8.251 -19.118 1.00 63.24 C ATOM 533 CG TYR A 34 7.186 9.077 -17.991 1.00 52.24 C ATOM 534 CD1 TYR A 34 5.850 8.956 -17.629 1.00 52.22 C ATOM 535 CD2 TYR A 34 7.976 9.979 -17.290 1.00 14.43 C ATOM 536 CE1 TYR A 34 5.318 9.709 -16.601 1.00 15.53 C ATOM 537 CE2 TYR A 34 7.452 10.736 -16.259 1.00 22.31 C ATOM 538 CZ TYR A 34 6.123 10.597 -15.918 1.00 52.44 C ATOM 539 OH TYR A 34 5.597 11.350 -14.893 1.00 64.02 O ATOM 0 H TYR A 34 8.423 7.122 -21.301 1.00 35.12 H new ATOM 0 HA TYR A 34 5.921 8.184 -20.225 1.00 21.53 H new ATOM 0 HB2 TYR A 34 7.794 7.205 -18.812 1.00 63.24 H new ATOM 0 HB3 TYR A 34 8.793 8.562 -19.295 1.00 63.24 H new ATOM 0 HD1 TYR A 34 5.217 8.261 -18.161 1.00 52.22 H new ATOM 0 HD2 TYR A 34 9.017 10.091 -17.555 1.00 14.43 H new ATOM 0 HE1 TYR A 34 4.277 9.603 -16.333 1.00 15.53 H new ATOM 0 HE2 TYR A 34 8.080 11.433 -15.723 1.00 22.31 H new ATOM 0 HH TYR A 34 5.049 12.072 -15.265 1.00 64.02 H new ATOM 549 N GLY A 35 6.409 10.721 -20.413 1.00 4.42 N ATOM 550 CA GLY A 35 6.475 12.094 -20.880 1.00 32.05 C ATOM 551 C GLY A 35 6.759 13.074 -19.759 1.00 14.51 C ATOM 552 O GLY A 35 7.024 12.674 -18.626 1.00 60.25 O ATOM 0 H GLY A 35 5.784 10.567 -19.622 1.00 4.42 H new ATOM 0 HA2 GLY A 35 7.253 12.179 -21.639 1.00 32.05 H new ATOM 0 HA3 GLY A 35 5.532 12.358 -21.359 1.00 32.05 H new ATOM 556 N GLY A 36 6.704 14.365 -20.075 1.00 63.25 N ATOM 557 CA GLY A 36 6.962 15.385 -19.076 1.00 52.22 C ATOM 558 C GLY A 36 5.788 15.588 -18.139 1.00 20.13 C ATOM 559 O GLY A 36 5.897 16.299 -17.140 1.00 43.30 O ATOM 0 H GLY A 36 6.485 14.722 -21.005 1.00 63.25 H new ATOM 0 HA2 GLY A 36 7.842 15.107 -18.496 1.00 52.22 H new ATOM 0 HA3 GLY A 36 7.193 16.327 -19.574 1.00 52.22 H new ATOM 563 N VAL A 37 4.660 14.962 -18.461 1.00 43.31 N ATOM 564 CA VAL A 37 3.461 15.078 -17.641 1.00 34.14 C ATOM 565 C VAL A 37 3.531 14.153 -16.431 1.00 31.31 C ATOM 566 O VAL A 37 4.045 13.039 -16.517 1.00 62.54 O ATOM 567 CB VAL A 37 2.193 14.750 -18.451 1.00 74.31 C ATOM 568 CG1 VAL A 37 0.965 14.771 -17.554 1.00 34.24 C ATOM 569 CG2 VAL A 37 2.034 15.724 -19.609 1.00 32.32 C ATOM 0 H VAL A 37 4.552 14.369 -19.284 1.00 43.31 H new ATOM 0 HA VAL A 37 3.409 16.112 -17.302 1.00 34.14 H new ATOM 0 HB VAL A 37 2.296 13.746 -18.862 1.00 74.31 H new ATOM 0 HG11 VAL A 37 0.079 14.537 -18.144 1.00 34.24 H new ATOM 0 HG12 VAL A 37 1.080 14.030 -16.763 1.00 34.24 H new ATOM 0 HG13 VAL A 37 0.855 15.761 -17.111 1.00 34.24 H new ATOM 0 HG21 VAL A 37 1.133 15.478 -20.171 1.00 32.32 H new ATOM 0 HG22 VAL A 37 1.954 16.740 -19.222 1.00 32.32 H new ATOM 0 HG23 VAL A 37 2.901 15.654 -20.265 1.00 32.32 H new ATOM 579 N GLY A 38 3.009 14.623 -15.302 1.00 21.12 N ATOM 580 CA GLY A 38 3.022 13.825 -14.090 1.00 23.12 C ATOM 581 C GLY A 38 2.323 12.491 -14.266 1.00 44.40 C ATOM 582 O GLY A 38 1.172 12.438 -14.695 1.00 54.10 O ATOM 0 H GLY A 38 2.577 15.542 -15.205 1.00 21.12 H new ATOM 0 HA2 GLY A 38 4.054 13.653 -13.783 1.00 23.12 H new ATOM 0 HA3 GLY A 38 2.539 14.382 -13.287 1.00 23.12 H new ATOM 586 N GLY A 39 3.023 11.410 -13.935 1.00 72.13 N ATOM 587 CA GLY A 39 2.447 10.085 -14.068 1.00 73.41 C ATOM 588 C GLY A 39 2.444 9.320 -12.760 1.00 23.45 C ATOM 589 O GLY A 39 3.085 9.729 -11.792 1.00 54.33 O ATOM 0 H GLY A 39 3.978 11.428 -13.577 1.00 72.13 H new ATOM 0 HA2 GLY A 39 1.425 10.172 -14.437 1.00 73.41 H new ATOM 0 HA3 GLY A 39 3.008 9.522 -14.814 1.00 73.41 H new ATOM 593 N ASN A 40 1.720 8.205 -12.729 1.00 3.45 N ATOM 594 CA ASN A 40 1.635 7.382 -11.528 1.00 3.34 C ATOM 595 C ASN A 40 3.012 6.859 -11.128 1.00 75.23 C ATOM 596 O ASN A 40 4.023 7.223 -11.727 1.00 44.40 O ATOM 597 CB ASN A 40 0.678 6.211 -11.754 1.00 35.22 C ATOM 598 CG ASN A 40 -0.559 6.617 -12.532 1.00 62.25 C ATOM 599 OD1 ASN A 40 -0.675 6.334 -13.725 1.00 55.40 O ATOM 600 ND2 ASN A 40 -1.489 7.284 -11.859 1.00 73.43 N ATOM 0 H ASN A 40 1.184 7.851 -13.522 1.00 3.45 H new ATOM 0 HA ASN A 40 1.253 8.003 -10.718 1.00 3.34 H new ATOM 0 HB2 ASN A 40 1.198 5.419 -12.292 1.00 35.22 H new ATOM 0 HB3 ASN A 40 0.379 5.799 -10.790 1.00 35.22 H new ATOM 0 HD21 ASN A 40 -2.343 7.584 -12.330 1.00 73.43 H new ATOM 0 HD22 ASN A 40 -1.350 7.496 -10.871 1.00 73.43 H new ATOM 607 N SER A 41 3.041 6.001 -10.113 1.00 52.31 N ATOM 608 CA SER A 41 4.293 5.430 -9.631 1.00 72.42 C ATOM 609 C SER A 41 4.869 4.449 -10.648 1.00 32.31 C ATOM 610 O SER A 41 6.042 4.086 -10.581 1.00 4.04 O ATOM 611 CB SER A 41 4.073 4.723 -8.292 1.00 4.41 C ATOM 612 OG SER A 41 5.278 4.149 -7.815 1.00 72.21 O ATOM 0 H SER A 41 2.212 5.686 -9.609 1.00 52.31 H new ATOM 0 HA SER A 41 5.005 6.243 -9.492 1.00 72.42 H new ATOM 0 HB2 SER A 41 3.690 5.434 -7.560 1.00 4.41 H new ATOM 0 HB3 SER A 41 3.317 3.946 -8.407 1.00 4.41 H new ATOM 0 HG SER A 41 5.112 3.704 -6.958 1.00 72.21 H new ATOM 618 N ASN A 42 4.033 4.023 -11.590 1.00 11.24 N ATOM 619 CA ASN A 42 4.458 3.084 -12.621 1.00 33.41 C ATOM 620 C ASN A 42 5.688 3.604 -13.358 1.00 2.14 C ATOM 621 O ASN A 42 6.463 2.829 -13.917 1.00 53.54 O ATOM 622 CB ASN A 42 3.321 2.837 -13.615 1.00 31.22 C ATOM 623 CG ASN A 42 3.625 3.396 -14.991 1.00 53.22 C ATOM 624 OD1 ASN A 42 3.821 4.601 -15.155 1.00 35.44 O ATOM 625 ND2 ASN A 42 3.665 2.521 -15.990 1.00 11.45 N ATOM 0 H ASN A 42 3.058 4.313 -11.660 1.00 11.24 H new ATOM 0 HA ASN A 42 4.718 2.144 -12.135 1.00 33.41 H new ATOM 0 HB2 ASN A 42 3.137 1.766 -13.694 1.00 31.22 H new ATOM 0 HB3 ASN A 42 2.405 3.291 -13.236 1.00 31.22 H new ATOM 0 HD21 ASN A 42 3.864 2.839 -16.939 1.00 11.45 H new ATOM 0 HD22 ASN A 42 3.496 1.532 -15.808 1.00 11.45 H new ATOM 632 N ASN A 43 5.861 4.922 -13.352 1.00 21.11 N ATOM 633 CA ASN A 43 6.997 5.547 -14.019 1.00 64.44 C ATOM 634 C ASN A 43 8.270 5.383 -13.194 1.00 63.34 C ATOM 635 O ASN A 43 8.319 5.765 -12.025 1.00 54.11 O ATOM 636 CB ASN A 43 6.720 7.032 -14.261 1.00 23.23 C ATOM 637 CG ASN A 43 7.986 7.818 -14.541 1.00 44.03 C ATOM 638 OD1 ASN A 43 8.793 7.436 -15.390 1.00 35.24 O ATOM 639 ND2 ASN A 43 8.167 8.923 -13.827 1.00 52.25 N ATOM 0 H ASN A 43 5.229 5.578 -12.893 1.00 21.11 H new ATOM 0 HA ASN A 43 7.141 5.051 -14.979 1.00 64.44 H new ATOM 0 HB2 ASN A 43 6.036 7.139 -15.103 1.00 23.23 H new ATOM 0 HB3 ASN A 43 6.220 7.452 -13.388 1.00 23.23 H new ATOM 0 HD21 ASN A 43 9.001 9.493 -13.972 1.00 52.25 H new ATOM 0 HD22 ASN A 43 7.472 9.202 -13.134 1.00 52.25 H new ATOM 646 N PHE A 44 9.300 4.812 -13.812 1.00 14.32 N ATOM 647 CA PHE A 44 10.573 4.597 -13.135 1.00 43.21 C ATOM 648 C PHE A 44 11.731 4.644 -14.128 1.00 2.43 C ATOM 649 O PHE A 44 11.781 3.863 -15.079 1.00 10.31 O ATOM 650 CB PHE A 44 10.567 3.252 -12.405 1.00 54.35 C ATOM 651 CG PHE A 44 10.189 3.359 -10.956 1.00 35.32 C ATOM 652 CD1 PHE A 44 8.860 3.296 -10.566 1.00 63.42 C ATOM 653 CD2 PHE A 44 11.161 3.521 -9.983 1.00 2.24 C ATOM 654 CE1 PHE A 44 8.510 3.394 -9.233 1.00 12.01 C ATOM 655 CE2 PHE A 44 10.817 3.620 -8.648 1.00 33.24 C ATOM 656 CZ PHE A 44 9.489 3.555 -8.272 1.00 42.14 C ATOM 0 H PHE A 44 9.277 4.490 -14.780 1.00 14.32 H new ATOM 0 HA PHE A 44 10.708 5.397 -12.407 1.00 43.21 H new ATOM 0 HB2 PHE A 44 9.871 2.579 -12.905 1.00 54.35 H new ATOM 0 HB3 PHE A 44 11.557 2.801 -12.482 1.00 54.35 H new ATOM 0 HD1 PHE A 44 8.090 3.169 -11.312 1.00 63.42 H new ATOM 0 HD2 PHE A 44 12.201 3.571 -10.271 1.00 2.24 H new ATOM 0 HE1 PHE A 44 7.471 3.345 -8.942 1.00 12.01 H new ATOM 0 HE2 PHE A 44 11.585 3.748 -7.900 1.00 33.24 H new ATOM 0 HZ PHE A 44 9.217 3.630 -7.229 1.00 42.14 H new ATOM 666 N LEU A 45 12.660 5.566 -13.900 1.00 25.11 N ATOM 667 CA LEU A 45 13.819 5.717 -14.774 1.00 31.23 C ATOM 668 C LEU A 45 14.848 4.623 -14.507 1.00 3.32 C ATOM 669 O LEU A 45 15.935 4.623 -15.086 1.00 2.21 O ATOM 670 CB LEU A 45 14.457 7.093 -14.575 1.00 34.11 C ATOM 671 CG LEU A 45 13.563 8.297 -14.877 1.00 22.43 C ATOM 672 CD1 LEU A 45 12.687 8.625 -13.678 1.00 3.23 C ATOM 673 CD2 LEU A 45 14.406 9.501 -15.270 1.00 0.11 C ATOM 0 H LEU A 45 12.634 6.220 -13.118 1.00 25.11 H new ATOM 0 HA LEU A 45 13.479 5.627 -15.806 1.00 31.23 H new ATOM 0 HB2 LEU A 45 14.797 7.168 -13.542 1.00 34.11 H new ATOM 0 HB3 LEU A 45 15.343 7.156 -15.207 1.00 34.11 H new ATOM 0 HG LEU A 45 12.915 8.043 -15.716 1.00 22.43 H new ATOM 0 HD11 LEU A 45 12.058 9.484 -13.911 1.00 3.23 H new ATOM 0 HD12 LEU A 45 12.057 7.767 -13.442 1.00 3.23 H new ATOM 0 HD13 LEU A 45 13.317 8.859 -12.820 1.00 3.23 H new ATOM 0 HD21 LEU A 45 13.754 10.348 -15.481 1.00 0.11 H new ATOM 0 HD22 LEU A 45 15.079 9.756 -14.452 1.00 0.11 H new ATOM 0 HD23 LEU A 45 14.990 9.262 -16.159 1.00 0.11 H new ATOM 685 N THR A 46 14.498 3.690 -13.627 1.00 63.00 N ATOM 686 CA THR A 46 15.391 2.590 -13.284 1.00 34.10 C ATOM 687 C THR A 46 14.772 1.246 -13.650 1.00 30.43 C ATOM 688 O THR A 46 13.550 1.111 -13.720 1.00 42.14 O ATOM 689 CB THR A 46 15.734 2.593 -11.782 1.00 61.44 C ATOM 690 OG1 THR A 46 14.776 3.375 -11.062 1.00 15.21 O ATOM 691 CG2 THR A 46 17.130 3.149 -11.548 1.00 2.43 C ATOM 0 H THR A 46 13.602 3.674 -13.139 1.00 63.00 H new ATOM 0 HA THR A 46 16.306 2.734 -13.858 1.00 34.10 H new ATOM 0 HB THR A 46 15.705 1.564 -11.423 1.00 61.44 H new ATOM 0 HG1 THR A 46 15.235 3.908 -10.380 1.00 15.21 H new ATOM 0 HG21 THR A 46 17.350 3.142 -10.481 1.00 2.43 H new ATOM 0 HG22 THR A 46 17.860 2.533 -12.074 1.00 2.43 H new ATOM 0 HG23 THR A 46 17.182 4.172 -11.922 1.00 2.43 H new ATOM 699 N LYS A 47 15.623 0.252 -13.881 1.00 73.51 N ATOM 700 CA LYS A 47 15.160 -1.084 -14.238 1.00 23.51 C ATOM 701 C LYS A 47 14.867 -1.910 -12.989 1.00 62.34 C ATOM 702 O LYS A 47 13.717 -2.255 -12.719 1.00 4.03 O ATOM 703 CB LYS A 47 16.207 -1.796 -15.099 1.00 13.22 C ATOM 704 CG LYS A 47 15.623 -2.866 -16.005 1.00 43.22 C ATOM 705 CD LYS A 47 15.718 -4.244 -15.373 1.00 61.43 C ATOM 706 CE LYS A 47 16.966 -4.983 -15.831 1.00 44.24 C ATOM 707 NZ LYS A 47 16.674 -5.929 -16.944 1.00 4.13 N ATOM 0 H LYS A 47 16.637 0.346 -13.827 1.00 73.51 H new ATOM 0 HA LYS A 47 14.237 -0.981 -14.809 1.00 23.51 H new ATOM 0 HB2 LYS A 47 16.726 -1.058 -15.710 1.00 13.22 H new ATOM 0 HB3 LYS A 47 16.953 -2.251 -14.447 1.00 13.22 H new ATOM 0 HG2 LYS A 47 14.580 -2.634 -16.218 1.00 43.22 H new ATOM 0 HG3 LYS A 47 16.151 -2.865 -16.958 1.00 43.22 H new ATOM 0 HD2 LYS A 47 15.729 -4.147 -14.287 1.00 61.43 H new ATOM 0 HD3 LYS A 47 14.834 -4.826 -15.632 1.00 61.43 H new ATOM 0 HE2 LYS A 47 17.717 -4.262 -16.155 1.00 44.24 H new ATOM 0 HE3 LYS A 47 17.392 -5.531 -14.991 1.00 44.24 H new ATOM 0 HZ1 LYS A 47 17.550 -6.413 -17.227 1.00 4.13 H new ATOM 0 HZ2 LYS A 47 15.977 -6.633 -16.628 1.00 4.13 H new ATOM 0 HZ3 LYS A 47 16.291 -5.403 -17.755 1.00 4.13 H new ATOM 721 N GLU A 48 15.914 -2.222 -12.232 1.00 65.54 N ATOM 722 CA GLU A 48 15.767 -3.007 -11.012 1.00 64.23 C ATOM 723 C GLU A 48 14.701 -2.404 -10.102 1.00 42.25 C ATOM 724 O GLU A 48 13.883 -3.121 -9.526 1.00 63.21 O ATOM 725 CB GLU A 48 17.102 -3.089 -10.268 1.00 52.00 C ATOM 726 CG GLU A 48 17.743 -4.466 -10.318 1.00 1.52 C ATOM 727 CD GLU A 48 18.737 -4.687 -9.194 1.00 43.14 C ATOM 728 OE1 GLU A 48 18.312 -4.696 -8.020 1.00 60.41 O ATOM 729 OE2 GLU A 48 19.940 -4.850 -9.489 1.00 34.21 O ATOM 0 H GLU A 48 16.873 -1.943 -12.442 1.00 65.54 H new ATOM 0 HA GLU A 48 15.453 -4.012 -11.293 1.00 64.23 H new ATOM 0 HB2 GLU A 48 17.792 -2.361 -10.695 1.00 52.00 H new ATOM 0 HB3 GLU A 48 16.946 -2.808 -9.227 1.00 52.00 H new ATOM 0 HG2 GLU A 48 16.965 -5.227 -10.265 1.00 1.52 H new ATOM 0 HG3 GLU A 48 18.248 -4.593 -11.275 1.00 1.52 H new ATOM 736 N ASP A 49 14.718 -1.081 -9.978 1.00 74.34 N ATOM 737 CA ASP A 49 13.753 -0.380 -9.139 1.00 74.14 C ATOM 738 C ASP A 49 12.332 -0.849 -9.437 1.00 72.11 C ATOM 739 O ASP A 49 11.487 -0.909 -8.544 1.00 35.53 O ATOM 740 CB ASP A 49 13.860 1.130 -9.355 1.00 10.31 C ATOM 741 CG ASP A 49 15.066 1.730 -8.660 1.00 24.04 C ATOM 742 OD1 ASP A 49 16.040 0.987 -8.416 1.00 1.31 O ATOM 743 OD2 ASP A 49 15.036 2.942 -8.358 1.00 65.23 O ATOM 0 H ASP A 49 15.389 -0.473 -10.448 1.00 74.34 H new ATOM 0 HA ASP A 49 13.981 -0.608 -8.098 1.00 74.14 H new ATOM 0 HB2 ASP A 49 13.919 1.338 -10.423 1.00 10.31 H new ATOM 0 HB3 ASP A 49 12.955 1.612 -8.986 1.00 10.31 H new ATOM 748 N CYS A 50 12.075 -1.179 -10.698 1.00 62.34 N ATOM 749 CA CYS A 50 10.757 -1.641 -11.115 1.00 71.44 C ATOM 750 C CYS A 50 10.199 -2.659 -10.124 1.00 55.34 C ATOM 751 O CYS A 50 9.093 -2.496 -9.608 1.00 35.51 O ATOM 752 CB CYS A 50 10.829 -2.261 -12.513 1.00 11.54 C ATOM 753 SG CYS A 50 9.260 -2.988 -13.085 1.00 51.44 S ATOM 0 H CYS A 50 12.763 -1.135 -11.450 1.00 62.34 H new ATOM 0 HA CYS A 50 10.089 -0.780 -11.140 1.00 71.44 H new ATOM 0 HB2 CYS A 50 11.142 -1.495 -13.223 1.00 11.54 H new ATOM 0 HB3 CYS A 50 11.598 -3.034 -12.517 1.00 11.54 H new ATOM 758 N CYS A 51 10.971 -3.708 -9.863 1.00 43.34 N ATOM 759 CA CYS A 51 10.556 -4.752 -8.935 1.00 73.11 C ATOM 760 C CYS A 51 10.304 -4.176 -7.545 1.00 4.33 C ATOM 761 O CYS A 51 9.354 -4.562 -6.864 1.00 10.40 O ATOM 762 CB CYS A 51 11.619 -5.849 -8.860 1.00 23.33 C ATOM 763 SG CYS A 51 11.364 -7.041 -7.506 1.00 35.02 S ATOM 0 H CYS A 51 11.889 -3.858 -10.282 1.00 43.34 H new ATOM 0 HA CYS A 51 9.625 -5.182 -9.304 1.00 73.11 H new ATOM 0 HB2 CYS A 51 11.636 -6.389 -9.807 1.00 23.33 H new ATOM 0 HB3 CYS A 51 12.598 -5.384 -8.741 1.00 23.33 H new ATOM 768 N ARG A 52 11.163 -3.250 -7.130 1.00 51.32 N ATOM 769 CA ARG A 52 11.035 -2.621 -5.821 1.00 51.52 C ATOM 770 C ARG A 52 9.607 -2.136 -5.588 1.00 50.33 C ATOM 771 O ARG A 52 9.079 -2.240 -4.482 1.00 22.13 O ATOM 772 CB ARG A 52 12.010 -1.448 -5.698 1.00 14.10 C ATOM 773 CG ARG A 52 12.739 -1.399 -4.365 1.00 74.41 C ATOM 774 CD ARG A 52 13.592 -2.640 -4.151 1.00 50.25 C ATOM 775 NE ARG A 52 14.716 -2.383 -3.255 1.00 34.24 N ATOM 776 CZ ARG A 52 15.576 -3.319 -2.868 1.00 12.31 C ATOM 777 NH1 ARG A 52 15.442 -4.566 -3.298 1.00 14.31 N ATOM 778 NH2 ARG A 52 16.573 -3.007 -2.050 1.00 20.52 N ATOM 0 H ARG A 52 11.955 -2.919 -7.681 1.00 51.32 H new ATOM 0 HA ARG A 52 11.276 -3.366 -5.063 1.00 51.52 H new ATOM 0 HB2 ARG A 52 12.744 -1.511 -6.502 1.00 14.10 H new ATOM 0 HB3 ARG A 52 11.463 -0.516 -5.838 1.00 14.10 H new ATOM 0 HG2 ARG A 52 13.370 -0.511 -4.327 1.00 74.41 H new ATOM 0 HG3 ARG A 52 12.014 -1.310 -3.556 1.00 74.41 H new ATOM 0 HD2 ARG A 52 12.974 -3.438 -3.738 1.00 50.25 H new ATOM 0 HD3 ARG A 52 13.967 -2.992 -5.112 1.00 50.25 H new ATOM 0 HE ARG A 52 14.848 -1.433 -2.907 1.00 34.24 H new ATOM 0 HH11 ARG A 52 14.677 -4.809 -3.928 1.00 14.31 H new ATOM 0 HH12 ARG A 52 16.104 -5.282 -2.999 1.00 14.31 H new ATOM 0 HH21 ARG A 52 16.679 -2.048 -1.718 1.00 20.52 H new ATOM 0 HH22 ARG A 52 17.233 -3.726 -1.753 1.00 20.52 H new ATOM 792 N GLU A 53 8.989 -1.605 -6.639 1.00 32.12 N ATOM 793 CA GLU A 53 7.623 -1.103 -6.547 1.00 72.22 C ATOM 794 C GLU A 53 6.699 -2.148 -5.928 1.00 24.41 C ATOM 795 O GLU A 53 5.888 -1.838 -5.055 1.00 51.44 O ATOM 796 CB GLU A 53 7.107 -0.708 -7.933 1.00 1.05 C ATOM 797 CG GLU A 53 6.670 0.744 -8.028 1.00 3.20 C ATOM 798 CD GLU A 53 6.003 1.067 -9.351 1.00 3.11 C ATOM 799 OE1 GLU A 53 6.669 0.938 -10.399 1.00 65.20 O ATOM 800 OE2 GLU A 53 4.814 1.449 -9.337 1.00 43.14 O ATOM 0 H GLU A 53 9.412 -1.512 -7.562 1.00 32.12 H new ATOM 0 HA GLU A 53 7.630 -0.223 -5.904 1.00 72.22 H new ATOM 0 HB2 GLU A 53 7.890 -0.892 -8.669 1.00 1.05 H new ATOM 0 HB3 GLU A 53 6.266 -1.350 -8.195 1.00 1.05 H new ATOM 0 HG2 GLU A 53 5.980 0.966 -7.214 1.00 3.20 H new ATOM 0 HG3 GLU A 53 7.538 1.390 -7.896 1.00 3.20 H new ATOM 807 N CYS A 54 6.829 -3.389 -6.386 1.00 32.13 N ATOM 808 CA CYS A 54 6.007 -4.481 -5.879 1.00 73.30 C ATOM 809 C CYS A 54 6.764 -5.291 -4.831 1.00 1.05 C ATOM 810 O CYS A 54 6.180 -6.115 -4.127 1.00 65.01 O ATOM 811 CB CYS A 54 5.570 -5.394 -7.027 1.00 4.11 C ATOM 812 SG CYS A 54 3.783 -5.744 -7.060 1.00 50.34 S ATOM 0 H CYS A 54 7.496 -3.663 -7.107 1.00 32.13 H new ATOM 0 HA CYS A 54 5.123 -4.049 -5.410 1.00 73.30 H new ATOM 0 HB2 CYS A 54 5.857 -4.933 -7.972 1.00 4.11 H new ATOM 0 HB3 CYS A 54 6.113 -6.337 -6.954 1.00 4.11 H new ATOM 817 N ALA A 55 8.067 -5.049 -4.732 1.00 63.53 N ATOM 818 CA ALA A 55 8.904 -5.754 -3.769 1.00 2.21 C ATOM 819 C ALA A 55 8.480 -5.437 -2.339 1.00 23.33 C ATOM 820 O ALA A 55 8.879 -6.123 -1.398 1.00 72.50 O ATOM 821 CB ALA A 55 10.368 -5.395 -3.979 1.00 53.23 C ATOM 0 H ALA A 55 8.566 -4.370 -5.307 1.00 63.53 H new ATOM 0 HA ALA A 55 8.777 -6.825 -3.930 1.00 2.21 H new ATOM 0 HB1 ALA A 55 10.981 -5.929 -3.253 1.00 53.23 H new ATOM 0 HB2 ALA A 55 10.671 -5.677 -4.987 1.00 53.23 H new ATOM 0 HB3 ALA A 55 10.502 -4.321 -3.847 1.00 53.23 H new ATOM 827 N GLN A 56 7.671 -4.394 -2.183 1.00 63.32 N ATOM 828 CA GLN A 56 7.195 -3.987 -0.867 1.00 2.04 C ATOM 829 C GLN A 56 6.184 -4.989 -0.319 1.00 65.31 C ATOM 830 O GLN A 56 6.014 -5.115 0.893 1.00 70.23 O ATOM 831 CB GLN A 56 6.564 -2.595 -0.937 1.00 62.32 C ATOM 832 CG GLN A 56 7.513 -1.523 -1.448 1.00 14.53 C ATOM 833 CD GLN A 56 8.791 -1.440 -0.637 1.00 62.24 C ATOM 834 OE1 GLN A 56 9.892 -1.448 -1.190 1.00 14.30 O ATOM 835 NE2 GLN A 56 8.653 -1.361 0.681 1.00 52.11 N ATOM 0 H GLN A 56 7.332 -3.816 -2.952 1.00 63.32 H new ATOM 0 HA GLN A 56 8.051 -3.957 -0.193 1.00 2.04 H new ATOM 0 HB2 GLN A 56 5.689 -2.634 -1.586 1.00 62.32 H new ATOM 0 HB3 GLN A 56 6.212 -2.314 0.056 1.00 62.32 H new ATOM 0 HG2 GLN A 56 7.761 -1.729 -2.489 1.00 14.53 H new ATOM 0 HG3 GLN A 56 7.009 -0.557 -1.425 1.00 14.53 H new ATOM 0 HE21 GLN A 56 7.722 -1.357 1.097 1.00 52.11 H new ATOM 0 HE22 GLN A 56 9.478 -1.304 1.278 1.00 52.11 H new ATOM 844 N GLY A 57 5.515 -5.701 -1.221 1.00 45.15 N ATOM 845 CA GLY A 57 4.529 -6.683 -0.809 1.00 44.33 C ATOM 846 C GLY A 57 4.141 -7.622 -1.934 1.00 1.20 C ATOM 847 O GLY A 57 2.958 -7.880 -2.156 1.00 22.03 O ATOM 0 H GLY A 57 5.638 -5.615 -2.230 1.00 45.15 H new ATOM 0 HA2 GLY A 57 4.925 -7.263 0.024 1.00 44.33 H new ATOM 0 HA3 GLY A 57 3.639 -6.169 -0.445 1.00 44.33 H new ATOM 851 N SER A 58 5.139 -8.133 -2.647 1.00 65.12 N ATOM 852 CA SER A 58 4.896 -9.045 -3.759 1.00 0.20 C ATOM 853 C SER A 58 6.211 -9.518 -4.371 1.00 52.14 C ATOM 854 O SER A 58 6.589 -10.682 -4.235 1.00 44.25 O ATOM 855 CB SER A 58 4.039 -8.363 -4.827 1.00 40.21 C ATOM 856 OG SER A 58 3.167 -9.290 -5.450 1.00 14.15 O ATOM 0 H SER A 58 6.124 -7.931 -2.475 1.00 65.12 H new ATOM 0 HA SER A 58 4.361 -9.914 -3.374 1.00 0.20 H new ATOM 0 HB2 SER A 58 3.458 -7.560 -4.373 1.00 40.21 H new ATOM 0 HB3 SER A 58 4.684 -7.905 -5.577 1.00 40.21 H new ATOM 0 HG SER A 58 2.796 -8.893 -6.266 1.00 14.15 H new ATOM 862 N CYS A 59 6.903 -8.607 -5.047 1.00 3.23 N ATOM 863 CA CYS A 59 8.176 -8.928 -5.681 1.00 73.35 C ATOM 864 C CYS A 59 9.262 -9.161 -4.635 1.00 60.13 C ATOM 865 O CYS A 59 9.856 -10.238 -4.572 1.00 51.43 O ATOM 866 CB CYS A 59 8.597 -7.802 -6.628 1.00 35.13 C ATOM 867 SG CYS A 59 9.874 -8.283 -7.834 1.00 71.02 S ATOM 0 H CYS A 59 6.603 -7.640 -5.170 1.00 3.23 H new ATOM 0 HA CYS A 59 8.046 -9.846 -6.254 1.00 73.35 H new ATOM 0 HB2 CYS A 59 7.718 -7.448 -7.167 1.00 35.13 H new ATOM 0 HB3 CYS A 59 8.968 -6.964 -6.037 1.00 35.13 H new TER 872 CYS A 59