USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 413 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 37 THR OG1 : rot 180:sc= 0.0103 USER MOD Set 1.2: A 41 ASN : amide:sc= -3.24! C(o=-3.2!,f=-2.8!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= -0.115 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -163:sc= -0.0767 (180deg=-0.471) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0139 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.546 K(o=-0.55,f=-4.4!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0.529 K(o=0.53,f=-0.045) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.209 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0813 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.16 K(o=-1.2,f=-2.1) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0.16) USER MOD ----------------------------------------------------------------- ATOM 11 N LYS A 2 0.851 -2.095 -1.809 1.00 43.04 N ATOM 12 CA LYS A 2 0.721 -3.382 -2.481 1.00 71.52 C ATOM 13 C LYS A 2 -0.455 -3.372 -3.453 1.00 22.51 C ATOM 14 O LYS A 2 -1.598 -3.142 -3.057 1.00 43.43 O ATOM 15 CB LYS A 2 0.537 -4.501 -1.453 1.00 70.01 C ATOM 16 CG LYS A 2 -0.663 -4.300 -0.543 1.00 43.14 C ATOM 17 CD LYS A 2 -0.293 -4.491 0.918 1.00 63.31 C ATOM 18 CE LYS A 2 0.538 -3.329 1.439 1.00 0.24 C ATOM 19 NZ LYS A 2 -0.302 -2.313 2.132 1.00 74.11 N ATOM 0 HA LYS A 2 1.635 -3.563 -3.046 1.00 71.52 H new ATOM 0 HB2 LYS A 2 0.430 -5.451 -1.977 1.00 70.01 H new ATOM 0 HB3 LYS A 2 1.437 -4.574 -0.843 1.00 70.01 H new ATOM 0 HG2 LYS A 2 -1.068 -3.298 -0.689 1.00 43.14 H new ATOM 0 HG3 LYS A 2 -1.449 -5.004 -0.815 1.00 43.14 H new ATOM 0 HD2 LYS A 2 -1.200 -4.587 1.515 1.00 63.31 H new ATOM 0 HD3 LYS A 2 0.265 -5.420 1.035 1.00 63.31 H new ATOM 0 HE2 LYS A 2 1.296 -3.704 2.127 1.00 0.24 H new ATOM 0 HE3 LYS A 2 1.066 -2.859 0.609 1.00 0.24 H new ATOM 0 HZ1 LYS A 2 0.301 -1.537 2.472 1.00 74.11 H new ATOM 0 HZ2 LYS A 2 -1.009 -1.936 1.469 1.00 74.11 H new ATOM 0 HZ3 LYS A 2 -0.786 -2.755 2.939 1.00 74.11 H new ATOM 33 N TYR A 3 -0.167 -3.625 -4.725 1.00 32.52 N ATOM 34 CA TYR A 3 -1.201 -3.645 -5.753 1.00 2.40 C ATOM 35 C TYR A 3 -1.424 -5.061 -6.275 1.00 11.32 C ATOM 36 O TYR A 3 -0.473 -5.778 -6.589 1.00 11.45 O ATOM 37 CB TYR A 3 -0.818 -2.718 -6.908 1.00 42.01 C ATOM 38 CG TYR A 3 -0.831 -1.252 -6.538 1.00 40.13 C ATOM 39 CD1 TYR A 3 -2.009 -0.622 -6.156 1.00 73.42 C ATOM 40 CD2 TYR A 3 0.334 -0.496 -6.572 1.00 23.12 C ATOM 41 CE1 TYR A 3 -2.026 0.717 -5.818 1.00 75.01 C ATOM 42 CE2 TYR A 3 0.327 0.843 -6.234 1.00 12.30 C ATOM 43 CZ TYR A 3 -0.856 1.445 -5.858 1.00 41.30 C ATOM 44 OH TYR A 3 -0.868 2.780 -5.522 1.00 63.31 O ATOM 0 H TYR A 3 0.774 -3.819 -5.069 1.00 32.52 H new ATOM 0 HA TYR A 3 -2.130 -3.293 -5.305 1.00 2.40 H new ATOM 0 HB2 TYR A 3 0.177 -2.986 -7.263 1.00 42.01 H new ATOM 0 HB3 TYR A 3 -1.507 -2.881 -7.737 1.00 42.01 H new ATOM 0 HD1 TYR A 3 -2.927 -1.189 -6.123 1.00 73.42 H new ATOM 0 HD2 TYR A 3 1.261 -0.964 -6.868 1.00 23.12 H new ATOM 0 HE1 TYR A 3 -2.951 1.191 -5.524 1.00 75.01 H new ATOM 0 HE2 TYR A 3 1.242 1.416 -6.264 1.00 12.30 H new ATOM 0 HH TYR A 3 0.038 3.145 -5.601 1.00 63.31 H new ATOM 54 N THR A 4 -2.690 -5.458 -6.366 1.00 25.31 N ATOM 55 CA THR A 4 -3.040 -6.788 -6.849 1.00 11.12 C ATOM 56 C THR A 4 -3.635 -6.724 -8.251 1.00 34.44 C ATOM 57 O THR A 4 -4.618 -6.022 -8.487 1.00 65.43 O ATOM 58 CB THR A 4 -4.044 -7.481 -5.908 1.00 2.31 C ATOM 59 OG1 THR A 4 -4.243 -6.686 -4.733 1.00 72.15 O ATOM 60 CG2 THR A 4 -3.549 -8.864 -5.513 1.00 0.14 C ATOM 0 H THR A 4 -3.489 -4.878 -6.112 1.00 25.31 H new ATOM 0 HA THR A 4 -2.118 -7.368 -6.875 1.00 11.12 H new ATOM 0 HB THR A 4 -4.990 -7.589 -6.438 1.00 2.31 H new ATOM 0 HG1 THR A 4 -4.884 -7.132 -4.141 1.00 72.15 H new ATOM 0 HG21 THR A 4 -4.274 -9.334 -4.849 1.00 0.14 H new ATOM 0 HG22 THR A 4 -3.426 -9.476 -6.407 1.00 0.14 H new ATOM 0 HG23 THR A 4 -2.591 -8.775 -5.000 1.00 0.14 H new ATOM 68 N GLY A 5 -3.034 -7.464 -9.178 1.00 53.31 N ATOM 69 CA GLY A 5 -3.520 -7.477 -10.546 1.00 21.24 C ATOM 70 C GLY A 5 -3.569 -8.875 -11.130 1.00 23.13 C ATOM 71 O GLY A 5 -2.926 -9.793 -10.619 1.00 0.30 O ATOM 0 H GLY A 5 -2.220 -8.054 -9.006 1.00 53.31 H new ATOM 0 HA2 GLY A 5 -4.517 -7.038 -10.578 1.00 21.24 H new ATOM 0 HA3 GLY A 5 -2.876 -6.851 -11.163 1.00 21.24 H new ATOM 75 N LYS A 6 -4.334 -9.040 -12.203 1.00 15.30 N ATOM 76 CA LYS A 6 -4.466 -10.336 -12.858 1.00 52.31 C ATOM 77 C LYS A 6 -3.892 -10.292 -14.271 1.00 31.14 C ATOM 78 O LYS A 6 -4.057 -9.305 -14.989 1.00 31.43 O ATOM 79 CB LYS A 6 -5.936 -10.759 -12.906 1.00 51.23 C ATOM 80 CG LYS A 6 -6.618 -10.745 -11.549 1.00 41.42 C ATOM 81 CD LYS A 6 -7.700 -9.681 -11.480 1.00 55.51 C ATOM 82 CE LYS A 6 -9.065 -10.250 -11.836 1.00 52.14 C ATOM 83 NZ LYS A 6 -10.162 -9.285 -11.546 1.00 23.12 N ATOM 0 H LYS A 6 -4.873 -8.291 -12.638 1.00 15.30 H new ATOM 0 HA LYS A 6 -3.903 -11.067 -12.278 1.00 52.31 H new ATOM 0 HB2 LYS A 6 -6.475 -10.094 -13.581 1.00 51.23 H new ATOM 0 HB3 LYS A 6 -6.003 -11.762 -13.327 1.00 51.23 H new ATOM 0 HG2 LYS A 6 -7.055 -11.723 -11.350 1.00 41.42 H new ATOM 0 HG3 LYS A 6 -5.877 -10.563 -10.770 1.00 41.42 H new ATOM 0 HD2 LYS A 6 -7.732 -9.258 -10.476 1.00 55.51 H new ATOM 0 HD3 LYS A 6 -7.455 -8.867 -12.162 1.00 55.51 H new ATOM 0 HE2 LYS A 6 -9.084 -10.514 -12.893 1.00 52.14 H new ATOM 0 HE3 LYS A 6 -9.233 -11.169 -11.275 1.00 52.14 H new ATOM 0 HZ1 LYS A 6 -11.076 -9.711 -11.802 1.00 23.12 H new ATOM 0 HZ2 LYS A 6 -10.161 -9.052 -10.532 1.00 23.12 H new ATOM 0 HZ3 LYS A 6 -10.017 -8.417 -12.100 1.00 23.12 H new ATOM 97 N CYS A 7 -3.219 -11.368 -14.664 1.00 43.11 N ATOM 98 CA CYS A 7 -2.621 -11.454 -15.991 1.00 40.51 C ATOM 99 C CYS A 7 -3.114 -12.694 -16.731 1.00 12.22 C ATOM 100 O CYS A 7 -3.693 -13.600 -16.130 1.00 64.24 O ATOM 101 CB CYS A 7 -1.095 -11.483 -15.885 1.00 40.41 C ATOM 102 SG CYS A 7 -0.406 -13.130 -15.526 1.00 62.45 S ATOM 0 H CYS A 7 -3.074 -12.193 -14.082 1.00 43.11 H new ATOM 0 HA CYS A 7 -2.923 -10.572 -16.556 1.00 40.51 H new ATOM 0 HB2 CYS A 7 -0.670 -11.119 -16.820 1.00 40.41 H new ATOM 0 HB3 CYS A 7 -0.783 -10.792 -15.102 1.00 40.41 H new ATOM 107 N THR A 8 -2.881 -12.728 -18.039 1.00 51.53 N ATOM 108 CA THR A 8 -3.302 -13.855 -18.862 1.00 4.23 C ATOM 109 C THR A 8 -2.100 -14.584 -19.450 1.00 63.54 C ATOM 110 O THR A 8 -1.047 -13.987 -19.676 1.00 23.54 O ATOM 111 CB THR A 8 -4.224 -13.400 -20.009 1.00 31.35 C ATOM 112 OG1 THR A 8 -4.481 -11.996 -19.903 1.00 52.50 O ATOM 113 CG2 THR A 8 -5.539 -14.165 -19.981 1.00 21.01 C ATOM 0 H THR A 8 -2.403 -11.987 -18.552 1.00 51.53 H new ATOM 0 HA THR A 8 -3.853 -14.534 -18.211 1.00 4.23 H new ATOM 0 HB THR A 8 -3.721 -13.606 -20.954 1.00 31.35 H new ATOM 0 HG1 THR A 8 -5.066 -11.714 -20.637 1.00 52.50 H new ATOM 0 HG21 THR A 8 -6.174 -13.827 -20.800 1.00 21.01 H new ATOM 0 HG22 THR A 8 -5.342 -15.231 -20.091 1.00 21.01 H new ATOM 0 HG23 THR A 8 -6.044 -13.985 -19.032 1.00 21.01 H new ATOM 121 N LYS A 9 -2.263 -15.879 -19.699 1.00 31.52 N ATOM 122 CA LYS A 9 -1.192 -16.692 -20.264 1.00 12.22 C ATOM 123 C LYS A 9 -1.043 -16.432 -21.760 1.00 34.05 C ATOM 124 O LYS A 9 0.024 -16.647 -22.333 1.00 61.13 O ATOM 125 CB LYS A 9 -1.467 -18.177 -20.018 1.00 60.13 C ATOM 126 CG LYS A 9 -2.561 -18.748 -20.904 1.00 15.35 C ATOM 127 CD LYS A 9 -2.682 -20.254 -20.740 1.00 52.45 C ATOM 128 CE LYS A 9 -1.441 -20.971 -21.250 1.00 13.40 C ATOM 129 NZ LYS A 9 -1.156 -20.641 -22.674 1.00 23.21 N ATOM 0 H LYS A 9 -3.128 -16.389 -19.518 1.00 31.52 H new ATOM 0 HA LYS A 9 -0.260 -16.415 -19.771 1.00 12.22 H new ATOM 0 HB2 LYS A 9 -0.548 -18.740 -20.181 1.00 60.13 H new ATOM 0 HB3 LYS A 9 -1.746 -18.318 -18.974 1.00 60.13 H new ATOM 0 HG2 LYS A 9 -3.513 -18.277 -20.658 1.00 15.35 H new ATOM 0 HG3 LYS A 9 -2.347 -18.511 -21.946 1.00 15.35 H new ATOM 0 HD2 LYS A 9 -2.837 -20.495 -19.688 1.00 52.45 H new ATOM 0 HD3 LYS A 9 -3.558 -20.611 -21.281 1.00 52.45 H new ATOM 0 HE2 LYS A 9 -0.584 -20.696 -20.635 1.00 13.40 H new ATOM 0 HE3 LYS A 9 -1.575 -22.048 -21.147 1.00 13.40 H new ATOM 0 HZ1 LYS A 9 -0.500 -21.345 -23.069 1.00 23.21 H new ATOM 0 HZ2 LYS A 9 -2.043 -20.652 -23.217 1.00 23.21 H new ATOM 0 HZ3 LYS A 9 -0.726 -19.696 -22.732 1.00 23.21 H new ATOM 143 N SER A 10 -2.120 -15.967 -22.385 1.00 33.12 N ATOM 144 CA SER A 10 -2.110 -15.680 -23.814 1.00 62.15 C ATOM 145 C SER A 10 -1.520 -14.300 -24.087 1.00 40.41 C ATOM 146 O SER A 10 -0.670 -14.136 -24.963 1.00 32.12 O ATOM 147 CB SER A 10 -3.528 -15.763 -24.383 1.00 44.22 C ATOM 148 OG SER A 10 -4.437 -15.014 -23.596 1.00 34.11 O ATOM 0 H SER A 10 -3.011 -15.781 -21.924 1.00 33.12 H new ATOM 0 HA SER A 10 -1.485 -16.426 -24.305 1.00 62.15 H new ATOM 0 HB2 SER A 10 -3.535 -15.389 -25.407 1.00 44.22 H new ATOM 0 HB3 SER A 10 -3.848 -16.804 -24.421 1.00 44.22 H new ATOM 0 HG SER A 10 -5.336 -15.081 -23.981 1.00 34.11 H new ATOM 154 N LYS A 11 -1.977 -13.308 -23.330 1.00 54.12 N ATOM 155 CA LYS A 11 -1.496 -11.941 -23.487 1.00 51.51 C ATOM 156 C LYS A 11 -0.254 -11.700 -22.635 1.00 14.44 C ATOM 157 O LYS A 11 0.468 -10.724 -22.835 1.00 73.11 O ATOM 158 CB LYS A 11 -2.593 -10.945 -23.103 1.00 2.25 C ATOM 159 CG LYS A 11 -2.399 -9.564 -23.704 1.00 45.31 C ATOM 160 CD LYS A 11 -3.190 -8.510 -22.948 1.00 2.21 C ATOM 161 CE LYS A 11 -4.086 -7.709 -23.881 1.00 23.51 C ATOM 162 NZ LYS A 11 -5.429 -8.334 -24.031 1.00 60.53 N ATOM 0 H LYS A 11 -2.681 -13.426 -22.601 1.00 54.12 H new ATOM 0 HA LYS A 11 -1.231 -11.794 -24.534 1.00 51.51 H new ATOM 0 HB2 LYS A 11 -3.558 -11.339 -23.423 1.00 2.25 H new ATOM 0 HB3 LYS A 11 -2.629 -10.858 -22.017 1.00 2.25 H new ATOM 0 HG2 LYS A 11 -1.340 -9.305 -23.689 1.00 45.31 H new ATOM 0 HG3 LYS A 11 -2.710 -9.574 -24.749 1.00 45.31 H new ATOM 0 HD2 LYS A 11 -3.798 -8.990 -22.181 1.00 2.21 H new ATOM 0 HD3 LYS A 11 -2.503 -7.837 -22.435 1.00 2.21 H new ATOM 0 HE2 LYS A 11 -4.198 -6.695 -23.496 1.00 23.51 H new ATOM 0 HE3 LYS A 11 -3.612 -7.628 -24.859 1.00 23.51 H new ATOM 0 HZ1 LYS A 11 -6.010 -7.759 -24.674 1.00 60.53 H new ATOM 0 HZ2 LYS A 11 -5.324 -9.292 -24.422 1.00 60.53 H new ATOM 0 HZ3 LYS A 11 -5.892 -8.389 -23.102 1.00 60.53 H new ATOM 176 N ASN A 12 -0.012 -12.596 -21.684 1.00 22.12 N ATOM 177 CA ASN A 12 1.144 -12.481 -20.802 1.00 13.25 C ATOM 178 C ASN A 12 1.256 -11.069 -20.235 1.00 5.15 C ATOM 179 O ASN A 12 2.357 -10.564 -20.016 1.00 40.22 O ATOM 180 CB ASN A 12 2.425 -12.844 -21.555 1.00 0.31 C ATOM 181 CG ASN A 12 3.243 -13.896 -20.831 1.00 50.20 C ATOM 182 OD1 ASN A 12 2.810 -15.038 -20.678 1.00 12.12 O ATOM 183 ND2 ASN A 12 4.433 -13.514 -20.382 1.00 32.14 N ATOM 0 H ASN A 12 -0.601 -13.409 -21.504 1.00 22.12 H new ATOM 0 HA ASN A 12 1.009 -13.177 -19.974 1.00 13.25 H new ATOM 0 HB2 ASN A 12 2.168 -13.209 -22.549 1.00 0.31 H new ATOM 0 HB3 ASN A 12 3.030 -11.947 -21.691 1.00 0.31 H new ATOM 0 HD21 ASN A 12 5.029 -14.178 -19.887 1.00 32.14 H new ATOM 0 HD22 ASN A 12 4.751 -12.557 -20.532 1.00 32.14 H new ATOM 190 N GLU A 13 0.110 -10.439 -19.998 1.00 41.42 N ATOM 191 CA GLU A 13 0.081 -9.085 -19.457 1.00 11.02 C ATOM 192 C GLU A 13 -0.825 -9.009 -18.231 1.00 53.43 C ATOM 193 O GLU A 13 -1.931 -9.550 -18.228 1.00 72.11 O ATOM 194 CB GLU A 13 -0.398 -8.096 -20.522 1.00 33.25 C ATOM 195 CG GLU A 13 -0.383 -6.649 -20.059 1.00 43.12 C ATOM 196 CD GLU A 13 -1.369 -5.783 -20.819 1.00 44.01 C ATOM 197 OE1 GLU A 13 -2.585 -6.048 -20.728 1.00 73.30 O ATOM 198 OE2 GLU A 13 -0.923 -4.839 -21.505 1.00 64.30 O ATOM 0 H GLU A 13 -0.810 -10.844 -20.172 1.00 41.42 H new ATOM 0 HA GLU A 13 1.094 -8.819 -19.156 1.00 11.02 H new ATOM 0 HB2 GLU A 13 0.233 -8.193 -21.406 1.00 33.25 H new ATOM 0 HB3 GLU A 13 -1.411 -8.362 -20.823 1.00 33.25 H new ATOM 0 HG2 GLU A 13 -0.616 -6.610 -18.995 1.00 43.12 H new ATOM 0 HG3 GLU A 13 0.621 -6.243 -20.181 1.00 43.12 H new ATOM 205 N CYS A 14 -0.348 -8.333 -17.191 1.00 53.24 N ATOM 206 CA CYS A 14 -1.113 -8.185 -15.959 1.00 21.21 C ATOM 207 C CYS A 14 -1.864 -6.857 -15.941 1.00 35.33 C ATOM 208 O CYS A 14 -1.563 -5.949 -16.716 1.00 22.43 O ATOM 209 CB CYS A 14 -0.186 -8.276 -14.745 1.00 40.11 C ATOM 210 SG CYS A 14 -1.010 -8.837 -13.220 1.00 51.34 S ATOM 0 H CYS A 14 0.565 -7.879 -17.177 1.00 53.24 H new ATOM 0 HA CYS A 14 -1.841 -8.995 -15.913 1.00 21.21 H new ATOM 0 HB2 CYS A 14 0.631 -8.959 -14.976 1.00 40.11 H new ATOM 0 HB3 CYS A 14 0.258 -7.297 -14.566 1.00 40.11 H new ATOM 215 N LYS A 15 -2.845 -6.751 -15.050 1.00 41.13 N ATOM 216 CA LYS A 15 -3.640 -5.535 -14.928 1.00 42.33 C ATOM 217 C LYS A 15 -4.030 -5.283 -13.475 1.00 63.02 C ATOM 218 O LYS A 15 -4.639 -6.136 -12.829 1.00 64.22 O ATOM 219 CB LYS A 15 -4.897 -5.633 -15.795 1.00 71.51 C ATOM 220 CG LYS A 15 -5.879 -6.692 -15.324 1.00 31.11 C ATOM 221 CD LYS A 15 -6.990 -6.087 -14.483 1.00 13.14 C ATOM 222 CE LYS A 15 -8.229 -5.802 -15.317 1.00 53.35 C ATOM 223 NZ LYS A 15 -9.330 -6.760 -15.022 1.00 61.30 N ATOM 0 H LYS A 15 -3.108 -7.493 -14.402 1.00 41.13 H new ATOM 0 HA LYS A 15 -3.033 -4.698 -15.273 1.00 42.33 H new ATOM 0 HB2 LYS A 15 -5.397 -4.665 -15.806 1.00 71.51 H new ATOM 0 HB3 LYS A 15 -4.604 -5.852 -16.822 1.00 71.51 H new ATOM 0 HG2 LYS A 15 -6.310 -7.200 -16.187 1.00 31.11 H new ATOM 0 HG3 LYS A 15 -5.350 -7.447 -14.742 1.00 31.11 H new ATOM 0 HD2 LYS A 15 -7.245 -6.768 -13.671 1.00 13.14 H new ATOM 0 HD3 LYS A 15 -6.638 -5.163 -14.025 1.00 13.14 H new ATOM 0 HE2 LYS A 15 -8.571 -4.785 -15.123 1.00 53.35 H new ATOM 0 HE3 LYS A 15 -7.974 -5.856 -16.375 1.00 53.35 H new ATOM 0 HZ1 LYS A 15 -10.156 -6.531 -15.611 1.00 61.30 H new ATOM 0 HZ2 LYS A 15 -9.013 -7.728 -15.231 1.00 61.30 H new ATOM 0 HZ3 LYS A 15 -9.591 -6.690 -14.018 1.00 61.30 H new ATOM 237 N TYR A 16 -3.677 -4.107 -12.968 1.00 64.30 N ATOM 238 CA TYR A 16 -3.989 -3.744 -11.591 1.00 31.11 C ATOM 239 C TYR A 16 -4.443 -2.290 -11.500 1.00 71.45 C ATOM 240 O TYR A 16 -4.242 -1.505 -12.428 1.00 32.45 O ATOM 241 CB TYR A 16 -2.770 -3.966 -10.694 1.00 33.13 C ATOM 242 CG TYR A 16 -1.659 -2.968 -10.924 1.00 44.54 C ATOM 243 CD1 TYR A 16 -1.622 -1.766 -10.227 1.00 60.12 C ATOM 244 CD2 TYR A 16 -0.646 -3.225 -11.840 1.00 2.31 C ATOM 245 CE1 TYR A 16 -0.609 -0.850 -10.435 1.00 63.31 C ATOM 246 CE2 TYR A 16 0.372 -2.315 -12.053 1.00 61.51 C ATOM 247 CZ TYR A 16 0.386 -1.130 -11.349 1.00 2.24 C ATOM 248 OH TYR A 16 1.398 -0.221 -11.559 1.00 53.21 O ATOM 0 H TYR A 16 -3.175 -3.389 -13.490 1.00 64.30 H new ATOM 0 HA TYR A 16 -4.804 -4.382 -11.250 1.00 31.11 H new ATOM 0 HB2 TYR A 16 -3.083 -3.915 -9.651 1.00 33.13 H new ATOM 0 HB3 TYR A 16 -2.384 -4.972 -10.862 1.00 33.13 H new ATOM 0 HD1 TYR A 16 -2.399 -1.544 -9.510 1.00 60.12 H new ATOM 0 HD2 TYR A 16 -0.654 -4.152 -12.395 1.00 2.31 H new ATOM 0 HE1 TYR A 16 -0.596 0.080 -9.886 1.00 63.31 H new ATOM 0 HE2 TYR A 16 1.153 -2.531 -12.767 1.00 61.51 H new ATOM 0 HH TYR A 16 2.018 -0.571 -12.233 1.00 53.21 H new ATOM 258 N LYS A 17 -5.057 -1.938 -10.376 1.00 4.02 N ATOM 259 CA LYS A 17 -5.539 -0.579 -10.160 1.00 43.11 C ATOM 260 C LYS A 17 -4.534 0.232 -9.349 1.00 3.53 C ATOM 261 O LYS A 17 -4.178 -0.141 -8.232 1.00 0.11 O ATOM 262 CB LYS A 17 -6.890 -0.603 -9.441 1.00 65.04 C ATOM 263 CG LYS A 17 -8.080 -0.614 -10.384 1.00 51.44 C ATOM 264 CD LYS A 17 -9.367 -0.960 -9.654 1.00 62.33 C ATOM 265 CE LYS A 17 -9.838 -2.366 -9.993 1.00 32.33 C ATOM 266 NZ LYS A 17 -10.231 -3.128 -8.775 1.00 3.13 N ATOM 0 H LYS A 17 -5.233 -2.576 -9.600 1.00 4.02 H new ATOM 0 HA LYS A 17 -5.661 -0.104 -11.134 1.00 43.11 H new ATOM 0 HB2 LYS A 17 -6.936 -1.484 -8.801 1.00 65.04 H new ATOM 0 HB3 LYS A 17 -6.961 0.268 -8.790 1.00 65.04 H new ATOM 0 HG2 LYS A 17 -8.180 0.363 -10.856 1.00 51.44 H new ATOM 0 HG3 LYS A 17 -7.907 -1.337 -11.181 1.00 51.44 H new ATOM 0 HD2 LYS A 17 -9.210 -0.877 -8.579 1.00 62.33 H new ATOM 0 HD3 LYS A 17 -10.142 -0.241 -9.920 1.00 62.33 H new ATOM 0 HE2 LYS A 17 -10.686 -2.310 -10.676 1.00 32.33 H new ATOM 0 HE3 LYS A 17 -9.043 -2.899 -10.514 1.00 32.33 H new ATOM 0 HZ1 LYS A 17 -10.546 -4.081 -9.048 1.00 3.13 H new ATOM 0 HZ2 LYS A 17 -9.415 -3.203 -8.134 1.00 3.13 H new ATOM 0 HZ3 LYS A 17 -11.007 -2.633 -8.291 1.00 3.13 H new ATOM 280 N ASN A 18 -4.081 1.345 -9.918 1.00 20.11 N ATOM 281 CA ASN A 18 -3.118 2.210 -9.246 1.00 65.34 C ATOM 282 C ASN A 18 -3.800 3.055 -8.175 1.00 25.22 C ATOM 283 O ASN A 18 -5.005 2.941 -7.954 1.00 32.53 O ATOM 284 CB ASN A 18 -2.422 3.118 -10.262 1.00 4.10 C ATOM 285 CG ASN A 18 -3.407 3.869 -11.136 1.00 40.33 C ATOM 286 OD1 ASN A 18 -4.599 3.930 -10.836 1.00 13.52 O ATOM 287 ND2 ASN A 18 -2.912 4.445 -12.225 1.00 43.44 N ATOM 0 H ASN A 18 -4.365 1.669 -10.842 1.00 20.11 H new ATOM 0 HA ASN A 18 -2.373 1.577 -8.764 1.00 65.34 H new ATOM 0 HB2 ASN A 18 -1.791 3.833 -9.734 1.00 4.10 H new ATOM 0 HB3 ASN A 18 -1.766 2.518 -10.892 1.00 4.10 H new ATOM 0 HD21 ASN A 18 -3.527 4.964 -12.852 1.00 43.44 H new ATOM 0 HD22 ASN A 18 -1.917 4.369 -12.435 1.00 43.44 H new ATOM 294 N ASP A 19 -3.020 3.903 -7.513 1.00 61.12 N ATOM 295 CA ASP A 19 -3.548 4.769 -6.466 1.00 13.12 C ATOM 296 C ASP A 19 -4.596 5.724 -7.028 1.00 13.51 C ATOM 297 O ASP A 19 -5.455 6.219 -6.298 1.00 22.00 O ATOM 298 CB ASP A 19 -2.416 5.562 -5.811 1.00 12.11 C ATOM 299 CG ASP A 19 -2.558 5.636 -4.303 1.00 41.03 C ATOM 300 OD1 ASP A 19 -3.707 5.668 -3.817 1.00 34.03 O ATOM 301 OD2 ASP A 19 -1.519 5.663 -3.610 1.00 33.30 O ATOM 0 H ASP A 19 -2.020 4.009 -7.683 1.00 61.12 H new ATOM 0 HA ASP A 19 -4.023 4.140 -5.713 1.00 13.12 H new ATOM 0 HB2 ASP A 19 -1.461 5.100 -6.061 1.00 12.11 H new ATOM 0 HB3 ASP A 19 -2.399 6.572 -6.221 1.00 12.11 H new ATOM 306 N ALA A 20 -4.519 5.980 -8.330 1.00 4.32 N ATOM 307 CA ALA A 20 -5.461 6.876 -8.990 1.00 23.41 C ATOM 308 C ALA A 20 -6.831 6.222 -9.133 1.00 61.11 C ATOM 309 O ALA A 20 -7.823 6.893 -9.414 1.00 72.42 O ATOM 310 CB ALA A 20 -4.927 7.291 -10.353 1.00 11.43 C ATOM 0 H ALA A 20 -3.814 5.579 -8.949 1.00 4.32 H new ATOM 0 HA ALA A 20 -5.575 7.765 -8.370 1.00 23.41 H new ATOM 0 HB1 ALA A 20 -5.640 7.960 -10.835 1.00 11.43 H new ATOM 0 HB2 ALA A 20 -3.974 7.805 -10.229 1.00 11.43 H new ATOM 0 HB3 ALA A 20 -4.784 6.406 -10.973 1.00 11.43 H new ATOM 316 N GLY A 21 -6.878 4.907 -8.938 1.00 41.44 N ATOM 317 CA GLY A 21 -8.132 4.185 -9.051 1.00 44.12 C ATOM 318 C GLY A 21 -8.377 3.665 -10.454 1.00 1.03 C ATOM 319 O GLY A 21 -9.212 2.784 -10.661 1.00 13.55 O ATOM 0 H GLY A 21 -6.070 4.330 -8.704 1.00 41.44 H new ATOM 0 HA2 GLY A 21 -8.131 3.349 -8.352 1.00 44.12 H new ATOM 0 HA3 GLY A 21 -8.953 4.841 -8.761 1.00 44.12 H new ATOM 323 N LYS A 22 -7.649 4.211 -11.421 1.00 44.44 N ATOM 324 CA LYS A 22 -7.791 3.798 -12.813 1.00 4.55 C ATOM 325 C LYS A 22 -7.154 2.431 -13.042 1.00 14.22 C ATOM 326 O LYS A 22 -6.296 1.998 -12.272 1.00 52.54 O ATOM 327 CB LYS A 22 -7.150 4.833 -13.741 1.00 32.11 C ATOM 328 CG LYS A 22 -8.105 5.928 -14.182 1.00 15.42 C ATOM 329 CD LYS A 22 -7.731 6.478 -15.548 1.00 1.42 C ATOM 330 CE LYS A 22 -6.492 7.357 -15.474 1.00 42.41 C ATOM 331 NZ LYS A 22 -6.837 8.783 -15.218 1.00 55.12 N ATOM 0 H LYS A 22 -6.954 4.941 -11.267 1.00 44.44 H new ATOM 0 HA LYS A 22 -8.855 3.726 -13.038 1.00 4.55 H new ATOM 0 HB2 LYS A 22 -6.300 5.287 -13.233 1.00 32.11 H new ATOM 0 HB3 LYS A 22 -6.760 4.325 -14.623 1.00 32.11 H new ATOM 0 HG2 LYS A 22 -9.121 5.535 -14.213 1.00 15.42 H new ATOM 0 HG3 LYS A 22 -8.098 6.735 -13.449 1.00 15.42 H new ATOM 0 HD2 LYS A 22 -7.552 5.653 -16.237 1.00 1.42 H new ATOM 0 HD3 LYS A 22 -8.564 7.055 -15.950 1.00 1.42 H new ATOM 0 HE2 LYS A 22 -5.836 6.994 -14.682 1.00 42.41 H new ATOM 0 HE3 LYS A 22 -5.936 7.280 -16.408 1.00 42.41 H new ATOM 0 HZ1 LYS A 22 -5.965 9.349 -15.175 1.00 55.12 H new ATOM 0 HZ2 LYS A 22 -7.442 9.137 -15.986 1.00 55.12 H new ATOM 0 HZ3 LYS A 22 -7.345 8.860 -14.314 1.00 55.12 H new ATOM 345 N ASP A 23 -7.579 1.757 -14.104 1.00 74.25 N ATOM 346 CA ASP A 23 -7.049 0.440 -14.436 1.00 71.54 C ATOM 347 C ASP A 23 -5.747 0.560 -15.221 1.00 43.14 C ATOM 348 O ASP A 23 -5.673 1.282 -16.217 1.00 21.43 O ATOM 349 CB ASP A 23 -8.074 -0.358 -15.245 1.00 12.45 C ATOM 350 CG ASP A 23 -9.352 -0.612 -14.469 1.00 25.33 C ATOM 351 OD1 ASP A 23 -10.258 0.245 -14.519 1.00 51.44 O ATOM 352 OD2 ASP A 23 -9.445 -1.670 -13.811 1.00 51.25 O ATOM 0 H ASP A 23 -8.289 2.101 -14.750 1.00 74.25 H new ATOM 0 HA ASP A 23 -6.844 -0.086 -13.504 1.00 71.54 H new ATOM 0 HB2 ASP A 23 -8.310 0.183 -16.161 1.00 12.45 H new ATOM 0 HB3 ASP A 23 -7.636 -1.311 -15.541 1.00 12.45 H new ATOM 357 N THR A 24 -4.719 -0.151 -14.767 1.00 14.24 N ATOM 358 CA THR A 24 -3.419 -0.122 -15.424 1.00 51.02 C ATOM 359 C THR A 24 -2.978 -1.523 -15.831 1.00 64.10 C ATOM 360 O THR A 24 -2.912 -2.430 -15.001 1.00 11.23 O ATOM 361 CB THR A 24 -2.343 0.499 -14.514 1.00 42.20 C ATOM 362 OG1 THR A 24 -2.788 1.769 -14.025 1.00 41.44 O ATOM 363 CG2 THR A 24 -1.031 0.671 -15.266 1.00 35.52 C ATOM 0 H THR A 24 -4.763 -0.754 -13.946 1.00 14.24 H new ATOM 0 HA THR A 24 -3.529 0.495 -16.316 1.00 51.02 H new ATOM 0 HB THR A 24 -2.176 -0.175 -13.674 1.00 42.20 H new ATOM 0 HG1 THR A 24 -2.099 2.156 -13.446 1.00 41.44 H new ATOM 0 HG21 THR A 24 -0.286 1.111 -14.603 1.00 35.52 H new ATOM 0 HG22 THR A 24 -0.680 -0.301 -15.612 1.00 35.52 H new ATOM 0 HG23 THR A 24 -1.186 1.326 -16.123 1.00 35.52 H new ATOM 371 N PHE A 25 -2.675 -1.694 -17.114 1.00 4.04 N ATOM 372 CA PHE A 25 -2.239 -2.986 -17.631 1.00 30.03 C ATOM 373 C PHE A 25 -0.774 -2.936 -18.056 1.00 33.05 C ATOM 374 O PHE A 25 -0.375 -2.080 -18.845 1.00 51.33 O ATOM 375 CB PHE A 25 -3.111 -3.405 -18.816 1.00 34.32 C ATOM 376 CG PHE A 25 -3.353 -2.299 -19.803 1.00 72.40 C ATOM 377 CD1 PHE A 25 -2.470 -2.081 -20.848 1.00 54.33 C ATOM 378 CD2 PHE A 25 -4.463 -1.478 -19.685 1.00 70.34 C ATOM 379 CE1 PHE A 25 -2.690 -1.064 -21.759 1.00 31.22 C ATOM 380 CE2 PHE A 25 -4.688 -0.461 -20.593 1.00 11.40 C ATOM 381 CZ PHE A 25 -3.800 -0.252 -21.630 1.00 70.42 C ATOM 0 H PHE A 25 -2.723 -0.954 -17.814 1.00 4.04 H new ATOM 0 HA PHE A 25 -2.343 -3.722 -16.834 1.00 30.03 H new ATOM 0 HB2 PHE A 25 -2.636 -4.241 -19.329 1.00 34.32 H new ATOM 0 HB3 PHE A 25 -4.070 -3.764 -18.442 1.00 34.32 H new ATOM 0 HD1 PHE A 25 -1.600 -2.712 -20.952 1.00 54.33 H new ATOM 0 HD2 PHE A 25 -5.160 -1.635 -18.875 1.00 70.34 H new ATOM 0 HE1 PHE A 25 -1.995 -0.905 -22.570 1.00 31.22 H new ATOM 0 HE2 PHE A 25 -5.558 0.170 -20.492 1.00 11.40 H new ATOM 0 HZ PHE A 25 -3.973 0.545 -22.338 1.00 70.42 H new ATOM 391 N ILE A 26 0.021 -3.859 -17.525 1.00 70.04 N ATOM 392 CA ILE A 26 1.441 -3.921 -17.849 1.00 53.15 C ATOM 393 C ILE A 26 1.854 -5.335 -18.242 1.00 71.30 C ATOM 394 O ILE A 26 1.408 -6.314 -17.642 1.00 53.44 O ATOM 395 CB ILE A 26 2.309 -3.454 -16.666 1.00 61.22 C ATOM 396 CG1 ILE A 26 3.742 -3.185 -17.132 1.00 14.13 C ATOM 397 CG2 ILE A 26 2.294 -4.494 -15.556 1.00 11.14 C ATOM 398 CD1 ILE A 26 4.300 -1.869 -16.637 1.00 42.14 C ATOM 0 H ILE A 26 -0.294 -4.574 -16.869 1.00 70.04 H new ATOM 0 HA ILE A 26 1.602 -3.251 -18.693 1.00 53.15 H new ATOM 0 HB ILE A 26 1.894 -2.526 -16.273 1.00 61.22 H new ATOM 0 HG12 ILE A 26 4.385 -3.995 -16.789 1.00 14.13 H new ATOM 0 HG13 ILE A 26 3.769 -3.195 -18.222 1.00 14.13 H new ATOM 0 HG21 ILE A 26 2.912 -4.150 -14.727 1.00 11.14 H new ATOM 0 HG22 ILE A 26 1.271 -4.642 -15.210 1.00 11.14 H new ATOM 0 HG23 ILE A 26 2.688 -5.437 -15.935 1.00 11.14 H new ATOM 0 HD11 ILE A 26 5.318 -1.744 -17.005 1.00 42.14 H new ATOM 0 HD12 ILE A 26 3.679 -1.050 -17.002 1.00 42.14 H new ATOM 0 HD13 ILE A 26 4.305 -1.863 -15.547 1.00 42.14 H new ATOM 410 N LYS A 27 2.711 -5.436 -19.252 1.00 60.43 N ATOM 411 CA LYS A 27 3.189 -6.731 -19.725 1.00 15.45 C ATOM 412 C LYS A 27 4.026 -7.425 -18.655 1.00 54.10 C ATOM 413 O LYS A 27 4.670 -6.771 -17.835 1.00 10.34 O ATOM 414 CB LYS A 27 4.015 -6.558 -21.001 1.00 55.42 C ATOM 415 CG LYS A 27 4.806 -5.262 -21.043 1.00 14.31 C ATOM 416 CD LYS A 27 5.664 -5.092 -19.800 1.00 55.24 C ATOM 417 CE LYS A 27 6.703 -3.997 -19.986 1.00 61.22 C ATOM 418 NZ LYS A 27 7.961 -4.296 -19.248 1.00 23.02 N ATOM 0 H LYS A 27 3.089 -4.636 -19.760 1.00 60.43 H new ATOM 0 HA LYS A 27 2.321 -7.353 -19.943 1.00 15.45 H new ATOM 0 HB2 LYS A 27 4.704 -7.397 -21.094 1.00 55.42 H new ATOM 0 HB3 LYS A 27 3.349 -6.595 -21.863 1.00 55.42 H new ATOM 0 HG2 LYS A 27 5.441 -5.251 -21.929 1.00 14.31 H new ATOM 0 HG3 LYS A 27 4.121 -4.419 -21.131 1.00 14.31 H new ATOM 0 HD2 LYS A 27 5.028 -4.851 -18.948 1.00 55.24 H new ATOM 0 HD3 LYS A 27 6.163 -6.033 -19.569 1.00 55.24 H new ATOM 0 HE2 LYS A 27 6.923 -3.882 -21.047 1.00 61.22 H new ATOM 0 HE3 LYS A 27 6.296 -3.047 -19.640 1.00 61.22 H new ATOM 0 HZ1 LYS A 27 8.644 -3.526 -19.400 1.00 23.02 H new ATOM 0 HZ2 LYS A 27 7.756 -4.381 -18.232 1.00 23.02 H new ATOM 0 HZ3 LYS A 27 8.364 -5.190 -19.596 1.00 23.02 H new ATOM 432 N CYS A 28 4.013 -8.754 -18.670 1.00 50.44 N ATOM 433 CA CYS A 28 4.771 -9.537 -17.703 1.00 25.31 C ATOM 434 C CYS A 28 6.070 -10.051 -18.318 1.00 3.24 C ATOM 435 O CYS A 28 6.216 -10.142 -19.537 1.00 10.22 O ATOM 436 CB CYS A 28 3.933 -10.714 -17.199 1.00 1.55 C ATOM 437 SG CYS A 28 2.924 -10.332 -15.731 1.00 11.13 S ATOM 0 H CYS A 28 3.485 -9.311 -19.342 1.00 50.44 H new ATOM 0 HA CYS A 28 5.018 -8.889 -16.862 1.00 25.31 H new ATOM 0 HB2 CYS A 28 3.276 -11.049 -18.002 1.00 1.55 H new ATOM 0 HB3 CYS A 28 4.598 -11.545 -16.964 1.00 1.55 H new ATOM 442 N PRO A 29 7.038 -10.395 -17.455 1.00 34.24 N ATOM 443 CA PRO A 29 8.341 -10.906 -17.889 1.00 61.20 C ATOM 444 C PRO A 29 8.245 -12.304 -18.490 1.00 75.13 C ATOM 445 O PRO A 29 7.509 -13.157 -17.992 1.00 4.45 O ATOM 446 CB PRO A 29 9.160 -10.936 -16.596 1.00 15.42 C ATOM 447 CG PRO A 29 8.147 -11.060 -15.510 1.00 4.43 C ATOM 448 CD PRO A 29 6.933 -10.313 -15.988 1.00 41.30 C ATOM 0 HA PRO A 29 8.779 -10.289 -18.673 1.00 61.20 H new ATOM 0 HB2 PRO A 29 9.855 -11.775 -16.587 1.00 15.42 H new ATOM 0 HB3 PRO A 29 9.754 -10.029 -16.482 1.00 15.42 H new ATOM 0 HG2 PRO A 29 7.910 -12.106 -15.315 1.00 4.43 H new ATOM 0 HG3 PRO A 29 8.522 -10.639 -14.577 1.00 4.43 H new ATOM 0 HD2 PRO A 29 6.012 -10.769 -15.625 1.00 41.30 H new ATOM 0 HD3 PRO A 29 6.935 -9.279 -15.642 1.00 41.30 H new ATOM 456 N LYS A 30 8.992 -12.534 -19.565 1.00 13.12 N ATOM 457 CA LYS A 30 8.992 -13.829 -20.234 1.00 64.31 C ATOM 458 C LYS A 30 10.046 -14.753 -19.631 1.00 12.13 C ATOM 459 O LYS A 30 10.357 -15.804 -20.190 1.00 65.41 O ATOM 460 CB LYS A 30 9.252 -13.652 -21.732 1.00 35.41 C ATOM 461 CG LYS A 30 7.986 -13.461 -22.550 1.00 0.54 C ATOM 462 CD LYS A 30 8.172 -13.928 -23.983 1.00 62.43 C ATOM 463 CE LYS A 30 6.844 -14.293 -24.628 1.00 15.14 C ATOM 464 NZ LYS A 30 6.740 -15.754 -24.897 1.00 42.24 N ATOM 0 H LYS A 30 9.605 -11.839 -19.991 1.00 13.12 H new ATOM 0 HA LYS A 30 8.011 -14.283 -20.092 1.00 64.31 H new ATOM 0 HB2 LYS A 30 9.904 -12.791 -21.880 1.00 35.41 H new ATOM 0 HB3 LYS A 30 9.788 -14.525 -22.105 1.00 35.41 H new ATOM 0 HG2 LYS A 30 7.167 -14.014 -22.090 1.00 0.54 H new ATOM 0 HG3 LYS A 30 7.703 -12.408 -22.543 1.00 0.54 H new ATOM 0 HD2 LYS A 30 8.655 -13.142 -24.563 1.00 62.43 H new ATOM 0 HD3 LYS A 30 8.836 -14.792 -24.002 1.00 62.43 H new ATOM 0 HE2 LYS A 30 6.027 -13.985 -23.976 1.00 15.14 H new ATOM 0 HE3 LYS A 30 6.731 -13.743 -25.562 1.00 15.14 H new ATOM 0 HZ1 LYS A 30 5.821 -15.961 -25.337 1.00 42.24 H new ATOM 0 HZ2 LYS A 30 7.504 -16.044 -25.540 1.00 42.24 H new ATOM 0 HZ3 LYS A 30 6.822 -16.278 -24.003 1.00 42.24 H new ATOM 478 N PHE A 31 10.590 -14.354 -18.486 1.00 31.02 N ATOM 479 CA PHE A 31 11.608 -15.147 -17.806 1.00 41.43 C ATOM 480 C PHE A 31 10.986 -16.362 -17.124 1.00 41.51 C ATOM 481 O PHE A 31 9.823 -16.333 -16.722 1.00 31.13 O ATOM 482 CB PHE A 31 12.347 -14.291 -16.775 1.00 54.10 C ATOM 483 CG PHE A 31 13.479 -13.495 -17.357 1.00 43.33 C ATOM 484 CD1 PHE A 31 14.754 -14.033 -17.436 1.00 35.02 C ATOM 485 CD2 PHE A 31 13.270 -12.208 -17.826 1.00 12.43 C ATOM 486 CE1 PHE A 31 15.798 -13.303 -17.971 1.00 60.24 C ATOM 487 CE2 PHE A 31 14.310 -11.473 -18.363 1.00 22.33 C ATOM 488 CZ PHE A 31 15.576 -12.021 -18.435 1.00 21.25 C ATOM 0 H PHE A 31 10.343 -13.487 -18.010 1.00 31.02 H new ATOM 0 HA PHE A 31 12.319 -15.497 -18.554 1.00 41.43 H new ATOM 0 HB2 PHE A 31 11.638 -13.609 -16.306 1.00 54.10 H new ATOM 0 HB3 PHE A 31 12.735 -14.938 -15.989 1.00 54.10 H new ATOM 0 HD1 PHE A 31 14.934 -15.035 -17.075 1.00 35.02 H new ATOM 0 HD2 PHE A 31 12.283 -11.774 -17.771 1.00 12.43 H new ATOM 0 HE1 PHE A 31 16.787 -13.734 -18.026 1.00 60.24 H new ATOM 0 HE2 PHE A 31 14.133 -10.471 -18.726 1.00 22.33 H new ATOM 0 HZ PHE A 31 16.391 -11.448 -18.853 1.00 21.25 H new ATOM 498 N ASP A 32 11.769 -17.427 -16.998 1.00 62.25 N ATOM 499 CA ASP A 32 11.297 -18.653 -16.365 1.00 13.21 C ATOM 500 C ASP A 32 11.092 -18.446 -14.867 1.00 62.33 C ATOM 501 O ASP A 32 10.417 -19.236 -14.209 1.00 23.24 O ATOM 502 CB ASP A 32 12.289 -19.791 -16.605 1.00 24.45 C ATOM 503 CG ASP A 32 12.121 -20.428 -17.970 1.00 23.30 C ATOM 504 OD1 ASP A 32 12.198 -19.697 -18.980 1.00 12.13 O ATOM 505 OD2 ASP A 32 11.914 -21.658 -18.029 1.00 62.21 O ATOM 0 H ASP A 32 12.734 -17.466 -17.326 1.00 62.25 H new ATOM 0 HA ASP A 32 10.339 -18.918 -16.811 1.00 13.21 H new ATOM 0 HB2 ASP A 32 13.305 -19.409 -16.508 1.00 24.45 H new ATOM 0 HB3 ASP A 32 12.159 -20.551 -15.834 1.00 24.45 H new ATOM 510 N ASN A 33 11.681 -17.380 -14.336 1.00 51.44 N ATOM 511 CA ASN A 33 11.565 -17.070 -12.916 1.00 34.21 C ATOM 512 C ASN A 33 10.134 -16.675 -12.561 1.00 25.25 C ATOM 513 O ASN A 33 9.646 -16.981 -11.472 1.00 50.25 O ATOM 514 CB ASN A 33 12.526 -15.942 -12.538 1.00 42.41 C ATOM 515 CG ASN A 33 13.974 -16.392 -12.538 1.00 3.31 C ATOM 516 OD1 ASN A 33 14.423 -17.076 -11.618 1.00 61.44 O ATOM 517 ND2 ASN A 33 14.713 -16.008 -13.572 1.00 42.43 N ATOM 0 H ASN A 33 12.244 -16.716 -14.868 1.00 51.44 H new ATOM 0 HA ASN A 33 11.827 -17.965 -12.352 1.00 34.21 H new ATOM 0 HB2 ASN A 33 12.405 -15.116 -13.238 1.00 42.41 H new ATOM 0 HB3 ASN A 33 12.266 -15.563 -11.550 1.00 42.41 H new ATOM 0 HD21 ASN A 33 15.695 -16.280 -13.626 1.00 42.43 H new ATOM 0 HD22 ASN A 33 14.299 -15.441 -14.312 1.00 42.43 H new ATOM 524 N LYS A 34 9.467 -15.994 -13.486 1.00 63.20 N ATOM 525 CA LYS A 34 8.092 -15.558 -13.273 1.00 64.12 C ATOM 526 C LYS A 34 7.404 -15.260 -14.601 1.00 62.25 C ATOM 527 O LYS A 34 7.918 -14.500 -15.422 1.00 40.41 O ATOM 528 CB LYS A 34 8.062 -14.315 -12.381 1.00 21.10 C ATOM 529 CG LYS A 34 8.579 -13.062 -13.066 1.00 55.22 C ATOM 530 CD LYS A 34 9.441 -12.230 -12.132 1.00 23.53 C ATOM 531 CE LYS A 34 10.865 -12.762 -12.067 1.00 50.11 C ATOM 532 NZ LYS A 34 11.808 -11.755 -11.506 1.00 31.10 N ATOM 0 H LYS A 34 9.857 -15.732 -14.391 1.00 63.20 H new ATOM 0 HA LYS A 34 7.553 -16.366 -12.778 1.00 64.12 H new ATOM 0 HB2 LYS A 34 7.039 -14.141 -12.049 1.00 21.10 H new ATOM 0 HB3 LYS A 34 8.659 -14.504 -11.489 1.00 21.10 H new ATOM 0 HG2 LYS A 34 9.159 -13.340 -13.946 1.00 55.22 H new ATOM 0 HG3 LYS A 34 7.737 -12.464 -13.415 1.00 55.22 H new ATOM 0 HD2 LYS A 34 9.453 -11.194 -12.472 1.00 23.53 H new ATOM 0 HD3 LYS A 34 9.004 -12.232 -11.133 1.00 23.53 H new ATOM 0 HE2 LYS A 34 10.889 -13.663 -11.454 1.00 50.11 H new ATOM 0 HE3 LYS A 34 11.192 -13.048 -13.067 1.00 50.11 H new ATOM 0 HZ1 LYS A 34 12.767 -12.155 -11.478 1.00 31.10 H new ATOM 0 HZ2 LYS A 34 11.805 -10.905 -12.105 1.00 31.10 H new ATOM 0 HZ3 LYS A 34 11.511 -11.500 -10.542 1.00 31.10 H new ATOM 546 N LYS A 35 6.238 -15.863 -14.807 1.00 21.12 N ATOM 547 CA LYS A 35 5.477 -15.661 -16.034 1.00 2.20 C ATOM 548 C LYS A 35 4.026 -16.096 -15.853 1.00 4.54 C ATOM 549 O LYS A 35 3.644 -16.589 -14.791 1.00 54.03 O ATOM 550 CB LYS A 35 6.114 -16.440 -17.187 1.00 53.23 C ATOM 551 CG LYS A 35 6.084 -17.946 -16.994 1.00 13.03 C ATOM 552 CD LYS A 35 6.163 -18.681 -18.321 1.00 44.44 C ATOM 553 CE LYS A 35 7.339 -19.645 -18.355 1.00 43.22 C ATOM 554 NZ LYS A 35 6.986 -20.927 -19.024 1.00 72.42 N ATOM 0 H LYS A 35 5.799 -16.496 -14.139 1.00 21.12 H new ATOM 0 HA LYS A 35 5.492 -14.597 -16.270 1.00 2.20 H new ATOM 0 HB2 LYS A 35 5.596 -16.191 -18.113 1.00 53.23 H new ATOM 0 HB3 LYS A 35 7.149 -16.118 -17.304 1.00 53.23 H new ATOM 0 HG2 LYS A 35 6.917 -18.249 -16.359 1.00 13.03 H new ATOM 0 HG3 LYS A 35 5.168 -18.229 -16.475 1.00 13.03 H new ATOM 0 HD2 LYS A 35 5.236 -19.230 -18.490 1.00 44.44 H new ATOM 0 HD3 LYS A 35 6.259 -17.960 -19.133 1.00 44.44 H new ATOM 0 HE2 LYS A 35 8.174 -19.180 -18.879 1.00 43.22 H new ATOM 0 HE3 LYS A 35 7.673 -19.846 -17.337 1.00 43.22 H new ATOM 0 HZ1 LYS A 35 7.814 -21.557 -19.027 1.00 72.42 H new ATOM 0 HZ2 LYS A 35 6.206 -21.383 -18.510 1.00 72.42 H new ATOM 0 HZ3 LYS A 35 6.692 -20.738 -20.003 1.00 72.42 H new ATOM 568 N CYS A 36 3.223 -15.911 -16.895 1.00 4.40 N ATOM 569 CA CYS A 36 1.815 -16.284 -16.852 1.00 31.34 C ATOM 570 C CYS A 36 1.592 -17.642 -17.511 1.00 71.23 C ATOM 571 O CYS A 36 1.822 -17.809 -18.710 1.00 3.15 O ATOM 572 CB CYS A 36 0.962 -15.221 -17.547 1.00 31.25 C ATOM 573 SG CYS A 36 1.044 -13.576 -16.768 1.00 63.31 S ATOM 0 H CYS A 36 3.524 -15.504 -17.781 1.00 4.40 H new ATOM 0 HA CYS A 36 1.515 -16.353 -15.806 1.00 31.34 H new ATOM 0 HB2 CYS A 36 1.282 -15.136 -18.586 1.00 31.25 H new ATOM 0 HB3 CYS A 36 -0.076 -15.554 -17.559 1.00 31.25 H new ATOM 578 N THR A 37 1.141 -18.611 -16.721 1.00 23.35 N ATOM 579 CA THR A 37 0.888 -19.954 -17.226 1.00 73.51 C ATOM 580 C THR A 37 -0.598 -20.170 -17.493 1.00 64.11 C ATOM 581 O THR A 37 -0.975 -20.917 -18.397 1.00 2.34 O ATOM 582 CB THR A 37 1.382 -21.029 -16.239 1.00 54.10 C ATOM 583 OG1 THR A 37 1.059 -20.647 -14.897 1.00 53.13 O ATOM 584 CG2 THR A 37 2.884 -21.231 -16.367 1.00 31.34 C ATOM 0 H THR A 37 0.943 -18.490 -15.728 1.00 23.35 H new ATOM 0 HA THR A 37 1.441 -20.049 -18.161 1.00 73.51 H new ATOM 0 HB THR A 37 0.883 -21.968 -16.479 1.00 54.10 H new ATOM 0 HG1 THR A 37 1.375 -21.336 -14.276 1.00 53.13 H new ATOM 0 HG21 THR A 37 3.210 -21.994 -15.661 1.00 31.34 H new ATOM 0 HG22 THR A 37 3.123 -21.550 -17.382 1.00 31.34 H new ATOM 0 HG23 THR A 37 3.397 -20.294 -16.151 1.00 31.34 H new ATOM 592 N LYS A 38 -1.438 -19.512 -16.702 1.00 42.51 N ATOM 593 CA LYS A 38 -2.883 -19.629 -16.854 1.00 32.04 C ATOM 594 C LYS A 38 -3.524 -18.257 -17.038 1.00 72.31 C ATOM 595 O LYS A 38 -2.913 -17.231 -16.740 1.00 40.13 O ATOM 596 CB LYS A 38 -3.489 -20.327 -15.634 1.00 74.22 C ATOM 597 CG LYS A 38 -4.558 -21.348 -15.986 1.00 41.24 C ATOM 598 CD LYS A 38 -4.904 -22.226 -14.796 1.00 22.31 C ATOM 599 CE LYS A 38 -6.149 -23.059 -15.061 1.00 1.23 C ATOM 600 NZ LYS A 38 -7.351 -22.485 -14.395 1.00 74.24 N ATOM 0 H LYS A 38 -1.143 -18.891 -15.948 1.00 42.51 H new ATOM 0 HA LYS A 38 -3.083 -20.226 -17.744 1.00 32.04 H new ATOM 0 HB2 LYS A 38 -2.694 -20.823 -15.077 1.00 74.22 H new ATOM 0 HB3 LYS A 38 -3.920 -19.575 -14.973 1.00 74.22 H new ATOM 0 HG2 LYS A 38 -5.454 -20.833 -16.332 1.00 41.24 H new ATOM 0 HG3 LYS A 38 -4.210 -21.971 -16.810 1.00 41.24 H new ATOM 0 HD2 LYS A 38 -4.065 -22.885 -14.572 1.00 22.31 H new ATOM 0 HD3 LYS A 38 -5.063 -21.602 -13.916 1.00 22.31 H new ATOM 0 HE2 LYS A 38 -6.323 -23.120 -16.135 1.00 1.23 H new ATOM 0 HE3 LYS A 38 -5.988 -24.077 -14.706 1.00 1.23 H new ATOM 0 HZ1 LYS A 38 -8.179 -23.081 -14.599 1.00 74.24 H new ATOM 0 HZ2 LYS A 38 -7.195 -22.450 -13.367 1.00 74.24 H new ATOM 0 HZ3 LYS A 38 -7.520 -21.523 -14.753 1.00 74.24 H new ATOM 614 N ASP A 39 -4.759 -18.247 -17.529 1.00 65.41 N ATOM 615 CA ASP A 39 -5.483 -17.001 -17.751 1.00 33.54 C ATOM 616 C ASP A 39 -6.161 -16.531 -16.467 1.00 64.31 C ATOM 617 O ASP A 39 -6.509 -17.338 -15.606 1.00 25.10 O ATOM 618 CB ASP A 39 -6.526 -17.182 -18.855 1.00 63.42 C ATOM 619 CG ASP A 39 -7.468 -18.337 -18.578 1.00 55.11 C ATOM 620 OD1 ASP A 39 -8.356 -18.184 -17.712 1.00 63.23 O ATOM 621 OD2 ASP A 39 -7.320 -19.393 -19.228 1.00 3.33 O ATOM 0 H ASP A 39 -5.279 -19.088 -17.781 1.00 65.41 H new ATOM 0 HA ASP A 39 -4.765 -16.242 -18.061 1.00 33.54 H new ATOM 0 HB2 ASP A 39 -7.103 -16.263 -18.960 1.00 63.42 H new ATOM 0 HB3 ASP A 39 -6.019 -17.350 -19.805 1.00 63.42 H new ATOM 626 N ASN A 40 -6.343 -15.220 -16.346 1.00 73.44 N ATOM 627 CA ASN A 40 -6.977 -14.642 -15.167 1.00 74.40 C ATOM 628 C ASN A 40 -6.123 -14.869 -13.924 1.00 23.13 C ATOM 629 O ASN A 40 -6.605 -14.756 -12.798 1.00 1.23 O ATOM 630 CB ASN A 40 -8.367 -15.248 -14.961 1.00 54.14 C ATOM 631 CG ASN A 40 -9.343 -14.261 -14.351 1.00 14.23 C ATOM 632 OD1 ASN A 40 -10.187 -13.695 -15.046 1.00 13.43 O ATOM 633 ND2 ASN A 40 -9.232 -14.050 -13.044 1.00 41.04 N ATOM 0 H ASN A 40 -6.060 -14.538 -17.050 1.00 73.44 H new ATOM 0 HA ASN A 40 -7.076 -13.568 -15.328 1.00 74.40 H new ATOM 0 HB2 ASN A 40 -8.755 -15.594 -15.919 1.00 54.14 H new ATOM 0 HB3 ASN A 40 -8.287 -16.122 -14.315 1.00 54.14 H new ATOM 0 HD21 ASN A 40 -9.861 -13.397 -12.578 1.00 41.04 H new ATOM 0 HD22 ASN A 40 -8.517 -14.541 -12.507 1.00 41.04 H new ATOM 640 N ASN A 41 -4.851 -15.189 -14.137 1.00 64.42 N ATOM 641 CA ASN A 41 -3.928 -15.432 -13.034 1.00 10.10 C ATOM 642 C ASN A 41 -3.822 -14.205 -12.134 1.00 12.15 C ATOM 643 O ASN A 41 -4.565 -13.236 -12.295 1.00 63.12 O ATOM 644 CB ASN A 41 -2.545 -15.805 -13.571 1.00 62.11 C ATOM 645 CG ASN A 41 -2.252 -17.287 -13.435 1.00 52.21 C ATOM 646 OD1 ASN A 41 -2.907 -17.992 -12.667 1.00 63.22 O ATOM 647 ND2 ASN A 41 -1.264 -17.766 -14.182 1.00 53.43 N ATOM 0 H ASN A 41 -4.436 -15.286 -15.063 1.00 64.42 H new ATOM 0 HA ASN A 41 -4.317 -16.262 -12.444 1.00 10.10 H new ATOM 0 HB2 ASN A 41 -2.476 -15.519 -14.621 1.00 62.11 H new ATOM 0 HB3 ASN A 41 -1.785 -15.236 -13.035 1.00 62.11 H new ATOM 0 HD21 ASN A 41 -1.021 -18.755 -14.133 1.00 53.43 H new ATOM 0 HD22 ASN A 41 -0.748 -17.144 -14.805 1.00 53.43 H new ATOM 654 N LYS A 42 -2.894 -14.253 -11.184 1.00 44.34 N ATOM 655 CA LYS A 42 -2.688 -13.145 -10.258 1.00 64.54 C ATOM 656 C LYS A 42 -1.205 -12.808 -10.136 1.00 12.54 C ATOM 657 O LYS A 42 -0.356 -13.699 -10.092 1.00 14.51 O ATOM 658 CB LYS A 42 -3.258 -13.492 -8.881 1.00 73.34 C ATOM 659 CG LYS A 42 -4.025 -12.351 -8.236 1.00 31.12 C ATOM 660 CD LYS A 42 -5.458 -12.289 -8.737 1.00 14.25 C ATOM 661 CE LYS A 42 -6.269 -13.482 -8.256 1.00 32.54 C ATOM 662 NZ LYS A 42 -7.723 -13.313 -8.531 1.00 42.11 N ATOM 0 H LYS A 42 -2.272 -15.048 -11.035 1.00 44.34 H new ATOM 0 HA LYS A 42 -3.210 -12.273 -10.651 1.00 64.54 H new ATOM 0 HB2 LYS A 42 -3.918 -14.354 -8.977 1.00 73.34 H new ATOM 0 HB3 LYS A 42 -2.441 -13.788 -8.223 1.00 73.34 H new ATOM 0 HG2 LYS A 42 -4.022 -12.476 -7.153 1.00 31.12 H new ATOM 0 HG3 LYS A 42 -3.523 -11.407 -8.449 1.00 31.12 H new ATOM 0 HD2 LYS A 42 -5.926 -11.367 -8.392 1.00 14.25 H new ATOM 0 HD3 LYS A 42 -5.463 -12.260 -9.827 1.00 14.25 H new ATOM 0 HE2 LYS A 42 -5.910 -14.387 -8.746 1.00 32.54 H new ATOM 0 HE3 LYS A 42 -6.115 -13.617 -7.185 1.00 32.54 H new ATOM 0 HZ1 LYS A 42 -8.240 -14.147 -8.188 1.00 42.11 H new ATOM 0 HZ2 LYS A 42 -8.072 -12.464 -8.042 1.00 42.11 H new ATOM 0 HZ3 LYS A 42 -7.873 -13.209 -9.555 1.00 42.11 H new ATOM 676 N CYS A 43 -0.900 -11.515 -10.079 1.00 34.42 N ATOM 677 CA CYS A 43 0.479 -11.059 -9.960 1.00 22.22 C ATOM 678 C CYS A 43 0.620 -10.042 -8.831 1.00 23.11 C ATOM 679 O CYS A 43 -0.362 -9.669 -8.189 1.00 33.43 O ATOM 680 CB CYS A 43 0.950 -10.443 -11.278 1.00 50.54 C ATOM 681 SG CYS A 43 0.189 -8.832 -11.660 1.00 35.20 S ATOM 0 H CYS A 43 -1.590 -10.765 -10.113 1.00 34.42 H new ATOM 0 HA CYS A 43 1.102 -11.922 -9.727 1.00 22.22 H new ATOM 0 HB2 CYS A 43 2.033 -10.322 -11.244 1.00 50.54 H new ATOM 0 HB3 CYS A 43 0.732 -11.137 -12.090 1.00 50.54 H new ATOM 686 N THR A 44 1.850 -9.596 -8.594 1.00 40.10 N ATOM 687 CA THR A 44 2.121 -8.623 -7.543 1.00 71.21 C ATOM 688 C THR A 44 3.131 -7.580 -8.007 1.00 24.15 C ATOM 689 O THR A 44 4.066 -7.892 -8.745 1.00 0.42 O ATOM 690 CB THR A 44 2.653 -9.306 -6.269 1.00 72.10 C ATOM 691 OG1 THR A 44 3.392 -10.483 -6.616 1.00 15.22 O ATOM 692 CG2 THR A 44 1.510 -9.676 -5.336 1.00 12.54 C ATOM 0 H THR A 44 2.674 -9.893 -9.116 1.00 40.10 H new ATOM 0 HA THR A 44 1.175 -8.132 -7.315 1.00 71.21 H new ATOM 0 HB THR A 44 3.309 -8.604 -5.754 1.00 72.10 H new ATOM 0 HG1 THR A 44 3.728 -10.910 -5.801 1.00 15.22 H new ATOM 0 HG21 THR A 44 1.910 -10.157 -4.443 1.00 12.54 H new ATOM 0 HG22 THR A 44 0.967 -8.775 -5.050 1.00 12.54 H new ATOM 0 HG23 THR A 44 0.832 -10.362 -5.845 1.00 12.54 H new ATOM 700 N VAL A 45 2.938 -6.340 -7.568 1.00 65.20 N ATOM 701 CA VAL A 45 3.835 -5.251 -7.937 1.00 14.23 C ATOM 702 C VAL A 45 3.983 -4.251 -6.795 1.00 52.04 C ATOM 703 O VAL A 45 2.994 -3.718 -6.291 1.00 22.44 O ATOM 704 CB VAL A 45 3.332 -4.511 -9.191 1.00 4.12 C ATOM 705 CG1 VAL A 45 4.273 -3.371 -9.551 1.00 63.32 C ATOM 706 CG2 VAL A 45 3.183 -5.478 -10.355 1.00 73.23 C ATOM 0 H VAL A 45 2.169 -6.065 -6.957 1.00 65.20 H new ATOM 0 HA VAL A 45 4.805 -5.698 -8.153 1.00 14.23 H new ATOM 0 HB VAL A 45 2.352 -4.086 -8.973 1.00 4.12 H new ATOM 0 HG11 VAL A 45 3.902 -2.860 -10.439 1.00 63.32 H new ATOM 0 HG12 VAL A 45 4.325 -2.666 -8.721 1.00 63.32 H new ATOM 0 HG13 VAL A 45 5.268 -3.770 -9.751 1.00 63.32 H new ATOM 0 HG21 VAL A 45 2.827 -4.939 -11.233 1.00 73.23 H new ATOM 0 HG22 VAL A 45 4.149 -5.933 -10.576 1.00 73.23 H new ATOM 0 HG23 VAL A 45 2.467 -6.256 -10.092 1.00 73.23 H new ATOM 716 N ASP A 46 5.224 -4.000 -6.393 1.00 71.25 N ATOM 717 CA ASP A 46 5.503 -3.062 -5.312 1.00 74.40 C ATOM 718 C ASP A 46 6.378 -1.913 -5.802 1.00 14.33 C ATOM 719 O ASP A 46 7.389 -2.129 -6.471 1.00 53.50 O ATOM 720 CB ASP A 46 6.188 -3.781 -4.149 1.00 35.33 C ATOM 721 CG ASP A 46 6.053 -3.025 -2.841 1.00 63.44 C ATOM 722 OD1 ASP A 46 4.908 -2.724 -2.446 1.00 21.24 O ATOM 723 OD2 ASP A 46 7.094 -2.734 -2.214 1.00 73.35 O ATOM 0 H ASP A 46 6.053 -4.433 -6.800 1.00 71.25 H new ATOM 0 HA ASP A 46 4.554 -2.651 -4.967 1.00 74.40 H new ATOM 0 HB2 ASP A 46 5.757 -4.776 -4.036 1.00 35.33 H new ATOM 0 HB3 ASP A 46 7.245 -3.915 -4.380 1.00 35.33 H new ATOM 728 N THR A 47 5.982 -0.689 -5.465 1.00 32.14 N ATOM 729 CA THR A 47 6.728 0.495 -5.872 1.00 30.25 C ATOM 730 C THR A 47 7.869 0.785 -4.904 1.00 25.23 C ATOM 731 O THR A 47 8.856 1.426 -5.267 1.00 22.35 O ATOM 732 CB THR A 47 5.815 1.733 -5.956 1.00 61.44 C ATOM 733 OG1 THR A 47 4.466 1.369 -5.643 1.00 21.22 O ATOM 734 CG2 THR A 47 5.869 2.351 -7.345 1.00 62.33 C ATOM 0 H THR A 47 5.148 -0.492 -4.911 1.00 32.14 H new ATOM 0 HA THR A 47 7.137 0.286 -6.861 1.00 30.25 H new ATOM 0 HB THR A 47 6.169 2.468 -5.234 1.00 61.44 H new ATOM 0 HG1 THR A 47 3.892 2.162 -5.697 1.00 21.22 H new ATOM 0 HG21 THR A 47 5.217 3.223 -7.381 1.00 62.33 H new ATOM 0 HG22 THR A 47 6.892 2.653 -7.569 1.00 62.33 H new ATOM 0 HG23 THR A 47 5.537 1.620 -8.082 1.00 62.33 H new ATOM 742 N TYR A 48 7.729 0.309 -3.672 1.00 24.24 N ATOM 743 CA TYR A 48 8.749 0.519 -2.651 1.00 31.34 C ATOM 744 C TYR A 48 9.939 -0.411 -2.870 1.00 11.43 C ATOM 745 O TYR A 48 11.092 0.014 -2.808 1.00 53.25 O ATOM 746 CB TYR A 48 8.160 0.291 -1.257 1.00 52.34 C ATOM 747 CG TYR A 48 8.064 1.552 -0.428 1.00 33.45 C ATOM 748 CD1 TYR A 48 7.411 2.678 -0.913 1.00 11.21 C ATOM 749 CD2 TYR A 48 8.626 1.616 0.841 1.00 3.41 C ATOM 750 CE1 TYR A 48 7.321 3.832 -0.159 1.00 1.13 C ATOM 751 CE2 TYR A 48 8.540 2.766 1.603 1.00 61.51 C ATOM 752 CZ TYR A 48 7.887 3.871 1.099 1.00 72.34 C ATOM 753 OH TYR A 48 7.800 5.018 1.854 1.00 60.22 O ATOM 0 H TYR A 48 6.919 -0.225 -3.356 1.00 24.24 H new ATOM 0 HA TYR A 48 9.097 1.549 -2.728 1.00 31.34 H new ATOM 0 HB2 TYR A 48 7.166 -0.144 -1.358 1.00 52.34 H new ATOM 0 HB3 TYR A 48 8.774 -0.437 -0.727 1.00 52.34 H new ATOM 0 HD1 TYR A 48 6.966 2.651 -1.897 1.00 11.21 H new ATOM 0 HD2 TYR A 48 9.139 0.753 1.239 1.00 3.41 H new ATOM 0 HE1 TYR A 48 6.811 4.699 -0.552 1.00 1.13 H new ATOM 0 HE2 TYR A 48 8.982 2.799 2.588 1.00 61.51 H new ATOM 0 HH TYR A 48 8.249 4.878 2.714 1.00 60.22 H new ATOM 763 N ASN A 49 9.649 -1.682 -3.126 1.00 71.02 N ATOM 764 CA ASN A 49 10.694 -2.673 -3.355 1.00 21.21 C ATOM 765 C ASN A 49 10.943 -2.867 -4.848 1.00 14.13 C ATOM 766 O ASN A 49 11.863 -3.579 -5.247 1.00 32.44 O ATOM 767 CB ASN A 49 10.310 -4.008 -2.713 1.00 55.21 C ATOM 768 CG ASN A 49 11.428 -5.029 -2.788 1.00 2.11 C ATOM 769 OD1 ASN A 49 11.207 -6.183 -3.155 1.00 32.04 O ATOM 770 ND2 ASN A 49 12.638 -4.607 -2.439 1.00 62.21 N ATOM 0 H ASN A 49 8.699 -2.050 -3.180 1.00 71.02 H new ATOM 0 HA ASN A 49 11.613 -2.308 -2.896 1.00 21.21 H new ATOM 0 HB2 ASN A 49 10.043 -3.842 -1.669 1.00 55.21 H new ATOM 0 HB3 ASN A 49 9.425 -4.405 -3.210 1.00 55.21 H new ATOM 0 HD21 ASN A 49 13.430 -5.249 -2.469 1.00 62.21 H new ATOM 0 HD22 ASN A 49 12.775 -3.641 -2.141 1.00 62.21 H new ATOM 777 N ASN A 50 10.115 -2.227 -5.668 1.00 4.12 N ATOM 778 CA ASN A 50 10.245 -2.329 -7.117 1.00 3.52 C ATOM 779 C ASN A 50 10.296 -3.788 -7.557 1.00 71.34 C ATOM 780 O ASN A 50 10.890 -4.117 -8.584 1.00 33.22 O ATOM 781 CB ASN A 50 11.504 -1.598 -7.589 1.00 55.45 C ATOM 782 CG ASN A 50 11.272 -0.817 -8.869 1.00 4.21 C ATOM 783 OD1 ASN A 50 10.835 -1.371 -9.877 1.00 62.43 O ATOM 784 ND2 ASN A 50 11.566 0.478 -8.833 1.00 61.20 N ATOM 0 H ASN A 50 9.348 -1.633 -5.354 1.00 4.12 H new ATOM 0 HA ASN A 50 9.370 -1.862 -7.569 1.00 3.52 H new ATOM 0 HB2 ASN A 50 11.841 -0.917 -6.807 1.00 55.45 H new ATOM 0 HB3 ASN A 50 12.303 -2.322 -7.748 1.00 55.45 H new ATOM 0 HD21 ASN A 50 11.432 1.055 -9.663 1.00 61.20 H new ATOM 0 HD22 ASN A 50 11.926 0.896 -7.975 1.00 61.20 H new ATOM 791 N ALA A 51 9.668 -4.659 -6.774 1.00 22.21 N ATOM 792 CA ALA A 51 9.639 -6.083 -7.084 1.00 62.12 C ATOM 793 C ALA A 51 8.310 -6.480 -7.718 1.00 43.12 C ATOM 794 O ALA A 51 7.252 -5.990 -7.324 1.00 50.20 O ATOM 795 CB ALA A 51 9.892 -6.902 -5.827 1.00 71.42 C ATOM 0 H ALA A 51 9.172 -4.403 -5.920 1.00 22.21 H new ATOM 0 HA ALA A 51 10.431 -6.289 -7.804 1.00 62.12 H new ATOM 0 HB1 ALA A 51 9.867 -7.964 -6.073 1.00 71.42 H new ATOM 0 HB2 ALA A 51 10.869 -6.647 -5.417 1.00 71.42 H new ATOM 0 HB3 ALA A 51 9.121 -6.683 -5.089 1.00 71.42 H new ATOM 801 N VAL A 52 8.372 -7.370 -8.703 1.00 63.15 N ATOM 802 CA VAL A 52 7.173 -7.833 -9.392 1.00 45.02 C ATOM 803 C VAL A 52 7.167 -9.352 -9.523 1.00 15.14 C ATOM 804 O VAL A 52 8.212 -9.973 -9.716 1.00 75.41 O ATOM 805 CB VAL A 52 7.055 -7.208 -10.795 1.00 2.32 C ATOM 806 CG1 VAL A 52 5.820 -7.733 -11.511 1.00 43.52 C ATOM 807 CG2 VAL A 52 7.022 -5.690 -10.700 1.00 11.21 C ATOM 0 H VAL A 52 9.240 -7.785 -9.042 1.00 63.15 H new ATOM 0 HA VAL A 52 6.321 -7.519 -8.789 1.00 45.02 H new ATOM 0 HB VAL A 52 7.931 -7.494 -11.377 1.00 2.32 H new ATOM 0 HG11 VAL A 52 5.753 -7.280 -12.500 1.00 43.52 H new ATOM 0 HG12 VAL A 52 5.890 -8.816 -11.611 1.00 43.52 H new ATOM 0 HG13 VAL A 52 4.930 -7.479 -10.935 1.00 43.52 H new ATOM 0 HG21 VAL A 52 6.938 -5.265 -11.700 1.00 11.21 H new ATOM 0 HG22 VAL A 52 6.165 -5.381 -10.102 1.00 11.21 H new ATOM 0 HG23 VAL A 52 7.939 -5.335 -10.230 1.00 11.21 H new ATOM 817 N ASP A 53 5.982 -9.944 -9.416 1.00 1.31 N ATOM 818 CA ASP A 53 5.838 -11.391 -9.524 1.00 0.15 C ATOM 819 C ASP A 53 4.601 -11.755 -10.338 1.00 52.24 C ATOM 820 O ASP A 53 3.474 -11.457 -9.942 1.00 54.33 O ATOM 821 CB ASP A 53 5.751 -12.021 -8.133 1.00 23.14 C ATOM 822 CG ASP A 53 7.018 -12.762 -7.753 1.00 20.41 C ATOM 823 OD1 ASP A 53 8.020 -12.094 -7.425 1.00 23.15 O ATOM 824 OD2 ASP A 53 7.007 -14.011 -7.785 1.00 24.11 O ATOM 0 H ASP A 53 5.108 -9.444 -9.255 1.00 1.31 H new ATOM 0 HA ASP A 53 6.717 -11.781 -10.038 1.00 0.15 H new ATOM 0 HB2 ASP A 53 5.554 -11.242 -7.396 1.00 23.14 H new ATOM 0 HB3 ASP A 53 4.907 -12.710 -8.102 1.00 23.14 H new ATOM 829 N CYS A 54 4.819 -12.400 -11.480 1.00 12.34 N ATOM 830 CA CYS A 54 3.723 -12.803 -12.352 1.00 33.30 C ATOM 831 C CYS A 54 3.452 -14.300 -12.228 1.00 53.12 C ATOM 832 O CYS A 54 4.379 -15.109 -12.207 1.00 20.53 O ATOM 833 CB CYS A 54 4.044 -12.450 -13.806 1.00 32.54 C ATOM 834 SG CYS A 54 2.576 -12.271 -14.869 1.00 15.01 S ATOM 0 H CYS A 54 5.745 -12.654 -11.822 1.00 12.34 H new ATOM 0 HA CYS A 54 2.828 -12.263 -12.043 1.00 33.30 H new ATOM 0 HB2 CYS A 54 4.610 -11.519 -13.826 1.00 32.54 H new ATOM 0 HB3 CYS A 54 4.689 -13.224 -14.223 1.00 32.54 H new ATOM 839 N ASP A 55 2.176 -14.660 -12.147 1.00 55.54 N ATOM 840 CA ASP A 55 1.781 -16.058 -12.027 1.00 64.42 C ATOM 841 C ASP A 55 1.282 -16.599 -13.363 1.00 61.15 C ATOM 842 O ASP A 55 1.527 -17.757 -13.706 1.00 53.33 O ATOM 843 CB ASP A 55 0.695 -16.215 -10.962 1.00 3.32 C ATOM 844 CG ASP A 55 0.567 -17.643 -10.471 1.00 70.41 C ATOM 845 OD1 ASP A 55 0.042 -18.487 -11.229 1.00 5.41 O ATOM 846 OD2 ASP A 55 0.992 -17.919 -9.330 1.00 12.33 O ATOM 0 H ASP A 55 1.397 -14.002 -12.162 1.00 55.54 H new ATOM 0 HA ASP A 55 2.658 -16.632 -11.728 1.00 64.42 H new ATOM 0 HB2 ASP A 55 0.921 -15.563 -10.118 1.00 3.32 H new ATOM 0 HB3 ASP A 55 -0.261 -15.888 -11.371 1.00 3.32 H new