USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 574 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 Single : A 14 ASN : amide:sc= 0.345 K(o=0.35,f=-2!) USER MOD Single : A 18 SER OG : rot 180:sc=0.000552 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -75:sc= 0.813 USER MOD Single : A 24 THR OG1 : rot 79:sc= 1.24 USER MOD Single : A 30 ASN : amide:sc= -2.16 K(o=-2.2,f=1.3) USER MOD Single : A 31 ASN : amide:sc=-0.00477 K(o=-0.0048,f=-0.92) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -98:sc= 1.33 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00555 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 1.16 K(o=1.2,f=-2.3!) USER MOD Single : A 52 ASN : amide:sc=-0.00732 K(o=-0.0073,f=-0.99) USER MOD Single : A 53 SER OG : rot 68:sc= 0.253 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.0614 X(o=0.061,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -65:sc= 1.25 USER MOD Single : A 82 ASN : amide:sc= -0.136 K(o=-0.14,f=-3.3!) USER MOD Single : A 83 MET CE :methyl -168:sc= -0.909 (180deg=-1.5) USER MOD Single : A 85 TYR OH : rot 180:sc= 0.437 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 14 -3.177 -2.259 -2.954 0.49 2.28 N ATOM 2 CA ASN A 14 -2.234 -2.569 -4.048 0.49 2.00 C ATOM 3 C ASN A 14 -0.828 -2.716 -3.479 0.49 1.85 C ATOM 4 O ASN A 14 -0.518 -2.055 -2.484 0.49 1.88 O ATOM 5 CB ASN A 14 -2.220 -1.486 -5.148 0.49 2.56 C ATOM 6 CG ASN A 14 -3.556 -1.302 -5.853 0.49 2.52 C ATOM 7 OD1 ASN A 14 -4.590 -1.781 -5.410 0.49 3.12 O ATOM 8 ND2 ASN A 14 -3.587 -0.589 -6.953 0.49 2.65 N ATOM 0 HA ASN A 14 -2.569 -3.500 -4.506 0.49 2.00 H new ATOM 0 HB2 ASN A 14 -1.921 -0.536 -4.705 0.49 2.56 H new ATOM 0 HB3 ASN A 14 -1.463 -1.744 -5.888 0.49 2.56 H new ATOM 0 HD21 ASN A 14 -4.472 -0.435 -7.436 0.49 2.65 H new ATOM 0 HD22 ASN A 14 -2.726 -0.188 -7.325 0.49 2.65 H new ATOM 15 N PRO A 15 0.070 -3.482 -4.129 0.49 1.89 N ATOM 16 CA PRO A 15 1.503 -3.220 -4.026 0.49 1.81 C ATOM 17 C PRO A 15 1.768 -1.771 -4.463 0.49 1.65 C ATOM 18 O PRO A 15 1.253 -1.321 -5.488 0.49 1.95 O ATOM 19 CB PRO A 15 2.178 -4.229 -4.963 0.49 1.99 C ATOM 20 CG PRO A 15 1.109 -4.511 -6.018 0.49 2.10 C ATOM 21 CD PRO A 15 -0.197 -4.393 -5.237 0.49 2.06 C ATOM 0 HA PRO A 15 1.890 -3.331 -3.013 0.49 1.81 H new ATOM 0 HB2 PRO A 15 3.083 -3.818 -5.410 0.49 1.99 H new ATOM 0 HB3 PRO A 15 2.468 -5.136 -4.433 0.49 1.99 H new ATOM 0 HG2 PRO A 15 1.154 -3.793 -6.837 0.49 2.10 H new ATOM 0 HG3 PRO A 15 1.228 -5.502 -6.456 0.49 2.10 H new ATOM 0 HD2 PRO A 15 -0.996 -4.010 -5.871 0.49 2.06 H new ATOM 0 HD3 PRO A 15 -0.520 -5.367 -4.870 0.49 2.06 H new ATOM 29 N CYS A 16 2.540 -1.016 -3.684 1.00 1.37 N ATOM 30 CA CYS A 16 2.749 0.409 -3.946 1.00 1.18 C ATOM 31 C CYS A 16 3.811 0.646 -5.030 1.00 1.14 C ATOM 32 O CYS A 16 4.958 1.003 -4.746 1.00 0.93 O ATOM 33 CB CYS A 16 3.015 1.142 -2.628 1.00 1.05 C ATOM 34 SG CYS A 16 1.487 1.720 -1.844 1.00 0.99 S ATOM 0 H CYS A 16 3.033 -1.368 -2.863 1.00 1.37 H new ATOM 0 HA CYS A 16 1.839 0.838 -4.366 1.00 1.18 H new ATOM 0 HB2 CYS A 16 3.543 0.477 -1.945 1.00 1.05 H new ATOM 0 HB3 CYS A 16 3.670 1.993 -2.814 1.00 1.05 H new ATOM 39 N LEU A 17 3.401 0.498 -6.293 1.00 1.39 N ATOM 40 CA LEU A 17 4.205 0.802 -7.486 1.00 1.32 C ATOM 41 C LEU A 17 4.832 2.206 -7.436 1.00 1.22 C ATOM 42 O LEU A 17 5.900 2.420 -8.002 1.00 1.10 O ATOM 43 CB LEU A 17 3.319 0.655 -8.745 1.00 1.54 C ATOM 44 CG LEU A 17 3.282 -0.740 -9.401 1.00 1.66 C ATOM 45 CD1 LEU A 17 4.650 -1.117 -9.968 1.00 2.33 C ATOM 46 CD2 LEU A 17 2.806 -1.840 -8.453 1.00 2.64 C ATOM 0 H LEU A 17 2.470 0.152 -6.524 1.00 1.39 H new ATOM 0 HA LEU A 17 5.032 0.093 -7.521 1.00 1.32 H new ATOM 0 HB2 LEU A 17 2.299 0.934 -8.479 1.00 1.54 H new ATOM 0 HB3 LEU A 17 3.662 1.373 -9.490 1.00 1.54 H new ATOM 0 HG LEU A 17 2.554 -0.666 -10.209 1.00 1.66 H new ATOM 0 HD11 LEU A 17 4.595 -2.105 -10.425 1.00 2.33 H new ATOM 0 HD12 LEU A 17 4.946 -0.386 -10.720 1.00 2.33 H new ATOM 0 HD13 LEU A 17 5.386 -1.129 -9.164 1.00 2.33 H new ATOM 0 HD21 LEU A 17 2.803 -2.796 -8.977 1.00 2.64 H new ATOM 0 HD22 LEU A 17 3.477 -1.898 -7.596 1.00 2.64 H new ATOM 0 HD23 LEU A 17 1.797 -1.612 -8.109 1.00 2.64 H new ATOM 58 N SER A 18 4.214 3.139 -6.711 1.00 1.36 N ATOM 59 CA SER A 18 4.713 4.493 -6.454 1.00 1.42 C ATOM 60 C SER A 18 6.029 4.502 -5.651 1.00 1.17 C ATOM 61 O SER A 18 7.020 5.074 -6.113 1.00 1.11 O ATOM 62 CB SER A 18 3.631 5.279 -5.708 1.00 1.79 C ATOM 63 OG SER A 18 2.353 5.124 -6.309 1.00 2.20 O ATOM 0 H SER A 18 3.312 2.965 -6.267 1.00 1.36 H new ATOM 0 HA SER A 18 4.936 4.959 -7.414 1.00 1.42 H new ATOM 0 HB2 SER A 18 3.588 4.943 -4.672 1.00 1.79 H new ATOM 0 HB3 SER A 18 3.898 6.336 -5.690 1.00 1.79 H new ATOM 0 HG SER A 18 1.689 5.639 -5.804 1.00 2.20 H new ATOM 69 N GLU A 19 6.092 3.802 -4.506 1.00 1.13 N ATOM 70 CA GLU A 19 7.343 3.591 -3.748 1.00 0.98 C ATOM 71 C GLU A 19 8.311 2.689 -4.527 1.00 0.78 C ATOM 72 O GLU A 19 9.532 2.839 -4.422 1.00 0.74 O ATOM 73 CB GLU A 19 7.086 2.923 -2.377 1.00 1.23 C ATOM 74 CG GLU A 19 6.252 3.704 -1.354 1.00 1.37 C ATOM 75 CD GLU A 19 6.925 4.998 -0.875 1.00 1.39 C ATOM 76 OE1 GLU A 19 6.757 6.038 -1.555 1.00 1.93 O ATOM 77 OE2 GLU A 19 7.638 5.021 0.161 1.00 2.51 O ATOM 0 H GLU A 19 5.277 3.364 -4.077 1.00 1.13 H new ATOM 0 HA GLU A 19 7.774 4.581 -3.597 1.00 0.98 H new ATOM 0 HB2 GLU A 19 6.591 1.968 -2.556 1.00 1.23 H new ATOM 0 HB3 GLU A 19 8.052 2.702 -1.924 1.00 1.23 H new ATOM 0 HG2 GLU A 19 5.286 3.948 -1.795 1.00 1.37 H new ATOM 0 HG3 GLU A 19 6.057 3.065 -0.493 1.00 1.37 H new ATOM 84 N SER A 20 7.782 1.750 -5.322 1.00 0.78 N ATOM 85 CA SER A 20 8.617 0.812 -6.088 1.00 0.76 C ATOM 86 C SER A 20 9.380 1.502 -7.231 1.00 0.78 C ATOM 87 O SER A 20 10.538 1.193 -7.492 1.00 0.81 O ATOM 88 CB SER A 20 7.794 -0.361 -6.609 1.00 0.94 C ATOM 89 OG SER A 20 8.622 -1.513 -6.658 1.00 1.78 O ATOM 0 H SER A 20 6.779 1.619 -5.452 1.00 0.78 H new ATOM 0 HA SER A 20 9.365 0.424 -5.397 1.00 0.76 H new ATOM 0 HB2 SER A 20 6.937 -0.539 -5.959 1.00 0.94 H new ATOM 0 HB3 SER A 20 7.401 -0.136 -7.600 1.00 0.94 H new ATOM 0 HG SER A 20 8.103 -2.275 -6.990 1.00 1.78 H new ATOM 95 N ASP A 21 8.772 2.504 -7.859 1.00 0.84 N ATOM 96 CA ASP A 21 9.338 3.336 -8.926 1.00 0.95 C ATOM 97 C ASP A 21 10.464 4.268 -8.417 1.00 0.95 C ATOM 98 O ASP A 21 11.534 4.365 -9.032 1.00 1.09 O ATOM 99 CB ASP A 21 8.128 4.076 -9.518 1.00 1.17 C ATOM 100 CG ASP A 21 8.439 5.201 -10.492 1.00 1.57 C ATOM 101 OD1 ASP A 21 8.550 4.946 -11.716 1.00 2.05 O ATOM 102 OD2 ASP A 21 8.483 6.368 -10.040 1.00 2.57 O ATOM 0 H ASP A 21 7.817 2.776 -7.627 1.00 0.84 H new ATOM 0 HA ASP A 21 9.846 2.748 -9.691 1.00 0.95 H new ATOM 0 HB2 ASP A 21 7.496 3.348 -10.027 1.00 1.17 H new ATOM 0 HB3 ASP A 21 7.542 4.487 -8.696 1.00 1.17 H new ATOM 107 N ALA A 22 10.281 4.885 -7.245 1.00 0.88 N ATOM 108 CA ALA A 22 11.308 5.718 -6.615 1.00 0.97 C ATOM 109 C ALA A 22 12.447 4.886 -5.994 1.00 0.91 C ATOM 110 O ALA A 22 13.618 5.228 -6.153 1.00 1.07 O ATOM 111 CB ALA A 22 10.637 6.616 -5.576 1.00 1.02 C ATOM 0 H ALA A 22 9.417 4.820 -6.707 1.00 0.88 H new ATOM 0 HA ALA A 22 11.780 6.331 -7.383 1.00 0.97 H new ATOM 0 HB1 ALA A 22 11.389 7.243 -5.097 1.00 1.02 H new ATOM 0 HB2 ALA A 22 9.896 7.248 -6.065 1.00 1.02 H new ATOM 0 HB3 ALA A 22 10.147 5.998 -4.823 1.00 1.02 H new ATOM 117 N SER A 23 12.146 3.737 -5.377 1.00 0.72 N ATOM 118 CA SER A 23 13.198 2.781 -4.997 1.00 0.72 C ATOM 119 C SER A 23 13.928 2.219 -6.217 1.00 0.74 C ATOM 120 O SER A 23 15.140 2.059 -6.148 1.00 0.82 O ATOM 121 CB SER A 23 12.692 1.646 -4.110 1.00 0.77 C ATOM 122 OG SER A 23 11.545 1.035 -4.652 1.00 1.62 O ATOM 0 H SER A 23 11.199 3.448 -5.132 1.00 0.72 H new ATOM 0 HA SER A 23 13.908 3.357 -4.404 1.00 0.72 H new ATOM 0 HB2 SER A 23 13.478 0.901 -3.988 1.00 0.77 H new ATOM 0 HB3 SER A 23 12.463 2.034 -3.117 1.00 0.77 H new ATOM 0 HG SER A 23 10.769 1.619 -4.518 1.00 1.62 H new ATOM 128 N THR A 24 13.259 2.031 -7.362 1.00 0.80 N ATOM 129 CA THR A 24 13.922 1.705 -8.639 1.00 0.99 C ATOM 130 C THR A 24 14.893 2.815 -9.061 1.00 1.13 C ATOM 131 O THR A 24 16.015 2.493 -9.461 1.00 1.25 O ATOM 132 CB THR A 24 12.903 1.400 -9.754 1.00 1.08 C ATOM 133 OG1 THR A 24 12.142 0.265 -9.409 1.00 1.06 O ATOM 134 CG2 THR A 24 13.553 1.076 -11.097 1.00 1.26 C ATOM 0 H THR A 24 12.244 2.100 -7.433 1.00 0.80 H new ATOM 0 HA THR A 24 14.503 0.797 -8.477 1.00 0.99 H new ATOM 0 HB THR A 24 12.300 2.303 -9.852 1.00 1.08 H new ATOM 0 HG1 THR A 24 11.446 0.520 -8.768 1.00 1.06 H new ATOM 0 HG21 THR A 24 12.778 0.871 -11.836 1.00 1.26 H new ATOM 0 HG22 THR A 24 14.153 1.925 -11.425 1.00 1.26 H new ATOM 0 HG23 THR A 24 14.193 0.200 -10.990 1.00 1.26 H new ATOM 142 N ARG A 25 14.537 4.106 -8.896 1.00 1.15 N ATOM 143 CA ARG A 25 15.493 5.227 -9.096 1.00 1.29 C ATOM 144 C ARG A 25 16.712 5.131 -8.169 1.00 1.29 C ATOM 145 O ARG A 25 17.839 5.231 -8.653 1.00 1.47 O ATOM 146 CB ARG A 25 14.852 6.622 -8.919 1.00 1.37 C ATOM 147 CG ARG A 25 13.676 6.984 -9.836 1.00 1.60 C ATOM 148 CD ARG A 25 13.955 6.649 -11.303 1.00 2.24 C ATOM 149 NE ARG A 25 12.918 7.177 -12.203 1.00 2.69 N ATOM 150 CZ ARG A 25 11.703 6.697 -12.380 1.00 3.45 C ATOM 151 NH1 ARG A 25 11.238 5.689 -11.703 1.00 4.01 N ATOM 152 NH2 ARG A 25 10.919 7.226 -13.267 1.00 4.57 N ATOM 0 H ARG A 25 13.599 4.402 -8.626 1.00 1.15 H new ATOM 0 HA ARG A 25 15.813 5.122 -10.133 1.00 1.29 H new ATOM 0 HB2 ARG A 25 14.512 6.707 -7.887 1.00 1.37 H new ATOM 0 HB3 ARG A 25 15.632 7.371 -9.061 1.00 1.37 H new ATOM 0 HG2 ARG A 25 12.785 6.449 -9.507 1.00 1.60 H new ATOM 0 HG3 ARG A 25 13.461 8.049 -9.744 1.00 1.60 H new ATOM 0 HD2 ARG A 25 14.924 7.058 -11.589 1.00 2.24 H new ATOM 0 HD3 ARG A 25 14.019 5.567 -11.421 1.00 2.24 H new ATOM 0 HE ARG A 25 13.165 8.003 -12.748 1.00 2.69 H new ATOM 0 HH11 ARG A 25 11.821 5.235 -11.000 1.00 4.01 H new ATOM 0 HH12 ARG A 25 10.291 5.353 -11.875 1.00 4.01 H new ATOM 0 HH21 ARG A 25 11.242 8.014 -13.828 1.00 4.57 H new ATOM 0 HH22 ARG A 25 9.979 6.854 -13.403 1.00 4.57 H new ATOM 166 N CYS A 26 16.501 4.892 -6.873 1.00 1.15 N ATOM 167 CA CYS A 26 17.580 4.680 -5.899 1.00 1.16 C ATOM 168 C CYS A 26 18.492 3.506 -6.298 1.00 1.16 C ATOM 169 O CYS A 26 19.715 3.630 -6.355 1.00 1.33 O ATOM 170 CB CYS A 26 16.963 4.447 -4.509 1.00 1.04 C ATOM 171 SG CYS A 26 18.081 3.663 -3.313 1.00 1.09 S ATOM 0 H CYS A 26 15.568 4.839 -6.464 1.00 1.15 H new ATOM 0 HA CYS A 26 18.208 5.571 -5.877 1.00 1.16 H new ATOM 0 HB2 CYS A 26 16.634 5.405 -4.106 1.00 1.04 H new ATOM 0 HB3 CYS A 26 16.075 3.825 -4.619 1.00 1.04 H new ATOM 176 N LEU A 27 17.901 2.357 -6.608 1.00 1.05 N ATOM 177 CA LEU A 27 18.608 1.119 -6.942 1.00 1.13 C ATOM 178 C LEU A 27 19.449 1.245 -8.215 1.00 1.35 C ATOM 179 O LEU A 27 20.562 0.718 -8.274 1.00 1.53 O ATOM 180 CB LEU A 27 17.551 0.012 -7.048 1.00 1.08 C ATOM 181 CG LEU A 27 17.369 -0.758 -5.735 1.00 0.99 C ATOM 182 CD1 LEU A 27 17.329 0.019 -4.412 1.00 0.84 C ATOM 183 CD2 LEU A 27 16.107 -1.613 -5.808 1.00 1.01 C ATOM 0 H LEU A 27 16.886 2.255 -6.635 1.00 1.05 H new ATOM 0 HA LEU A 27 19.330 0.880 -6.162 1.00 1.13 H new ATOM 0 HB2 LEU A 27 16.598 0.452 -7.342 1.00 1.08 H new ATOM 0 HB3 LEU A 27 17.837 -0.684 -7.836 1.00 1.08 H new ATOM 0 HG LEU A 27 18.298 -1.325 -5.681 1.00 0.99 H new ATOM 0 HD11 LEU A 27 17.195 -0.678 -3.585 1.00 0.84 H new ATOM 0 HD12 LEU A 27 18.265 0.562 -4.281 1.00 0.84 H new ATOM 0 HD13 LEU A 27 16.499 0.725 -4.430 1.00 0.84 H new ATOM 0 HD21 LEU A 27 15.982 -2.158 -4.872 1.00 1.01 H new ATOM 0 HD22 LEU A 27 15.242 -0.971 -5.972 1.00 1.01 H new ATOM 0 HD23 LEU A 27 16.195 -2.321 -6.632 1.00 1.01 H new ATOM 195 N ASP A 28 18.931 2.000 -9.176 1.00 1.37 N ATOM 196 CA ASP A 28 19.618 2.450 -10.397 1.00 1.61 C ATOM 197 C ASP A 28 20.756 3.459 -10.124 1.00 1.72 C ATOM 198 O ASP A 28 21.793 3.414 -10.791 1.00 1.92 O ATOM 199 CB ASP A 28 18.565 3.058 -11.338 1.00 1.65 C ATOM 200 CG ASP A 28 19.105 3.303 -12.742 1.00 2.02 C ATOM 201 OD1 ASP A 28 19.485 2.311 -13.399 1.00 3.06 O ATOM 202 OD2 ASP A 28 19.094 4.469 -13.211 1.00 2.36 O ATOM 0 H ASP A 28 17.969 2.337 -9.129 1.00 1.37 H new ATOM 0 HA ASP A 28 20.101 1.587 -10.855 1.00 1.61 H new ATOM 0 HB2 ASP A 28 17.705 2.390 -11.395 1.00 1.65 H new ATOM 0 HB3 ASP A 28 18.210 4.000 -10.920 1.00 1.65 H new ATOM 207 N GLU A 29 20.599 4.339 -9.126 1.00 1.64 N ATOM 208 CA GLU A 29 21.595 5.329 -8.694 1.00 1.78 C ATOM 209 C GLU A 29 22.835 4.736 -8.010 1.00 1.75 C ATOM 210 O GLU A 29 23.962 5.123 -8.326 1.00 1.91 O ATOM 211 CB GLU A 29 20.929 6.331 -7.724 1.00 1.76 C ATOM 212 CG GLU A 29 20.742 7.732 -8.318 1.00 1.96 C ATOM 213 CD GLU A 29 22.042 8.537 -8.447 1.00 2.64 C ATOM 214 OE1 GLU A 29 22.773 8.356 -9.450 1.00 3.87 O ATOM 215 OE2 GLU A 29 22.341 9.399 -7.576 1.00 2.74 O ATOM 0 H GLU A 29 19.741 4.382 -8.576 1.00 1.64 H new ATOM 0 HA GLU A 29 21.947 5.811 -9.606 1.00 1.78 H new ATOM 0 HB2 GLU A 29 19.957 5.941 -7.423 1.00 1.76 H new ATOM 0 HB3 GLU A 29 21.535 6.407 -6.821 1.00 1.76 H new ATOM 0 HG2 GLU A 29 20.286 7.639 -9.303 1.00 1.96 H new ATOM 0 HG3 GLU A 29 20.043 8.289 -7.694 1.00 1.96 H new ATOM 222 N ASN A 30 22.646 3.855 -7.025 1.00 1.56 N ATOM 223 CA ASN A 30 23.669 3.497 -6.037 1.00 1.49 C ATOM 224 C ASN A 30 23.983 1.987 -5.984 1.00 1.44 C ATOM 225 O ASN A 30 24.052 1.424 -4.892 1.00 1.66 O ATOM 226 CB ASN A 30 23.267 4.114 -4.675 1.00 1.47 C ATOM 227 CG ASN A 30 21.848 3.799 -4.228 1.00 1.38 C ATOM 228 OD1 ASN A 30 21.106 4.669 -3.794 1.00 1.39 O ATOM 229 ND2 ASN A 30 21.429 2.561 -4.358 1.00 1.40 N ATOM 0 H ASN A 30 21.764 3.362 -6.888 1.00 1.56 H new ATOM 0 HA ASN A 30 24.625 3.923 -6.342 1.00 1.49 H new ATOM 0 HB2 ASN A 30 23.961 3.760 -3.912 1.00 1.47 H new ATOM 0 HB3 ASN A 30 23.383 5.196 -4.734 1.00 1.47 H new ATOM 0 HD21 ASN A 30 20.474 2.315 -4.096 1.00 1.40 H new ATOM 0 HD22 ASN A 30 22.058 1.845 -4.721 1.00 1.40 H new ATOM 236 N ASN A 31 24.092 1.302 -7.127 1.00 1.47 N ATOM 237 CA ASN A 31 24.364 -0.144 -7.231 1.00 1.55 C ATOM 238 C ASN A 31 23.542 -1.005 -6.240 1.00 1.28 C ATOM 239 O ASN A 31 24.081 -1.750 -5.412 1.00 1.30 O ATOM 240 CB ASN A 31 25.880 -0.407 -7.193 1.00 1.94 C ATOM 241 CG ASN A 31 26.253 -1.819 -7.626 1.00 3.13 C ATOM 242 OD1 ASN A 31 25.482 -2.555 -8.232 1.00 3.94 O ATOM 243 ND2 ASN A 31 27.464 -2.230 -7.344 1.00 3.82 N ATOM 0 H ASN A 31 23.991 1.749 -8.038 1.00 1.47 H new ATOM 0 HA ASN A 31 24.007 -0.480 -8.204 1.00 1.55 H new ATOM 0 HB2 ASN A 31 26.383 0.310 -7.841 1.00 1.94 H new ATOM 0 HB3 ASN A 31 26.247 -0.235 -6.181 1.00 1.94 H new ATOM 0 HD21 ASN A 31 27.765 -3.162 -7.628 1.00 3.82 H new ATOM 0 HD22 ASN A 31 28.106 -1.618 -6.840 1.00 3.82 H new ATOM 250 N TYR A 32 22.217 -0.859 -6.323 1.00 1.21 N ATOM 251 CA TYR A 32 21.223 -1.677 -5.624 1.00 1.17 C ATOM 252 C TYR A 32 21.287 -1.662 -4.076 1.00 1.08 C ATOM 253 O TYR A 32 21.263 -2.709 -3.431 1.00 1.29 O ATOM 254 CB TYR A 32 21.169 -3.081 -6.260 1.00 1.48 C ATOM 255 CG TYR A 32 19.778 -3.674 -6.351 1.00 1.67 C ATOM 256 CD1 TYR A 32 19.217 -4.362 -5.260 1.00 2.80 C ATOM 257 CD2 TYR A 32 19.040 -3.532 -7.542 1.00 2.39 C ATOM 258 CE1 TYR A 32 17.933 -4.924 -5.362 1.00 3.07 C ATOM 259 CE2 TYR A 32 17.759 -4.102 -7.650 1.00 2.60 C ATOM 260 CZ TYR A 32 17.207 -4.814 -6.564 1.00 2.33 C ATOM 261 OH TYR A 32 15.984 -5.400 -6.660 1.00 2.74 O ATOM 0 H TYR A 32 21.790 -0.137 -6.904 1.00 1.21 H new ATOM 0 HA TYR A 32 20.258 -1.195 -5.778 1.00 1.17 H new ATOM 0 HB2 TYR A 32 21.595 -3.029 -7.262 1.00 1.48 H new ATOM 0 HB3 TYR A 32 21.800 -3.754 -5.680 1.00 1.48 H new ATOM 0 HD1 TYR A 32 19.775 -4.459 -4.340 1.00 2.80 H new ATOM 0 HD2 TYR A 32 19.458 -2.985 -8.374 1.00 2.39 H new ATOM 0 HE1 TYR A 32 17.502 -5.441 -4.517 1.00 3.07 H new ATOM 0 HE2 TYR A 32 17.197 -3.995 -8.566 1.00 2.60 H new ATOM 0 HH TYR A 32 15.610 -5.233 -7.551 1.00 2.74 H new ATOM 271 N ASP A 33 21.326 -0.481 -3.444 1.00 0.95 N ATOM 272 CA ASP A 33 21.304 -0.335 -1.976 1.00 1.04 C ATOM 273 C ASP A 33 19.879 -0.467 -1.405 1.00 0.94 C ATOM 274 O ASP A 33 19.279 0.455 -0.846 1.00 0.96 O ATOM 275 CB ASP A 33 22.054 0.924 -1.509 1.00 1.20 C ATOM 276 CG ASP A 33 22.483 0.830 -0.035 1.00 1.50 C ATOM 277 OD1 ASP A 33 21.874 0.065 0.751 1.00 2.04 O ATOM 278 OD2 ASP A 33 23.482 1.494 0.338 1.00 2.28 O ATOM 0 H ASP A 33 21.374 0.410 -3.939 1.00 0.95 H new ATOM 0 HA ASP A 33 21.861 -1.171 -1.553 1.00 1.04 H new ATOM 0 HB2 ASP A 33 22.935 1.073 -2.133 1.00 1.20 H new ATOM 0 HB3 ASP A 33 21.416 1.797 -1.645 1.00 1.20 H new ATOM 283 N ARG A 34 19.343 -1.679 -1.552 1.00 0.95 N ATOM 284 CA ARG A 34 18.080 -2.179 -0.973 1.00 0.95 C ATOM 285 C ARG A 34 17.978 -2.063 0.555 1.00 1.15 C ATOM 286 O ARG A 34 16.901 -2.304 1.099 1.00 1.12 O ATOM 287 CB ARG A 34 17.883 -3.644 -1.411 1.00 1.21 C ATOM 288 CG ARG A 34 19.005 -4.564 -0.896 1.00 1.98 C ATOM 289 CD ARG A 34 18.778 -6.017 -1.306 1.00 2.37 C ATOM 290 NE ARG A 34 19.920 -6.867 -0.924 1.00 3.50 N ATOM 291 CZ ARG A 34 20.073 -8.134 -1.258 1.00 4.11 C ATOM 292 NH1 ARG A 34 19.163 -8.775 -1.935 1.00 3.99 N ATOM 293 NH2 ARG A 34 21.149 -8.776 -0.920 1.00 5.47 N ATOM 0 H ARG A 34 19.806 -2.392 -2.116 1.00 0.95 H new ATOM 0 HA ARG A 34 17.287 -1.536 -1.355 1.00 0.95 H new ATOM 0 HB2 ARG A 34 16.923 -4.005 -1.043 1.00 1.21 H new ATOM 0 HB3 ARG A 34 17.846 -3.694 -2.499 1.00 1.21 H new ATOM 0 HG2 ARG A 34 19.964 -4.222 -1.286 1.00 1.98 H new ATOM 0 HG3 ARG A 34 19.060 -4.497 0.191 1.00 1.98 H new ATOM 0 HD2 ARG A 34 17.869 -6.392 -0.835 1.00 2.37 H new ATOM 0 HD3 ARG A 34 18.625 -6.073 -2.384 1.00 2.37 H new ATOM 0 HE ARG A 34 20.652 -6.441 -0.355 1.00 3.50 H new ATOM 0 HH11 ARG A 34 18.308 -8.297 -2.219 1.00 3.99 H new ATOM 0 HH12 ARG A 34 19.306 -9.755 -2.181 1.00 3.99 H new ATOM 0 HH21 ARG A 34 21.882 -8.301 -0.393 1.00 5.47 H new ATOM 0 HH22 ARG A 34 21.262 -9.756 -1.181 1.00 5.47 H new ATOM 307 N GLU A 35 19.066 -1.715 1.245 1.00 1.42 N ATOM 308 CA GLU A 35 19.082 -1.475 2.693 1.00 1.67 C ATOM 309 C GLU A 35 18.887 0.007 3.028 1.00 1.69 C ATOM 310 O GLU A 35 17.994 0.327 3.816 1.00 1.85 O ATOM 311 CB GLU A 35 20.347 -2.045 3.347 1.00 1.92 C ATOM 312 CG GLU A 35 20.397 -3.576 3.235 1.00 2.02 C ATOM 313 CD GLU A 35 21.329 -4.168 4.291 1.00 2.60 C ATOM 314 OE1 GLU A 35 20.932 -4.241 5.480 1.00 3.55 O ATOM 315 OE2 GLU A 35 22.476 -4.561 3.972 1.00 2.91 O ATOM 0 H GLU A 35 19.978 -1.589 0.807 1.00 1.42 H new ATOM 0 HA GLU A 35 18.232 -2.010 3.116 1.00 1.67 H new ATOM 0 HB2 GLU A 35 21.229 -1.615 2.872 1.00 1.92 H new ATOM 0 HB3 GLU A 35 20.377 -1.755 4.397 1.00 1.92 H new ATOM 0 HG2 GLU A 35 19.395 -3.987 3.357 1.00 2.02 H new ATOM 0 HG3 GLU A 35 20.740 -3.861 2.240 1.00 2.02 H new ATOM 322 N ARG A 36 19.617 0.932 2.385 1.00 1.60 N ATOM 323 CA ARG A 36 19.320 2.380 2.486 1.00 1.66 C ATOM 324 C ARG A 36 17.972 2.750 1.871 1.00 1.50 C ATOM 325 O ARG A 36 17.350 3.710 2.320 1.00 1.85 O ATOM 326 CB ARG A 36 20.448 3.228 1.884 1.00 1.69 C ATOM 327 CG ARG A 36 21.657 3.201 2.822 1.00 1.89 C ATOM 328 CD ARG A 36 22.658 4.303 2.487 1.00 3.04 C ATOM 329 NE ARG A 36 23.702 4.372 3.519 1.00 3.05 N ATOM 330 CZ ARG A 36 24.705 5.216 3.596 1.00 4.07 C ATOM 331 NH1 ARG A 36 24.926 6.160 2.729 1.00 5.39 N ATOM 332 NH2 ARG A 36 25.543 5.111 4.577 1.00 4.13 N ATOM 0 H ARG A 36 20.415 0.710 1.790 1.00 1.60 H new ATOM 0 HA ARG A 36 19.255 2.605 3.551 1.00 1.66 H new ATOM 0 HB2 ARG A 36 20.725 2.841 0.903 1.00 1.69 H new ATOM 0 HB3 ARG A 36 20.109 4.254 1.738 1.00 1.69 H new ATOM 0 HG2 ARG A 36 21.320 3.316 3.852 1.00 1.89 H new ATOM 0 HG3 ARG A 36 22.148 2.230 2.754 1.00 1.89 H new ATOM 0 HD2 ARG A 36 23.110 4.110 1.514 1.00 3.04 H new ATOM 0 HD3 ARG A 36 22.144 5.261 2.415 1.00 3.04 H new ATOM 0 HE ARG A 36 23.640 3.680 4.266 1.00 3.05 H new ATOM 0 HH11 ARG A 36 24.301 6.277 1.932 1.00 5.39 H new ATOM 0 HH12 ARG A 36 25.724 6.784 2.847 1.00 5.39 H new ATOM 0 HH21 ARG A 36 25.419 4.380 5.277 1.00 4.13 H new ATOM 0 HH22 ARG A 36 26.327 5.760 4.650 1.00 4.13 H new ATOM 346 N CYS A 37 17.490 1.958 0.917 1.00 1.07 N ATOM 347 CA CYS A 37 16.160 2.078 0.323 1.00 0.88 C ATOM 348 C CYS A 37 15.187 0.964 0.777 1.00 0.77 C ATOM 349 O CYS A 37 14.217 0.655 0.082 1.00 0.58 O ATOM 350 CB CYS A 37 16.319 2.285 -1.190 1.00 0.69 C ATOM 351 SG CYS A 37 17.165 3.861 -1.517 1.00 0.99 S ATOM 0 H CYS A 37 18.032 1.189 0.522 1.00 1.07 H new ATOM 0 HA CYS A 37 15.650 2.963 0.702 1.00 0.88 H new ATOM 0 HB2 CYS A 37 16.888 1.461 -1.620 1.00 0.69 H new ATOM 0 HB3 CYS A 37 15.341 2.281 -1.671 1.00 0.69 H new ATOM 356 N SER A 38 15.408 0.396 1.973 1.00 1.03 N ATOM 357 CA SER A 38 14.476 -0.541 2.634 1.00 1.05 C ATOM 358 C SER A 38 13.196 0.130 3.155 1.00 1.03 C ATOM 359 O SER A 38 12.164 -0.519 3.272 1.00 1.00 O ATOM 360 CB SER A 38 15.159 -1.266 3.800 1.00 1.29 C ATOM 361 OG SER A 38 15.604 -0.345 4.784 1.00 2.80 O ATOM 0 H SER A 38 16.251 0.575 2.519 1.00 1.03 H new ATOM 0 HA SER A 38 14.187 -1.251 1.859 1.00 1.05 H new ATOM 0 HB2 SER A 38 14.463 -1.975 4.249 1.00 1.29 H new ATOM 0 HB3 SER A 38 16.006 -1.843 3.428 1.00 1.29 H new ATOM 0 HG SER A 38 16.557 -0.161 4.652 1.00 2.80 H new ATOM 367 N THR A 39 13.232 1.438 3.415 1.00 1.10 N ATOM 368 CA THR A 39 12.091 2.268 3.852 1.00 1.12 C ATOM 369 C THR A 39 10.935 2.242 2.843 1.00 0.96 C ATOM 370 O THR A 39 9.762 2.070 3.191 1.00 0.90 O ATOM 371 CB THR A 39 12.584 3.715 4.019 1.00 1.30 C ATOM 372 OG1 THR A 39 13.261 4.124 2.853 1.00 2.28 O ATOM 373 CG2 THR A 39 13.614 3.873 5.136 1.00 1.65 C ATOM 0 H THR A 39 14.092 1.979 3.325 1.00 1.10 H new ATOM 0 HA THR A 39 11.713 1.865 4.792 1.00 1.12 H new ATOM 0 HB THR A 39 11.691 4.301 4.238 1.00 1.30 H new ATOM 0 HG1 THR A 39 13.572 5.047 2.962 1.00 2.28 H new ATOM 0 HG21 THR A 39 13.922 4.917 5.202 1.00 1.65 H new ATOM 0 HG22 THR A 39 13.173 3.564 6.084 1.00 1.65 H new ATOM 0 HG23 THR A 39 14.483 3.252 4.920 1.00 1.65 H new ATOM 381 N TYR A 40 11.278 2.339 1.557 1.00 0.92 N ATOM 382 CA TYR A 40 10.368 2.186 0.419 1.00 0.74 C ATOM 383 C TYR A 40 9.698 0.799 0.440 1.00 0.65 C ATOM 384 O TYR A 40 8.474 0.709 0.384 1.00 0.66 O ATOM 385 CB TYR A 40 11.141 2.378 -0.896 1.00 0.63 C ATOM 386 CG TYR A 40 11.898 3.687 -1.093 1.00 0.69 C ATOM 387 CD1 TYR A 40 13.134 3.894 -0.447 1.00 1.95 C ATOM 388 CD2 TYR A 40 11.429 4.658 -2.000 1.00 2.04 C ATOM 389 CE1 TYR A 40 13.899 5.047 -0.703 1.00 2.08 C ATOM 390 CE2 TYR A 40 12.196 5.812 -2.265 1.00 2.09 C ATOM 391 CZ TYR A 40 13.440 6.006 -1.630 1.00 1.09 C ATOM 392 OH TYR A 40 14.192 7.108 -1.892 1.00 1.38 O ATOM 0 H TYR A 40 12.236 2.534 1.268 1.00 0.92 H new ATOM 0 HA TYR A 40 9.589 2.945 0.492 1.00 0.74 H new ATOM 0 HB2 TYR A 40 11.857 1.561 -0.986 1.00 0.63 H new ATOM 0 HB3 TYR A 40 10.433 2.274 -1.718 1.00 0.63 H new ATOM 0 HD1 TYR A 40 13.499 3.158 0.254 1.00 1.95 H new ATOM 0 HD2 TYR A 40 10.479 4.518 -2.494 1.00 2.04 H new ATOM 0 HE1 TYR A 40 14.837 5.198 -0.190 1.00 2.08 H new ATOM 0 HE2 TYR A 40 11.828 6.552 -2.960 1.00 2.09 H new ATOM 0 HH TYR A 40 13.734 7.667 -2.554 1.00 1.38 H new ATOM 402 N PHE A 41 10.485 -0.273 0.603 1.00 0.67 N ATOM 403 CA PHE A 41 10.000 -1.655 0.750 1.00 0.74 C ATOM 404 C PHE A 41 9.073 -1.825 1.968 1.00 0.82 C ATOM 405 O PHE A 41 8.031 -2.479 1.879 1.00 0.84 O ATOM 406 CB PHE A 41 11.208 -2.608 0.820 1.00 0.97 C ATOM 407 CG PHE A 41 10.997 -3.850 1.671 1.00 2.35 C ATOM 408 CD1 PHE A 41 10.154 -4.882 1.219 1.00 2.91 C ATOM 409 CD2 PHE A 41 11.588 -3.942 2.948 1.00 4.25 C ATOM 410 CE1 PHE A 41 9.920 -6.006 2.033 1.00 4.50 C ATOM 411 CE2 PHE A 41 11.346 -5.063 3.761 1.00 5.78 C ATOM 412 CZ PHE A 41 10.516 -6.099 3.302 1.00 5.72 C ATOM 0 H PHE A 41 11.502 -0.203 0.637 1.00 0.67 H new ATOM 0 HA PHE A 41 9.394 -1.903 -0.122 1.00 0.74 H new ATOM 0 HB2 PHE A 41 11.466 -2.919 -0.192 1.00 0.97 H new ATOM 0 HB3 PHE A 41 12.064 -2.058 1.212 1.00 0.97 H new ATOM 0 HD1 PHE A 41 9.687 -4.812 0.248 1.00 2.91 H new ATOM 0 HD2 PHE A 41 12.229 -3.148 3.303 1.00 4.25 H new ATOM 0 HE1 PHE A 41 9.279 -6.801 1.681 1.00 4.50 H new ATOM 0 HE2 PHE A 41 11.799 -5.128 4.739 1.00 5.78 H new ATOM 0 HZ PHE A 41 10.336 -6.964 3.923 1.00 5.72 H new ATOM 422 N LEU A 42 9.400 -1.187 3.094 1.00 0.89 N ATOM 423 CA LEU A 42 8.578 -1.240 4.291 1.00 0.91 C ATOM 424 C LEU A 42 7.201 -0.639 4.036 1.00 0.81 C ATOM 425 O LEU A 42 6.192 -1.319 4.229 1.00 0.80 O ATOM 426 CB LEU A 42 9.335 -0.576 5.456 1.00 1.07 C ATOM 427 CG LEU A 42 8.469 -0.323 6.701 1.00 1.01 C ATOM 428 CD1 LEU A 42 7.859 -1.606 7.248 1.00 0.98 C ATOM 429 CD2 LEU A 42 9.306 0.302 7.805 1.00 1.20 C ATOM 0 H LEU A 42 10.243 -0.621 3.195 1.00 0.89 H new ATOM 0 HA LEU A 42 8.393 -2.277 4.573 1.00 0.91 H new ATOM 0 HB2 LEU A 42 10.178 -1.208 5.735 1.00 1.07 H new ATOM 0 HB3 LEU A 42 9.747 0.373 5.114 1.00 1.07 H new ATOM 0 HG LEU A 42 7.667 0.347 6.391 1.00 1.01 H new ATOM 0 HD11 LEU A 42 7.256 -1.376 8.127 1.00 0.98 H new ATOM 0 HD12 LEU A 42 7.229 -2.063 6.485 1.00 0.98 H new ATOM 0 HD13 LEU A 42 8.654 -2.298 7.524 1.00 0.98 H new ATOM 0 HD21 LEU A 42 8.681 0.476 8.681 1.00 1.20 H new ATOM 0 HD22 LEU A 42 10.121 -0.371 8.069 1.00 1.20 H new ATOM 0 HD23 LEU A 42 9.717 1.250 7.458 1.00 1.20 H new ATOM 441 N ARG A 43 7.133 0.592 3.521 1.00 0.81 N ATOM 442 CA ARG A 43 5.825 1.179 3.195 1.00 0.84 C ATOM 443 C ARG A 43 5.140 0.464 2.032 1.00 0.77 C ATOM 444 O ARG A 43 3.916 0.419 2.000 1.00 0.87 O ATOM 445 CB ARG A 43 5.907 2.702 3.051 1.00 1.12 C ATOM 446 CG ARG A 43 6.338 3.286 4.406 1.00 1.38 C ATOM 447 CD ARG A 43 6.153 4.805 4.460 1.00 2.08 C ATOM 448 NE ARG A 43 6.785 5.402 5.650 1.00 3.10 N ATOM 449 CZ ARG A 43 6.310 5.479 6.880 1.00 4.97 C ATOM 450 NH1 ARG A 43 5.158 4.983 7.232 1.00 6.28 N ATOM 451 NH2 ARG A 43 7.008 6.079 7.799 1.00 6.22 N ATOM 0 H ARG A 43 7.938 1.187 3.325 1.00 0.81 H new ATOM 0 HA ARG A 43 5.162 1.009 4.044 1.00 0.84 H new ATOM 0 HB2 ARG A 43 6.622 2.973 2.275 1.00 1.12 H new ATOM 0 HB3 ARG A 43 4.941 3.109 2.751 1.00 1.12 H new ATOM 0 HG2 ARG A 43 5.757 2.821 5.203 1.00 1.38 H new ATOM 0 HG3 ARG A 43 7.384 3.041 4.590 1.00 1.38 H new ATOM 0 HD2 ARG A 43 6.578 5.253 3.562 1.00 2.08 H new ATOM 0 HD3 ARG A 43 5.089 5.040 4.460 1.00 2.08 H new ATOM 0 HE ARG A 43 7.709 5.808 5.505 1.00 3.10 H new ATOM 0 HH11 ARG A 43 4.576 4.507 6.543 1.00 6.28 H new ATOM 0 HH12 ARG A 43 4.838 5.070 8.197 1.00 6.28 H new ATOM 0 HH21 ARG A 43 7.914 6.485 7.567 1.00 6.22 H new ATOM 0 HH22 ARG A 43 6.649 6.143 8.752 1.00 6.22 H new ATOM 465 N TYR A 44 5.900 -0.218 1.174 1.00 0.71 N ATOM 466 CA TYR A 44 5.361 -1.051 0.089 1.00 0.76 C ATOM 467 C TYR A 44 4.566 -2.248 0.631 1.00 0.78 C ATOM 468 O TYR A 44 3.445 -2.480 0.170 1.00 0.90 O ATOM 469 CB TYR A 44 6.493 -1.461 -0.866 1.00 0.83 C ATOM 470 CG TYR A 44 6.133 -2.369 -2.024 1.00 0.97 C ATOM 471 CD1 TYR A 44 6.148 -3.766 -1.854 1.00 2.02 C ATOM 472 CD2 TYR A 44 5.912 -1.822 -3.298 1.00 1.96 C ATOM 473 CE1 TYR A 44 5.965 -4.615 -2.964 1.00 2.13 C ATOM 474 CE2 TYR A 44 5.716 -2.666 -4.410 1.00 2.15 C ATOM 475 CZ TYR A 44 5.769 -4.069 -4.250 1.00 1.49 C ATOM 476 OH TYR A 44 5.686 -4.892 -5.329 1.00 1.84 O ATOM 0 H TYR A 44 6.919 -0.210 1.210 1.00 0.71 H new ATOM 0 HA TYR A 44 4.644 -0.464 -0.485 1.00 0.76 H new ATOM 0 HB2 TYR A 44 6.934 -0.552 -1.275 1.00 0.83 H new ATOM 0 HB3 TYR A 44 7.267 -1.955 -0.279 1.00 0.83 H new ATOM 0 HD1 TYR A 44 6.300 -4.188 -0.872 1.00 2.02 H new ATOM 0 HD2 TYR A 44 5.892 -0.750 -3.427 1.00 1.96 H new ATOM 0 HE1 TYR A 44 5.975 -5.687 -2.830 1.00 2.13 H new ATOM 0 HE2 TYR A 44 5.525 -2.240 -5.384 1.00 2.15 H new ATOM 0 HH TYR A 44 5.549 -4.357 -6.139 1.00 1.84 H new ATOM 486 N LYS A 45 5.070 -2.949 1.662 1.00 0.75 N ATOM 487 CA LYS A 45 4.282 -3.994 2.346 1.00 0.80 C ATOM 488 C LYS A 45 3.240 -3.448 3.332 1.00 0.86 C ATOM 489 O LYS A 45 2.180 -4.055 3.467 1.00 0.94 O ATOM 490 CB LYS A 45 5.175 -5.096 2.936 1.00 0.96 C ATOM 491 CG LYS A 45 6.039 -4.690 4.139 1.00 2.07 C ATOM 492 CD LYS A 45 6.802 -5.902 4.703 1.00 1.80 C ATOM 493 CE LYS A 45 5.882 -6.895 5.435 1.00 2.93 C ATOM 494 NZ LYS A 45 6.528 -8.219 5.572 1.00 2.89 N ATOM 0 H LYS A 45 6.009 -2.815 2.038 1.00 0.75 H new ATOM 0 HA LYS A 45 3.682 -4.470 1.571 1.00 0.80 H new ATOM 0 HB2 LYS A 45 4.540 -5.930 3.235 1.00 0.96 H new ATOM 0 HB3 LYS A 45 5.833 -5.463 2.149 1.00 0.96 H new ATOM 0 HG2 LYS A 45 6.747 -3.917 3.839 1.00 2.07 H new ATOM 0 HG3 LYS A 45 5.408 -4.259 4.916 1.00 2.07 H new ATOM 0 HD2 LYS A 45 7.311 -6.417 3.888 1.00 1.80 H new ATOM 0 HD3 LYS A 45 7.573 -5.553 5.390 1.00 1.80 H new ATOM 0 HE2 LYS A 45 5.633 -6.505 6.422 1.00 2.93 H new ATOM 0 HE3 LYS A 45 4.945 -6.999 4.887 1.00 2.93 H new ATOM 0 HZ1 LYS A 45 5.886 -8.869 6.069 1.00 2.89 H new ATOM 0 HZ2 LYS A 45 6.743 -8.599 4.628 1.00 2.89 H new ATOM 0 HZ3 LYS A 45 7.409 -8.121 6.115 1.00 2.89 H new ATOM 508 N ASN A 46 3.451 -2.272 3.936 1.00 0.86 N ATOM 509 CA ASN A 46 2.411 -1.605 4.741 1.00 0.93 C ATOM 510 C ASN A 46 1.166 -1.276 3.886 1.00 0.97 C ATOM 511 O ASN A 46 0.041 -1.446 4.360 1.00 1.05 O ATOM 512 CB ASN A 46 2.946 -0.323 5.406 1.00 0.96 C ATOM 513 CG ASN A 46 4.128 -0.478 6.355 1.00 0.95 C ATOM 514 OD1 ASN A 46 4.481 -1.552 6.837 1.00 0.96 O ATOM 515 ND2 ASN A 46 4.760 0.629 6.672 1.00 1.00 N ATOM 0 H ASN A 46 4.332 -1.760 3.885 1.00 0.86 H new ATOM 0 HA ASN A 46 2.120 -2.303 5.526 1.00 0.93 H new ATOM 0 HB2 ASN A 46 3.233 0.373 4.618 1.00 0.96 H new ATOM 0 HB3 ASN A 46 2.127 0.140 5.957 1.00 0.96 H new ATOM 0 HD21 ASN A 46 5.547 0.599 7.320 1.00 1.00 H new ATOM 0 HD22 ASN A 46 4.464 1.518 6.270 1.00 1.00 H new ATOM 522 N CYS A 47 1.346 -0.889 2.610 1.00 0.96 N ATOM 523 CA CYS A 47 0.239 -0.717 1.662 1.00 1.04 C ATOM 524 C CYS A 47 -0.601 -1.992 1.551 1.00 1.13 C ATOM 525 O CYS A 47 -1.825 -1.950 1.700 1.00 1.37 O ATOM 526 CB CYS A 47 0.755 -0.336 0.261 1.00 1.11 C ATOM 527 SG CYS A 47 1.658 1.224 0.118 1.00 1.46 S ATOM 0 H CYS A 47 2.263 -0.688 2.211 1.00 0.96 H new ATOM 0 HA CYS A 47 -0.382 0.091 2.048 1.00 1.04 H new ATOM 0 HB2 CYS A 47 1.405 -1.137 -0.091 1.00 1.11 H new ATOM 0 HB3 CYS A 47 -0.098 -0.297 -0.416 1.00 1.11 H new ATOM 532 N ARG A 48 0.060 -3.138 1.341 1.00 1.00 N ATOM 533 CA ARG A 48 -0.619 -4.429 1.222 1.00 1.02 C ATOM 534 C ARG A 48 -1.303 -4.834 2.525 1.00 0.94 C ATOM 535 O ARG A 48 -2.478 -5.194 2.465 1.00 0.91 O ATOM 536 CB ARG A 48 0.342 -5.500 0.677 1.00 1.15 C ATOM 537 CG ARG A 48 0.897 -5.073 -0.697 1.00 1.07 C ATOM 538 CD ARG A 48 1.004 -6.215 -1.713 1.00 1.65 C ATOM 539 NE ARG A 48 2.343 -6.828 -1.799 1.00 2.37 N ATOM 540 CZ ARG A 48 2.726 -7.708 -2.709 1.00 3.30 C ATOM 541 NH1 ARG A 48 1.930 -8.160 -3.631 1.00 3.88 N ATOM 542 NH2 ARG A 48 3.942 -8.153 -2.723 1.00 4.14 N ATOM 0 H ARG A 48 1.074 -3.194 1.250 1.00 1.00 H new ATOM 0 HA ARG A 48 -1.423 -4.329 0.493 1.00 1.02 H new ATOM 0 HB2 ARG A 48 1.163 -5.651 1.377 1.00 1.15 H new ATOM 0 HB3 ARG A 48 -0.179 -6.453 0.586 1.00 1.15 H new ATOM 0 HG2 ARG A 48 0.256 -4.294 -1.109 1.00 1.07 H new ATOM 0 HG3 ARG A 48 1.884 -4.633 -0.557 1.00 1.07 H new ATOM 0 HD2 ARG A 48 0.280 -6.987 -1.452 1.00 1.65 H new ATOM 0 HD3 ARG A 48 0.726 -5.837 -2.697 1.00 1.65 H new ATOM 0 HE ARG A 48 3.030 -6.550 -1.099 1.00 2.37 H new ATOM 0 HH11 ARG A 48 0.964 -7.836 -3.674 1.00 3.88 H new ATOM 0 HH12 ARG A 48 2.271 -8.839 -4.312 1.00 3.88 H new ATOM 0 HH21 ARG A 48 4.613 -7.825 -2.028 1.00 4.14 H new ATOM 0 HH22 ARG A 48 4.229 -8.832 -3.429 1.00 4.14 H new ATOM 556 N ARG A 49 -0.654 -4.675 3.688 1.00 0.92 N ATOM 557 CA ARG A 49 -1.237 -4.984 5.008 1.00 0.86 C ATOM 558 C ARG A 49 -2.522 -4.208 5.284 1.00 0.73 C ATOM 559 O ARG A 49 -3.519 -4.837 5.641 1.00 0.64 O ATOM 560 CB ARG A 49 -0.204 -4.747 6.130 1.00 0.94 C ATOM 561 CG ARG A 49 -0.737 -5.226 7.499 1.00 0.92 C ATOM 562 CD ARG A 49 0.140 -4.826 8.688 1.00 1.27 C ATOM 563 NE ARG A 49 1.450 -5.493 8.654 1.00 1.60 N ATOM 564 CZ ARG A 49 2.607 -4.955 8.317 1.00 2.55 C ATOM 565 NH1 ARG A 49 2.743 -3.708 7.968 1.00 3.46 N ATOM 566 NH2 ARG A 49 3.675 -5.688 8.311 1.00 3.72 N ATOM 0 H ARG A 49 0.302 -4.324 3.742 1.00 0.92 H new ATOM 0 HA ARG A 49 -1.507 -6.040 4.992 1.00 0.86 H new ATOM 0 HB2 ARG A 49 0.720 -5.275 5.893 1.00 0.94 H new ATOM 0 HB3 ARG A 49 0.040 -3.686 6.184 1.00 0.94 H new ATOM 0 HG2 ARG A 49 -1.738 -4.822 7.648 1.00 0.92 H new ATOM 0 HG3 ARG A 49 -0.831 -6.312 7.480 1.00 0.92 H new ATOM 0 HD2 ARG A 49 0.283 -3.745 8.686 1.00 1.27 H new ATOM 0 HD3 ARG A 49 -0.371 -5.078 9.617 1.00 1.27 H new ATOM 0 HE ARG A 49 1.466 -6.478 8.920 1.00 1.60 H new ATOM 0 HH11 ARG A 49 1.929 -3.093 7.945 1.00 3.46 H new ATOM 0 HH12 ARG A 49 3.663 -3.346 7.717 1.00 3.46 H new ATOM 0 HH21 ARG A 49 3.618 -6.674 8.566 1.00 3.72 H new ATOM 0 HH22 ARG A 49 4.573 -5.279 8.052 1.00 3.72 H new ATOM 580 N PHE A 50 -2.522 -2.885 5.099 1.00 0.77 N ATOM 581 CA PHE A 50 -3.698 -2.053 5.384 1.00 0.71 C ATOM 582 C PHE A 50 -4.913 -2.505 4.575 1.00 0.64 C ATOM 583 O PHE A 50 -5.971 -2.842 5.112 1.00 0.57 O ATOM 584 CB PHE A 50 -3.394 -0.589 5.049 1.00 0.75 C ATOM 585 CG PHE A 50 -4.569 0.329 5.341 1.00 0.68 C ATOM 586 CD1 PHE A 50 -4.890 0.669 6.669 1.00 2.00 C ATOM 587 CD2 PHE A 50 -5.390 0.782 4.290 1.00 1.57 C ATOM 588 CE1 PHE A 50 -6.020 1.463 6.940 1.00 1.99 C ATOM 589 CE2 PHE A 50 -6.522 1.568 4.560 1.00 1.56 C ATOM 590 CZ PHE A 50 -6.838 1.910 5.886 1.00 0.62 C ATOM 0 H PHE A 50 -1.717 -2.364 4.751 1.00 0.77 H new ATOM 0 HA PHE A 50 -3.928 -2.158 6.444 1.00 0.71 H new ATOM 0 HB2 PHE A 50 -2.528 -0.260 5.624 1.00 0.75 H new ATOM 0 HB3 PHE A 50 -3.127 -0.508 3.995 1.00 0.75 H new ATOM 0 HD1 PHE A 50 -4.269 0.320 7.480 1.00 2.00 H new ATOM 0 HD2 PHE A 50 -5.147 0.523 3.270 1.00 1.57 H new ATOM 0 HE1 PHE A 50 -6.260 1.730 7.959 1.00 1.99 H new ATOM 0 HE2 PHE A 50 -7.149 1.909 3.750 1.00 1.56 H new ATOM 0 HZ PHE A 50 -7.708 2.515 6.096 1.00 0.62 H new ATOM 600 N TRP A 51 -4.733 -2.565 3.259 1.00 0.69 N ATOM 601 CA TRP A 51 -5.831 -2.916 2.367 1.00 0.66 C ATOM 602 C TRP A 51 -6.232 -4.401 2.494 1.00 0.64 C ATOM 603 O TRP A 51 -7.414 -4.706 2.360 1.00 0.55 O ATOM 604 CB TRP A 51 -5.512 -2.417 0.953 1.00 0.71 C ATOM 605 CG TRP A 51 -5.510 -0.910 0.802 1.00 0.72 C ATOM 606 CD1 TRP A 51 -4.415 -0.116 0.691 1.00 0.83 C ATOM 607 CD2 TRP A 51 -6.649 0.020 0.806 1.00 0.65 C ATOM 608 NE1 TRP A 51 -4.796 1.197 0.510 1.00 0.82 N ATOM 609 CE2 TRP A 51 -6.152 1.348 0.632 1.00 0.71 C ATOM 610 CE3 TRP A 51 -8.048 -0.103 0.980 1.00 0.56 C ATOM 611 CZ2 TRP A 51 -6.972 2.482 0.632 1.00 0.69 C ATOM 612 CZ3 TRP A 51 -8.886 1.035 1.001 1.00 0.56 C ATOM 613 CH2 TRP A 51 -8.350 2.327 0.838 1.00 0.62 C ATOM 0 H TRP A 51 -3.846 -2.377 2.791 1.00 0.69 H new ATOM 0 HA TRP A 51 -6.744 -2.401 2.664 1.00 0.66 H new ATOM 0 HB2 TRP A 51 -4.535 -2.800 0.659 1.00 0.71 H new ATOM 0 HB3 TRP A 51 -6.241 -2.838 0.260 1.00 0.71 H new ATOM 0 HD1 TRP A 51 -3.393 -0.462 0.738 1.00 0.83 H new ATOM 0 HE1 TRP A 51 -4.149 1.960 0.310 1.00 0.82 H new ATOM 0 HE3 TRP A 51 -8.483 -1.084 1.099 1.00 0.56 H new ATOM 0 HZ2 TRP A 51 -6.549 3.463 0.475 1.00 0.69 H new ATOM 0 HZ3 TRP A 51 -9.949 0.912 1.144 1.00 0.56 H new ATOM 0 HH2 TRP A 51 -8.996 3.192 0.871 1.00 0.62 H new ATOM 624 N ASN A 52 -5.331 -5.305 2.911 1.00 0.74 N ATOM 625 CA ASN A 52 -5.662 -6.677 3.318 1.00 0.75 C ATOM 626 C ASN A 52 -6.536 -6.723 4.586 1.00 0.67 C ATOM 627 O ASN A 52 -7.455 -7.544 4.660 1.00 0.64 O ATOM 628 CB ASN A 52 -4.349 -7.458 3.528 1.00 0.89 C ATOM 629 CG ASN A 52 -3.757 -8.054 2.262 1.00 1.12 C ATOM 630 OD1 ASN A 52 -4.340 -8.034 1.184 1.00 1.44 O ATOM 631 ND2 ASN A 52 -2.566 -8.590 2.342 1.00 1.40 N ATOM 0 H ASN A 52 -4.334 -5.097 2.975 1.00 0.74 H new ATOM 0 HA ASN A 52 -6.253 -7.138 2.527 1.00 0.75 H new ATOM 0 HB2 ASN A 52 -3.613 -6.791 3.978 1.00 0.89 H new ATOM 0 HB3 ASN A 52 -4.530 -8.262 4.242 1.00 0.89 H new ATOM 0 HD21 ASN A 52 -2.129 -8.988 1.511 1.00 1.40 H new ATOM 0 HD22 ASN A 52 -2.075 -8.610 3.236 1.00 1.40 H new ATOM 638 N SER A 53 -6.303 -5.828 5.554 1.00 0.68 N ATOM 639 CA SER A 53 -7.186 -5.663 6.718 1.00 0.65 C ATOM 640 C SER A 53 -8.573 -5.177 6.286 1.00 0.53 C ATOM 641 O SER A 53 -9.577 -5.751 6.705 1.00 0.53 O ATOM 642 CB SER A 53 -6.591 -4.693 7.751 1.00 0.72 C ATOM 643 OG SER A 53 -5.301 -5.115 8.160 1.00 1.17 O ATOM 0 H SER A 53 -5.500 -5.199 5.554 1.00 0.68 H new ATOM 0 HA SER A 53 -7.282 -6.642 7.188 1.00 0.65 H new ATOM 0 HB2 SER A 53 -6.532 -3.692 7.323 1.00 0.72 H new ATOM 0 HB3 SER A 53 -7.249 -4.631 8.618 1.00 0.72 H new ATOM 0 HG SER A 53 -4.674 -5.023 7.412 1.00 1.17 H new ATOM 649 N ILE A 54 -8.658 -4.200 5.371 1.00 0.46 N ATOM 650 CA ILE A 54 -9.953 -3.733 4.841 1.00 0.40 C ATOM 651 C ILE A 54 -10.698 -4.861 4.108 1.00 0.38 C ATOM 652 O ILE A 54 -11.905 -5.018 4.296 1.00 0.41 O ATOM 653 CB ILE A 54 -9.754 -2.479 3.960 1.00 0.43 C ATOM 654 CG1 ILE A 54 -9.141 -1.303 4.757 1.00 0.49 C ATOM 655 CG2 ILE A 54 -11.062 -2.035 3.281 1.00 0.45 C ATOM 656 CD1 ILE A 54 -9.967 -0.808 5.956 1.00 0.53 C ATOM 0 H ILE A 54 -7.848 -3.717 4.982 1.00 0.46 H new ATOM 0 HA ILE A 54 -10.588 -3.443 5.678 1.00 0.40 H new ATOM 0 HB ILE A 54 -9.049 -2.766 3.180 1.00 0.43 H new ATOM 0 HG12 ILE A 54 -8.158 -1.606 5.117 1.00 0.49 H new ATOM 0 HG13 ILE A 54 -8.988 -0.467 4.075 1.00 0.49 H new ATOM 0 HG21 ILE A 54 -10.874 -1.151 2.672 1.00 0.45 H new ATOM 0 HG22 ILE A 54 -11.434 -2.840 2.647 1.00 0.45 H new ATOM 0 HG23 ILE A 54 -11.806 -1.800 4.042 1.00 0.45 H new ATOM 0 HD11 ILE A 54 -9.445 0.017 6.442 1.00 0.53 H new ATOM 0 HD12 ILE A 54 -10.942 -0.466 5.610 1.00 0.53 H new ATOM 0 HD13 ILE A 54 -10.100 -1.623 6.668 1.00 0.53 H new ATOM 668 N VAL A 55 -9.983 -5.705 3.359 1.00 0.42 N ATOM 669 CA VAL A 55 -10.530 -6.923 2.738 1.00 0.45 C ATOM 670 C VAL A 55 -11.099 -7.879 3.789 1.00 0.48 C ATOM 671 O VAL A 55 -12.242 -8.301 3.634 1.00 0.50 O ATOM 672 CB VAL A 55 -9.464 -7.594 1.848 1.00 0.54 C ATOM 673 CG1 VAL A 55 -9.802 -9.027 1.418 1.00 0.61 C ATOM 674 CG2 VAL A 55 -9.271 -6.756 0.583 1.00 0.59 C ATOM 0 H VAL A 55 -8.992 -5.563 3.162 1.00 0.42 H new ATOM 0 HA VAL A 55 -11.365 -6.642 2.096 1.00 0.45 H new ATOM 0 HB VAL A 55 -8.562 -7.650 2.457 1.00 0.54 H new ATOM 0 HG11 VAL A 55 -8.998 -9.419 0.796 1.00 0.61 H new ATOM 0 HG12 VAL A 55 -9.916 -9.655 2.302 1.00 0.61 H new ATOM 0 HG13 VAL A 55 -10.733 -9.027 0.850 1.00 0.61 H new ATOM 0 HG21 VAL A 55 -8.519 -7.224 -0.052 1.00 0.59 H new ATOM 0 HG22 VAL A 55 -10.215 -6.693 0.041 1.00 0.59 H new ATOM 0 HG23 VAL A 55 -8.942 -5.754 0.857 1.00 0.59 H new ATOM 684 N MET A 56 -10.400 -8.161 4.896 1.00 0.56 N ATOM 685 CA MET A 56 -10.963 -8.991 5.983 1.00 0.67 C ATOM 686 C MET A 56 -12.208 -8.360 6.638 1.00 0.71 C ATOM 687 O MET A 56 -13.187 -9.059 6.919 1.00 0.82 O ATOM 688 CB MET A 56 -9.910 -9.268 7.069 1.00 0.81 C ATOM 689 CG MET A 56 -8.759 -10.132 6.547 1.00 0.84 C ATOM 690 SD MET A 56 -7.589 -10.697 7.809 1.00 2.55 S ATOM 691 CE MET A 56 -8.516 -12.098 8.494 1.00 3.03 C ATOM 0 H MET A 56 -9.450 -7.832 5.067 1.00 0.56 H new ATOM 0 HA MET A 56 -11.268 -9.926 5.514 1.00 0.67 H new ATOM 0 HB2 MET A 56 -9.514 -8.322 7.439 1.00 0.81 H new ATOM 0 HB3 MET A 56 -10.384 -9.768 7.914 1.00 0.81 H new ATOM 0 HG2 MET A 56 -9.178 -11.004 6.046 1.00 0.84 H new ATOM 0 HG3 MET A 56 -8.212 -9.565 5.794 1.00 0.84 H new ATOM 0 HE1 MET A 56 -7.935 -12.564 9.290 1.00 3.03 H new ATOM 0 HE2 MET A 56 -9.465 -11.744 8.897 1.00 3.03 H new ATOM 0 HE3 MET A 56 -8.705 -12.828 7.707 1.00 3.03 H new ATOM 701 N GLN A 57 -12.193 -7.039 6.830 1.00 0.63 N ATOM 702 CA GLN A 57 -13.266 -6.238 7.438 1.00 0.67 C ATOM 703 C GLN A 57 -14.484 -6.062 6.510 1.00 0.70 C ATOM 704 O GLN A 57 -15.586 -5.769 6.983 1.00 0.91 O ATOM 705 CB GLN A 57 -12.708 -4.863 7.869 1.00 0.61 C ATOM 706 CG GLN A 57 -12.151 -4.770 9.301 1.00 1.02 C ATOM 707 CD GLN A 57 -10.813 -5.463 9.552 1.00 1.21 C ATOM 708 OE1 GLN A 57 -9.768 -4.828 9.639 1.00 3.16 O ATOM 709 NE2 GLN A 57 -10.791 -6.762 9.759 1.00 1.19 N ATOM 0 H GLN A 57 -11.395 -6.468 6.553 1.00 0.63 H new ATOM 0 HA GLN A 57 -13.623 -6.783 8.312 1.00 0.67 H new ATOM 0 HB2 GLN A 57 -11.915 -4.583 7.175 1.00 0.61 H new ATOM 0 HB3 GLN A 57 -13.501 -4.123 7.762 1.00 0.61 H new ATOM 0 HG2 GLN A 57 -12.045 -3.716 9.559 1.00 1.02 H new ATOM 0 HG3 GLN A 57 -12.889 -5.192 9.983 1.00 1.02 H new ATOM 0 HE21 GLN A 57 -11.652 -7.304 9.690 1.00 1.19 H new ATOM 0 HE22 GLN A 57 -9.913 -7.227 9.988 1.00 1.19 H new ATOM 718 N ARG A 58 -14.318 -6.259 5.197 1.00 0.58 N ATOM 719 CA ARG A 58 -15.407 -6.480 4.229 1.00 0.63 C ATOM 720 C ARG A 58 -15.882 -7.932 4.233 1.00 0.66 C ATOM 721 O ARG A 58 -17.077 -8.219 4.327 1.00 0.77 O ATOM 722 CB ARG A 58 -14.924 -6.067 2.821 1.00 0.68 C ATOM 723 CG ARG A 58 -15.320 -4.653 2.380 1.00 1.16 C ATOM 724 CD ARG A 58 -14.969 -3.506 3.334 1.00 1.40 C ATOM 725 NE ARG A 58 -15.405 -2.227 2.740 1.00 1.22 N ATOM 726 CZ ARG A 58 -15.600 -1.067 3.340 1.00 1.82 C ATOM 727 NH1 ARG A 58 -15.415 -0.876 4.614 1.00 2.95 N ATOM 728 NH2 ARG A 58 -16.005 -0.036 2.658 1.00 1.79 N ATOM 0 H ARG A 58 -13.395 -6.270 4.762 1.00 0.58 H new ATOM 0 HA ARG A 58 -16.260 -5.866 4.519 1.00 0.63 H new ATOM 0 HB2 ARG A 58 -13.838 -6.149 2.789 1.00 0.68 H new ATOM 0 HB3 ARG A 58 -15.318 -6.779 2.096 1.00 0.68 H new ATOM 0 HG2 ARG A 58 -14.846 -4.452 1.419 1.00 1.16 H new ATOM 0 HG3 ARG A 58 -16.397 -4.639 2.214 1.00 1.16 H new ATOM 0 HD2 ARG A 58 -15.456 -3.657 4.298 1.00 1.40 H new ATOM 0 HD3 ARG A 58 -13.895 -3.487 3.519 1.00 1.40 H new ATOM 0 HE ARG A 58 -15.578 -2.241 1.735 1.00 1.22 H new ATOM 0 HH11 ARG A 58 -15.103 -1.646 5.205 1.00 2.95 H new ATOM 0 HH12 ARG A 58 -15.582 0.044 5.021 1.00 2.95 H new ATOM 0 HH21 ARG A 58 -16.173 -0.122 1.656 1.00 1.79 H new ATOM 0 HH22 ARG A 58 -16.154 0.858 3.126 1.00 1.79 H new ATOM 742 N ARG A 59 -14.939 -8.870 4.171 1.00 0.68 N ATOM 743 CA ARG A 59 -15.196 -10.294 3.882 1.00 0.82 C ATOM 744 C ARG A 59 -15.997 -11.010 4.970 1.00 0.97 C ATOM 745 O ARG A 59 -16.699 -11.974 4.655 1.00 1.11 O ATOM 746 CB ARG A 59 -13.876 -10.986 3.500 1.00 0.85 C ATOM 747 CG ARG A 59 -14.091 -12.439 3.059 1.00 1.03 C ATOM 748 CD ARG A 59 -12.893 -12.992 2.280 1.00 1.15 C ATOM 749 NE ARG A 59 -13.181 -14.365 1.828 1.00 1.74 N ATOM 750 CZ ARG A 59 -12.947 -14.882 0.638 1.00 2.58 C ATOM 751 NH1 ARG A 59 -12.142 -14.336 -0.230 1.00 2.83 N ATOM 752 NH2 ARG A 59 -13.566 -15.973 0.309 1.00 3.38 N ATOM 0 H ARG A 59 -13.951 -8.665 4.322 1.00 0.68 H new ATOM 0 HA ARG A 59 -15.861 -10.355 3.020 1.00 0.82 H new ATOM 0 HB2 ARG A 59 -13.396 -10.431 2.694 1.00 0.85 H new ATOM 0 HB3 ARG A 59 -13.196 -10.963 4.352 1.00 0.85 H new ATOM 0 HG2 ARG A 59 -14.269 -13.060 3.937 1.00 1.03 H new ATOM 0 HG3 ARG A 59 -14.985 -12.500 2.438 1.00 1.03 H new ATOM 0 HD2 ARG A 59 -12.680 -12.354 1.422 1.00 1.15 H new ATOM 0 HD3 ARG A 59 -12.004 -12.986 2.910 1.00 1.15 H new ATOM 0 HE ARG A 59 -13.610 -14.986 2.514 1.00 1.74 H new ATOM 0 HH11 ARG A 59 -11.658 -13.468 -0.001 1.00 2.83 H new ATOM 0 HH12 ARG A 59 -11.996 -14.777 -1.138 1.00 2.83 H new ATOM 0 HH21 ARG A 59 -14.215 -16.409 0.965 1.00 3.38 H new ATOM 0 HH22 ARG A 59 -13.404 -16.395 -0.605 1.00 3.38 H new ATOM 766 N LYS A 60 -16.063 -10.444 6.181 1.00 1.00 N ATOM 767 CA LYS A 60 -17.058 -10.798 7.211 1.00 1.26 C ATOM 768 C LYS A 60 -18.514 -10.866 6.706 1.00 1.38 C ATOM 769 O LYS A 60 -19.313 -11.614 7.263 1.00 1.58 O ATOM 770 CB LYS A 60 -16.920 -9.822 8.389 1.00 1.37 C ATOM 771 CG LYS A 60 -17.509 -8.424 8.146 1.00 1.38 C ATOM 772 CD LYS A 60 -17.285 -7.550 9.382 1.00 1.54 C ATOM 773 CE LYS A 60 -18.082 -6.245 9.296 1.00 1.69 C ATOM 774 NZ LYS A 60 -18.272 -5.668 10.647 1.00 2.15 N ATOM 0 H LYS A 60 -15.417 -9.714 6.482 1.00 1.00 H new ATOM 0 HA LYS A 60 -16.838 -11.817 7.528 1.00 1.26 H new ATOM 0 HB2 LYS A 60 -17.406 -10.258 9.262 1.00 1.37 H new ATOM 0 HB3 LYS A 60 -15.863 -9.717 8.633 1.00 1.37 H new ATOM 0 HG2 LYS A 60 -17.039 -7.967 7.275 1.00 1.38 H new ATOM 0 HG3 LYS A 60 -18.575 -8.500 7.930 1.00 1.38 H new ATOM 0 HD2 LYS A 60 -17.579 -8.100 10.276 1.00 1.54 H new ATOM 0 HD3 LYS A 60 -16.223 -7.324 9.482 1.00 1.54 H new ATOM 0 HE2 LYS A 60 -17.558 -5.532 8.659 1.00 1.69 H new ATOM 0 HE3 LYS A 60 -19.051 -6.433 8.834 1.00 1.69 H new ATOM 0 HZ1 LYS A 60 -18.814 -4.783 10.574 1.00 2.15 H new ATOM 0 HZ2 LYS A 60 -18.791 -6.344 11.243 1.00 2.15 H new ATOM 0 HZ3 LYS A 60 -17.344 -5.471 11.074 1.00 2.15 H new ATOM 788 N ASN A 61 -18.864 -10.123 5.647 1.00 1.34 N ATOM 789 CA ASN A 61 -20.193 -10.141 5.026 1.00 1.52 C ATOM 790 C ASN A 61 -20.348 -11.194 3.905 1.00 1.37 C ATOM 791 O ASN A 61 -21.464 -11.618 3.613 1.00 1.45 O ATOM 792 CB ASN A 61 -20.532 -8.728 4.539 1.00 1.77 C ATOM 793 CG ASN A 61 -20.593 -7.741 5.686 1.00 2.10 C ATOM 794 OD1 ASN A 61 -21.544 -7.697 6.455 1.00 2.33 O ATOM 795 ND2 ASN A 61 -19.550 -6.982 5.889 1.00 2.23 N ATOM 0 H ASN A 61 -18.217 -9.480 5.190 1.00 1.34 H new ATOM 0 HA ASN A 61 -20.910 -10.451 5.786 1.00 1.52 H new ATOM 0 HB2 ASN A 61 -19.783 -8.402 3.818 1.00 1.77 H new ATOM 0 HB3 ASN A 61 -21.490 -8.742 4.019 1.00 1.77 H new ATOM 0 HD21 ASN A 61 -19.527 -6.351 6.690 1.00 2.23 H new ATOM 0 HD22 ASN A 61 -18.759 -7.020 5.247 1.00 2.23 H new ATOM 802 N GLY A 62 -19.243 -11.626 3.282 1.00 1.22 N ATOM 803 CA GLY A 62 -19.170 -12.760 2.340 1.00 1.15 C ATOM 804 C GLY A 62 -19.821 -12.562 0.962 1.00 1.29 C ATOM 805 O GLY A 62 -19.905 -13.510 0.188 1.00 1.41 O ATOM 0 H GLY A 62 -18.337 -11.179 3.424 1.00 1.22 H new ATOM 0 HA2 GLY A 62 -18.119 -13.007 2.187 1.00 1.15 H new ATOM 0 HA3 GLY A 62 -19.635 -13.625 2.814 1.00 1.15 H new ATOM 809 N VAL A 63 -20.288 -11.348 0.656 1.00 1.38 N ATOM 810 CA VAL A 63 -21.377 -11.105 -0.324 1.00 1.62 C ATOM 811 C VAL A 63 -20.953 -10.385 -1.618 1.00 1.71 C ATOM 812 O VAL A 63 -21.571 -10.559 -2.672 1.00 1.94 O ATOM 813 CB VAL A 63 -22.512 -10.352 0.411 1.00 1.82 C ATOM 814 CG1 VAL A 63 -22.054 -9.008 1.005 1.00 1.85 C ATOM 815 CG2 VAL A 63 -23.747 -10.104 -0.457 1.00 2.12 C ATOM 0 H VAL A 63 -19.926 -10.493 1.079 1.00 1.38 H new ATOM 0 HA VAL A 63 -21.715 -12.076 -0.686 1.00 1.62 H new ATOM 0 HB VAL A 63 -22.788 -11.028 1.220 1.00 1.82 H new ATOM 0 HG11 VAL A 63 -22.893 -8.527 1.507 1.00 1.85 H new ATOM 0 HG12 VAL A 63 -21.253 -9.182 1.723 1.00 1.85 H new ATOM 0 HG13 VAL A 63 -21.691 -8.362 0.206 1.00 1.85 H new ATOM 0 HG21 VAL A 63 -24.500 -9.572 0.125 1.00 2.12 H new ATOM 0 HG22 VAL A 63 -23.468 -9.505 -1.324 1.00 2.12 H new ATOM 0 HG23 VAL A 63 -24.154 -11.058 -0.791 1.00 2.12 H new ATOM 825 N LYS A 64 -19.892 -9.581 -1.547 1.00 1.68 N ATOM 826 CA LYS A 64 -19.480 -8.570 -2.540 1.00 1.73 C ATOM 827 C LYS A 64 -18.084 -8.858 -3.117 1.00 1.66 C ATOM 828 O LYS A 64 -17.411 -9.753 -2.599 1.00 1.63 O ATOM 829 CB LYS A 64 -19.543 -7.191 -1.844 1.00 1.75 C ATOM 830 CG LYS A 64 -18.582 -7.063 -0.644 1.00 1.67 C ATOM 831 CD LYS A 64 -18.191 -5.604 -0.388 1.00 1.70 C ATOM 832 CE LYS A 64 -19.385 -4.756 0.069 1.00 1.73 C ATOM 833 NZ LYS A 64 -19.034 -3.322 0.114 1.00 2.30 N ATOM 0 H LYS A 64 -19.255 -9.614 -0.751 1.00 1.68 H new ATOM 0 HA LYS A 64 -20.153 -8.593 -3.397 1.00 1.73 H new ATOM 0 HB2 LYS A 64 -19.308 -6.414 -2.572 1.00 1.75 H new ATOM 0 HB3 LYS A 64 -20.563 -7.011 -1.504 1.00 1.75 H new ATOM 0 HG2 LYS A 64 -19.055 -7.475 0.247 1.00 1.67 H new ATOM 0 HG3 LYS A 64 -17.685 -7.653 -0.831 1.00 1.67 H new ATOM 0 HD2 LYS A 64 -17.409 -5.567 0.371 1.00 1.70 H new ATOM 0 HD3 LYS A 64 -17.771 -5.177 -1.299 1.00 1.70 H new ATOM 0 HE2 LYS A 64 -20.223 -4.907 -0.611 1.00 1.73 H new ATOM 0 HE3 LYS A 64 -19.712 -5.085 1.056 1.00 1.73 H new ATOM 0 HZ1 LYS A 64 -19.860 -2.772 0.426 1.00 2.30 H new ATOM 0 HZ2 LYS A 64 -18.249 -3.177 0.781 1.00 2.30 H new ATOM 0 HZ3 LYS A 64 -18.745 -3.005 -0.834 1.00 2.30 H new ATOM 847 N PRO A 65 -17.600 -8.097 -4.116 1.00 1.68 N ATOM 848 CA PRO A 65 -16.163 -7.947 -4.329 1.00 1.54 C ATOM 849 C PRO A 65 -15.506 -7.304 -3.095 1.00 1.33 C ATOM 850 O PRO A 65 -15.937 -6.252 -2.630 1.00 1.35 O ATOM 851 CB PRO A 65 -16.034 -7.070 -5.577 1.00 1.67 C ATOM 852 CG PRO A 65 -17.300 -6.214 -5.536 1.00 1.76 C ATOM 853 CD PRO A 65 -18.328 -7.224 -5.032 1.00 1.83 C ATOM 0 HA PRO A 65 -15.655 -8.901 -4.471 1.00 1.54 H new ATOM 0 HB2 PRO A 65 -15.133 -6.457 -5.547 1.00 1.67 H new ATOM 0 HB3 PRO A 65 -15.982 -7.669 -6.486 1.00 1.67 H new ATOM 0 HG2 PRO A 65 -17.198 -5.361 -4.865 1.00 1.76 H new ATOM 0 HG3 PRO A 65 -17.560 -5.818 -6.517 1.00 1.76 H new ATOM 0 HD2 PRO A 65 -19.153 -6.724 -4.525 1.00 1.83 H new ATOM 0 HD3 PRO A 65 -18.758 -7.792 -5.857 1.00 1.83 H new ATOM 861 N PHE A 66 -14.487 -7.951 -2.535 1.00 1.20 N ATOM 862 CA PHE A 66 -13.904 -7.570 -1.241 1.00 0.97 C ATOM 863 C PHE A 66 -12.857 -6.460 -1.336 1.00 0.80 C ATOM 864 O PHE A 66 -12.851 -5.554 -0.504 1.00 0.77 O ATOM 865 CB PHE A 66 -13.303 -8.805 -0.575 1.00 0.89 C ATOM 866 CG PHE A 66 -14.288 -9.940 -0.374 1.00 0.96 C ATOM 867 CD1 PHE A 66 -15.467 -9.734 0.367 1.00 1.69 C ATOM 868 CD2 PHE A 66 -14.046 -11.188 -0.974 1.00 2.17 C ATOM 869 CE1 PHE A 66 -16.399 -10.776 0.511 1.00 1.78 C ATOM 870 CE2 PHE A 66 -14.969 -12.236 -0.812 1.00 2.19 C ATOM 871 CZ PHE A 66 -16.143 -12.031 -0.068 1.00 1.14 C ATOM 0 H PHE A 66 -14.037 -8.759 -2.964 1.00 1.20 H new ATOM 0 HA PHE A 66 -14.716 -7.163 -0.638 1.00 0.97 H new ATOM 0 HB2 PHE A 66 -12.471 -9.163 -1.181 1.00 0.89 H new ATOM 0 HB3 PHE A 66 -12.892 -8.519 0.393 1.00 0.89 H new ATOM 0 HD1 PHE A 66 -15.656 -8.774 0.825 1.00 1.69 H new ATOM 0 HD2 PHE A 66 -13.151 -11.342 -1.559 1.00 2.17 H new ATOM 0 HE1 PHE A 66 -17.311 -10.613 1.066 1.00 1.78 H new ATOM 0 HE2 PHE A 66 -14.775 -13.200 -1.260 1.00 2.19 H new ATOM 0 HZ PHE A 66 -16.849 -12.838 0.059 1.00 1.14 H new ATOM 881 N MET A 67 -11.992 -6.517 -2.351 1.00 0.79 N ATOM 882 CA MET A 67 -11.145 -5.390 -2.752 1.00 0.76 C ATOM 883 C MET A 67 -12.021 -4.155 -3.069 1.00 0.77 C ATOM 884 O MET A 67 -12.802 -4.195 -4.028 1.00 0.86 O ATOM 885 CB MET A 67 -10.278 -5.776 -3.961 1.00 0.91 C ATOM 886 CG MET A 67 -9.013 -6.529 -3.536 1.00 0.91 C ATOM 887 SD MET A 67 -7.853 -5.547 -2.540 1.00 0.91 S ATOM 888 CE MET A 67 -6.571 -6.800 -2.289 1.00 0.96 C ATOM 0 H MET A 67 -11.858 -7.352 -2.922 1.00 0.79 H new ATOM 0 HA MET A 67 -10.479 -5.135 -1.928 1.00 0.76 H new ATOM 0 HB2 MET A 67 -10.860 -6.397 -4.642 1.00 0.91 H new ATOM 0 HB3 MET A 67 -9.999 -4.877 -4.510 1.00 0.91 H new ATOM 0 HG2 MET A 67 -9.304 -7.412 -2.967 1.00 0.91 H new ATOM 0 HG3 MET A 67 -8.497 -6.882 -4.429 1.00 0.91 H new ATOM 0 HE1 MET A 67 -5.763 -6.379 -1.691 1.00 0.96 H new ATOM 0 HE2 MET A 67 -6.998 -7.658 -1.770 1.00 0.96 H new ATOM 0 HE3 MET A 67 -6.179 -7.118 -3.255 1.00 0.96 H new ATOM 898 N PRO A 68 -11.921 -3.064 -2.278 1.00 0.72 N ATOM 899 CA PRO A 68 -12.885 -1.963 -2.290 1.00 0.74 C ATOM 900 C PRO A 68 -12.832 -1.119 -3.570 1.00 0.82 C ATOM 901 O PRO A 68 -11.835 -1.117 -4.301 1.00 0.90 O ATOM 902 CB PRO A 68 -12.582 -1.135 -1.035 1.00 0.76 C ATOM 903 CG PRO A 68 -11.100 -1.404 -0.788 1.00 0.71 C ATOM 904 CD PRO A 68 -10.955 -2.862 -1.207 1.00 0.69 C ATOM 0 HA PRO A 68 -13.904 -2.349 -2.281 1.00 0.74 H new ATOM 0 HB2 PRO A 68 -12.777 -0.075 -1.195 1.00 0.76 H new ATOM 0 HB3 PRO A 68 -13.194 -1.447 -0.189 1.00 0.76 H new ATOM 0 HG2 PRO A 68 -10.464 -0.746 -1.381 1.00 0.71 H new ATOM 0 HG3 PRO A 68 -10.829 -1.253 0.257 1.00 0.71 H new ATOM 0 HD2 PRO A 68 -9.942 -3.072 -1.549 1.00 0.69 H new ATOM 0 HD3 PRO A 68 -11.153 -3.531 -0.370 1.00 0.69 H new ATOM 912 N THR A 69 -13.915 -0.377 -3.816 1.00 0.92 N ATOM 913 CA THR A 69 -14.135 0.441 -5.018 1.00 1.01 C ATOM 914 C THR A 69 -13.751 1.906 -4.806 1.00 1.00 C ATOM 915 O THR A 69 -13.598 2.356 -3.674 1.00 0.94 O ATOM 916 CB THR A 69 -15.583 0.287 -5.518 1.00 1.09 C ATOM 917 OG1 THR A 69 -16.513 0.740 -4.554 1.00 1.11 O ATOM 918 CG2 THR A 69 -15.940 -1.167 -5.843 1.00 1.15 C ATOM 0 H THR A 69 -14.694 -0.326 -3.160 1.00 0.92 H new ATOM 0 HA THR A 69 -13.469 0.069 -5.797 1.00 1.01 H new ATOM 0 HB THR A 69 -15.640 0.890 -6.424 1.00 1.09 H new ATOM 0 HG1 THR A 69 -16.466 0.168 -3.760 1.00 1.11 H new ATOM 0 HG21 THR A 69 -16.972 -1.219 -6.191 1.00 1.15 H new ATOM 0 HG22 THR A 69 -15.275 -1.540 -6.622 1.00 1.15 H new ATOM 0 HG23 THR A 69 -15.828 -1.778 -4.947 1.00 1.15 H new ATOM 926 N ALA A 70 -13.539 2.661 -5.882 1.00 1.10 N ATOM 927 CA ALA A 70 -12.864 3.967 -5.863 1.00 1.14 C ATOM 928 C ALA A 70 -13.454 4.997 -4.873 1.00 1.13 C ATOM 929 O ALA A 70 -12.694 5.657 -4.153 1.00 1.12 O ATOM 930 CB ALA A 70 -12.836 4.510 -7.296 1.00 1.28 C ATOM 0 H ALA A 70 -13.837 2.379 -6.816 1.00 1.10 H new ATOM 0 HA ALA A 70 -11.854 3.805 -5.486 1.00 1.14 H new ATOM 0 HB1 ALA A 70 -12.339 5.480 -7.308 1.00 1.28 H new ATOM 0 HB2 ALA A 70 -12.293 3.816 -7.937 1.00 1.28 H new ATOM 0 HB3 ALA A 70 -13.856 4.620 -7.663 1.00 1.28 H new ATOM 936 N ALA A 71 -14.784 5.097 -4.777 1.00 1.17 N ATOM 937 CA ALA A 71 -15.468 5.960 -3.808 1.00 1.21 C ATOM 938 C ALA A 71 -15.310 5.477 -2.351 1.00 1.10 C ATOM 939 O ALA A 71 -15.242 6.292 -1.424 1.00 1.10 O ATOM 940 CB ALA A 71 -16.947 6.040 -4.201 1.00 1.33 C ATOM 0 H ALA A 71 -15.423 4.575 -5.377 1.00 1.17 H new ATOM 0 HA ALA A 71 -15.007 6.947 -3.840 1.00 1.21 H new ATOM 0 HB1 ALA A 71 -17.477 6.678 -3.494 1.00 1.33 H new ATOM 0 HB2 ALA A 71 -17.035 6.459 -5.204 1.00 1.33 H new ATOM 0 HB3 ALA A 71 -17.382 5.041 -4.186 1.00 1.33 H new ATOM 946 N GLU A 72 -15.206 4.163 -2.135 1.00 1.03 N ATOM 947 CA GLU A 72 -14.923 3.586 -0.829 1.00 0.97 C ATOM 948 C GLU A 72 -13.475 3.877 -0.450 1.00 0.88 C ATOM 949 O GLU A 72 -13.210 4.384 0.634 1.00 0.85 O ATOM 950 CB GLU A 72 -15.182 2.080 -0.811 1.00 0.98 C ATOM 951 CG GLU A 72 -16.617 1.732 -1.202 1.00 1.10 C ATOM 952 CD GLU A 72 -16.767 0.223 -1.112 1.00 1.44 C ATOM 953 OE1 GLU A 72 -17.083 -0.267 0.002 1.00 2.52 O ATOM 954 OE2 GLU A 72 -16.464 -0.480 -2.110 1.00 2.69 O ATOM 0 H GLU A 72 -15.318 3.468 -2.873 1.00 1.03 H new ATOM 0 HA GLU A 72 -15.593 4.042 -0.100 1.00 0.97 H new ATOM 0 HB2 GLU A 72 -14.492 1.587 -1.496 1.00 0.98 H new ATOM 0 HB3 GLU A 72 -14.975 1.690 0.186 1.00 0.98 H new ATOM 0 HG2 GLU A 72 -17.325 2.227 -0.538 1.00 1.10 H new ATOM 0 HG3 GLU A 72 -16.833 2.078 -2.213 1.00 1.10 H new ATOM 961 N ARG A 73 -12.533 3.632 -1.371 1.00 0.86 N ATOM 962 CA ARG A 73 -11.108 3.942 -1.179 1.00 0.81 C ATOM 963 C ARG A 73 -10.914 5.414 -0.784 1.00 0.86 C ATOM 964 O ARG A 73 -10.163 5.692 0.148 1.00 0.81 O ATOM 965 CB ARG A 73 -10.315 3.559 -2.445 1.00 0.85 C ATOM 966 CG ARG A 73 -10.379 2.048 -2.751 1.00 1.40 C ATOM 967 CD ARG A 73 -9.937 1.718 -4.186 1.00 1.73 C ATOM 968 NE ARG A 73 -8.511 1.368 -4.261 1.00 2.03 N ATOM 969 CZ ARG A 73 -7.984 0.174 -4.469 1.00 3.23 C ATOM 970 NH1 ARG A 73 -8.698 -0.909 -4.594 1.00 4.39 N ATOM 971 NH2 ARG A 73 -6.694 0.050 -4.561 1.00 3.93 N ATOM 0 H ARG A 73 -12.739 3.210 -2.277 1.00 0.86 H new ATOM 0 HA ARG A 73 -10.717 3.348 -0.353 1.00 0.81 H new ATOM 0 HB2 ARG A 73 -10.707 4.115 -3.297 1.00 0.85 H new ATOM 0 HB3 ARG A 73 -9.274 3.857 -2.321 1.00 0.85 H new ATOM 0 HG2 ARG A 73 -9.744 1.511 -2.046 1.00 1.40 H new ATOM 0 HG3 ARG A 73 -11.398 1.692 -2.597 1.00 1.40 H new ATOM 0 HD2 ARG A 73 -10.533 0.889 -4.566 1.00 1.73 H new ATOM 0 HD3 ARG A 73 -10.134 2.574 -4.831 1.00 1.73 H new ATOM 0 HE ARG A 73 -7.851 2.136 -4.138 1.00 2.03 H new ATOM 0 HH11 ARG A 73 -9.715 -0.859 -4.532 1.00 4.39 H new ATOM 0 HH12 ARG A 73 -8.240 -1.806 -4.754 1.00 4.39 H new ATOM 0 HH21 ARG A 73 -6.095 0.871 -4.473 1.00 3.93 H new ATOM 0 HH22 ARG A 73 -6.280 -0.868 -4.721 1.00 3.93 H new ATOM 985 N ASP A 74 -11.666 6.323 -1.409 1.00 0.96 N ATOM 986 CA ASP A 74 -11.737 7.745 -1.048 1.00 1.02 C ATOM 987 C ASP A 74 -12.282 7.994 0.377 1.00 0.98 C ATOM 988 O ASP A 74 -11.586 8.613 1.184 1.00 0.97 O ATOM 989 CB ASP A 74 -12.573 8.465 -2.115 1.00 1.13 C ATOM 990 CG ASP A 74 -12.713 9.969 -1.879 1.00 1.23 C ATOM 991 OD1 ASP A 74 -11.801 10.753 -2.236 1.00 1.83 O ATOM 992 OD2 ASP A 74 -13.769 10.399 -1.360 1.00 2.02 O ATOM 0 H ASP A 74 -12.260 6.085 -2.203 1.00 0.96 H new ATOM 0 HA ASP A 74 -10.725 8.148 -1.025 1.00 1.02 H new ATOM 0 HB2 ASP A 74 -12.118 8.301 -3.092 1.00 1.13 H new ATOM 0 HB3 ASP A 74 -13.567 8.018 -2.147 1.00 1.13 H new ATOM 997 N GLU A 75 -13.477 7.498 0.737 1.00 0.99 N ATOM 998 CA GLU A 75 -14.017 7.716 2.097 1.00 1.00 C ATOM 999 C GLU A 75 -13.139 7.091 3.203 1.00 0.92 C ATOM 1000 O GLU A 75 -13.020 7.651 4.298 1.00 0.97 O ATOM 1001 CB GLU A 75 -15.487 7.258 2.222 1.00 1.06 C ATOM 1002 CG GLU A 75 -15.689 5.736 2.245 1.00 1.04 C ATOM 1003 CD GLU A 75 -17.137 5.294 2.492 1.00 1.16 C ATOM 1004 OE1 GLU A 75 -18.023 5.606 1.657 1.00 1.89 O ATOM 1005 OE2 GLU A 75 -17.388 4.601 3.513 1.00 2.04 O ATOM 0 H GLU A 75 -14.081 6.953 0.122 1.00 0.99 H new ATOM 0 HA GLU A 75 -13.994 8.795 2.252 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -15.908 7.680 3.135 1.00 1.06 H new ATOM 0 HB3 GLU A 75 -16.054 7.673 1.389 1.00 1.06 H new ATOM 0 HG2 GLU A 75 -15.353 5.322 1.294 1.00 1.04 H new ATOM 0 HG3 GLU A 75 -15.054 5.309 3.021 1.00 1.04 H new ATOM 1012 N ILE A 76 -12.489 5.962 2.901 1.00 0.82 N ATOM 1013 CA ILE A 76 -11.610 5.211 3.804 1.00 0.73 C ATOM 1014 C ILE A 76 -10.318 5.991 4.055 1.00 0.73 C ATOM 1015 O ILE A 76 -9.945 6.202 5.209 1.00 0.75 O ATOM 1016 CB ILE A 76 -11.346 3.802 3.217 1.00 0.66 C ATOM 1017 CG1 ILE A 76 -12.626 2.937 3.305 1.00 0.68 C ATOM 1018 CG2 ILE A 76 -10.178 3.102 3.932 1.00 0.61 C ATOM 1019 CD1 ILE A 76 -12.661 1.762 2.318 1.00 0.68 C ATOM 0 H ILE A 76 -12.564 5.528 1.981 1.00 0.82 H new ATOM 0 HA ILE A 76 -12.094 5.080 4.772 1.00 0.73 H new ATOM 0 HB ILE A 76 -11.069 3.924 2.170 1.00 0.66 H new ATOM 0 HG12 ILE A 76 -12.719 2.548 4.319 1.00 0.68 H new ATOM 0 HG13 ILE A 76 -13.493 3.573 3.127 1.00 0.68 H new ATOM 0 HG21 ILE A 76 -10.022 2.116 3.494 1.00 0.61 H new ATOM 0 HG22 ILE A 76 -9.272 3.698 3.818 1.00 0.61 H new ATOM 0 HG23 ILE A 76 -10.411 2.995 4.991 1.00 0.61 H new ATOM 0 HD11 ILE A 76 -13.591 1.207 2.445 1.00 0.68 H new ATOM 0 HD12 ILE A 76 -12.602 2.142 1.298 1.00 0.68 H new ATOM 0 HD13 ILE A 76 -11.815 1.101 2.509 1.00 0.68 H new ATOM 1031 N LEU A 77 -9.654 6.472 3.000 1.00 0.75 N ATOM 1032 CA LEU A 77 -8.452 7.303 3.123 1.00 0.76 C ATOM 1033 C LEU A 77 -8.740 8.641 3.817 1.00 0.83 C ATOM 1034 O LEU A 77 -7.912 9.120 4.596 1.00 0.86 O ATOM 1035 CB LEU A 77 -7.874 7.533 1.725 1.00 0.80 C ATOM 1036 CG LEU A 77 -7.074 6.334 1.187 1.00 0.80 C ATOM 1037 CD1 LEU A 77 -6.836 6.571 -0.298 1.00 0.88 C ATOM 1038 CD2 LEU A 77 -5.722 6.147 1.889 1.00 0.83 C ATOM 0 H LEU A 77 -9.935 6.296 2.035 1.00 0.75 H new ATOM 0 HA LEU A 77 -7.729 6.780 3.749 1.00 0.76 H new ATOM 0 HB2 LEU A 77 -8.689 7.755 1.036 1.00 0.80 H new ATOM 0 HB3 LEU A 77 -7.228 8.410 1.748 1.00 0.80 H new ATOM 0 HG LEU A 77 -7.650 5.428 1.375 1.00 0.80 H new ATOM 0 HD11 LEU A 77 -6.270 5.737 -0.713 1.00 0.88 H new ATOM 0 HD12 LEU A 77 -7.794 6.651 -0.812 1.00 0.88 H new ATOM 0 HD13 LEU A 77 -6.274 7.495 -0.433 1.00 0.88 H new ATOM 0 HD21 LEU A 77 -5.207 5.285 1.464 1.00 0.83 H new ATOM 0 HD22 LEU A 77 -5.112 7.040 1.748 1.00 0.83 H new ATOM 0 HD23 LEU A 77 -5.885 5.983 2.954 1.00 0.83 H new ATOM 1050 N ARG A 78 -9.934 9.207 3.613 1.00 0.90 N ATOM 1051 CA ARG A 78 -10.424 10.362 4.392 1.00 1.01 C ATOM 1052 C ARG A 78 -10.628 10.022 5.874 1.00 1.02 C ATOM 1053 O ARG A 78 -10.289 10.832 6.735 1.00 1.11 O ATOM 1054 CB ARG A 78 -11.729 10.915 3.800 1.00 1.09 C ATOM 1055 CG ARG A 78 -11.535 11.639 2.465 1.00 1.13 C ATOM 1056 CD ARG A 78 -12.908 11.991 1.880 1.00 1.41 C ATOM 1057 NE ARG A 78 -12.813 12.280 0.447 1.00 2.11 N ATOM 1058 CZ ARG A 78 -12.604 13.423 -0.165 1.00 2.98 C ATOM 1059 NH1 ARG A 78 -12.521 14.569 0.440 1.00 3.55 N ATOM 1060 NH2 ARG A 78 -12.463 13.410 -1.452 1.00 4.14 N ATOM 0 H ARG A 78 -10.592 8.882 2.905 1.00 0.90 H new ATOM 0 HA ARG A 78 -9.650 11.127 4.329 1.00 1.01 H new ATOM 0 HB2 ARG A 78 -12.432 10.094 3.660 1.00 1.09 H new ATOM 0 HB3 ARG A 78 -12.180 11.603 4.515 1.00 1.09 H new ATOM 0 HG2 ARG A 78 -10.945 12.544 2.610 1.00 1.13 H new ATOM 0 HG3 ARG A 78 -10.982 11.006 1.771 1.00 1.13 H new ATOM 0 HD2 ARG A 78 -13.599 11.163 2.042 1.00 1.41 H new ATOM 0 HD3 ARG A 78 -13.318 12.856 2.402 1.00 1.41 H new ATOM 0 HE ARG A 78 -12.926 11.473 -0.167 1.00 2.11 H new ATOM 0 HH11 ARG A 78 -12.620 14.619 1.454 1.00 3.55 H new ATOM 0 HH12 ARG A 78 -12.357 15.419 -0.099 1.00 3.55 H new ATOM 0 HH21 ARG A 78 -12.515 12.528 -1.962 1.00 4.14 H new ATOM 0 HH22 ARG A 78 -12.300 14.282 -1.956 1.00 4.14 H new ATOM 1074 N ALA A 79 -11.103 8.812 6.172 1.00 0.96 N ATOM 1075 CA ALA A 79 -11.302 8.318 7.539 1.00 0.98 C ATOM 1076 C ALA A 79 -9.997 7.891 8.251 1.00 0.86 C ATOM 1077 O ALA A 79 -9.963 7.862 9.486 1.00 0.92 O ATOM 1078 CB ALA A 79 -12.337 7.189 7.496 1.00 1.04 C ATOM 0 H ALA A 79 -11.366 8.133 5.457 1.00 0.96 H new ATOM 0 HA ALA A 79 -11.673 9.143 8.148 1.00 0.98 H new ATOM 0 HB1 ALA A 79 -12.500 6.807 8.504 1.00 1.04 H new ATOM 0 HB2 ALA A 79 -13.276 7.571 7.096 1.00 1.04 H new ATOM 0 HB3 ALA A 79 -11.972 6.385 6.857 1.00 1.04 H new ATOM 1084 N VAL A 80 -8.915 7.607 7.510 1.00 0.79 N ATOM 1085 CA VAL A 80 -7.539 7.556 8.041 1.00 0.77 C ATOM 1086 C VAL A 80 -7.010 8.977 8.257 1.00 0.86 C ATOM 1087 O VAL A 80 -6.323 9.234 9.242 1.00 0.94 O ATOM 1088 CB VAL A 80 -6.608 6.781 7.084 1.00 0.70 C ATOM 1089 CG1 VAL A 80 -5.159 6.737 7.580 1.00 0.76 C ATOM 1090 CG2 VAL A 80 -7.057 5.327 6.920 1.00 0.67 C ATOM 0 H VAL A 80 -8.969 7.403 6.512 1.00 0.79 H new ATOM 0 HA VAL A 80 -7.557 7.032 8.996 1.00 0.77 H new ATOM 0 HB VAL A 80 -6.664 7.320 6.138 1.00 0.70 H new ATOM 0 HG11 VAL A 80 -4.548 6.180 6.870 1.00 0.76 H new ATOM 0 HG12 VAL A 80 -4.775 7.753 7.671 1.00 0.76 H new ATOM 0 HG13 VAL A 80 -5.122 6.247 8.553 1.00 0.76 H new ATOM 0 HG21 VAL A 80 -6.379 4.811 6.240 1.00 0.67 H new ATOM 0 HG22 VAL A 80 -7.044 4.831 7.890 1.00 0.67 H new ATOM 0 HG23 VAL A 80 -8.068 5.302 6.513 1.00 0.67 H new ATOM 1100 N GLY A 81 -7.321 9.897 7.340 1.00 0.90 N ATOM 1101 CA GLY A 81 -6.935 11.315 7.394 1.00 1.02 C ATOM 1102 C GLY A 81 -5.474 11.579 7.004 1.00 1.04 C ATOM 1103 O GLY A 81 -5.021 12.725 6.990 1.00 1.12 O ATOM 0 H GLY A 81 -7.868 9.670 6.509 1.00 0.90 H new ATOM 0 HA2 GLY A 81 -7.586 11.884 6.730 1.00 1.02 H new ATOM 0 HA3 GLY A 81 -7.104 11.689 8.404 1.00 1.02 H new ATOM 1107 N ASN A 82 -4.745 10.515 6.672 1.00 1.01 N ATOM 1108 CA ASN A 82 -3.370 10.512 6.181 1.00 1.00 C ATOM 1109 C ASN A 82 -3.163 9.289 5.258 1.00 0.94 C ATOM 1110 O ASN A 82 -4.109 8.545 4.978 1.00 0.88 O ATOM 1111 CB ASN A 82 -2.425 10.498 7.406 1.00 1.05 C ATOM 1112 CG ASN A 82 -0.971 10.805 7.076 1.00 1.14 C ATOM 1113 OD1 ASN A 82 -0.631 11.296 6.009 1.00 1.61 O ATOM 1114 ND2 ASN A 82 -0.064 10.482 7.960 1.00 1.62 N ATOM 0 H ASN A 82 -5.125 9.571 6.744 1.00 1.01 H new ATOM 0 HA ASN A 82 -3.150 11.401 5.589 1.00 1.00 H new ATOM 0 HB2 ASN A 82 -2.782 11.226 8.135 1.00 1.05 H new ATOM 0 HB3 ASN A 82 -2.479 9.519 7.881 1.00 1.05 H new ATOM 0 HD21 ASN A 82 0.923 10.640 7.759 1.00 1.62 H new ATOM 0 HD22 ASN A 82 -0.344 10.072 8.851 1.00 1.62 H new ATOM 1121 N MET A 83 -1.938 9.054 4.799 1.00 1.04 N ATOM 1122 CA MET A 83 -1.514 7.818 4.161 1.00 1.04 C ATOM 1123 C MET A 83 -1.364 6.718 5.236 1.00 1.03 C ATOM 1124 O MET A 83 -0.581 6.912 6.168 1.00 1.10 O ATOM 1125 CB MET A 83 -0.181 8.122 3.452 1.00 1.17 C ATOM 1126 CG MET A 83 0.207 7.097 2.389 1.00 1.25 C ATOM 1127 SD MET A 83 -0.333 7.480 0.695 1.00 1.31 S ATOM 1128 CE MET A 83 -2.108 7.135 0.785 1.00 1.12 C ATOM 0 H MET A 83 -1.190 9.744 4.864 1.00 1.04 H new ATOM 0 HA MET A 83 -2.239 7.455 3.433 1.00 1.04 H new ATOM 0 HB2 MET A 83 -0.245 9.106 2.987 1.00 1.17 H new ATOM 0 HB3 MET A 83 0.612 8.174 4.198 1.00 1.17 H new ATOM 0 HG2 MET A 83 1.292 6.991 2.390 1.00 1.25 H new ATOM 0 HG3 MET A 83 -0.208 6.130 2.674 1.00 1.25 H new ATOM 0 HE1 MET A 83 -2.527 7.119 -0.221 1.00 1.12 H new ATOM 0 HE2 MET A 83 -2.267 6.167 1.259 1.00 1.12 H new ATOM 0 HE3 MET A 83 -2.600 7.911 1.371 1.00 1.12 H new ATOM 1138 N PRO A 84 -2.046 5.554 5.146 1.00 1.03 N ATOM 1139 CA PRO A 84 -1.907 4.481 6.143 1.00 1.11 C ATOM 1140 C PRO A 84 -0.580 3.710 6.031 1.00 1.23 C ATOM 1141 O PRO A 84 -0.278 2.838 6.855 1.00 1.35 O ATOM 1142 CB PRO A 84 -3.122 3.574 5.927 1.00 1.15 C ATOM 1143 CG PRO A 84 -3.535 3.783 4.467 1.00 1.12 C ATOM 1144 CD PRO A 84 -3.014 5.185 4.123 1.00 1.04 C ATOM 0 HA PRO A 84 -1.878 4.893 7.152 1.00 1.11 H new ATOM 0 HB2 PRO A 84 -2.872 2.531 6.118 1.00 1.15 H new ATOM 0 HB3 PRO A 84 -3.933 3.837 6.606 1.00 1.15 H new ATOM 0 HG2 PRO A 84 -3.097 3.025 3.817 1.00 1.12 H new ATOM 0 HG3 PRO A 84 -4.616 3.720 4.346 1.00 1.12 H new ATOM 0 HD2 PRO A 84 -2.551 5.191 3.136 1.00 1.04 H new ATOM 0 HD3 PRO A 84 -3.834 5.903 4.094 1.00 1.04 H new ATOM 1152 N TYR A 85 0.192 4.033 4.989 1.00 1.24 N ATOM 1153 CA TYR A 85 1.414 3.355 4.564 1.00 1.42 C ATOM 1154 C TYR A 85 2.613 3.790 5.414 1.00 1.80 C ATOM 1155 O TYR A 85 3.296 2.920 5.991 1.00 3.10 O ATOM 1156 CB TYR A 85 1.618 3.639 3.063 1.00 1.29 C ATOM 1157 CG TYR A 85 0.418 3.490 2.124 1.00 1.41 C ATOM 1158 CD1 TYR A 85 -0.670 2.638 2.413 1.00 2.63 C ATOM 1159 CD2 TYR A 85 0.405 4.216 0.916 1.00 1.70 C ATOM 1160 CE1 TYR A 85 -1.747 2.523 1.507 1.00 2.95 C ATOM 1161 CE2 TYR A 85 -0.654 4.086 -0.002 1.00 1.83 C ATOM 1162 CZ TYR A 85 -1.730 3.227 0.284 1.00 2.06 C ATOM 1163 OH TYR A 85 -2.744 3.085 -0.614 1.00 2.48 O ATOM 0 H TYR A 85 -0.036 4.823 4.385 1.00 1.24 H new ATOM 0 HA TYR A 85 1.324 2.279 4.712 1.00 1.42 H new ATOM 0 HB2 TYR A 85 1.991 4.659 2.966 1.00 1.29 H new ATOM 0 HB3 TYR A 85 2.405 2.976 2.704 1.00 1.29 H new ATOM 0 HD1 TYR A 85 -0.679 2.071 3.332 1.00 2.63 H new ATOM 0 HD2 TYR A 85 1.223 4.884 0.691 1.00 1.70 H new ATOM 0 HE1 TYR A 85 -2.589 1.892 1.752 1.00 2.95 H new ATOM 0 HE2 TYR A 85 -0.640 4.646 -0.926 1.00 1.83 H new ATOM 0 HH TYR A 85 -2.567 3.645 -1.399 1.00 2.48 H new TER 1173 TYR A 85