USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 681 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 10 ASN : amide:sc= -1.71 K(o=-3.4,f=-1.1) USER MOD Set 1.2: A 46 HIS : no HD1:sc= -1.71 K(o=-3.4,f=-1.1) USER MOD Set 2.1: A 13 LYS NZ :NH3+ -149:sc= -0.228 (180deg=-1) USER MOD Set 2.2: A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000851) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.017) USER MOD Single : A 37 TYR OH : rot 5:sc= -2.16 USER MOD Single : A 38 GLN : amide:sc= -0.756 K(o=-0.76,f=-0.22) USER MOD Single : A 39 HIS : no HD1:sc=-0.00328 X(o=-0.0033,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.0139 K(o=-0.014,f=-0.73) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 150:sc= 0.131 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.106 K(o=-0.11,f=-2.3!) USER MOD Single : A 60 SER OG : rot -40:sc= 0.84 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 77:sc= -0.496 USER MOD Single : A 66 THR OG1 : rot 73:sc= 0.208 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot -43:sc= 0.059 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0.65 K(o=0.65,f=0) USER MOD Single : B 122 GLN : amide:sc= -0.455 X(o=-0.45,f=-0.25) USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -11.966 -8.421 2.513 1.00 62.50 N ATOM 2 CA ASN A 10 -10.614 -7.872 2.527 1.00 62.10 C ATOM 3 C ASN A 10 -10.177 -7.465 1.123 1.00 74.10 C ATOM 4 O ASN A 10 -9.427 -6.504 0.951 1.00 61.00 O ATOM 5 CB ASN A 10 -9.633 -8.893 3.103 1.00 71.30 C ATOM 6 CG ASN A 10 -9.521 -8.801 4.613 1.00 53.30 C ATOM 7 OD1 ASN A 10 -10.425 -9.214 5.339 1.00 23.00 O ATOM 8 ND2 ASN A 10 -8.409 -8.256 5.093 1.00 70.10 N ATOM 0 HA ASN A 10 -10.616 -6.984 3.159 1.00 62.10 H new ATOM 0 HB2 ASN A 10 -9.954 -9.897 2.826 1.00 71.30 H new ATOM 0 HB3 ASN A 10 -8.650 -8.739 2.659 1.00 71.30 H new ATOM 0 HD21 ASN A 10 -8.279 -8.167 6.101 1.00 70.10 H new ATOM 0 HD22 ASN A 10 -7.685 -7.927 4.454 1.00 70.10 H new ATOM 15 N LEU A 11 -10.650 -8.200 0.127 1.00 75.30 N ATOM 16 CA LEU A 11 -10.310 -7.916 -1.264 1.00 44.10 C ATOM 17 C LEU A 11 -10.993 -6.639 -1.742 1.00 71.20 C ATOM 18 O LEU A 11 -10.449 -5.904 -2.566 1.00 22.40 O ATOM 19 CB LEU A 11 -10.710 -9.088 -2.159 1.00 3.44 C ATOM 20 CG LEU A 11 -9.836 -9.286 -3.399 1.00 63.40 C ATOM 21 CD1 LEU A 11 -9.878 -10.736 -3.855 1.00 13.00 C ATOM 22 CD2 LEU A 11 -10.276 -8.356 -4.514 1.00 14.00 C ATOM 0 H LEU A 11 -11.271 -8.999 0.254 1.00 75.30 H new ATOM 0 HA LEU A 11 -9.231 -7.774 -1.325 1.00 44.10 H new ATOM 0 HB2 LEU A 11 -10.685 -10.002 -1.566 1.00 3.44 H new ATOM 0 HB3 LEU A 11 -11.742 -8.944 -2.480 1.00 3.44 H new ATOM 0 HG LEU A 11 -8.806 -9.041 -3.139 1.00 63.40 H new ATOM 0 HD11 LEU A 11 -9.251 -10.858 -4.738 1.00 13.00 H new ATOM 0 HD12 LEU A 11 -9.509 -11.379 -3.056 1.00 13.00 H new ATOM 0 HD13 LEU A 11 -10.904 -11.011 -4.098 1.00 13.00 H new ATOM 0 HD21 LEU A 11 -9.643 -8.511 -5.388 1.00 14.00 H new ATOM 0 HD22 LEU A 11 -11.313 -8.566 -4.775 1.00 14.00 H new ATOM 0 HD23 LEU A 11 -10.188 -7.322 -4.181 1.00 14.00 H new ATOM 34 N GLN A 12 -12.184 -6.378 -1.213 1.00 62.30 N ATOM 35 CA GLN A 12 -12.938 -5.186 -1.582 1.00 11.30 C ATOM 36 C GLN A 12 -12.302 -3.932 -1.002 1.00 75.40 C ATOM 37 O GLN A 12 -12.153 -2.918 -1.686 1.00 11.10 O ATOM 38 CB GLN A 12 -14.387 -5.307 -1.102 1.00 52.30 C ATOM 39 CG GLN A 12 -15.313 -4.259 -1.694 1.00 62.10 C ATOM 40 CD GLN A 12 -16.504 -3.963 -0.804 1.00 35.10 C ATOM 41 OE1 GLN A 12 -16.411 -3.171 0.134 1.00 71.30 O ATOM 42 NE2 GLN A 12 -17.630 -4.599 -1.092 1.00 42.40 N ATOM 0 H GLN A 12 -12.647 -6.975 -0.528 1.00 62.30 H new ATOM 0 HA GLN A 12 -12.925 -5.103 -2.669 1.00 11.30 H new ATOM 0 HB2 GLN A 12 -14.764 -6.298 -1.356 1.00 52.30 H new ATOM 0 HB3 GLN A 12 -14.409 -5.227 -0.015 1.00 52.30 H new ATOM 0 HG2 GLN A 12 -14.753 -3.339 -1.863 1.00 62.10 H new ATOM 0 HG3 GLN A 12 -15.667 -4.600 -2.667 1.00 62.10 H new ATOM 0 HE21 GLN A 12 -17.663 -5.247 -1.879 1.00 42.40 H new ATOM 0 HE22 GLN A 12 -18.464 -4.440 -0.527 1.00 42.40 H new ATOM 51 N LYS A 13 -11.922 -4.003 0.268 1.00 5.40 N ATOM 52 CA LYS A 13 -11.298 -2.871 0.943 1.00 44.30 C ATOM 53 C LYS A 13 -9.921 -2.578 0.354 1.00 65.50 C ATOM 54 O LYS A 13 -9.508 -1.422 0.263 1.00 12.40 O ATOM 55 CB LYS A 13 -11.175 -3.149 2.443 1.00 53.50 C ATOM 56 CG LYS A 13 -12.393 -2.717 3.243 1.00 34.20 C ATOM 57 CD LYS A 13 -13.645 -3.451 2.791 1.00 23.40 C ATOM 58 CE LYS A 13 -14.567 -3.753 3.962 1.00 34.20 C ATOM 59 NZ LYS A 13 -13.890 -4.572 5.005 1.00 13.00 N ATOM 0 H LYS A 13 -12.035 -4.832 0.851 1.00 5.40 H new ATOM 0 HA LYS A 13 -11.931 -1.997 0.793 1.00 44.30 H new ATOM 0 HB2 LYS A 13 -11.011 -4.216 2.594 1.00 53.50 H new ATOM 0 HB3 LYS A 13 -10.296 -2.633 2.829 1.00 53.50 H new ATOM 0 HG2 LYS A 13 -12.220 -2.908 4.302 1.00 34.20 H new ATOM 0 HG3 LYS A 13 -12.540 -1.643 3.133 1.00 34.20 H new ATOM 0 HD2 LYS A 13 -14.176 -2.848 2.055 1.00 23.40 H new ATOM 0 HD3 LYS A 13 -13.364 -4.382 2.298 1.00 23.40 H new ATOM 0 HE2 LYS A 13 -14.913 -2.818 4.402 1.00 34.20 H new ATOM 0 HE3 LYS A 13 -15.450 -4.281 3.602 1.00 34.20 H new ATOM 0 HZ1 LYS A 13 -14.590 -5.179 5.478 1.00 13.00 H new ATOM 0 HZ2 LYS A 13 -13.161 -5.166 4.561 1.00 13.00 H new ATOM 0 HZ3 LYS A 13 -13.446 -3.944 5.705 1.00 13.00 H new ATOM 73 N ALA A 14 -9.218 -3.632 -0.044 1.00 54.40 N ATOM 74 CA ALA A 14 -7.888 -3.487 -0.625 1.00 40.40 C ATOM 75 C ALA A 14 -7.930 -2.635 -1.888 1.00 3.52 C ATOM 76 O ALA A 14 -7.162 -1.685 -2.034 1.00 22.20 O ATOM 77 CB ALA A 14 -7.293 -4.855 -0.927 1.00 4.14 C ATOM 0 H ALA A 14 -9.546 -4.595 0.025 1.00 54.40 H new ATOM 0 HA ALA A 14 -7.254 -2.979 0.102 1.00 40.40 H new ATOM 0 HB1 ALA A 14 -6.300 -4.732 -1.360 1.00 4.14 H new ATOM 0 HB2 ALA A 14 -7.218 -5.431 -0.005 1.00 4.14 H new ATOM 0 HB3 ALA A 14 -7.934 -5.383 -1.633 1.00 4.14 H new ATOM 83 N ILE A 15 -8.833 -2.982 -2.799 1.00 65.00 N ATOM 84 CA ILE A 15 -8.975 -2.250 -4.051 1.00 23.40 C ATOM 85 C ILE A 15 -9.671 -0.911 -3.828 1.00 10.20 C ATOM 86 O ILE A 15 -9.385 0.071 -4.512 1.00 30.20 O ATOM 87 CB ILE A 15 -9.772 -3.061 -5.091 1.00 31.20 C ATOM 88 CG1 ILE A 15 -9.217 -4.483 -5.190 1.00 31.40 C ATOM 89 CG2 ILE A 15 -9.726 -2.371 -6.445 1.00 14.10 C ATOM 90 CD1 ILE A 15 -7.783 -4.542 -5.667 1.00 54.00 C ATOM 0 H ILE A 15 -9.477 -3.766 -2.693 1.00 65.00 H new ATOM 0 HA ILE A 15 -7.968 -2.077 -4.431 1.00 23.40 H new ATOM 0 HB ILE A 15 -10.812 -3.119 -4.771 1.00 31.20 H new ATOM 0 HG12 ILE A 15 -9.286 -4.960 -4.212 1.00 31.40 H new ATOM 0 HG13 ILE A 15 -9.842 -5.061 -5.871 1.00 31.40 H new ATOM 0 HG21 ILE A 15 -10.293 -2.955 -7.170 1.00 14.10 H new ATOM 0 HG22 ILE A 15 -10.161 -1.375 -6.361 1.00 14.10 H new ATOM 0 HG23 ILE A 15 -8.691 -2.288 -6.776 1.00 14.10 H new ATOM 0 HD11 ILE A 15 -7.457 -5.581 -5.713 1.00 54.00 H new ATOM 0 HD12 ILE A 15 -7.711 -4.095 -6.659 1.00 54.00 H new ATOM 0 HD13 ILE A 15 -7.146 -3.992 -4.974 1.00 54.00 H new ATOM 102 N ASP A 16 -10.587 -0.880 -2.865 1.00 44.20 N ATOM 103 CA ASP A 16 -11.324 0.340 -2.551 1.00 10.10 C ATOM 104 C ASP A 16 -10.417 1.365 -1.878 1.00 62.00 C ATOM 105 O ASP A 16 -10.533 2.566 -2.125 1.00 24.10 O ATOM 106 CB ASP A 16 -12.514 0.020 -1.644 1.00 44.20 C ATOM 107 CG ASP A 16 -13.520 1.154 -1.592 1.00 4.34 C ATOM 108 OD1 ASP A 16 -13.205 2.200 -0.987 1.00 15.20 O ATOM 109 OD2 ASP A 16 -14.618 0.998 -2.150 1.00 5.34 O ATOM 0 H ASP A 16 -10.837 -1.684 -2.289 1.00 44.20 H new ATOM 0 HA ASP A 16 -11.691 0.765 -3.485 1.00 10.10 H new ATOM 0 HB2 ASP A 16 -13.007 -0.884 -2.001 1.00 44.20 H new ATOM 0 HB3 ASP A 16 -12.154 -0.190 -0.637 1.00 44.20 H new ATOM 114 N LEU A 17 -9.516 0.884 -1.029 1.00 71.50 N ATOM 115 CA LEU A 17 -8.589 1.759 -0.321 1.00 55.40 C ATOM 116 C LEU A 17 -7.428 2.165 -1.223 1.00 41.10 C ATOM 117 O LEU A 17 -7.051 3.335 -1.276 1.00 70.30 O ATOM 118 CB LEU A 17 -8.057 1.064 0.934 1.00 21.40 C ATOM 119 CG LEU A 17 -9.000 1.090 2.138 1.00 34.20 C ATOM 120 CD1 LEU A 17 -8.829 -0.167 2.978 1.00 23.40 C ATOM 121 CD2 LEU A 17 -8.752 2.334 2.980 1.00 44.20 C ATOM 0 H LEU A 17 -9.408 -0.107 -0.814 1.00 71.50 H new ATOM 0 HA LEU A 17 -9.129 2.659 -0.028 1.00 55.40 H new ATOM 0 HB2 LEU A 17 -7.834 0.026 0.689 1.00 21.40 H new ATOM 0 HB3 LEU A 17 -7.115 1.533 1.219 1.00 21.40 H new ATOM 0 HG LEU A 17 -10.026 1.120 1.772 1.00 34.20 H new ATOM 0 HD11 LEU A 17 -9.508 -0.130 3.830 1.00 23.40 H new ATOM 0 HD12 LEU A 17 -9.055 -1.044 2.371 1.00 23.40 H new ATOM 0 HD13 LEU A 17 -7.801 -0.229 3.336 1.00 23.40 H new ATOM 0 HD21 LEU A 17 -9.431 2.337 3.833 1.00 44.20 H new ATOM 0 HD22 LEU A 17 -7.722 2.333 3.336 1.00 44.20 H new ATOM 0 HD23 LEU A 17 -8.925 3.224 2.375 1.00 44.20 H new ATOM 133 N ALA A 18 -6.865 1.189 -1.929 1.00 53.30 N ATOM 134 CA ALA A 18 -5.747 1.445 -2.829 1.00 30.00 C ATOM 135 C ALA A 18 -6.132 2.447 -3.913 1.00 22.10 C ATOM 136 O ALA A 18 -5.398 3.397 -4.184 1.00 73.10 O ATOM 137 CB ALA A 18 -5.267 0.145 -3.455 1.00 72.20 C ATOM 0 H ALA A 18 -7.165 0.215 -1.895 1.00 53.30 H new ATOM 0 HA ALA A 18 -4.934 1.877 -2.245 1.00 30.00 H new ATOM 0 HB1 ALA A 18 -4.432 0.350 -4.125 1.00 72.20 H new ATOM 0 HB2 ALA A 18 -4.943 -0.539 -2.670 1.00 72.20 H new ATOM 0 HB3 ALA A 18 -6.081 -0.310 -4.019 1.00 72.20 H new ATOM 143 N SER A 19 -7.289 2.228 -4.529 1.00 45.40 N ATOM 144 CA SER A 19 -7.772 3.112 -5.584 1.00 71.40 C ATOM 145 C SER A 19 -8.137 4.481 -5.019 1.00 61.10 C ATOM 146 O SER A 19 -7.876 5.510 -5.643 1.00 63.40 O ATOM 147 CB SER A 19 -8.985 2.494 -6.280 1.00 61.30 C ATOM 148 OG SER A 19 -9.429 3.309 -7.351 1.00 40.30 O ATOM 0 H SER A 19 -7.909 1.447 -4.316 1.00 45.40 H new ATOM 0 HA SER A 19 -6.971 3.241 -6.313 1.00 71.40 H new ATOM 0 HB2 SER A 19 -8.727 1.504 -6.655 1.00 61.30 H new ATOM 0 HB3 SER A 19 -9.793 2.362 -5.560 1.00 61.30 H new ATOM 0 HG SER A 19 -10.204 2.891 -7.780 1.00 40.30 H new ATOM 154 N LYS A 20 -8.744 4.486 -3.837 1.00 63.20 N ATOM 155 CA LYS A 20 -9.146 5.729 -3.188 1.00 21.00 C ATOM 156 C LYS A 20 -7.926 6.526 -2.738 1.00 33.30 C ATOM 157 O LYS A 20 -7.925 7.756 -2.779 1.00 1.51 O ATOM 158 CB LYS A 20 -10.048 5.435 -1.990 1.00 53.30 C ATOM 159 CG LYS A 20 -10.633 6.682 -1.347 1.00 71.10 C ATOM 160 CD LYS A 20 -11.086 6.414 0.079 1.00 43.30 C ATOM 161 CE LYS A 20 -11.705 7.652 0.708 1.00 42.30 C ATOM 162 NZ LYS A 20 -12.018 7.445 2.149 1.00 52.20 N ATOM 0 H LYS A 20 -8.969 3.643 -3.309 1.00 63.20 H new ATOM 0 HA LYS A 20 -9.700 6.325 -3.913 1.00 21.00 H new ATOM 0 HB2 LYS A 20 -10.863 4.785 -2.310 1.00 53.30 H new ATOM 0 HB3 LYS A 20 -9.477 4.885 -1.242 1.00 53.30 H new ATOM 0 HG2 LYS A 20 -9.888 7.478 -1.350 1.00 71.10 H new ATOM 0 HG3 LYS A 20 -11.478 7.035 -1.938 1.00 71.10 H new ATOM 0 HD2 LYS A 20 -11.811 5.600 0.085 1.00 43.30 H new ATOM 0 HD3 LYS A 20 -10.235 6.087 0.677 1.00 43.30 H new ATOM 0 HE2 LYS A 20 -11.021 8.494 0.602 1.00 42.30 H new ATOM 0 HE3 LYS A 20 -12.617 7.914 0.172 1.00 42.30 H new ATOM 0 HZ1 LYS A 20 -12.454 8.306 2.537 1.00 52.20 H new ATOM 0 HZ2 LYS A 20 -12.678 6.647 2.250 1.00 52.20 H new ATOM 0 HZ3 LYS A 20 -11.141 7.237 2.668 1.00 52.20 H new ATOM 176 N ALA A 21 -6.887 5.817 -2.307 1.00 52.40 N ATOM 177 CA ALA A 21 -5.661 6.458 -1.849 1.00 51.50 C ATOM 178 C ALA A 21 -5.041 7.307 -2.952 1.00 0.53 C ATOM 179 O ALA A 21 -4.702 8.471 -2.738 1.00 63.30 O ATOM 180 CB ALA A 21 -4.669 5.412 -1.364 1.00 43.00 C ATOM 0 H ALA A 21 -6.871 4.798 -2.266 1.00 52.40 H new ATOM 0 HA ALA A 21 -5.913 7.117 -1.018 1.00 51.50 H new ATOM 0 HB1 ALA A 21 -3.758 5.904 -1.025 1.00 43.00 H new ATOM 0 HB2 ALA A 21 -5.107 4.850 -0.539 1.00 43.00 H new ATOM 0 HB3 ALA A 21 -4.431 4.730 -2.181 1.00 43.00 H new ATOM 186 N ALA A 22 -4.892 6.717 -4.133 1.00 43.00 N ATOM 187 CA ALA A 22 -4.313 7.420 -5.272 1.00 34.10 C ATOM 188 C ALA A 22 -5.195 8.584 -5.706 1.00 23.10 C ATOM 189 O ALA A 22 -4.703 9.597 -6.206 1.00 12.00 O ATOM 190 CB ALA A 22 -4.097 6.457 -6.431 1.00 75.00 C ATOM 0 H ALA A 22 -5.164 5.753 -4.327 1.00 43.00 H new ATOM 0 HA ALA A 22 -3.349 7.825 -4.965 1.00 34.10 H new ATOM 0 HB1 ALA A 22 -3.664 6.994 -7.275 1.00 75.00 H new ATOM 0 HB2 ALA A 22 -3.419 5.661 -6.122 1.00 75.00 H new ATOM 0 HB3 ALA A 22 -5.053 6.025 -6.728 1.00 75.00 H new ATOM 196 N GLN A 23 -6.501 8.436 -5.511 1.00 24.40 N ATOM 197 CA GLN A 23 -7.453 9.476 -5.883 1.00 40.10 C ATOM 198 C GLN A 23 -7.164 10.772 -5.132 1.00 60.10 C ATOM 199 O GLN A 23 -7.242 11.860 -5.701 1.00 22.40 O ATOM 200 CB GLN A 23 -8.883 9.014 -5.596 1.00 72.10 C ATOM 201 CG GLN A 23 -9.931 9.717 -6.443 1.00 44.30 C ATOM 202 CD GLN A 23 -11.209 9.995 -5.676 1.00 73.00 C ATOM 203 OE1 GLN A 23 -12.163 9.218 -5.733 1.00 31.20 O ATOM 204 NE2 GLN A 23 -11.235 11.109 -4.954 1.00 51.50 N ATOM 0 H GLN A 23 -6.925 7.605 -5.097 1.00 24.40 H new ATOM 0 HA GLN A 23 -7.347 9.665 -6.951 1.00 40.10 H new ATOM 0 HB2 GLN A 23 -8.950 7.940 -5.768 1.00 72.10 H new ATOM 0 HB3 GLN A 23 -9.106 9.183 -4.543 1.00 72.10 H new ATOM 0 HG2 GLN A 23 -9.522 10.657 -6.814 1.00 44.30 H new ATOM 0 HG3 GLN A 23 -10.160 9.103 -7.314 1.00 44.30 H new ATOM 0 HE21 GLN A 23 -10.421 11.724 -4.936 1.00 51.50 H new ATOM 0 HE22 GLN A 23 -12.069 11.350 -4.418 1.00 51.50 H new ATOM 213 N GLU A 24 -6.830 10.646 -3.852 1.00 42.10 N ATOM 214 CA GLU A 24 -6.530 11.808 -3.024 1.00 63.30 C ATOM 215 C GLU A 24 -5.164 12.389 -3.375 1.00 0.41 C ATOM 216 O GLU A 24 -4.943 13.595 -3.261 1.00 51.20 O ATOM 217 CB GLU A 24 -6.571 11.428 -1.541 1.00 42.00 C ATOM 218 CG GLU A 24 -7.910 11.710 -0.879 1.00 62.40 C ATOM 219 CD GLU A 24 -8.701 10.446 -0.601 1.00 4.53 C ATOM 220 OE1 GLU A 24 -8.939 9.673 -1.553 1.00 40.40 O ATOM 221 OE2 GLU A 24 -9.082 10.230 0.569 1.00 71.50 O ATOM 0 H GLU A 24 -6.760 9.752 -3.366 1.00 42.10 H new ATOM 0 HA GLU A 24 -7.288 12.567 -3.219 1.00 63.30 H new ATOM 0 HB2 GLU A 24 -6.341 10.367 -1.439 1.00 42.00 H new ATOM 0 HB3 GLU A 24 -5.791 11.976 -1.012 1.00 42.00 H new ATOM 0 HG2 GLU A 24 -7.743 12.243 0.057 1.00 62.40 H new ATOM 0 HG3 GLU A 24 -8.497 12.368 -1.520 1.00 62.40 H new ATOM 228 N ASP A 25 -4.250 11.524 -3.803 1.00 53.20 N ATOM 229 CA ASP A 25 -2.906 11.952 -4.172 1.00 54.40 C ATOM 230 C ASP A 25 -2.953 12.988 -5.290 1.00 23.10 C ATOM 231 O ASP A 25 -2.296 14.027 -5.216 1.00 11.00 O ATOM 232 CB ASP A 25 -2.067 10.750 -4.610 1.00 20.50 C ATOM 233 CG ASP A 25 -0.596 11.092 -4.752 1.00 61.30 C ATOM 234 OD1 ASP A 25 -0.269 11.969 -5.579 1.00 34.30 O ATOM 235 OD2 ASP A 25 0.227 10.483 -4.037 1.00 4.54 O ATOM 0 H ASP A 25 -4.416 10.523 -3.903 1.00 53.20 H new ATOM 0 HA ASP A 25 -2.444 12.409 -3.297 1.00 54.40 H new ATOM 0 HB2 ASP A 25 -2.182 9.946 -3.883 1.00 20.50 H new ATOM 0 HB3 ASP A 25 -2.444 10.375 -5.562 1.00 20.50 H new ATOM 240 N LYS A 26 -3.735 12.700 -6.325 1.00 3.12 N ATOM 241 CA LYS A 26 -3.870 13.607 -7.458 1.00 32.40 C ATOM 242 C LYS A 26 -4.859 14.725 -7.144 1.00 10.30 C ATOM 243 O LYS A 26 -4.732 15.840 -7.651 1.00 5.41 O ATOM 244 CB LYS A 26 -4.327 12.841 -8.701 1.00 3.42 C ATOM 245 CG LYS A 26 -4.456 13.711 -9.940 1.00 22.40 C ATOM 246 CD LYS A 26 -3.102 13.975 -10.578 1.00 4.35 C ATOM 247 CE LYS A 26 -2.726 12.879 -11.560 1.00 64.30 C ATOM 248 NZ LYS A 26 -2.011 13.419 -12.750 1.00 32.20 N ATOM 0 H LYS A 26 -4.285 11.845 -6.402 1.00 3.12 H new ATOM 0 HA LYS A 26 -2.894 14.052 -7.653 1.00 32.40 H new ATOM 0 HB2 LYS A 26 -3.618 12.038 -8.904 1.00 3.42 H new ATOM 0 HB3 LYS A 26 -5.289 12.372 -8.495 1.00 3.42 H new ATOM 0 HG2 LYS A 26 -5.111 13.223 -10.662 1.00 22.40 H new ATOM 0 HG3 LYS A 26 -4.925 14.658 -9.674 1.00 22.40 H new ATOM 0 HD2 LYS A 26 -3.123 14.935 -11.093 1.00 4.35 H new ATOM 0 HD3 LYS A 26 -2.340 14.046 -9.801 1.00 4.35 H new ATOM 0 HE2 LYS A 26 -2.095 12.145 -11.060 1.00 64.30 H new ATOM 0 HE3 LYS A 26 -3.627 12.357 -11.884 1.00 64.30 H new ATOM 0 HZ1 LYS A 26 -1.772 12.639 -13.395 1.00 32.20 H new ATOM 0 HZ2 LYS A 26 -2.623 14.101 -13.243 1.00 32.20 H new ATOM 0 HZ3 LYS A 26 -1.138 13.895 -12.444 1.00 32.20 H new ATOM 262 N ALA A 27 -5.844 14.420 -6.306 1.00 40.40 N ATOM 263 CA ALA A 27 -6.854 15.398 -5.924 1.00 73.20 C ATOM 264 C ALA A 27 -6.218 16.612 -5.254 1.00 20.30 C ATOM 265 O ALA A 27 -6.297 17.728 -5.767 1.00 23.00 O ATOM 266 CB ALA A 27 -7.883 14.762 -5.001 1.00 23.20 C ATOM 0 H ALA A 27 -5.964 13.502 -5.878 1.00 40.40 H new ATOM 0 HA ALA A 27 -7.356 15.737 -6.830 1.00 73.20 H new ATOM 0 HB1 ALA A 27 -8.631 15.505 -4.724 1.00 23.20 H new ATOM 0 HB2 ALA A 27 -8.368 13.932 -5.514 1.00 23.20 H new ATOM 0 HB3 ALA A 27 -7.388 14.393 -4.103 1.00 23.20 H new ATOM 272 N GLY A 28 -5.589 16.386 -4.106 1.00 10.40 N ATOM 273 CA GLY A 28 -4.948 17.472 -3.387 1.00 24.40 C ATOM 274 C GLY A 28 -4.621 17.105 -1.952 1.00 43.40 C ATOM 275 O GLY A 28 -3.663 17.620 -1.377 1.00 14.50 O ATOM 0 H GLY A 28 -5.511 15.472 -3.661 1.00 10.40 H new ATOM 0 HA2 GLY A 28 -4.031 17.755 -3.904 1.00 24.40 H new ATOM 0 HA3 GLY A 28 -5.601 18.345 -3.396 1.00 24.40 H new ATOM 279 N ASN A 29 -5.419 16.215 -1.372 1.00 73.20 N ATOM 280 CA ASN A 29 -5.209 15.784 0.004 1.00 62.40 C ATOM 281 C ASN A 29 -4.098 14.742 0.085 1.00 25.10 C ATOM 282 O ASN A 29 -4.360 13.539 0.078 1.00 60.30 O ATOM 283 CB ASN A 29 -6.503 15.212 0.585 1.00 64.40 C ATOM 284 CG ASN A 29 -7.651 16.201 0.523 1.00 42.40 C ATOM 285 OD1 ASN A 29 -7.493 17.375 0.857 1.00 41.00 O ATOM 286 ND2 ASN A 29 -8.816 15.729 0.096 1.00 72.30 N ATOM 0 H ASN A 29 -6.217 15.778 -1.834 1.00 73.20 H new ATOM 0 HA ASN A 29 -4.910 16.654 0.588 1.00 62.40 H new ATOM 0 HB2 ASN A 29 -6.775 14.309 0.039 1.00 64.40 H new ATOM 0 HB3 ASN A 29 -6.335 14.919 1.621 1.00 64.40 H new ATOM 0 HD21 ASN A 29 -9.625 16.347 0.035 1.00 72.30 H new ATOM 0 HD22 ASN A 29 -8.902 14.748 -0.171 1.00 72.30 H new ATOM 293 N TYR A 30 -2.857 15.212 0.161 1.00 13.40 N ATOM 294 CA TYR A 30 -1.706 14.321 0.243 1.00 62.20 C ATOM 295 C TYR A 30 -1.745 13.499 1.527 1.00 2.52 C ATOM 296 O TYR A 30 -1.647 12.272 1.493 1.00 73.10 O ATOM 297 CB TYR A 30 -0.406 15.126 0.179 1.00 20.20 C ATOM 298 CG TYR A 30 -0.274 15.964 -1.072 1.00 13.30 C ATOM 299 CD1 TYR A 30 -0.626 15.450 -2.314 1.00 71.10 C ATOM 300 CD2 TYR A 30 0.203 17.267 -1.012 1.00 32.30 C ATOM 301 CE1 TYR A 30 -0.507 16.212 -3.461 1.00 41.50 C ATOM 302 CE2 TYR A 30 0.324 18.035 -2.154 1.00 41.40 C ATOM 303 CZ TYR A 30 -0.031 17.503 -3.375 1.00 54.30 C ATOM 304 OH TYR A 30 0.089 18.265 -4.514 1.00 51.20 O ATOM 0 H TYR A 30 -2.623 16.205 0.167 1.00 13.40 H new ATOM 0 HA TYR A 30 -1.745 13.638 -0.606 1.00 62.20 H new ATOM 0 HB2 TYR A 30 -0.349 15.778 1.051 1.00 20.20 H new ATOM 0 HB3 TYR A 30 0.439 14.440 0.238 1.00 20.20 H new ATOM 0 HD1 TYR A 30 -0.999 14.439 -2.384 1.00 71.10 H new ATOM 0 HD2 TYR A 30 0.484 17.687 -0.057 1.00 32.30 H new ATOM 0 HE1 TYR A 30 -0.785 15.798 -4.419 1.00 41.50 H new ATOM 0 HE2 TYR A 30 0.695 19.047 -2.090 1.00 41.40 H new ATOM 0 HH TYR A 30 0.438 19.150 -4.280 1.00 51.20 H new ATOM 314 N GLU A 31 -1.891 14.183 2.657 1.00 5.44 N ATOM 315 CA GLU A 31 -1.945 13.516 3.953 1.00 2.01 C ATOM 316 C GLU A 31 -3.084 12.502 3.994 1.00 3.03 C ATOM 317 O GLU A 31 -2.996 11.481 4.676 1.00 32.00 O ATOM 318 CB GLU A 31 -2.121 14.544 5.072 1.00 2.45 C ATOM 319 CG GLU A 31 -1.365 14.196 6.343 1.00 14.10 C ATOM 320 CD GLU A 31 -2.047 13.108 7.148 1.00 31.30 C ATOM 321 OE1 GLU A 31 -3.296 13.091 7.184 1.00 41.00 O ATOM 322 OE2 GLU A 31 -1.334 12.273 7.743 1.00 61.30 O ATOM 0 H GLU A 31 -1.974 15.199 2.702 1.00 5.44 H new ATOM 0 HA GLU A 31 -1.004 12.986 4.101 1.00 2.01 H new ATOM 0 HB2 GLU A 31 -1.786 15.518 4.715 1.00 2.45 H new ATOM 0 HB3 GLU A 31 -3.182 14.637 5.304 1.00 2.45 H new ATOM 0 HG2 GLU A 31 -0.356 13.873 6.085 1.00 14.10 H new ATOM 0 HG3 GLU A 31 -1.266 15.090 6.959 1.00 14.10 H new ATOM 329 N GLU A 32 -4.151 12.790 3.255 1.00 64.20 N ATOM 330 CA GLU A 32 -5.307 11.903 3.203 1.00 1.45 C ATOM 331 C GLU A 32 -4.991 10.649 2.393 1.00 42.10 C ATOM 332 O GLU A 32 -5.386 9.544 2.762 1.00 60.00 O ATOM 333 CB GLU A 32 -6.505 12.632 2.592 1.00 21.10 C ATOM 334 CG GLU A 32 -7.762 11.781 2.513 1.00 32.10 C ATOM 335 CD GLU A 32 -8.372 11.514 3.876 1.00 35.10 C ATOM 336 OE1 GLU A 32 -8.558 12.482 4.642 1.00 34.20 O ATOM 337 OE2 GLU A 32 -8.664 10.337 4.176 1.00 1.11 O ATOM 0 H GLU A 32 -4.239 13.631 2.684 1.00 64.20 H new ATOM 0 HA GLU A 32 -5.554 11.603 4.222 1.00 1.45 H new ATOM 0 HB2 GLU A 32 -6.717 13.523 3.183 1.00 21.10 H new ATOM 0 HB3 GLU A 32 -6.241 12.969 1.590 1.00 21.10 H new ATOM 0 HG2 GLU A 32 -8.496 12.282 1.882 1.00 32.10 H new ATOM 0 HG3 GLU A 32 -7.524 10.832 2.033 1.00 32.10 H new ATOM 344 N ALA A 33 -4.276 10.832 1.287 1.00 23.10 N ATOM 345 CA ALA A 33 -3.906 9.718 0.425 1.00 74.40 C ATOM 346 C ALA A 33 -2.836 8.850 1.079 1.00 63.10 C ATOM 347 O ALA A 33 -2.811 7.633 0.897 1.00 73.00 O ATOM 348 CB ALA A 33 -3.421 10.233 -0.922 1.00 15.40 C ATOM 0 H ALA A 33 -3.942 11.741 0.968 1.00 23.10 H new ATOM 0 HA ALA A 33 -4.791 9.101 0.269 1.00 74.40 H new ATOM 0 HB1 ALA A 33 -3.148 9.390 -1.557 1.00 15.40 H new ATOM 0 HB2 ALA A 33 -4.216 10.805 -1.401 1.00 15.40 H new ATOM 0 HB3 ALA A 33 -2.551 10.874 -0.775 1.00 15.40 H new ATOM 354 N LEU A 34 -1.951 9.486 1.840 1.00 71.40 N ATOM 355 CA LEU A 34 -0.877 8.772 2.522 1.00 41.10 C ATOM 356 C LEU A 34 -1.441 7.741 3.494 1.00 24.20 C ATOM 357 O LEU A 34 -1.080 6.565 3.444 1.00 64.20 O ATOM 358 CB LEU A 34 0.022 9.757 3.272 1.00 41.30 C ATOM 359 CG LEU A 34 1.505 9.384 3.306 1.00 41.10 C ATOM 360 CD1 LEU A 34 2.303 10.430 4.067 1.00 32.40 C ATOM 361 CD2 LEU A 34 1.693 8.009 3.930 1.00 33.00 C ATOM 0 H LEU A 34 -1.956 10.493 2.000 1.00 71.40 H new ATOM 0 HA LEU A 34 -0.286 8.251 1.769 1.00 41.10 H new ATOM 0 HB2 LEU A 34 -0.079 10.740 2.812 1.00 41.30 H new ATOM 0 HB3 LEU A 34 -0.338 9.846 4.297 1.00 41.30 H new ATOM 0 HG LEU A 34 1.875 9.351 2.281 1.00 41.10 H new ATOM 0 HD11 LEU A 34 3.355 10.146 4.080 1.00 32.40 H new ATOM 0 HD12 LEU A 34 2.194 11.398 3.578 1.00 32.40 H new ATOM 0 HD13 LEU A 34 1.933 10.497 5.090 1.00 32.40 H new ATOM 0 HD21 LEU A 34 2.754 7.759 3.947 1.00 33.00 H new ATOM 0 HD22 LEU A 34 1.306 8.016 4.949 1.00 33.00 H new ATOM 0 HD23 LEU A 34 1.154 7.266 3.342 1.00 33.00 H new ATOM 373 N GLN A 35 -2.326 8.189 4.377 1.00 41.10 N ATOM 374 CA GLN A 35 -2.939 7.303 5.360 1.00 54.20 C ATOM 375 C GLN A 35 -3.721 6.188 4.674 1.00 32.00 C ATOM 376 O GLN A 35 -3.702 5.039 5.116 1.00 5.45 O ATOM 377 CB GLN A 35 -3.865 8.097 6.285 1.00 21.20 C ATOM 378 CG GLN A 35 -3.138 8.785 7.429 1.00 25.10 C ATOM 379 CD GLN A 35 -4.000 8.920 8.669 1.00 10.40 C ATOM 380 OE1 GLN A 35 -4.196 10.020 9.185 1.00 0.32 O ATOM 381 NE2 GLN A 35 -4.518 7.798 9.155 1.00 34.30 N ATOM 0 H GLN A 35 -2.635 9.159 4.433 1.00 41.10 H new ATOM 0 HA GLN A 35 -2.143 6.852 5.953 1.00 54.20 H new ATOM 0 HB2 GLN A 35 -4.394 8.848 5.698 1.00 21.20 H new ATOM 0 HB3 GLN A 35 -4.618 7.425 6.696 1.00 21.20 H new ATOM 0 HG2 GLN A 35 -2.239 8.220 7.675 1.00 25.10 H new ATOM 0 HG3 GLN A 35 -2.814 9.775 7.106 1.00 25.10 H new ATOM 0 HE21 GLN A 35 -4.329 6.908 8.695 1.00 34.30 H new ATOM 0 HE22 GLN A 35 -5.105 7.827 9.989 1.00 34.30 H new ATOM 390 N LEU A 36 -4.408 6.534 3.590 1.00 24.40 N ATOM 391 CA LEU A 36 -5.197 5.562 2.842 1.00 62.20 C ATOM 392 C LEU A 36 -4.292 4.559 2.133 1.00 32.30 C ATOM 393 O LEU A 36 -4.660 3.399 1.949 1.00 73.10 O ATOM 394 CB LEU A 36 -6.087 6.274 1.821 1.00 15.20 C ATOM 395 CG LEU A 36 -7.404 6.816 2.378 1.00 11.40 C ATOM 396 CD1 LEU A 36 -7.979 7.876 1.451 1.00 54.00 C ATOM 397 CD2 LEU A 36 -8.401 5.685 2.581 1.00 44.50 C ATOM 0 H LEU A 36 -4.434 7.480 3.210 1.00 24.40 H new ATOM 0 HA LEU A 36 -5.827 5.021 3.548 1.00 62.20 H new ATOM 0 HB2 LEU A 36 -5.526 7.101 1.387 1.00 15.20 H new ATOM 0 HB3 LEU A 36 -6.311 5.580 1.010 1.00 15.20 H new ATOM 0 HG LEU A 36 -7.206 7.278 3.345 1.00 11.40 H new ATOM 0 HD11 LEU A 36 -8.916 8.250 1.863 1.00 54.00 H new ATOM 0 HD12 LEU A 36 -7.270 8.699 1.355 1.00 54.00 H new ATOM 0 HD13 LEU A 36 -8.163 7.440 0.469 1.00 54.00 H new ATOM 0 HD21 LEU A 36 -9.333 6.088 2.978 1.00 44.50 H new ATOM 0 HD22 LEU A 36 -8.595 5.195 1.627 1.00 44.50 H new ATOM 0 HD23 LEU A 36 -7.991 4.960 3.284 1.00 44.50 H new ATOM 409 N TYR A 37 -3.108 5.014 1.738 1.00 62.00 N ATOM 410 CA TYR A 37 -2.151 4.155 1.049 1.00 2.25 C ATOM 411 C TYR A 37 -1.761 2.967 1.921 1.00 51.00 C ATOM 412 O TYR A 37 -1.798 1.820 1.477 1.00 32.30 O ATOM 413 CB TYR A 37 -0.903 4.953 0.666 1.00 2.41 C ATOM 414 CG TYR A 37 -0.975 5.568 -0.714 1.00 33.10 C ATOM 415 CD1 TYR A 37 -1.437 4.834 -1.799 1.00 55.30 C ATOM 416 CD2 TYR A 37 -0.581 6.883 -0.931 1.00 11.40 C ATOM 417 CE1 TYR A 37 -1.504 5.393 -3.061 1.00 23.00 C ATOM 418 CE2 TYR A 37 -0.646 7.448 -2.190 1.00 31.40 C ATOM 419 CZ TYR A 37 -1.109 6.700 -3.251 1.00 54.40 C ATOM 420 OH TYR A 37 -1.174 7.260 -4.507 1.00 1.13 O ATOM 0 H TYR A 37 -2.788 5.972 1.883 1.00 62.00 H new ATOM 0 HA TYR A 37 -2.625 3.777 0.143 1.00 2.25 H new ATOM 0 HB2 TYR A 37 -0.749 5.745 1.399 1.00 2.41 H new ATOM 0 HB3 TYR A 37 -0.033 4.298 0.717 1.00 2.41 H new ATOM 0 HD1 TYR A 37 -1.749 3.810 -1.654 1.00 55.30 H new ATOM 0 HD2 TYR A 37 -0.218 7.473 -0.102 1.00 11.40 H new ATOM 0 HE1 TYR A 37 -1.864 4.809 -3.895 1.00 23.00 H new ATOM 0 HE2 TYR A 37 -0.335 8.471 -2.342 1.00 31.40 H new ATOM 0 HH TYR A 37 -1.593 6.626 -5.126 1.00 1.13 H new ATOM 430 N GLN A 38 -1.388 3.250 3.165 1.00 61.50 N ATOM 431 CA GLN A 38 -0.991 2.203 4.101 1.00 21.40 C ATOM 432 C GLN A 38 -2.128 1.210 4.320 1.00 53.50 C ATOM 433 O GLN A 38 -1.927 -0.002 4.257 1.00 63.20 O ATOM 434 CB GLN A 38 -0.570 2.818 5.436 1.00 50.10 C ATOM 435 CG GLN A 38 0.700 3.650 5.351 1.00 71.20 C ATOM 436 CD GLN A 38 0.832 4.632 6.498 1.00 13.40 C ATOM 437 OE1 GLN A 38 0.393 4.363 7.616 1.00 14.10 O ATOM 438 NE2 GLN A 38 1.439 5.782 6.225 1.00 41.20 N ATOM 0 H GLN A 38 -1.352 4.195 3.548 1.00 61.50 H new ATOM 0 HA GLN A 38 -0.144 1.668 3.672 1.00 21.40 H new ATOM 0 HB2 GLN A 38 -1.380 3.444 5.809 1.00 50.10 H new ATOM 0 HB3 GLN A 38 -0.423 2.020 6.164 1.00 50.10 H new ATOM 0 HG2 GLN A 38 1.565 2.986 5.344 1.00 71.20 H new ATOM 0 HG3 GLN A 38 0.710 4.196 4.408 1.00 71.20 H new ATOM 0 HE21 GLN A 38 1.788 5.964 5.284 1.00 41.20 H new ATOM 0 HE22 GLN A 38 1.556 6.483 6.957 1.00 41.20 H new ATOM 447 N HIS A 39 -3.322 1.734 4.578 1.00 54.30 N ATOM 448 CA HIS A 39 -4.491 0.893 4.806 1.00 23.20 C ATOM 449 C HIS A 39 -4.781 0.023 3.588 1.00 22.50 C ATOM 450 O HIS A 39 -5.259 -1.104 3.717 1.00 2.33 O ATOM 451 CB HIS A 39 -5.711 1.757 5.133 1.00 3.22 C ATOM 452 CG HIS A 39 -5.719 2.273 6.538 1.00 54.50 C ATOM 453 ND1 HIS A 39 -6.879 2.545 7.234 1.00 42.40 N ATOM 454 CD2 HIS A 39 -4.700 2.567 7.381 1.00 60.40 C ATOM 455 CE1 HIS A 39 -6.573 2.984 8.442 1.00 20.00 C ATOM 456 NE2 HIS A 39 -5.259 3.006 8.555 1.00 14.40 N ATOM 0 H HIS A 39 -3.505 2.736 4.634 1.00 54.30 H new ATOM 0 HA HIS A 39 -4.279 0.241 5.653 1.00 23.20 H new ATOM 0 HB2 HIS A 39 -5.743 2.601 4.444 1.00 3.22 H new ATOM 0 HB3 HIS A 39 -6.616 1.173 4.964 1.00 3.22 H new ATOM 0 HD2 HIS A 39 -3.645 2.473 7.169 1.00 60.40 H new ATOM 0 HE1 HIS A 39 -7.278 3.275 9.206 1.00 20.00 H new ATOM 0 HE2 HIS A 39 -4.741 3.302 9.382 1.00 14.40 H new ATOM 465 N ALA A 40 -4.490 0.555 2.405 1.00 74.10 N ATOM 466 CA ALA A 40 -4.719 -0.173 1.163 1.00 10.10 C ATOM 467 C ALA A 40 -3.754 -1.346 1.028 1.00 74.30 C ATOM 468 O ALA A 40 -4.174 -2.491 0.860 1.00 35.50 O ATOM 469 CB ALA A 40 -4.583 0.763 -0.029 1.00 4.14 C ATOM 0 H ALA A 40 -4.095 1.487 2.281 1.00 74.10 H new ATOM 0 HA ALA A 40 -5.733 -0.571 1.186 1.00 10.10 H new ATOM 0 HB1 ALA A 40 -4.756 0.207 -0.950 1.00 4.14 H new ATOM 0 HB2 ALA A 40 -5.316 1.566 0.053 1.00 4.14 H new ATOM 0 HB3 ALA A 40 -3.579 1.188 -0.045 1.00 4.14 H new ATOM 475 N VAL A 41 -2.461 -1.054 1.105 1.00 43.10 N ATOM 476 CA VAL A 41 -1.436 -2.084 0.992 1.00 4.13 C ATOM 477 C VAL A 41 -1.608 -3.150 2.071 1.00 65.30 C ATOM 478 O VAL A 41 -1.316 -4.325 1.848 1.00 32.00 O ATOM 479 CB VAL A 41 -0.021 -1.486 1.101 1.00 10.30 C ATOM 480 CG1 VAL A 41 1.030 -2.538 0.783 1.00 23.10 C ATOM 481 CG2 VAL A 41 0.122 -0.283 0.181 1.00 40.30 C ATOM 0 H VAL A 41 -2.097 -0.111 1.245 1.00 43.10 H new ATOM 0 HA VAL A 41 -1.554 -2.540 0.009 1.00 4.13 H new ATOM 0 HB VAL A 41 0.134 -1.151 2.126 1.00 10.30 H new ATOM 0 HG11 VAL A 41 2.023 -2.097 0.865 1.00 23.10 H new ATOM 0 HG12 VAL A 41 0.941 -3.365 1.487 1.00 23.10 H new ATOM 0 HG13 VAL A 41 0.880 -2.907 -0.232 1.00 23.10 H new ATOM 0 HG21 VAL A 41 1.128 0.127 0.271 1.00 40.30 H new ATOM 0 HG22 VAL A 41 -0.053 -0.590 -0.850 1.00 40.30 H new ATOM 0 HG23 VAL A 41 -0.606 0.478 0.462 1.00 40.30 H new ATOM 491 N GLN A 42 -2.087 -2.731 3.238 1.00 42.30 N ATOM 492 CA GLN A 42 -2.299 -3.650 4.350 1.00 11.50 C ATOM 493 C GLN A 42 -3.302 -4.735 3.973 1.00 62.50 C ATOM 494 O GLN A 42 -3.056 -5.923 4.186 1.00 2.21 O ATOM 495 CB GLN A 42 -2.792 -2.888 5.581 1.00 64.30 C ATOM 496 CG GLN A 42 -1.672 -2.296 6.420 1.00 25.10 C ATOM 497 CD GLN A 42 -2.148 -1.821 7.778 1.00 34.30 C ATOM 498 OE1 GLN A 42 -3.348 -1.797 8.055 1.00 72.00 O ATOM 499 NE2 GLN A 42 -1.209 -1.439 8.635 1.00 5.45 N ATOM 0 H GLN A 42 -2.335 -1.762 3.438 1.00 42.30 H new ATOM 0 HA GLN A 42 -1.347 -4.126 4.584 1.00 11.50 H new ATOM 0 HB2 GLN A 42 -3.456 -2.086 5.259 1.00 64.30 H new ATOM 0 HB3 GLN A 42 -3.383 -3.561 6.202 1.00 64.30 H new ATOM 0 HG2 GLN A 42 -0.890 -3.043 6.554 1.00 25.10 H new ATOM 0 HG3 GLN A 42 -1.224 -1.460 5.883 1.00 25.10 H new ATOM 0 HE21 GLN A 42 -0.226 -1.475 8.364 1.00 5.45 H new ATOM 0 HE22 GLN A 42 -1.470 -1.109 9.564 1.00 5.45 H new ATOM 508 N TYR A 43 -4.434 -4.321 3.413 1.00 22.10 N ATOM 509 CA TYR A 43 -5.473 -5.259 3.006 1.00 22.10 C ATOM 510 C TYR A 43 -4.940 -6.246 1.976 1.00 41.20 C ATOM 511 O TYR A 43 -5.334 -7.412 1.955 1.00 14.20 O ATOM 512 CB TYR A 43 -6.675 -4.505 2.435 1.00 42.10 C ATOM 513 CG TYR A 43 -7.726 -4.167 3.469 1.00 72.30 C ATOM 514 CD1 TYR A 43 -8.546 -5.154 4.002 1.00 60.40 C ATOM 515 CD2 TYR A 43 -7.898 -2.862 3.911 1.00 15.00 C ATOM 516 CE1 TYR A 43 -9.507 -4.849 4.948 1.00 32.20 C ATOM 517 CE2 TYR A 43 -8.857 -2.550 4.856 1.00 60.30 C ATOM 518 CZ TYR A 43 -9.659 -3.546 5.371 1.00 33.30 C ATOM 519 OH TYR A 43 -10.615 -3.239 6.311 1.00 41.10 O ATOM 0 H TYR A 43 -4.655 -3.342 3.231 1.00 22.10 H new ATOM 0 HA TYR A 43 -5.790 -5.817 3.887 1.00 22.10 H new ATOM 0 HB2 TYR A 43 -6.327 -3.583 1.969 1.00 42.10 H new ATOM 0 HB3 TYR A 43 -7.131 -5.107 1.649 1.00 42.10 H new ATOM 0 HD1 TYR A 43 -8.431 -6.176 3.672 1.00 60.40 H new ATOM 0 HD2 TYR A 43 -7.272 -2.078 3.510 1.00 15.00 H new ATOM 0 HE1 TYR A 43 -10.136 -5.628 5.354 1.00 32.20 H new ATOM 0 HE2 TYR A 43 -8.978 -1.530 5.190 1.00 60.30 H new ATOM 0 HH TYR A 43 -10.591 -2.278 6.500 1.00 41.10 H new ATOM 529 N PHE A 44 -4.038 -5.772 1.124 1.00 72.30 N ATOM 530 CA PHE A 44 -3.446 -6.611 0.092 1.00 74.40 C ATOM 531 C PHE A 44 -2.717 -7.800 0.711 1.00 74.10 C ATOM 532 O PHE A 44 -2.966 -8.949 0.350 1.00 34.30 O ATOM 533 CB PHE A 44 -2.477 -5.790 -0.759 1.00 11.40 C ATOM 534 CG PHE A 44 -3.080 -5.286 -2.039 1.00 11.50 C ATOM 535 CD1 PHE A 44 -3.302 -6.148 -3.101 1.00 40.00 C ATOM 536 CD2 PHE A 44 -3.424 -3.951 -2.180 1.00 54.00 C ATOM 537 CE1 PHE A 44 -3.857 -5.687 -4.280 1.00 21.10 C ATOM 538 CE2 PHE A 44 -3.979 -3.486 -3.356 1.00 34.40 C ATOM 539 CZ PHE A 44 -4.196 -4.354 -4.408 1.00 4.21 C ATOM 0 H PHE A 44 -3.701 -4.809 1.129 1.00 72.30 H new ATOM 0 HA PHE A 44 -4.247 -6.991 -0.542 1.00 74.40 H new ATOM 0 HB2 PHE A 44 -2.123 -4.941 -0.175 1.00 11.40 H new ATOM 0 HB3 PHE A 44 -1.605 -6.401 -0.994 1.00 11.40 H new ATOM 0 HD1 PHE A 44 -3.039 -7.191 -3.007 1.00 40.00 H new ATOM 0 HD2 PHE A 44 -3.256 -3.267 -1.361 1.00 54.00 H new ATOM 0 HE1 PHE A 44 -4.026 -6.369 -5.101 1.00 21.10 H new ATOM 0 HE2 PHE A 44 -4.243 -2.443 -3.453 1.00 34.40 H new ATOM 0 HZ PHE A 44 -4.630 -3.992 -5.328 1.00 4.21 H new ATOM 549 N LEU A 45 -1.818 -7.514 1.648 1.00 74.40 N ATOM 550 CA LEU A 45 -1.055 -8.560 2.320 1.00 71.00 C ATOM 551 C LEU A 45 -1.982 -9.559 3.003 1.00 24.00 C ATOM 552 O LEU A 45 -1.650 -10.734 3.139 1.00 32.30 O ATOM 553 CB LEU A 45 -0.104 -7.943 3.349 1.00 53.40 C ATOM 554 CG LEU A 45 1.214 -7.417 2.780 1.00 31.00 C ATOM 555 CD1 LEU A 45 2.106 -6.893 3.894 1.00 22.40 C ATOM 556 CD2 LEU A 45 1.926 -8.508 1.993 1.00 3.03 C ATOM 0 H LEU A 45 -1.600 -6.567 1.959 1.00 74.40 H new ATOM 0 HA LEU A 45 -0.473 -9.091 1.567 1.00 71.00 H new ATOM 0 HB2 LEU A 45 -0.618 -7.123 3.850 1.00 53.40 H new ATOM 0 HB3 LEU A 45 0.119 -8.692 4.109 1.00 53.40 H new ATOM 0 HG LEU A 45 0.992 -6.592 2.103 1.00 31.00 H new ATOM 0 HD11 LEU A 45 3.039 -6.523 3.469 1.00 22.40 H new ATOM 0 HD12 LEU A 45 1.598 -6.082 4.416 1.00 22.40 H new ATOM 0 HD13 LEU A 45 2.321 -7.698 4.597 1.00 22.40 H new ATOM 0 HD21 LEU A 45 2.862 -8.117 1.595 1.00 3.03 H new ATOM 0 HD22 LEU A 45 2.135 -9.353 2.650 1.00 3.03 H new ATOM 0 HD23 LEU A 45 1.291 -8.837 1.170 1.00 3.03 H new ATOM 568 N HIS A 46 -3.146 -9.083 3.431 1.00 13.40 N ATOM 569 CA HIS A 46 -4.122 -9.935 4.100 1.00 11.20 C ATOM 570 C HIS A 46 -4.558 -11.083 3.194 1.00 3.12 C ATOM 571 O HIS A 46 -4.467 -12.244 3.567 1.00 31.40 O ATOM 572 CB HIS A 46 -5.340 -9.115 4.524 1.00 63.40 C ATOM 573 CG HIS A 46 -5.961 -9.582 5.805 1.00 53.30 C ATOM 574 ND1 HIS A 46 -5.878 -8.872 6.984 1.00 11.00 N ATOM 575 CD2 HIS A 46 -6.679 -10.694 6.087 1.00 24.30 C ATOM 576 CE1 HIS A 46 -6.516 -9.529 7.937 1.00 25.30 C ATOM 577 NE2 HIS A 46 -7.012 -10.637 7.419 1.00 2.43 N ATOM 0 H HIS A 46 -3.437 -8.111 3.326 1.00 13.40 H new ATOM 0 HA HIS A 46 -3.649 -10.357 4.987 1.00 11.20 H new ATOM 0 HB2 HIS A 46 -5.045 -8.071 4.632 1.00 63.40 H new ATOM 0 HB3 HIS A 46 -6.088 -9.154 3.732 1.00 63.40 H new ATOM 0 HD2 HIS A 46 -6.941 -11.480 5.394 1.00 24.30 H new ATOM 0 HE1 HIS A 46 -6.615 -9.213 8.965 1.00 25.30 H new ATOM 0 HE2 HIS A 46 -7.554 -11.337 7.925 1.00 2.43 H new ATOM 586 N VAL A 47 -5.035 -10.742 2.001 1.00 31.10 N ATOM 587 CA VAL A 47 -5.486 -11.746 1.045 1.00 64.00 C ATOM 588 C VAL A 47 -4.341 -12.648 0.614 1.00 74.00 C ATOM 589 O VAL A 47 -4.541 -13.836 0.343 1.00 52.10 O ATOM 590 CB VAL A 47 -6.108 -11.096 -0.206 1.00 4.32 C ATOM 591 CG1 VAL A 47 -7.425 -10.419 0.143 1.00 72.20 C ATOM 592 CG2 VAL A 47 -5.140 -10.104 -0.831 1.00 42.40 C ATOM 0 H VAL A 47 -5.119 -9.779 1.674 1.00 31.10 H new ATOM 0 HA VAL A 47 -6.245 -12.342 1.552 1.00 64.00 H new ATOM 0 HB VAL A 47 -6.310 -11.879 -0.937 1.00 4.32 H new ATOM 0 HG11 VAL A 47 -7.850 -9.966 -0.753 1.00 72.20 H new ATOM 0 HG12 VAL A 47 -8.120 -11.159 0.540 1.00 72.20 H new ATOM 0 HG13 VAL A 47 -7.250 -9.647 0.892 1.00 72.20 H new ATOM 0 HG21 VAL A 47 -5.597 -9.656 -1.713 1.00 42.40 H new ATOM 0 HG22 VAL A 47 -4.902 -9.323 -0.109 1.00 42.40 H new ATOM 0 HG23 VAL A 47 -4.225 -10.621 -1.120 1.00 42.40 H new ATOM 602 N VAL A 48 -3.136 -12.090 0.557 1.00 54.40 N ATOM 603 CA VAL A 48 -1.957 -12.859 0.163 1.00 21.50 C ATOM 604 C VAL A 48 -1.679 -13.984 1.153 1.00 32.00 C ATOM 605 O VAL A 48 -1.241 -15.070 0.769 1.00 23.40 O ATOM 606 CB VAL A 48 -0.710 -11.959 0.058 1.00 23.30 C ATOM 607 CG1 VAL A 48 0.467 -12.739 -0.502 1.00 42.40 C ATOM 608 CG2 VAL A 48 -0.999 -10.736 -0.796 1.00 24.40 C ATOM 0 H VAL A 48 -2.949 -11.112 0.777 1.00 54.40 H new ATOM 0 HA VAL A 48 -2.170 -13.287 -0.817 1.00 21.50 H new ATOM 0 HB VAL A 48 -0.449 -11.619 1.060 1.00 23.30 H new ATOM 0 HG11 VAL A 48 1.337 -12.086 -0.568 1.00 42.40 H new ATOM 0 HG12 VAL A 48 0.693 -13.579 0.155 1.00 42.40 H new ATOM 0 HG13 VAL A 48 0.217 -13.112 -1.495 1.00 42.40 H new ATOM 0 HG21 VAL A 48 -0.105 -10.115 -0.856 1.00 24.40 H new ATOM 0 HG22 VAL A 48 -1.290 -11.052 -1.798 1.00 24.40 H new ATOM 0 HG23 VAL A 48 -1.810 -10.162 -0.347 1.00 24.40 H new ATOM 618 N LYS A 49 -1.931 -13.719 2.431 1.00 54.20 N ATOM 619 CA LYS A 49 -1.708 -14.707 3.476 1.00 62.20 C ATOM 620 C LYS A 49 -2.692 -15.866 3.352 1.00 22.40 C ATOM 621 O LYS A 49 -2.309 -17.027 3.439 1.00 72.40 O ATOM 622 CB LYS A 49 -1.837 -14.057 4.855 1.00 61.10 C ATOM 623 CG LYS A 49 -0.545 -13.435 5.360 1.00 21.10 C ATOM 624 CD LYS A 49 -0.807 -12.188 6.177 1.00 11.40 C ATOM 625 CE LYS A 49 0.242 -11.116 5.911 1.00 23.00 C ATOM 626 NZ LYS A 49 0.583 -10.356 7.145 1.00 42.30 N ATOM 0 H LYS A 49 -2.291 -12.825 2.767 1.00 54.20 H new ATOM 0 HA LYS A 49 -0.698 -15.101 3.359 1.00 62.20 H new ATOM 0 HB2 LYS A 49 -2.608 -13.288 4.814 1.00 61.10 H new ATOM 0 HB3 LYS A 49 -2.173 -14.807 5.571 1.00 61.10 H new ATOM 0 HG2 LYS A 49 -0.004 -14.161 5.967 1.00 21.10 H new ATOM 0 HG3 LYS A 49 0.095 -13.188 4.513 1.00 21.10 H new ATOM 0 HD2 LYS A 49 -1.796 -11.797 5.939 1.00 11.40 H new ATOM 0 HD3 LYS A 49 -0.810 -12.440 7.237 1.00 11.40 H new ATOM 0 HE2 LYS A 49 1.143 -11.581 5.510 1.00 23.00 H new ATOM 0 HE3 LYS A 49 -0.127 -10.428 5.151 1.00 23.00 H new ATOM 0 HZ1 LYS A 49 1.300 -9.636 6.922 1.00 42.30 H new ATOM 0 HZ2 LYS A 49 -0.271 -9.891 7.514 1.00 42.30 H new ATOM 0 HZ3 LYS A 49 0.959 -11.009 7.862 1.00 42.30 H new ATOM 640 N TYR A 50 -3.966 -15.532 3.149 1.00 3.03 N ATOM 641 CA TYR A 50 -5.005 -16.548 3.014 1.00 55.10 C ATOM 642 C TYR A 50 -5.450 -16.691 1.564 1.00 13.10 C ATOM 643 O TYR A 50 -6.595 -17.038 1.291 1.00 70.50 O ATOM 644 CB TYR A 50 -6.200 -16.207 3.900 1.00 13.00 C ATOM 645 CG TYR A 50 -5.834 -15.910 5.336 1.00 73.10 C ATOM 646 CD1 TYR A 50 -5.175 -14.737 5.681 1.00 51.40 C ATOM 647 CD2 TYR A 50 -6.140 -16.813 6.348 1.00 74.10 C ATOM 648 CE1 TYR A 50 -4.834 -14.469 6.993 1.00 60.30 C ATOM 649 CE2 TYR A 50 -5.803 -16.557 7.664 1.00 61.20 C ATOM 650 CZ TYR A 50 -5.151 -15.382 7.981 1.00 72.00 C ATOM 651 OH TYR A 50 -4.814 -15.118 9.288 1.00 24.00 O ATOM 0 H TYR A 50 -4.301 -14.571 3.075 1.00 3.03 H new ATOM 0 HA TYR A 50 -4.586 -17.501 3.336 1.00 55.10 H new ATOM 0 HB2 TYR A 50 -6.716 -15.343 3.481 1.00 13.00 H new ATOM 0 HB3 TYR A 50 -6.904 -17.039 3.880 1.00 13.00 H new ATOM 0 HD1 TYR A 50 -4.925 -14.022 4.911 1.00 51.40 H new ATOM 0 HD2 TYR A 50 -6.651 -17.732 6.101 1.00 74.10 H new ATOM 0 HE1 TYR A 50 -4.323 -13.552 7.245 1.00 60.30 H new ATOM 0 HE2 TYR A 50 -6.048 -17.270 8.437 1.00 61.20 H new ATOM 0 HH TYR A 50 -5.108 -15.859 9.858 1.00 24.00 H new ATOM 661 N GLU A 51 -4.541 -16.403 0.636 1.00 4.30 N ATOM 662 CA GLU A 51 -4.839 -16.497 -0.785 1.00 61.20 C ATOM 663 C GLU A 51 -3.627 -16.123 -1.628 1.00 30.30 C ATOM 664 O GLU A 51 -3.306 -14.944 -1.780 1.00 53.30 O ATOM 665 CB GLU A 51 -6.018 -15.589 -1.140 1.00 51.10 C ATOM 666 CG GLU A 51 -6.942 -16.175 -2.201 1.00 0.05 C ATOM 667 CD GLU A 51 -8.188 -16.798 -1.604 1.00 44.20 C ATOM 668 OE1 GLU A 51 -9.162 -16.059 -1.364 1.00 53.10 O ATOM 669 OE2 GLU A 51 -8.191 -18.030 -1.379 1.00 73.30 O ATOM 0 H GLU A 51 -3.590 -16.102 0.847 1.00 4.30 H new ATOM 0 HA GLU A 51 -5.102 -17.532 -1.004 1.00 61.20 H new ATOM 0 HB2 GLU A 51 -6.596 -15.388 -0.238 1.00 51.10 H new ATOM 0 HB3 GLU A 51 -5.635 -14.631 -1.493 1.00 51.10 H new ATOM 0 HG2 GLU A 51 -7.231 -15.390 -2.900 1.00 0.05 H new ATOM 0 HG3 GLU A 51 -6.401 -16.929 -2.773 1.00 0.05 H new ATOM 676 N ALA A 52 -2.955 -17.134 -2.174 1.00 31.50 N ATOM 677 CA ALA A 52 -1.776 -16.909 -3.000 1.00 24.30 C ATOM 678 C ALA A 52 -1.446 -18.137 -3.833 1.00 21.50 C ATOM 679 O ALA A 52 -0.587 -18.937 -3.465 1.00 75.40 O ATOM 680 CB ALA A 52 -0.588 -16.527 -2.130 1.00 73.50 C ATOM 0 H ALA A 52 -3.208 -18.115 -2.058 1.00 31.50 H new ATOM 0 HA ALA A 52 -1.994 -16.088 -3.682 1.00 24.30 H new ATOM 0 HB1 ALA A 52 0.286 -16.362 -2.760 1.00 73.50 H new ATOM 0 HB2 ALA A 52 -0.818 -15.614 -1.581 1.00 73.50 H new ATOM 0 HB3 ALA A 52 -0.380 -17.331 -1.425 1.00 73.50 H new ATOM 686 N GLN A 53 -2.131 -18.293 -4.957 1.00 51.40 N ATOM 687 CA GLN A 53 -1.914 -19.422 -5.846 1.00 0.11 C ATOM 688 C GLN A 53 -1.721 -18.963 -7.285 1.00 62.30 C ATOM 689 O GLN A 53 -2.649 -19.018 -8.093 1.00 14.40 O ATOM 690 CB GLN A 53 -3.091 -20.400 -5.762 1.00 5.21 C ATOM 691 CG GLN A 53 -3.544 -20.684 -4.340 1.00 62.20 C ATOM 692 CD GLN A 53 -4.314 -21.989 -4.227 1.00 33.20 C ATOM 693 OE1 GLN A 53 -4.741 -22.558 -5.227 1.00 45.20 O ATOM 694 NE2 GLN A 53 -4.490 -22.464 -3.000 1.00 10.40 N ATOM 0 H GLN A 53 -2.849 -17.643 -5.276 1.00 51.40 H new ATOM 0 HA GLN A 53 -1.004 -19.929 -5.525 1.00 0.11 H new ATOM 0 HB2 GLN A 53 -3.930 -19.995 -6.328 1.00 5.21 H new ATOM 0 HB3 GLN A 53 -2.808 -21.338 -6.239 1.00 5.21 H new ATOM 0 HG2 GLN A 53 -2.674 -20.721 -3.685 1.00 62.20 H new ATOM 0 HG3 GLN A 53 -4.171 -19.864 -3.991 1.00 62.20 H new ATOM 0 HE21 GLN A 53 -4.117 -21.956 -2.198 1.00 10.40 H new ATOM 0 HE22 GLN A 53 -4.998 -23.337 -2.859 1.00 10.40 H new ATOM 703 N GLY A 54 -0.514 -18.513 -7.603 1.00 51.40 N ATOM 704 CA GLY A 54 -0.221 -18.048 -8.944 1.00 65.00 C ATOM 705 C GLY A 54 0.949 -17.081 -8.979 1.00 3.24 C ATOM 706 O GLY A 54 1.174 -16.336 -8.030 1.00 65.10 O ATOM 0 H GLY A 54 0.270 -18.462 -6.953 1.00 51.40 H new ATOM 0 HA2 GLY A 54 -0.001 -18.904 -9.582 1.00 65.00 H new ATOM 0 HA3 GLY A 54 -1.104 -17.561 -9.358 1.00 65.00 H new ATOM 710 N ASP A 55 1.685 -17.086 -10.086 1.00 13.00 N ATOM 711 CA ASP A 55 2.836 -16.202 -10.244 1.00 21.40 C ATOM 712 C ASP A 55 2.403 -14.837 -10.753 1.00 21.30 C ATOM 713 O ASP A 55 2.994 -13.820 -10.414 1.00 14.20 O ATOM 714 CB ASP A 55 3.848 -16.826 -11.209 1.00 65.10 C ATOM 715 CG ASP A 55 4.718 -17.863 -10.541 1.00 53.40 C ATOM 716 OD1 ASP A 55 5.501 -17.498 -9.639 1.00 45.20 O ATOM 717 OD2 ASP A 55 4.626 -19.049 -10.914 1.00 71.40 O ATOM 0 H ASP A 55 1.506 -17.692 -10.887 1.00 13.00 H new ATOM 0 HA ASP A 55 3.305 -16.071 -9.269 1.00 21.40 H new ATOM 0 HB2 ASP A 55 3.316 -17.285 -12.042 1.00 65.10 H new ATOM 0 HB3 ASP A 55 4.479 -16.041 -11.627 1.00 65.10 H new ATOM 722 N LYS A 56 1.353 -14.821 -11.583 1.00 20.50 N ATOM 723 CA LYS A 56 0.841 -13.572 -12.139 1.00 62.10 C ATOM 724 C LYS A 56 0.180 -12.730 -11.059 1.00 22.10 C ATOM 725 O LYS A 56 0.536 -11.563 -10.864 1.00 4.30 O ATOM 726 CB LYS A 56 -0.158 -13.870 -13.255 1.00 60.00 C ATOM 727 CG LYS A 56 -0.107 -12.872 -14.401 1.00 75.10 C ATOM 728 CD LYS A 56 -1.475 -12.663 -15.023 1.00 23.30 C ATOM 729 CE LYS A 56 -1.686 -11.218 -15.441 1.00 32.40 C ATOM 730 NZ LYS A 56 -0.762 -10.816 -16.538 1.00 14.50 N ATOM 0 H LYS A 56 0.847 -15.655 -11.880 1.00 20.50 H new ATOM 0 HA LYS A 56 1.679 -13.008 -12.548 1.00 62.10 H new ATOM 0 HB2 LYS A 56 0.034 -14.869 -13.646 1.00 60.00 H new ATOM 0 HB3 LYS A 56 -1.165 -13.879 -12.837 1.00 60.00 H new ATOM 0 HG2 LYS A 56 0.277 -11.919 -14.037 1.00 75.10 H new ATOM 0 HG3 LYS A 56 0.589 -13.226 -15.162 1.00 75.10 H new ATOM 0 HD2 LYS A 56 -1.583 -13.313 -15.891 1.00 23.30 H new ATOM 0 HD3 LYS A 56 -2.247 -12.952 -14.310 1.00 23.30 H new ATOM 0 HE2 LYS A 56 -2.717 -11.081 -15.767 1.00 32.40 H new ATOM 0 HE3 LYS A 56 -1.534 -10.566 -14.581 1.00 32.40 H new ATOM 0 HZ1 LYS A 56 -0.938 -9.824 -16.794 1.00 14.50 H new ATOM 0 HZ2 LYS A 56 0.222 -10.922 -16.219 1.00 14.50 H new ATOM 0 HZ3 LYS A 56 -0.924 -11.422 -17.368 1.00 14.50 H new ATOM 744 N ALA A 57 -0.777 -13.320 -10.352 1.00 1.53 N ATOM 745 CA ALA A 57 -1.487 -12.618 -9.289 1.00 54.10 C ATOM 746 C ALA A 57 -0.533 -12.181 -8.188 1.00 73.30 C ATOM 747 O ALA A 57 -0.621 -11.062 -7.685 1.00 63.40 O ATOM 748 CB ALA A 57 -2.589 -13.501 -8.719 1.00 62.40 C ATOM 0 H ALA A 57 -1.079 -14.283 -10.496 1.00 1.53 H new ATOM 0 HA ALA A 57 -1.939 -11.723 -9.716 1.00 54.10 H new ATOM 0 HB1 ALA A 57 -3.111 -12.965 -7.926 1.00 62.40 H new ATOM 0 HB2 ALA A 57 -3.295 -13.758 -9.509 1.00 62.40 H new ATOM 0 HB3 ALA A 57 -2.151 -14.413 -8.313 1.00 62.40 H new ATOM 754 N LYS A 58 0.379 -13.064 -7.819 1.00 22.20 N ATOM 755 CA LYS A 58 1.353 -12.769 -6.775 1.00 51.30 C ATOM 756 C LYS A 58 2.212 -11.572 -7.150 1.00 51.50 C ATOM 757 O LYS A 58 2.647 -10.811 -6.286 1.00 24.40 O ATOM 758 CB LYS A 58 2.248 -13.990 -6.522 1.00 21.30 C ATOM 759 CG LYS A 58 1.690 -14.943 -5.484 1.00 22.40 C ATOM 760 CD LYS A 58 2.479 -16.245 -5.447 1.00 74.20 C ATOM 761 CE LYS A 58 2.637 -16.759 -4.026 1.00 61.20 C ATOM 762 NZ LYS A 58 2.542 -18.249 -3.957 1.00 2.32 N ATOM 0 H LYS A 58 0.468 -13.995 -8.227 1.00 22.20 H new ATOM 0 HA LYS A 58 0.805 -12.529 -5.864 1.00 51.30 H new ATOM 0 HB2 LYS A 58 2.389 -14.528 -7.459 1.00 21.30 H new ATOM 0 HB3 LYS A 58 3.232 -13.649 -6.199 1.00 21.30 H new ATOM 0 HG2 LYS A 58 1.717 -14.471 -4.502 1.00 22.40 H new ATOM 0 HG3 LYS A 58 0.644 -15.155 -5.707 1.00 22.40 H new ATOM 0 HD2 LYS A 58 1.972 -16.996 -6.053 1.00 74.20 H new ATOM 0 HD3 LYS A 58 3.463 -16.089 -5.890 1.00 74.20 H new ATOM 0 HE2 LYS A 58 3.600 -16.438 -3.629 1.00 61.20 H new ATOM 0 HE3 LYS A 58 1.868 -16.317 -3.393 1.00 61.20 H new ATOM 0 HZ1 LYS A 58 3.121 -18.598 -3.167 1.00 2.32 H new ATOM 0 HZ2 LYS A 58 1.551 -18.527 -3.809 1.00 2.32 H new ATOM 0 HZ3 LYS A 58 2.888 -18.660 -4.847 1.00 2.32 H new ATOM 776 N GLN A 59 2.451 -11.406 -8.447 1.00 32.30 N ATOM 777 CA GLN A 59 3.256 -10.294 -8.939 1.00 55.40 C ATOM 778 C GLN A 59 2.488 -8.980 -8.842 1.00 40.20 C ATOM 779 O GLN A 59 3.040 -7.956 -8.440 1.00 3.13 O ATOM 780 CB GLN A 59 3.678 -10.545 -10.389 1.00 30.20 C ATOM 781 CG GLN A 59 4.951 -9.817 -10.786 1.00 45.50 C ATOM 782 CD GLN A 59 6.195 -10.631 -10.503 1.00 64.40 C ATOM 783 OE1 GLN A 59 6.127 -11.842 -10.301 1.00 65.20 O ATOM 784 NE2 GLN A 59 7.345 -9.966 -10.493 1.00 71.00 N ATOM 0 H GLN A 59 2.099 -12.027 -9.176 1.00 32.30 H new ATOM 0 HA GLN A 59 4.147 -10.220 -8.315 1.00 55.40 H new ATOM 0 HB2 GLN A 59 3.820 -11.615 -10.537 1.00 30.20 H new ATOM 0 HB3 GLN A 59 2.870 -10.236 -11.053 1.00 30.20 H new ATOM 0 HG2 GLN A 59 4.912 -9.576 -11.848 1.00 45.50 H new ATOM 0 HG3 GLN A 59 5.009 -8.872 -10.247 1.00 45.50 H new ATOM 0 HE21 GLN A 59 7.354 -8.961 -10.666 1.00 71.00 H new ATOM 0 HE22 GLN A 59 8.219 -10.461 -10.313 1.00 71.00 H new ATOM 793 N SER A 60 1.212 -9.017 -9.210 1.00 10.20 N ATOM 794 CA SER A 60 0.368 -7.828 -9.163 1.00 15.30 C ATOM 795 C SER A 60 0.273 -7.283 -7.742 1.00 53.10 C ATOM 796 O SER A 60 0.567 -6.112 -7.495 1.00 64.40 O ATOM 797 CB SER A 60 -1.030 -8.149 -9.693 1.00 74.10 C ATOM 798 OG SER A 60 -1.667 -9.129 -8.891 1.00 33.00 O ATOM 0 H SER A 60 0.739 -9.857 -9.544 1.00 10.20 H new ATOM 0 HA SER A 60 0.823 -7.065 -9.795 1.00 15.30 H new ATOM 0 HB2 SER A 60 -1.633 -7.241 -9.711 1.00 74.10 H new ATOM 0 HB3 SER A 60 -0.960 -8.505 -10.721 1.00 74.10 H new ATOM 0 HG SER A 60 -1.015 -9.813 -8.631 1.00 33.00 H new ATOM 804 N ILE A 61 -0.137 -8.138 -6.812 1.00 20.10 N ATOM 805 CA ILE A 61 -0.272 -7.741 -5.415 1.00 74.40 C ATOM 806 C ILE A 61 1.057 -7.245 -4.853 1.00 3.02 C ATOM 807 O ILE A 61 1.103 -6.252 -4.129 1.00 21.30 O ATOM 808 CB ILE A 61 -0.781 -8.907 -4.545 1.00 25.30 C ATOM 809 CG1 ILE A 61 0.146 -10.117 -4.680 1.00 52.00 C ATOM 810 CG2 ILE A 61 -2.205 -9.273 -4.937 1.00 3.32 C ATOM 811 CD1 ILE A 61 -0.335 -11.339 -3.928 1.00 1.53 C ATOM 0 H ILE A 61 -0.382 -9.110 -7.000 1.00 20.10 H new ATOM 0 HA ILE A 61 -1.001 -6.931 -5.386 1.00 74.40 H new ATOM 0 HB ILE A 61 -0.781 -8.592 -3.501 1.00 25.30 H new ATOM 0 HG12 ILE A 61 0.249 -10.368 -5.736 1.00 52.00 H new ATOM 0 HG13 ILE A 61 1.138 -9.846 -4.318 1.00 52.00 H new ATOM 0 HG21 ILE A 61 -2.553 -10.098 -4.315 1.00 3.32 H new ATOM 0 HG22 ILE A 61 -2.855 -8.410 -4.793 1.00 3.32 H new ATOM 0 HG23 ILE A 61 -2.228 -9.573 -5.985 1.00 3.32 H new ATOM 0 HD11 ILE A 61 0.373 -12.156 -4.070 1.00 1.53 H new ATOM 0 HD12 ILE A 61 -0.411 -11.106 -2.866 1.00 1.53 H new ATOM 0 HD13 ILE A 61 -1.313 -11.637 -4.305 1.00 1.53 H new ATOM 823 N ARG A 62 2.136 -7.943 -5.194 1.00 11.10 N ATOM 824 CA ARG A 62 3.465 -7.571 -4.724 1.00 43.30 C ATOM 825 C ARG A 62 3.896 -6.233 -5.317 1.00 63.10 C ATOM 826 O ARG A 62 4.262 -5.309 -4.591 1.00 72.50 O ATOM 827 CB ARG A 62 4.481 -8.656 -5.088 1.00 21.20 C ATOM 828 CG ARG A 62 4.687 -9.689 -3.991 1.00 62.10 C ATOM 829 CD ARG A 62 6.161 -9.921 -3.721 1.00 4.31 C ATOM 830 NE ARG A 62 6.686 -11.052 -4.492 1.00 0.42 N ATOM 831 CZ ARG A 62 7.977 -11.234 -4.751 1.00 41.30 C ATOM 832 NH1 ARG A 62 8.884 -10.381 -4.296 1.00 43.00 N ATOM 833 NH2 ARG A 62 8.368 -12.289 -5.462 1.00 2.15 N ATOM 0 H ARG A 62 2.116 -8.768 -5.793 1.00 11.10 H new ATOM 0 HA ARG A 62 3.425 -7.471 -3.639 1.00 43.30 H new ATOM 0 HB2 ARG A 62 4.150 -9.162 -5.995 1.00 21.20 H new ATOM 0 HB3 ARG A 62 5.437 -8.185 -5.316 1.00 21.20 H new ATOM 0 HG2 ARG A 62 4.196 -9.355 -3.077 1.00 62.10 H new ATOM 0 HG3 ARG A 62 4.216 -10.628 -4.280 1.00 62.10 H new ATOM 0 HD2 ARG A 62 6.722 -9.020 -3.970 1.00 4.31 H new ATOM 0 HD3 ARG A 62 6.311 -10.106 -2.657 1.00 4.31 H new ATOM 0 HE ARG A 62 6.022 -11.739 -4.850 1.00 0.42 H new ATOM 0 HH11 ARG A 62 8.594 -9.576 -3.741 1.00 43.00 H new ATOM 0 HH12 ARG A 62 9.872 -10.530 -4.501 1.00 43.00 H new ATOM 0 HH21 ARG A 62 7.678 -12.956 -5.807 1.00 2.15 H new ATOM 0 HH22 ARG A 62 9.358 -12.431 -5.662 1.00 2.15 H new ATOM 847 N ALA A 63 3.849 -6.138 -6.642 1.00 75.50 N ATOM 848 CA ALA A 63 4.232 -4.913 -7.332 1.00 41.10 C ATOM 849 C ALA A 63 3.344 -3.746 -6.913 1.00 31.20 C ATOM 850 O ALA A 63 3.777 -2.594 -6.906 1.00 62.00 O ATOM 851 CB ALA A 63 4.166 -5.114 -8.839 1.00 42.20 C ATOM 0 H ALA A 63 3.550 -6.894 -7.258 1.00 75.50 H new ATOM 0 HA ALA A 63 5.258 -4.673 -7.053 1.00 41.10 H new ATOM 0 HB1 ALA A 63 4.455 -4.191 -9.342 1.00 42.20 H new ATOM 0 HB2 ALA A 63 4.847 -5.914 -9.130 1.00 42.20 H new ATOM 0 HB3 ALA A 63 3.149 -5.381 -9.126 1.00 42.20 H new ATOM 857 N LYS A 64 2.098 -4.054 -6.565 1.00 34.30 N ATOM 858 CA LYS A 64 1.149 -3.032 -6.143 1.00 20.40 C ATOM 859 C LYS A 64 1.445 -2.565 -4.722 1.00 11.10 C ATOM 860 O LYS A 64 1.365 -1.376 -4.418 1.00 53.10 O ATOM 861 CB LYS A 64 -0.282 -3.569 -6.228 1.00 42.20 C ATOM 862 CG LYS A 64 -0.884 -3.478 -7.621 1.00 45.10 C ATOM 863 CD LYS A 64 -2.396 -3.630 -7.585 1.00 21.50 C ATOM 864 CE LYS A 64 -2.969 -3.835 -8.978 1.00 43.30 C ATOM 865 NZ LYS A 64 -2.976 -2.572 -9.767 1.00 45.10 N ATOM 0 H LYS A 64 1.723 -5.003 -6.567 1.00 34.30 H new ATOM 0 HA LYS A 64 1.251 -2.179 -6.814 1.00 20.40 H new ATOM 0 HB2 LYS A 64 -0.290 -4.610 -5.905 1.00 42.20 H new ATOM 0 HB3 LYS A 64 -0.911 -3.014 -5.532 1.00 42.20 H new ATOM 0 HG2 LYS A 64 -0.624 -2.519 -8.069 1.00 45.10 H new ATOM 0 HG3 LYS A 64 -0.454 -4.253 -8.256 1.00 45.10 H new ATOM 0 HD2 LYS A 64 -2.663 -4.477 -6.953 1.00 21.50 H new ATOM 0 HD3 LYS A 64 -2.841 -2.743 -7.134 1.00 21.50 H new ATOM 0 HE2 LYS A 64 -2.383 -4.589 -9.504 1.00 43.30 H new ATOM 0 HE3 LYS A 64 -3.986 -4.220 -8.899 1.00 43.30 H new ATOM 0 HZ1 LYS A 64 -3.374 -2.754 -10.710 1.00 45.10 H new ATOM 0 HZ2 LYS A 64 -3.556 -1.860 -9.278 1.00 45.10 H new ATOM 0 HZ3 LYS A 64 -2.003 -2.218 -9.864 1.00 45.10 H new ATOM 879 N CYS A 65 1.789 -3.512 -3.854 1.00 11.40 N ATOM 880 CA CYS A 65 2.098 -3.197 -2.464 1.00 64.30 C ATOM 881 C CYS A 65 3.314 -2.280 -2.371 1.00 15.10 C ATOM 882 O CYS A 65 3.352 -1.366 -1.547 1.00 52.30 O ATOM 883 CB CYS A 65 2.352 -4.481 -1.672 1.00 33.40 C ATOM 884 SG CYS A 65 0.861 -5.443 -1.328 1.00 23.20 S ATOM 0 H CYS A 65 1.861 -4.502 -4.089 1.00 11.40 H new ATOM 0 HA CYS A 65 1.240 -2.678 -2.036 1.00 64.30 H new ATOM 0 HB2 CYS A 65 3.054 -5.104 -2.226 1.00 33.40 H new ATOM 0 HB3 CYS A 65 2.831 -4.224 -0.728 1.00 33.40 H new ATOM 0 HG CYS A 65 0.499 -6.081 -2.401 1.00 23.20 H new ATOM 890 N THR A 66 4.303 -2.530 -3.221 1.00 64.20 N ATOM 891 CA THR A 66 5.520 -1.727 -3.236 1.00 74.40 C ATOM 892 C THR A 66 5.274 -0.378 -3.905 1.00 52.20 C ATOM 893 O THR A 66 5.864 0.632 -3.524 1.00 3.30 O ATOM 894 CB THR A 66 6.640 -2.473 -3.962 1.00 13.10 C ATOM 895 OG1 THR A 66 6.560 -3.864 -3.712 1.00 72.30 O ATOM 896 CG2 THR A 66 8.025 -2.013 -3.560 1.00 34.40 C ATOM 0 H THR A 66 4.286 -3.283 -3.909 1.00 64.20 H new ATOM 0 HA THR A 66 5.821 -1.550 -2.203 1.00 74.40 H new ATOM 0 HB THR A 66 6.495 -2.253 -5.020 1.00 13.10 H new ATOM 0 HG1 THR A 66 5.802 -4.242 -4.204 1.00 72.30 H new ATOM 0 HG21 THR A 66 8.772 -2.583 -4.112 1.00 34.40 H new ATOM 0 HG22 THR A 66 8.136 -0.953 -3.787 1.00 34.40 H new ATOM 0 HG23 THR A 66 8.165 -2.172 -2.491 1.00 34.40 H new ATOM 904 N GLU A 67 4.399 -0.371 -4.906 1.00 55.40 N ATOM 905 CA GLU A 67 4.075 0.854 -5.629 1.00 62.40 C ATOM 906 C GLU A 67 3.488 1.902 -4.688 1.00 72.30 C ATOM 907 O GLU A 67 3.963 3.036 -4.633 1.00 5.51 O ATOM 908 CB GLU A 67 3.089 0.557 -6.760 1.00 32.30 C ATOM 909 CG GLU A 67 3.120 1.585 -7.879 1.00 64.40 C ATOM 910 CD GLU A 67 4.118 1.233 -8.965 1.00 20.50 C ATOM 911 OE1 GLU A 67 4.126 0.065 -9.408 1.00 74.10 O ATOM 912 OE2 GLU A 67 4.892 2.125 -9.372 1.00 50.50 O ATOM 0 H GLU A 67 3.902 -1.199 -5.235 1.00 55.40 H new ATOM 0 HA GLU A 67 4.997 1.250 -6.055 1.00 62.40 H new ATOM 0 HB2 GLU A 67 3.310 -0.426 -7.175 1.00 32.30 H new ATOM 0 HB3 GLU A 67 2.081 0.510 -6.349 1.00 32.30 H new ATOM 0 HG2 GLU A 67 2.126 1.670 -8.318 1.00 64.40 H new ATOM 0 HG3 GLU A 67 3.369 2.561 -7.464 1.00 64.40 H new ATOM 919 N TYR A 68 2.454 1.514 -3.950 1.00 40.40 N ATOM 920 CA TYR A 68 1.802 2.419 -3.011 1.00 32.00 C ATOM 921 C TYR A 68 2.732 2.761 -1.850 1.00 63.10 C ATOM 922 O TYR A 68 2.670 3.859 -1.296 1.00 75.30 O ATOM 923 CB TYR A 68 0.512 1.794 -2.478 1.00 2.23 C ATOM 924 CG TYR A 68 -0.480 1.436 -3.563 1.00 5.44 C ATOM 925 CD1 TYR A 68 -0.858 2.368 -4.520 1.00 61.30 C ATOM 926 CD2 TYR A 68 -1.037 0.165 -3.628 1.00 12.20 C ATOM 927 CE1 TYR A 68 -1.764 2.045 -5.512 1.00 40.30 C ATOM 928 CE2 TYR A 68 -1.944 -0.166 -4.617 1.00 13.20 C ATOM 929 CZ TYR A 68 -2.303 0.777 -5.556 1.00 74.40 C ATOM 930 OH TYR A 68 -3.205 0.451 -6.543 1.00 1.34 O ATOM 0 H TYR A 68 2.049 0.578 -3.984 1.00 40.40 H new ATOM 0 HA TYR A 68 1.559 3.339 -3.542 1.00 32.00 H new ATOM 0 HB2 TYR A 68 0.760 0.896 -1.913 1.00 2.23 H new ATOM 0 HB3 TYR A 68 0.042 2.489 -1.782 1.00 2.23 H new ATOM 0 HD1 TYR A 68 -0.437 3.362 -4.489 1.00 61.30 H new ATOM 0 HD2 TYR A 68 -0.757 -0.576 -2.894 1.00 12.20 H new ATOM 0 HE1 TYR A 68 -2.048 2.782 -6.249 1.00 40.30 H new ATOM 0 HE2 TYR A 68 -2.369 -1.158 -4.654 1.00 13.20 H new ATOM 0 HH TYR A 68 -3.488 -0.481 -6.433 1.00 1.34 H new ATOM 940 N LEU A 69 3.591 1.815 -1.488 1.00 21.10 N ATOM 941 CA LEU A 69 4.533 2.015 -0.394 1.00 40.40 C ATOM 942 C LEU A 69 5.556 3.090 -0.747 1.00 30.40 C ATOM 943 O LEU A 69 5.850 3.971 0.062 1.00 54.10 O ATOM 944 CB LEU A 69 5.249 0.704 -0.062 1.00 73.50 C ATOM 945 CG LEU A 69 4.465 -0.251 0.840 1.00 1.50 C ATOM 946 CD1 LEU A 69 5.106 -1.630 0.841 1.00 10.20 C ATOM 947 CD2 LEU A 69 4.381 0.302 2.255 1.00 3.24 C ATOM 0 H LEU A 69 3.654 0.901 -1.937 1.00 21.10 H new ATOM 0 HA LEU A 69 3.971 2.345 0.480 1.00 40.40 H new ATOM 0 HB2 LEU A 69 5.483 0.189 -0.994 1.00 73.50 H new ATOM 0 HB3 LEU A 69 6.198 0.938 0.420 1.00 73.50 H new ATOM 0 HG LEU A 69 3.453 -0.344 0.447 1.00 1.50 H new ATOM 0 HD11 LEU A 69 4.535 -2.296 1.488 1.00 10.20 H new ATOM 0 HD12 LEU A 69 5.114 -2.028 -0.174 1.00 10.20 H new ATOM 0 HD13 LEU A 69 6.129 -1.555 1.209 1.00 10.20 H new ATOM 0 HD21 LEU A 69 3.820 -0.390 2.883 1.00 3.24 H new ATOM 0 HD22 LEU A 69 5.386 0.425 2.658 1.00 3.24 H new ATOM 0 HD23 LEU A 69 3.876 1.268 2.239 1.00 3.24 H new ATOM 959 N ASP A 70 6.094 3.013 -1.960 1.00 73.30 N ATOM 960 CA ASP A 70 7.083 3.980 -2.420 1.00 62.40 C ATOM 961 C ASP A 70 6.507 5.391 -2.420 1.00 32.20 C ATOM 962 O ASP A 70 7.186 6.351 -2.056 1.00 35.30 O ATOM 963 CB ASP A 70 7.569 3.614 -3.824 1.00 32.50 C ATOM 964 CG ASP A 70 8.911 4.240 -4.153 1.00 24.40 C ATOM 965 OD1 ASP A 70 9.898 3.931 -3.453 1.00 40.10 O ATOM 966 OD2 ASP A 70 8.974 5.038 -5.111 1.00 55.00 O ATOM 0 H ASP A 70 5.861 2.291 -2.642 1.00 73.30 H new ATOM 0 HA ASP A 70 7.928 3.953 -1.732 1.00 62.40 H new ATOM 0 HB2 ASP A 70 7.647 2.530 -3.908 1.00 32.50 H new ATOM 0 HB3 ASP A 70 6.830 3.938 -4.557 1.00 32.50 H new ATOM 971 N ARG A 71 5.248 5.510 -2.831 1.00 50.20 N ATOM 972 CA ARG A 71 4.579 6.804 -2.879 1.00 14.00 C ATOM 973 C ARG A 71 4.314 7.333 -1.472 1.00 44.50 C ATOM 974 O ARG A 71 4.552 8.506 -1.185 1.00 60.00 O ATOM 975 CB ARG A 71 3.262 6.694 -3.650 1.00 72.50 C ATOM 976 CG ARG A 71 2.933 7.929 -4.473 1.00 51.10 C ATOM 977 CD ARG A 71 1.510 7.880 -5.006 1.00 74.10 C ATOM 978 NE ARG A 71 1.341 8.714 -6.193 1.00 2.41 N ATOM 979 CZ ARG A 71 1.733 8.356 -7.414 1.00 63.30 C ATOM 980 NH1 ARG A 71 2.316 7.179 -7.612 1.00 73.20 N ATOM 981 NH2 ARG A 71 1.542 9.175 -8.439 1.00 41.10 N ATOM 0 H ARG A 71 4.671 4.726 -3.135 1.00 50.20 H new ATOM 0 HA ARG A 71 5.236 7.504 -3.394 1.00 14.00 H new ATOM 0 HB2 ARG A 71 3.309 5.829 -4.311 1.00 72.50 H new ATOM 0 HB3 ARG A 71 2.452 6.512 -2.944 1.00 72.50 H new ATOM 0 HG2 ARG A 71 3.063 8.821 -3.860 1.00 51.10 H new ATOM 0 HG3 ARG A 71 3.632 8.010 -5.305 1.00 51.10 H new ATOM 0 HD2 ARG A 71 1.248 6.850 -5.247 1.00 74.10 H new ATOM 0 HD3 ARG A 71 0.820 8.211 -4.229 1.00 74.10 H new ATOM 0 HE ARG A 71 0.896 9.625 -6.080 1.00 2.41 H new ATOM 0 HH11 ARG A 71 2.465 6.545 -6.827 1.00 73.20 H new ATOM 0 HH12 ARG A 71 2.615 6.909 -8.549 1.00 73.20 H new ATOM 0 HH21 ARG A 71 1.095 10.080 -8.292 1.00 41.10 H new ATOM 0 HH22 ARG A 71 1.843 8.900 -9.374 1.00 41.10 H new ATOM 995 N ALA A 72 3.822 6.460 -0.600 1.00 11.10 N ATOM 996 CA ALA A 72 3.525 6.838 0.776 1.00 11.30 C ATOM 997 C ALA A 72 4.772 7.355 1.485 1.00 42.10 C ATOM 998 O ALA A 72 4.743 8.406 2.125 1.00 70.10 O ATOM 999 CB ALA A 72 2.939 5.655 1.532 1.00 14.50 C ATOM 0 H ALA A 72 3.620 5.485 -0.822 1.00 11.10 H new ATOM 0 HA ALA A 72 2.791 7.643 0.755 1.00 11.30 H new ATOM 0 HB1 ALA A 72 2.722 5.951 2.558 1.00 14.50 H new ATOM 0 HB2 ALA A 72 2.019 5.332 1.045 1.00 14.50 H new ATOM 0 HB3 ALA A 72 3.656 4.834 1.535 1.00 14.50 H new ATOM 1005 N GLU A 73 5.867 6.611 1.366 1.00 52.40 N ATOM 1006 CA GLU A 73 7.124 6.996 1.996 1.00 21.10 C ATOM 1007 C GLU A 73 7.600 8.350 1.477 1.00 21.20 C ATOM 1008 O GLU A 73 8.214 9.125 2.211 1.00 12.10 O ATOM 1009 CB GLU A 73 8.194 5.933 1.738 1.00 63.30 C ATOM 1010 CG GLU A 73 8.520 5.743 0.265 1.00 23.20 C ATOM 1011 CD GLU A 73 9.806 4.970 0.048 1.00 74.10 C ATOM 1012 OE1 GLU A 73 9.766 3.723 0.108 1.00 10.00 O ATOM 1013 OE2 GLU A 73 10.852 5.611 -0.182 1.00 73.30 O ATOM 0 H GLU A 73 5.909 5.739 0.839 1.00 52.40 H new ATOM 0 HA GLU A 73 6.954 7.078 3.070 1.00 21.10 H new ATOM 0 HB2 GLU A 73 9.104 6.209 2.270 1.00 63.30 H new ATOM 0 HB3 GLU A 73 7.858 4.983 2.153 1.00 63.30 H new ATOM 0 HG2 GLU A 73 7.698 5.217 -0.220 1.00 23.20 H new ATOM 0 HG3 GLU A 73 8.601 6.719 -0.214 1.00 23.20 H new ATOM 1020 N LYS A 74 7.309 8.627 0.211 1.00 24.00 N ATOM 1021 CA LYS A 74 7.706 9.888 -0.405 1.00 51.30 C ATOM 1022 C LYS A 74 6.894 11.049 0.160 1.00 45.50 C ATOM 1023 O LYS A 74 7.383 12.174 0.256 1.00 53.40 O ATOM 1024 CB LYS A 74 7.527 9.817 -1.923 1.00 33.10 C ATOM 1025 CG LYS A 74 8.595 10.573 -2.696 1.00 2.14 C ATOM 1026 CD LYS A 74 9.774 9.678 -3.038 1.00 73.00 C ATOM 1027 CE LYS A 74 10.555 9.285 -1.793 1.00 11.20 C ATOM 1028 NZ LYS A 74 11.781 8.509 -2.127 1.00 71.40 N ATOM 0 H LYS A 74 6.800 7.996 -0.408 1.00 24.00 H new ATOM 0 HA LYS A 74 8.758 10.059 -0.177 1.00 51.30 H new ATOM 0 HB2 LYS A 74 7.536 8.772 -2.233 1.00 33.10 H new ATOM 0 HB3 LYS A 74 6.548 10.218 -2.184 1.00 33.10 H new ATOM 0 HG2 LYS A 74 8.165 10.976 -3.613 1.00 2.14 H new ATOM 0 HG3 LYS A 74 8.940 11.422 -2.106 1.00 2.14 H new ATOM 0 HD2 LYS A 74 9.416 8.781 -3.543 1.00 73.00 H new ATOM 0 HD3 LYS A 74 10.434 10.194 -3.735 1.00 73.00 H new ATOM 0 HE2 LYS A 74 10.833 10.183 -1.241 1.00 11.20 H new ATOM 0 HE3 LYS A 74 9.918 8.692 -1.137 1.00 11.20 H new ATOM 0 HZ1 LYS A 74 12.284 8.261 -1.251 1.00 71.40 H new ATOM 0 HZ2 LYS A 74 11.515 7.639 -2.632 1.00 71.40 H new ATOM 0 HZ3 LYS A 74 12.402 9.084 -2.732 1.00 71.40 H new ATOM 1042 N LEU A 75 5.650 10.765 0.535 1.00 32.30 N ATOM 1043 CA LEU A 75 4.769 11.784 1.092 1.00 52.30 C ATOM 1044 C LEU A 75 5.211 12.175 2.499 1.00 11.00 C ATOM 1045 O LEU A 75 5.258 13.356 2.841 1.00 31.20 O ATOM 1046 CB LEU A 75 3.324 11.279 1.119 1.00 71.20 C ATOM 1047 CG LEU A 75 2.496 11.618 -0.121 1.00 53.20 C ATOM 1048 CD1 LEU A 75 3.184 11.111 -1.379 1.00 61.00 C ATOM 1049 CD2 LEU A 75 1.098 11.031 -0.004 1.00 52.00 C ATOM 0 H LEU A 75 5.230 9.838 0.463 1.00 32.30 H new ATOM 0 HA LEU A 75 4.826 12.667 0.455 1.00 52.30 H new ATOM 0 HB2 LEU A 75 3.336 10.196 1.244 1.00 71.20 H new ATOM 0 HB3 LEU A 75 2.826 11.696 1.995 1.00 71.20 H new ATOM 0 HG LEU A 75 2.410 12.702 -0.191 1.00 53.20 H new ATOM 0 HD11 LEU A 75 2.579 11.362 -2.251 1.00 61.00 H new ATOM 0 HD12 LEU A 75 4.165 11.578 -1.471 1.00 61.00 H new ATOM 0 HD13 LEU A 75 3.302 10.029 -1.318 1.00 61.00 H new ATOM 0 HD21 LEU A 75 0.522 11.282 -0.895 1.00 52.00 H new ATOM 0 HD22 LEU A 75 1.165 9.947 0.091 1.00 52.00 H new ATOM 0 HD23 LEU A 75 0.603 11.443 0.876 1.00 52.00 H new ATOM 1061 N LYS A 76 5.534 11.173 3.311 1.00 54.20 N ATOM 1062 CA LYS A 76 5.973 11.412 4.682 1.00 10.30 C ATOM 1063 C LYS A 76 7.236 12.268 4.707 1.00 52.50 C ATOM 1064 O LYS A 76 7.403 13.120 5.580 1.00 53.20 O ATOM 1065 CB LYS A 76 6.229 10.084 5.396 1.00 24.20 C ATOM 1066 CG LYS A 76 5.849 10.102 6.868 1.00 11.50 C ATOM 1067 CD LYS A 76 6.724 9.159 7.680 1.00 63.50 C ATOM 1068 CE LYS A 76 8.145 9.683 7.799 1.00 50.30 C ATOM 1069 NZ LYS A 76 8.732 9.400 9.138 1.00 5.13 N ATOM 0 H LYS A 76 5.500 10.189 3.044 1.00 54.20 H new ATOM 0 HA LYS A 76 5.181 11.950 5.203 1.00 10.30 H new ATOM 0 HB2 LYS A 76 5.667 9.297 4.894 1.00 24.20 H new ATOM 0 HB3 LYS A 76 7.285 9.830 5.305 1.00 24.20 H new ATOM 0 HG2 LYS A 76 5.945 11.115 7.257 1.00 11.50 H new ATOM 0 HG3 LYS A 76 4.803 9.816 6.979 1.00 11.50 H new ATOM 0 HD2 LYS A 76 6.298 9.031 8.675 1.00 63.50 H new ATOM 0 HD3 LYS A 76 6.736 8.176 7.210 1.00 63.50 H new ATOM 0 HE2 LYS A 76 8.765 9.228 7.027 1.00 50.30 H new ATOM 0 HE3 LYS A 76 8.151 10.758 7.620 1.00 50.30 H new ATOM 0 HZ1 LYS A 76 9.702 9.774 9.178 1.00 5.13 H new ATOM 0 HZ2 LYS A 76 8.155 9.856 9.873 1.00 5.13 H new ATOM 0 HZ3 LYS A 76 8.750 8.373 9.299 1.00 5.13 H new ATOM 1083 N GLU A 77 8.119 12.036 3.742 1.00 14.00 N ATOM 1084 CA GLU A 77 9.366 12.789 3.651 1.00 41.40 C ATOM 1085 C GLU A 77 9.109 14.194 3.119 1.00 60.40 C ATOM 1086 O GLU A 77 9.489 15.185 3.743 1.00 10.10 O ATOM 1087 CB GLU A 77 10.360 12.061 2.744 1.00 4.13 C ATOM 1088 CG GLU A 77 10.871 10.753 3.327 1.00 11.20 C ATOM 1089 CD GLU A 77 11.910 10.965 4.410 1.00 21.40 C ATOM 1090 OE1 GLU A 77 11.928 12.062 5.010 1.00 54.40 O ATOM 1091 OE2 GLU A 77 12.706 10.036 4.659 1.00 45.00 O ATOM 0 H GLU A 77 7.995 11.334 3.013 1.00 14.00 H new ATOM 0 HA GLU A 77 9.791 12.869 4.652 1.00 41.40 H new ATOM 0 HB2 GLU A 77 9.884 11.860 1.785 1.00 4.13 H new ATOM 0 HB3 GLU A 77 11.208 12.717 2.548 1.00 4.13 H new ATOM 0 HG2 GLU A 77 10.033 10.190 3.738 1.00 11.20 H new ATOM 0 HG3 GLU A 77 11.301 10.147 2.529 1.00 11.20 H new ATOM 1098 N TYR A 78 8.456 14.270 1.965 1.00 13.40 N ATOM 1099 CA TYR A 78 8.141 15.551 1.346 1.00 55.50 C ATOM 1100 C TYR A 78 7.255 16.389 2.267 1.00 32.10 C ATOM 1101 O TYR A 78 7.334 17.616 2.271 1.00 53.10 O ATOM 1102 CB TYR A 78 7.456 15.320 -0.010 1.00 60.40 C ATOM 1103 CG TYR A 78 6.434 16.374 -0.384 1.00 25.50 C ATOM 1104 CD1 TYR A 78 5.147 16.332 0.137 1.00 12.40 C ATOM 1105 CD2 TYR A 78 6.757 17.406 -1.256 1.00 20.50 C ATOM 1106 CE1 TYR A 78 4.210 17.290 -0.200 1.00 32.30 C ATOM 1107 CE2 TYR A 78 5.826 18.368 -1.597 1.00 63.30 C ATOM 1108 CZ TYR A 78 4.554 18.306 -1.067 1.00 44.20 C ATOM 1109 OH TYR A 78 3.624 19.261 -1.405 1.00 43.30 O ATOM 0 H TYR A 78 8.134 13.458 1.439 1.00 13.40 H new ATOM 0 HA TYR A 78 9.067 16.101 1.180 1.00 55.50 H new ATOM 0 HB2 TYR A 78 8.220 15.280 -0.787 1.00 60.40 H new ATOM 0 HB3 TYR A 78 6.966 14.346 0.005 1.00 60.40 H new ATOM 0 HD1 TYR A 78 4.874 15.538 0.816 1.00 12.40 H new ATOM 0 HD2 TYR A 78 7.752 17.457 -1.674 1.00 20.50 H new ATOM 0 HE1 TYR A 78 3.213 17.243 0.213 1.00 32.30 H new ATOM 0 HE2 TYR A 78 6.093 19.165 -2.275 1.00 63.30 H new ATOM 0 HH TYR A 78 2.760 18.831 -1.575 1.00 43.30 H new ATOM 1119 N LEU A 79 6.413 15.715 3.044 1.00 62.40 N ATOM 1120 CA LEU A 79 5.514 16.396 3.968 1.00 11.50 C ATOM 1121 C LEU A 79 6.300 17.147 5.037 1.00 54.50 C ATOM 1122 O LEU A 79 6.072 18.334 5.271 1.00 31.30 O ATOM 1123 CB LEU A 79 4.567 15.390 4.626 1.00 73.10 C ATOM 1124 CG LEU A 79 3.303 15.072 3.825 1.00 14.50 C ATOM 1125 CD1 LEU A 79 2.600 13.853 4.401 1.00 45.40 C ATOM 1126 CD2 LEU A 79 2.368 16.271 3.809 1.00 72.00 C ATOM 0 H LEU A 79 6.335 14.698 3.052 1.00 62.40 H new ATOM 0 HA LEU A 79 4.928 17.118 3.400 1.00 11.50 H new ATOM 0 HB2 LEU A 79 5.111 14.462 4.801 1.00 73.10 H new ATOM 0 HB3 LEU A 79 4.273 15.776 5.602 1.00 73.10 H new ATOM 0 HG LEU A 79 3.592 14.848 2.798 1.00 14.50 H new ATOM 0 HD11 LEU A 79 1.703 13.641 3.819 1.00 45.40 H new ATOM 0 HD12 LEU A 79 3.270 12.994 4.361 1.00 45.40 H new ATOM 0 HD13 LEU A 79 2.323 14.049 5.437 1.00 45.40 H new ATOM 0 HD21 LEU A 79 1.474 16.028 3.235 1.00 72.00 H new ATOM 0 HD22 LEU A 79 2.085 16.526 4.830 1.00 72.00 H new ATOM 0 HD23 LEU A 79 2.874 17.121 3.350 1.00 72.00 H new ATOM 1138 N LYS A 80 7.226 16.447 5.685 1.00 52.30 N ATOM 1139 CA LYS A 80 8.046 17.047 6.730 1.00 13.10 C ATOM 1140 C LYS A 80 9.044 18.038 6.138 1.00 4.10 C ATOM 1141 O LYS A 80 9.397 19.032 6.773 1.00 54.20 O ATOM 1142 CB LYS A 80 8.791 15.962 7.510 1.00 73.10 C ATOM 1143 CG LYS A 80 7.950 15.304 8.591 1.00 53.20 C ATOM 1144 CD LYS A 80 8.818 14.646 9.650 1.00 4.15 C ATOM 1145 CE LYS A 80 8.049 13.585 10.422 1.00 75.30 C ATOM 1146 NZ LYS A 80 7.231 14.178 11.516 1.00 23.50 N ATOM 0 H LYS A 80 7.427 15.463 5.504 1.00 52.30 H new ATOM 0 HA LYS A 80 7.385 17.585 7.410 1.00 13.10 H new ATOM 0 HB2 LYS A 80 9.136 15.197 6.814 1.00 73.10 H new ATOM 0 HB3 LYS A 80 9.678 16.400 7.968 1.00 73.10 H new ATOM 0 HG2 LYS A 80 7.308 16.050 9.058 1.00 53.20 H new ATOM 0 HG3 LYS A 80 7.296 14.558 8.140 1.00 53.20 H new ATOM 0 HD2 LYS A 80 9.690 14.193 9.177 1.00 4.15 H new ATOM 0 HD3 LYS A 80 9.188 15.404 10.341 1.00 4.15 H new ATOM 0 HE2 LYS A 80 7.399 13.038 9.739 1.00 75.30 H new ATOM 0 HE3 LYS A 80 8.749 12.863 10.843 1.00 75.30 H new ATOM 0 HZ1 LYS A 80 6.722 13.422 12.018 1.00 23.50 H new ATOM 0 HZ2 LYS A 80 7.853 14.679 12.182 1.00 23.50 H new ATOM 0 HZ3 LYS A 80 6.545 14.848 11.113 1.00 23.50 H new ATOM 1160 N ASN A 81 9.491 17.762 4.918 1.00 41.10 N ATOM 1161 CA ASN A 81 10.447 18.629 4.240 1.00 53.10 C ATOM 1162 C ASN A 81 9.755 19.864 3.674 1.00 42.20 C ATOM 1163 O ASN A 81 8.555 20.061 3.869 1.00 14.10 O ATOM 1164 CB ASN A 81 11.153 17.866 3.117 1.00 13.20 C ATOM 1165 CG ASN A 81 12.428 17.195 3.588 1.00 2.42 C ATOM 1166 OD1 ASN A 81 13.503 17.796 3.570 1.00 42.20 O ATOM 1167 ND2 ASN A 81 12.316 15.942 4.013 1.00 35.20 N ATOM 0 H ASN A 81 9.207 16.945 4.378 1.00 41.10 H new ATOM 0 HA ASN A 81 11.188 18.953 4.971 1.00 53.10 H new ATOM 0 HB2 ASN A 81 10.477 17.113 2.712 1.00 13.20 H new ATOM 0 HB3 ASN A 81 11.386 18.554 2.305 1.00 13.20 H new ATOM 0 HD21 ASN A 81 13.140 15.439 4.342 1.00 35.20 H new ATOM 0 HD22 ASN A 81 11.406 15.482 4.011 1.00 35.20 H new ATOM 1175 N ASP B 116 9.214 -11.357 -0.713 1.00 3.23 N ATOM 1176 CA ASP B 116 8.068 -10.972 0.104 1.00 45.50 C ATOM 1177 C ASP B 116 8.513 -10.149 1.309 1.00 45.10 C ATOM 1178 O ASP B 116 7.780 -9.277 1.781 1.00 34.10 O ATOM 1179 CB ASP B 116 7.311 -12.215 0.575 1.00 2.22 C ATOM 1180 CG ASP B 116 8.230 -13.259 1.191 1.00 41.20 C ATOM 1181 OD1 ASP B 116 9.208 -13.656 0.524 1.00 21.00 O ATOM 1182 OD2 ASP B 116 7.972 -13.673 2.341 1.00 50.40 O ATOM 0 HA ASP B 116 7.405 -10.361 -0.508 1.00 45.50 H new ATOM 0 HB2 ASP B 116 6.558 -11.922 1.306 1.00 2.22 H new ATOM 0 HB3 ASP B 116 6.781 -12.655 -0.270 1.00 2.22 H new ATOM 1187 N GLU B 117 9.715 -10.425 1.799 1.00 62.30 N ATOM 1188 CA GLU B 117 10.257 -9.713 2.949 1.00 74.10 C ATOM 1189 C GLU B 117 10.384 -8.225 2.650 1.00 35.40 C ATOM 1190 O GLU B 117 10.176 -7.381 3.525 1.00 1.11 O ATOM 1191 CB GLU B 117 11.622 -10.284 3.337 1.00 71.20 C ATOM 1192 CG GLU B 117 12.014 -9.999 4.777 1.00 20.40 C ATOM 1193 CD GLU B 117 13.509 -9.814 4.949 1.00 45.10 C ATOM 1194 OE1 GLU B 117 14.004 -8.702 4.676 1.00 12.40 O ATOM 1195 OE2 GLU B 117 14.183 -10.780 5.358 1.00 51.00 O ATOM 0 H GLU B 117 10.335 -11.139 1.416 1.00 62.30 H new ATOM 0 HA GLU B 117 9.568 -9.844 3.784 1.00 74.10 H new ATOM 0 HB2 GLU B 117 11.614 -11.362 3.178 1.00 71.20 H new ATOM 0 HB3 GLU B 117 12.381 -9.870 2.674 1.00 71.20 H new ATOM 0 HG2 GLU B 117 11.499 -9.101 5.119 1.00 20.40 H new ATOM 0 HG3 GLU B 117 11.678 -10.820 5.410 1.00 20.40 H new ATOM 1202 N GLU B 118 10.725 -7.904 1.407 1.00 4.15 N ATOM 1203 CA GLU B 118 10.878 -6.514 0.990 1.00 4.54 C ATOM 1204 C GLU B 118 9.574 -5.746 1.169 1.00 30.30 C ATOM 1205 O GLU B 118 9.550 -4.675 1.775 1.00 0.45 O ATOM 1206 CB GLU B 118 11.330 -6.444 -0.469 1.00 22.10 C ATOM 1207 CG GLU B 118 12.286 -5.298 -0.756 1.00 21.50 C ATOM 1208 CD GLU B 118 11.600 -4.118 -1.415 1.00 64.10 C ATOM 1209 OE1 GLU B 118 10.382 -3.942 -1.200 1.00 24.00 O ATOM 1210 OE2 GLU B 118 12.281 -3.369 -2.147 1.00 31.30 O ATOM 0 H GLU B 118 10.901 -8.587 0.670 1.00 4.15 H new ATOM 0 HA GLU B 118 11.639 -6.053 1.620 1.00 4.54 H new ATOM 0 HB2 GLU B 118 11.812 -7.384 -0.737 1.00 22.10 H new ATOM 0 HB3 GLU B 118 10.453 -6.343 -1.108 1.00 22.10 H new ATOM 0 HG2 GLU B 118 12.746 -4.972 0.177 1.00 21.50 H new ATOM 0 HG3 GLU B 118 13.090 -5.653 -1.401 1.00 21.50 H new ATOM 1217 N ILE B 119 8.488 -6.301 0.639 1.00 2.14 N ATOM 1218 CA ILE B 119 7.179 -5.669 0.741 1.00 52.30 C ATOM 1219 C ILE B 119 6.645 -5.739 2.168 1.00 3.44 C ATOM 1220 O ILE B 119 6.077 -4.772 2.676 1.00 22.20 O ATOM 1221 CB ILE B 119 6.161 -6.328 -0.210 1.00 32.10 C ATOM 1222 CG1 ILE B 119 6.734 -6.412 -1.626 1.00 11.30 C ATOM 1223 CG2 ILE B 119 4.852 -5.553 -0.206 1.00 1.24 C ATOM 1224 CD1 ILE B 119 5.782 -7.030 -2.628 1.00 23.10 C ATOM 0 H ILE B 119 8.490 -7.188 0.135 1.00 2.14 H new ATOM 0 HA ILE B 119 7.308 -4.625 0.455 1.00 52.30 H new ATOM 0 HB ILE B 119 5.961 -7.340 0.141 1.00 32.10 H new ATOM 0 HG12 ILE B 119 7.001 -5.410 -1.961 1.00 11.30 H new ATOM 0 HG13 ILE B 119 7.654 -6.996 -1.603 1.00 11.30 H new ATOM 0 HG21 ILE B 119 4.144 -6.031 -0.883 1.00 1.24 H new ATOM 0 HG22 ILE B 119 4.439 -5.542 0.803 1.00 1.24 H new ATOM 0 HG23 ILE B 119 5.034 -4.530 -0.535 1.00 1.24 H new ATOM 0 HD11 ILE B 119 6.255 -7.057 -3.610 1.00 23.10 H new ATOM 0 HD12 ILE B 119 5.534 -8.045 -2.316 1.00 23.10 H new ATOM 0 HD13 ILE B 119 4.871 -6.434 -2.680 1.00 23.10 H new ATOM 1236 N GLU B 120 6.832 -6.888 2.809 1.00 64.20 N ATOM 1237 CA GLU B 120 6.370 -7.082 4.178 1.00 60.30 C ATOM 1238 C GLU B 120 7.083 -6.132 5.134 1.00 40.10 C ATOM 1239 O GLU B 120 6.451 -5.493 5.976 1.00 14.00 O ATOM 1240 CB GLU B 120 6.599 -8.527 4.614 1.00 72.20 C ATOM 1241 CG GLU B 120 5.749 -8.946 5.801 1.00 24.10 C ATOM 1242 CD GLU B 120 6.456 -8.741 7.128 1.00 14.40 C ATOM 1243 OE1 GLU B 120 7.415 -7.941 7.169 1.00 65.30 O ATOM 1244 OE2 GLU B 120 6.050 -9.378 8.123 1.00 42.20 O ATOM 0 H GLU B 120 7.300 -7.698 2.403 1.00 64.20 H new ATOM 0 HA GLU B 120 5.302 -6.864 4.208 1.00 60.30 H new ATOM 0 HB2 GLU B 120 6.387 -9.189 3.774 1.00 72.20 H new ATOM 0 HB3 GLU B 120 7.651 -8.659 4.866 1.00 72.20 H new ATOM 0 HG2 GLU B 120 4.820 -8.376 5.797 1.00 24.10 H new ATOM 0 HG3 GLU B 120 5.479 -9.997 5.696 1.00 24.10 H new ATOM 1251 N ARG B 121 8.402 -6.042 4.998 1.00 71.40 N ATOM 1252 CA ARG B 121 9.201 -5.168 5.850 1.00 21.20 C ATOM 1253 C ARG B 121 8.855 -3.703 5.603 1.00 71.20 C ATOM 1254 O ARG B 121 8.946 -2.873 6.509 1.00 10.40 O ATOM 1255 CB ARG B 121 10.691 -5.402 5.599 1.00 60.40 C ATOM 1256 CG ARG B 121 11.236 -6.646 6.280 1.00 53.30 C ATOM 1257 CD ARG B 121 11.539 -6.387 7.746 1.00 43.00 C ATOM 1258 NE ARG B 121 12.357 -7.443 8.328 1.00 13.30 N ATOM 1259 CZ ARG B 121 13.667 -7.573 8.119 1.00 0.13 C ATOM 1260 NH1 ARG B 121 14.309 -6.710 7.342 1.00 30.30 N ATOM 1261 NH2 ARG B 121 14.336 -8.566 8.687 1.00 14.30 N ATOM 0 H ARG B 121 8.940 -6.563 4.306 1.00 71.40 H new ATOM 0 HA ARG B 121 8.973 -5.406 6.889 1.00 21.20 H new ATOM 0 HB2 ARG B 121 10.862 -5.482 4.525 1.00 60.40 H new ATOM 0 HB3 ARG B 121 11.250 -4.533 5.947 1.00 60.40 H new ATOM 0 HG2 ARG B 121 10.512 -7.456 6.194 1.00 53.30 H new ATOM 0 HG3 ARG B 121 12.143 -6.973 5.772 1.00 53.30 H new ATOM 0 HD2 ARG B 121 12.054 -5.432 7.847 1.00 43.00 H new ATOM 0 HD3 ARG B 121 10.604 -6.305 8.301 1.00 43.00 H new ATOM 0 HE ARG B 121 11.899 -8.125 8.933 1.00 13.30 H new ATOM 0 HH11 ARG B 121 13.800 -5.943 6.902 1.00 30.30 H new ATOM 0 HH12 ARG B 121 15.312 -6.813 7.185 1.00 30.30 H new ATOM 0 HH21 ARG B 121 13.848 -9.233 9.285 1.00 14.30 H new ATOM 0 HH22 ARG B 121 15.338 -8.664 8.526 1.00 14.30 H new ATOM 1275 N GLN B 122 8.458 -3.391 4.374 1.00 1.53 N ATOM 1276 CA GLN B 122 8.100 -2.025 4.009 1.00 30.40 C ATOM 1277 C GLN B 122 6.948 -1.516 4.869 1.00 5.25 C ATOM 1278 O GLN B 122 7.038 -0.451 5.479 1.00 35.40 O ATOM 1279 CB GLN B 122 7.716 -1.954 2.530 1.00 72.50 C ATOM 1280 CG GLN B 122 8.898 -1.709 1.607 1.00 11.40 C ATOM 1281 CD GLN B 122 9.472 -0.313 1.754 1.00 74.10 C ATOM 1282 OE1 GLN B 122 10.428 -0.098 2.499 1.00 5.41 O ATOM 1283 NE2 GLN B 122 8.891 0.644 1.041 1.00 31.20 N ATOM 0 H GLN B 122 8.376 -4.066 3.613 1.00 1.53 H new ATOM 0 HA GLN B 122 8.969 -1.390 4.183 1.00 30.40 H new ATOM 0 HB2 GLN B 122 7.229 -2.887 2.244 1.00 72.50 H new ATOM 0 HB3 GLN B 122 6.985 -1.157 2.391 1.00 72.50 H new ATOM 0 HG2 GLN B 122 9.677 -2.442 1.817 1.00 11.40 H new ATOM 0 HG3 GLN B 122 8.586 -1.863 0.574 1.00 11.40 H new ATOM 0 HE21 GLN B 122 8.101 0.421 0.436 1.00 31.20 H new ATOM 0 HE22 GLN B 122 9.235 1.603 1.098 1.00 31.20 H new ATOM 1292 N LEU B 123 5.865 -2.286 4.915 1.00 54.40 N ATOM 1293 CA LEU B 123 4.694 -1.913 5.701 1.00 63.30 C ATOM 1294 C LEU B 123 5.050 -1.782 7.178 1.00 22.20 C ATOM 1295 O LEU B 123 4.551 -0.896 7.871 1.00 12.40 O ATOM 1296 CB LEU B 123 3.581 -2.947 5.522 1.00 61.50 C ATOM 1297 CG LEU B 123 2.663 -2.710 4.322 1.00 74.20 C ATOM 1298 CD1 LEU B 123 3.240 -3.355 3.071 1.00 5.43 C ATOM 1299 CD2 LEU B 123 1.268 -3.245 4.605 1.00 2.02 C ATOM 0 H LEU B 123 5.774 -3.172 4.417 1.00 54.40 H new ATOM 0 HA LEU B 123 4.341 -0.946 5.343 1.00 63.30 H new ATOM 0 HB2 LEU B 123 4.035 -3.933 5.424 1.00 61.50 H new ATOM 0 HB3 LEU B 123 2.973 -2.965 6.427 1.00 61.50 H new ATOM 0 HG LEU B 123 2.591 -1.636 4.151 1.00 74.20 H new ATOM 0 HD11 LEU B 123 2.573 -3.175 2.228 1.00 5.43 H new ATOM 0 HD12 LEU B 123 4.218 -2.924 2.858 1.00 5.43 H new ATOM 0 HD13 LEU B 123 3.343 -4.428 3.230 1.00 5.43 H new ATOM 0 HD21 LEU B 123 0.628 -3.068 3.741 1.00 2.02 H new ATOM 0 HD22 LEU B 123 1.322 -4.315 4.803 1.00 2.02 H new ATOM 0 HD23 LEU B 123 0.852 -2.736 5.474 1.00 2.02 H new ATOM 1311 N LYS B 124 5.916 -2.671 7.654 1.00 74.00 N ATOM 1312 CA LYS B 124 6.340 -2.655 9.048 1.00 30.30 C ATOM 1313 C LYS B 124 7.087 -1.367 9.376 1.00 45.30 C ATOM 1314 O LYS B 124 7.033 -0.876 10.503 1.00 42.30 O ATOM 1315 CB LYS B 124 7.229 -3.864 9.347 1.00 2.31 C ATOM 1316 CG LYS B 124 7.168 -4.320 10.795 1.00 11.30 C ATOM 1317 CD LYS B 124 5.880 -5.074 11.089 1.00 22.40 C ATOM 1318 CE LYS B 124 6.064 -6.070 12.222 1.00 61.30 C ATOM 1319 NZ LYS B 124 5.033 -7.145 12.190 1.00 4.11 N ATOM 0 H LYS B 124 6.338 -3.412 7.094 1.00 74.00 H new ATOM 0 HA LYS B 124 5.448 -2.705 9.673 1.00 30.30 H new ATOM 0 HB2 LYS B 124 6.933 -4.691 8.702 1.00 2.31 H new ATOM 0 HB3 LYS B 124 8.260 -3.617 9.096 1.00 2.31 H new ATOM 0 HG2 LYS B 124 8.023 -4.960 11.012 1.00 11.30 H new ATOM 0 HG3 LYS B 124 7.242 -3.455 11.453 1.00 11.30 H new ATOM 0 HD2 LYS B 124 5.094 -4.365 11.350 1.00 22.40 H new ATOM 0 HD3 LYS B 124 5.551 -5.599 10.192 1.00 22.40 H new ATOM 0 HE2 LYS B 124 7.056 -6.516 12.155 1.00 61.30 H new ATOM 0 HE3 LYS B 124 6.013 -5.547 13.177 1.00 61.30 H new ATOM 0 HZ1 LYS B 124 5.194 -7.804 12.979 1.00 4.11 H new ATOM 0 HZ2 LYS B 124 4.087 -6.722 12.279 1.00 4.11 H new ATOM 0 HZ3 LYS B 124 5.098 -7.661 11.289 1.00 4.11 H new ATOM 1333 N ALA B 125 7.783 -0.824 8.382 1.00 1.15 N ATOM 1334 CA ALA B 125 8.541 0.408 8.566 1.00 61.10 C ATOM 1335 C ALA B 125 7.612 1.603 8.751 1.00 54.00 C ATOM 1336 O ALA B 125 7.867 2.478 9.579 1.00 42.10 O ATOM 1337 CB ALA B 125 9.468 0.637 7.381 1.00 13.30 C ATOM 0 H ALA B 125 7.838 -1.217 7.442 1.00 1.15 H new ATOM 0 HA ALA B 125 9.141 0.305 9.470 1.00 61.10 H new ATOM 0 HB1 ALA B 125 10.028 1.560 7.530 1.00 13.30 H new ATOM 0 HB2 ALA B 125 10.162 -0.199 7.295 1.00 13.30 H new ATOM 0 HB3 ALA B 125 8.878 0.714 6.467 1.00 13.30 H new ATOM 1343 N LEU B 126 6.533 1.633 7.976 1.00 14.00 N ATOM 1344 CA LEU B 126 5.565 2.720 8.055 1.00 52.30 C ATOM 1345 C LEU B 126 4.639 2.539 9.253 1.00 2.41 C ATOM 1346 O LEU B 126 4.169 3.513 9.840 1.00 20.10 O ATOM 1347 CB LEU B 126 4.742 2.795 6.767 1.00 50.10 C ATOM 1348 CG LEU B 126 5.463 3.425 5.574 1.00 74.20 C ATOM 1349 CD1 LEU B 126 4.655 3.231 4.300 1.00 50.30 C ATOM 1350 CD2 LEU B 126 5.717 4.903 5.827 1.00 23.10 C ATOM 0 H LEU B 126 6.307 0.917 7.286 1.00 14.00 H new ATOM 0 HA LEU B 126 6.115 3.653 8.181 1.00 52.30 H new ATOM 0 HB2 LEU B 126 4.431 1.787 6.493 1.00 50.10 H new ATOM 0 HB3 LEU B 126 3.835 3.365 6.966 1.00 50.10 H new ATOM 0 HG LEU B 126 6.425 2.927 5.449 1.00 74.20 H new ATOM 0 HD11 LEU B 126 5.183 3.685 3.462 1.00 50.30 H new ATOM 0 HD12 LEU B 126 4.523 2.166 4.111 1.00 50.30 H new ATOM 0 HD13 LEU B 126 3.679 3.703 4.413 1.00 50.30 H new ATOM 0 HD21 LEU B 126 6.231 5.336 4.969 1.00 23.10 H new ATOM 0 HD22 LEU B 126 4.767 5.415 5.977 1.00 23.10 H new ATOM 0 HD23 LEU B 126 6.336 5.019 6.717 1.00 23.10 H new