USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 697 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 66 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: B 122 GLN : amide:sc= -0.467 X(o=-0.47,f=-0.41) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 86:sc= 0.00365 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.88 K(o=-0.88,f=-0.26) 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=-0.29) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 176:sc= 0.0546 USER MOD Single : A 38 GLN : amide:sc= -0.0604 K(o=-0.06,f=-1.2) USER MOD Single : A 39 HIS : no HD1:sc= -0.0329 X(o=-0.033,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.397 X(o=-0.4,f=-0.021) USER MOD Single : A 49 LYS NZ :NH3+ 134:sc= -0.109 (180deg=-0.801) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.0735 X(o=-0.073,f=-0.33) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.688) USER MOD Single : A 59 GLN : amide:sc= -0.912 K(o=-0.91,f=-2.6!) USER MOD Single : A 60 SER OG : rot 76:sc= 0.186 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 74:sc= -1.16 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+ 160:sc= -1.16 (180deg=-2.35!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.0127 K(o=-0.013,f=-1.3) USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -12.174 -8.648 1.945 1.00 3.24 N ATOM 2 CA ASN A 10 -10.786 -8.228 2.061 1.00 65.50 C ATOM 3 C ASN A 10 -10.248 -7.743 0.719 1.00 63.20 C ATOM 4 O ASN A 10 -9.422 -6.832 0.663 1.00 50.30 O ATOM 5 CB ASN A 10 -9.925 -9.381 2.582 1.00 21.50 C ATOM 6 CG ASN A 10 -10.161 -9.659 4.053 1.00 61.20 C ATOM 7 OD1 ASN A 10 -11.088 -10.382 4.418 1.00 35.10 O ATOM 8 ND2 ASN A 10 -9.321 -9.087 4.906 1.00 15.10 N ATOM 0 HA ASN A 10 -10.742 -7.400 2.769 1.00 65.50 H new ATOM 0 HB2 ASN A 10 -10.140 -10.281 2.006 1.00 21.50 H new ATOM 0 HB3 ASN A 10 -8.873 -9.145 2.424 1.00 21.50 H new ATOM 0 HD21 ASN A 10 -9.430 -9.239 5.909 1.00 15.10 H new ATOM 0 HD22 ASN A 10 -8.566 -8.495 4.559 1.00 15.10 H new ATOM 15 N LEU A 11 -10.717 -8.354 -0.355 1.00 0.14 N ATOM 16 CA LEU A 11 -10.285 -7.984 -1.699 1.00 54.30 C ATOM 17 C LEU A 11 -11.016 -6.735 -2.181 1.00 55.40 C ATOM 18 O LEU A 11 -10.416 -5.848 -2.788 1.00 45.50 O ATOM 19 CB LEU A 11 -10.531 -9.140 -2.673 1.00 72.10 C ATOM 20 CG LEU A 11 -9.403 -10.167 -2.760 1.00 55.20 C ATOM 21 CD1 LEU A 11 -9.923 -11.495 -3.276 1.00 65.20 C ATOM 22 CD2 LEU A 11 -8.280 -9.650 -3.646 1.00 1.13 C ATOM 0 H LEU A 11 -11.399 -9.112 -0.326 1.00 0.14 H new ATOM 0 HA LEU A 11 -9.217 -7.768 -1.664 1.00 54.30 H new ATOM 0 HB2 LEU A 11 -11.447 -9.653 -2.379 1.00 72.10 H new ATOM 0 HB3 LEU A 11 -10.702 -8.727 -3.667 1.00 72.10 H new ATOM 0 HG LEU A 11 -9.006 -10.325 -1.757 1.00 55.20 H new ATOM 0 HD11 LEU A 11 -9.103 -12.211 -3.330 1.00 65.20 H new ATOM 0 HD12 LEU A 11 -10.690 -11.873 -2.600 1.00 65.20 H new ATOM 0 HD13 LEU A 11 -10.350 -11.357 -4.269 1.00 65.20 H new ATOM 0 HD21 LEU A 11 -7.485 -10.394 -3.697 1.00 1.13 H new ATOM 0 HD22 LEU A 11 -8.665 -9.461 -4.648 1.00 1.13 H new ATOM 0 HD23 LEU A 11 -7.884 -8.724 -3.229 1.00 1.13 H new ATOM 34 N GLN A 12 -12.314 -6.671 -1.908 1.00 51.00 N ATOM 35 CA GLN A 12 -13.127 -5.530 -2.315 1.00 24.20 C ATOM 36 C GLN A 12 -12.608 -4.242 -1.680 1.00 61.10 C ATOM 37 O GLN A 12 -12.659 -3.176 -2.294 1.00 12.10 O ATOM 38 CB GLN A 12 -14.592 -5.755 -1.926 1.00 74.30 C ATOM 39 CG GLN A 12 -15.311 -6.750 -2.814 1.00 1.35 C ATOM 40 CD GLN A 12 -15.810 -6.127 -4.104 1.00 25.00 C ATOM 41 OE1 GLN A 12 -15.062 -5.989 -5.072 1.00 14.40 O ATOM 42 NE2 GLN A 12 -17.079 -5.743 -4.120 1.00 40.30 N ATOM 0 H GLN A 12 -12.827 -7.396 -1.406 1.00 51.00 H new ATOM 0 HA GLN A 12 -13.060 -5.432 -3.399 1.00 24.20 H new ATOM 0 HB2 GLN A 12 -14.635 -6.104 -0.894 1.00 74.30 H new ATOM 0 HB3 GLN A 12 -15.119 -4.802 -1.962 1.00 74.30 H new ATOM 0 HG2 GLN A 12 -14.637 -7.574 -3.050 1.00 1.35 H new ATOM 0 HG3 GLN A 12 -16.155 -7.174 -2.269 1.00 1.35 H new ATOM 0 HE21 GLN A 12 -17.663 -5.877 -3.294 1.00 40.30 H new ATOM 0 HE22 GLN A 12 -17.471 -5.314 -4.958 1.00 40.30 H new ATOM 51 N LYS A 13 -12.117 -4.353 -0.457 1.00 51.30 N ATOM 52 CA LYS A 13 -11.591 -3.197 0.260 1.00 4.41 C ATOM 53 C LYS A 13 -10.174 -2.869 -0.203 1.00 61.30 C ATOM 54 O LYS A 13 -9.780 -1.704 -0.250 1.00 42.20 O ATOM 55 CB LYS A 13 -11.600 -3.457 1.767 1.00 43.20 C ATOM 56 CG LYS A 13 -12.892 -3.035 2.449 1.00 14.30 C ATOM 57 CD LYS A 13 -13.879 -4.188 2.533 1.00 12.20 C ATOM 58 CE LYS A 13 -15.161 -3.772 3.236 1.00 41.30 C ATOM 59 NZ LYS A 13 -16.042 -4.939 3.519 1.00 41.40 N ATOM 0 H LYS A 13 -12.070 -5.230 0.062 1.00 51.30 H new ATOM 0 HA LYS A 13 -12.233 -2.343 0.042 1.00 4.41 H new ATOM 0 HB2 LYS A 13 -11.435 -4.520 1.945 1.00 43.20 H new ATOM 0 HB3 LYS A 13 -10.766 -2.924 2.224 1.00 43.20 H new ATOM 0 HG2 LYS A 13 -12.673 -2.669 3.452 1.00 14.30 H new ATOM 0 HG3 LYS A 13 -13.342 -2.209 1.899 1.00 14.30 H new ATOM 0 HD2 LYS A 13 -14.112 -4.543 1.529 1.00 12.20 H new ATOM 0 HD3 LYS A 13 -13.423 -5.021 3.068 1.00 12.20 H new ATOM 0 HE2 LYS A 13 -14.915 -3.267 4.170 1.00 41.30 H new ATOM 0 HE3 LYS A 13 -15.698 -3.053 2.617 1.00 41.30 H new ATOM 0 HZ1 LYS A 13 -16.906 -4.614 3.999 1.00 41.40 H new ATOM 0 HZ2 LYS A 13 -16.297 -5.406 2.626 1.00 41.40 H new ATOM 0 HZ3 LYS A 13 -15.539 -5.613 4.131 1.00 41.40 H new ATOM 73 N ALA A 14 -9.414 -3.904 -0.542 1.00 53.30 N ATOM 74 CA ALA A 14 -8.041 -3.727 -1.001 1.00 60.00 C ATOM 75 C ALA A 14 -7.990 -2.866 -2.258 1.00 64.30 C ATOM 76 O ALA A 14 -7.181 -1.943 -2.358 1.00 63.30 O ATOM 77 CB ALA A 14 -7.392 -5.078 -1.258 1.00 13.00 C ATOM 0 H ALA A 14 -9.725 -4.875 -0.508 1.00 53.30 H new ATOM 0 HA ALA A 14 -7.485 -3.213 -0.217 1.00 60.00 H new ATOM 0 HB1 ALA A 14 -6.368 -4.930 -1.600 1.00 13.00 H new ATOM 0 HB2 ALA A 14 -7.387 -5.660 -0.337 1.00 13.00 H new ATOM 0 HB3 ALA A 14 -7.956 -5.613 -2.022 1.00 13.00 H new ATOM 83 N ILE A 15 -8.859 -3.173 -3.215 1.00 51.50 N ATOM 84 CA ILE A 15 -8.912 -2.427 -4.467 1.00 55.10 C ATOM 85 C ILE A 15 -9.522 -1.045 -4.257 1.00 24.20 C ATOM 86 O ILE A 15 -9.074 -0.062 -4.846 1.00 12.40 O ATOM 87 CB ILE A 15 -9.724 -3.176 -5.531 1.00 4.12 C ATOM 88 CG1 ILE A 15 -9.269 -4.634 -5.624 1.00 4.33 C ATOM 89 CG2 ILE A 15 -9.592 -2.487 -6.881 1.00 31.40 C ATOM 90 CD1 ILE A 15 -7.800 -4.785 -5.962 1.00 53.30 C ATOM 0 H ILE A 15 -9.536 -3.933 -3.148 1.00 51.50 H new ATOM 0 HA ILE A 15 -7.885 -2.319 -4.815 1.00 55.10 H new ATOM 0 HB ILE A 15 -10.774 -3.163 -5.239 1.00 4.12 H new ATOM 0 HG12 ILE A 15 -9.469 -5.131 -4.674 1.00 4.33 H new ATOM 0 HG13 ILE A 15 -9.863 -5.145 -6.382 1.00 4.33 H new ATOM 0 HG21 ILE A 15 -10.174 -3.031 -7.625 1.00 31.40 H new ATOM 0 HG22 ILE A 15 -9.963 -1.465 -6.806 1.00 31.40 H new ATOM 0 HG23 ILE A 15 -8.544 -2.471 -7.181 1.00 31.40 H new ATOM 0 HD11 ILE A 15 -7.545 -5.844 -6.012 1.00 53.30 H new ATOM 0 HD12 ILE A 15 -7.598 -4.317 -6.926 1.00 53.30 H new ATOM 0 HD13 ILE A 15 -7.198 -4.303 -5.192 1.00 53.30 H new ATOM 102 N ASP A 16 -10.547 -0.978 -3.414 1.00 32.00 N ATOM 103 CA ASP A 16 -11.219 0.283 -3.125 1.00 22.00 C ATOM 104 C ASP A 16 -10.299 1.228 -2.359 1.00 23.40 C ATOM 105 O ASP A 16 -10.126 2.386 -2.738 1.00 21.20 O ATOM 106 CB ASP A 16 -12.496 0.033 -2.321 1.00 43.20 C ATOM 107 CG ASP A 16 -13.462 1.201 -2.390 1.00 14.30 C ATOM 108 OD1 ASP A 16 -12.995 2.347 -2.552 1.00 52.30 O ATOM 109 OD2 ASP A 16 -14.684 0.967 -2.283 1.00 35.20 O ATOM 0 H ASP A 16 -10.931 -1.783 -2.919 1.00 32.00 H new ATOM 0 HA ASP A 16 -11.481 0.751 -4.074 1.00 22.00 H new ATOM 0 HB2 ASP A 16 -12.988 -0.864 -2.696 1.00 43.20 H new ATOM 0 HB3 ASP A 16 -12.235 -0.158 -1.280 1.00 43.20 H new ATOM 114 N LEU A 17 -9.710 0.724 -1.279 1.00 42.20 N ATOM 115 CA LEU A 17 -8.807 1.523 -0.459 1.00 15.00 C ATOM 116 C LEU A 17 -7.593 1.972 -1.267 1.00 4.21 C ATOM 117 O LEU A 17 -7.089 3.081 -1.085 1.00 10.40 O ATOM 118 CB LEU A 17 -8.354 0.724 0.764 1.00 64.30 C ATOM 119 CG LEU A 17 -9.341 0.712 1.932 1.00 54.00 C ATOM 120 CD1 LEU A 17 -9.153 -0.537 2.777 1.00 72.20 C ATOM 121 CD2 LEU A 17 -9.173 1.963 2.782 1.00 44.30 C ATOM 0 H LEU A 17 -9.842 -0.233 -0.952 1.00 42.20 H new ATOM 0 HA LEU A 17 -9.347 2.409 -0.125 1.00 15.00 H new ATOM 0 HB2 LEU A 17 -8.165 -0.305 0.457 1.00 64.30 H new ATOM 0 HB3 LEU A 17 -7.405 1.131 1.114 1.00 64.30 H new ATOM 0 HG LEU A 17 -10.353 0.703 1.528 1.00 54.00 H new ATOM 0 HD11 LEU A 17 -9.864 -0.528 3.603 1.00 72.20 H new ATOM 0 HD12 LEU A 17 -9.322 -1.421 2.162 1.00 72.20 H new ATOM 0 HD13 LEU A 17 -8.138 -0.559 3.172 1.00 72.20 H new ATOM 0 HD21 LEU A 17 -9.883 1.939 3.609 1.00 44.30 H new ATOM 0 HD22 LEU A 17 -8.158 2.001 3.176 1.00 44.30 H new ATOM 0 HD23 LEU A 17 -9.358 2.846 2.170 1.00 44.30 H new ATOM 133 N ALA A 18 -7.127 1.103 -2.157 1.00 24.20 N ATOM 134 CA ALA A 18 -5.972 1.410 -2.992 1.00 11.30 C ATOM 135 C ALA A 18 -6.314 2.468 -4.035 1.00 24.20 C ATOM 136 O ALA A 18 -5.516 3.363 -4.311 1.00 24.10 O ATOM 137 CB ALA A 18 -5.460 0.147 -3.668 1.00 2.22 C ATOM 0 H ALA A 18 -7.531 0.181 -2.319 1.00 24.20 H new ATOM 0 HA ALA A 18 -5.187 1.810 -2.350 1.00 11.30 H new ATOM 0 HB1 ALA A 18 -4.598 0.390 -4.288 1.00 2.22 H new ATOM 0 HB2 ALA A 18 -5.168 -0.579 -2.909 1.00 2.22 H new ATOM 0 HB3 ALA A 18 -6.247 -0.277 -4.291 1.00 2.22 H new ATOM 143 N SER A 19 -7.506 2.359 -4.613 1.00 1.03 N ATOM 144 CA SER A 19 -7.955 3.306 -5.626 1.00 53.10 C ATOM 145 C SER A 19 -8.077 4.710 -5.042 1.00 74.40 C ATOM 146 O SER A 19 -7.672 5.691 -5.666 1.00 32.10 O ATOM 147 CB SER A 19 -9.300 2.865 -6.209 1.00 3.44 C ATOM 148 OG SER A 19 -9.117 1.960 -7.284 1.00 54.50 O ATOM 0 H SER A 19 -8.179 1.623 -4.397 1.00 1.03 H new ATOM 0 HA SER A 19 -7.211 3.326 -6.423 1.00 53.10 H new ATOM 0 HB2 SER A 19 -9.900 2.394 -5.431 1.00 3.44 H new ATOM 0 HB3 SER A 19 -9.854 3.738 -6.554 1.00 3.44 H new ATOM 0 HG SER A 19 -9.039 1.048 -6.934 1.00 54.50 H new ATOM 154 N LYS A 20 -8.640 4.799 -3.841 1.00 13.10 N ATOM 155 CA LYS A 20 -8.815 6.083 -3.172 1.00 44.00 C ATOM 156 C LYS A 20 -7.467 6.686 -2.789 1.00 3.34 C ATOM 157 O LYS A 20 -7.308 7.906 -2.760 1.00 13.20 O ATOM 158 CB LYS A 20 -9.686 5.917 -1.926 1.00 14.50 C ATOM 159 CG LYS A 20 -9.148 4.894 -0.939 1.00 75.40 C ATOM 160 CD LYS A 20 -9.994 4.839 0.322 1.00 11.20 C ATOM 161 CE LYS A 20 -11.381 4.285 0.038 1.00 71.20 C ATOM 162 NZ LYS A 20 -12.096 3.908 1.289 1.00 25.00 N ATOM 0 H LYS A 20 -8.983 3.997 -3.311 1.00 13.10 H new ATOM 0 HA LYS A 20 -9.311 6.762 -3.866 1.00 44.00 H new ATOM 0 HB2 LYS A 20 -9.776 6.881 -1.425 1.00 14.50 H new ATOM 0 HB3 LYS A 20 -10.690 5.622 -2.231 1.00 14.50 H new ATOM 0 HG2 LYS A 20 -9.127 3.910 -1.408 1.00 75.40 H new ATOM 0 HG3 LYS A 20 -8.120 5.144 -0.678 1.00 75.40 H new ATOM 0 HD2 LYS A 20 -9.498 4.217 1.067 1.00 11.20 H new ATOM 0 HD3 LYS A 20 -10.080 5.839 0.747 1.00 11.20 H new ATOM 0 HE2 LYS A 20 -11.965 5.029 -0.504 1.00 71.20 H new ATOM 0 HE3 LYS A 20 -11.298 3.412 -0.609 1.00 71.20 H new ATOM 0 HZ1 LYS A 20 -13.037 3.535 1.052 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -11.552 3.179 1.794 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -12.199 4.746 1.896 1.00 25.00 H new ATOM 176 N ALA A 21 -6.501 5.822 -2.495 1.00 64.30 N ATOM 177 CA ALA A 21 -5.167 6.271 -2.114 1.00 73.30 C ATOM 178 C ALA A 21 -4.533 7.112 -3.217 1.00 33.20 C ATOM 179 O ALA A 21 -4.094 8.236 -2.978 1.00 50.20 O ATOM 180 CB ALA A 21 -4.284 5.076 -1.785 1.00 73.30 C ATOM 0 H ALA A 21 -6.617 4.809 -2.513 1.00 64.30 H new ATOM 0 HA ALA A 21 -5.261 6.897 -1.226 1.00 73.30 H new ATOM 0 HB1 ALA A 21 -3.291 5.424 -1.502 1.00 73.30 H new ATOM 0 HB2 ALA A 21 -4.722 4.517 -0.958 1.00 73.30 H new ATOM 0 HB3 ALA A 21 -4.206 4.429 -2.659 1.00 73.30 H new ATOM 186 N ALA A 22 -4.491 6.559 -4.424 1.00 14.10 N ATOM 187 CA ALA A 22 -3.912 7.259 -5.564 1.00 25.10 C ATOM 188 C ALA A 22 -4.752 8.471 -5.949 1.00 1.43 C ATOM 189 O ALA A 22 -4.229 9.469 -6.445 1.00 0.11 O ATOM 190 CB ALA A 22 -3.773 6.313 -6.748 1.00 61.50 C ATOM 0 H ALA A 22 -4.851 5.629 -4.638 1.00 14.10 H new ATOM 0 HA ALA A 22 -2.922 7.613 -5.277 1.00 25.10 H new ATOM 0 HB1 ALA A 22 -3.339 6.848 -7.593 1.00 61.50 H new ATOM 0 HB2 ALA A 22 -3.125 5.481 -6.475 1.00 61.50 H new ATOM 0 HB3 ALA A 22 -4.755 5.931 -7.026 1.00 61.50 H new ATOM 196 N GLN A 23 -6.058 8.378 -5.718 1.00 60.40 N ATOM 197 CA GLN A 23 -6.971 9.468 -6.040 1.00 53.20 C ATOM 198 C GLN A 23 -6.686 10.692 -5.174 1.00 54.50 C ATOM 199 O GLN A 23 -6.574 11.809 -5.679 1.00 31.10 O ATOM 200 CB GLN A 23 -8.421 9.020 -5.849 1.00 0.23 C ATOM 201 CG GLN A 23 -9.428 9.884 -6.590 1.00 42.40 C ATOM 202 CD GLN A 23 -10.692 10.122 -5.789 1.00 2.30 C ATOM 203 OE1 GLN A 23 -11.724 9.498 -6.036 1.00 22.40 O ATOM 204 NE2 GLN A 23 -10.619 11.032 -4.824 1.00 61.10 N ATOM 0 H GLN A 23 -6.507 7.559 -5.309 1.00 60.40 H new ATOM 0 HA GLN A 23 -6.817 9.741 -7.084 1.00 53.20 H new ATOM 0 HB2 GLN A 23 -8.521 7.989 -6.187 1.00 0.23 H new ATOM 0 HB3 GLN A 23 -8.659 9.031 -4.785 1.00 0.23 H new ATOM 0 HG2 GLN A 23 -8.970 10.843 -6.832 1.00 42.40 H new ATOM 0 HG3 GLN A 23 -9.686 9.406 -7.535 1.00 42.40 H new ATOM 0 HE21 GLN A 23 -9.743 11.526 -4.654 1.00 61.10 H new ATOM 0 HE22 GLN A 23 -11.439 11.237 -4.253 1.00 61.10 H new ATOM 213 N GLU A 24 -6.571 10.472 -3.868 1.00 23.40 N ATOM 214 CA GLU A 24 -6.300 11.557 -2.933 1.00 14.40 C ATOM 215 C GLU A 24 -4.974 12.237 -3.258 1.00 54.30 C ATOM 216 O GLU A 24 -4.835 13.451 -3.105 1.00 62.30 O ATOM 217 CB GLU A 24 -6.276 11.027 -1.498 1.00 13.10 C ATOM 218 CG GLU A 24 -7.656 10.904 -0.872 1.00 44.50 C ATOM 219 CD GLU A 24 -8.612 10.088 -1.721 1.00 42.20 C ATOM 220 OE1 GLU A 24 -8.960 10.546 -2.829 1.00 21.10 O ATOM 221 OE2 GLU A 24 -9.010 8.990 -1.278 1.00 64.20 O ATOM 0 H GLU A 24 -6.661 9.553 -3.434 1.00 23.40 H new ATOM 0 HA GLU A 24 -7.098 12.293 -3.028 1.00 14.40 H new ATOM 0 HB2 GLU A 24 -5.793 10.050 -1.488 1.00 13.10 H new ATOM 0 HB3 GLU A 24 -5.666 11.690 -0.885 1.00 13.10 H new ATOM 0 HG2 GLU A 24 -7.565 10.442 0.111 1.00 44.50 H new ATOM 0 HG3 GLU A 24 -8.072 11.900 -0.719 1.00 44.50 H new ATOM 228 N ASP A 25 -4.003 11.449 -3.705 1.00 0.51 N ATOM 229 CA ASP A 25 -2.689 11.975 -4.051 1.00 33.20 C ATOM 230 C ASP A 25 -2.796 13.022 -5.155 1.00 41.40 C ATOM 231 O ASP A 25 -2.233 14.111 -5.050 1.00 73.10 O ATOM 232 CB ASP A 25 -1.762 10.842 -4.495 1.00 45.30 C ATOM 233 CG ASP A 25 -0.348 11.321 -4.759 1.00 35.10 C ATOM 234 OD1 ASP A 25 -0.177 12.233 -5.595 1.00 21.30 O ATOM 235 OD2 ASP A 25 0.588 10.784 -4.130 1.00 54.30 O ATOM 0 H ASP A 25 -4.102 10.442 -3.836 1.00 0.51 H new ATOM 0 HA ASP A 25 -2.271 12.450 -3.163 1.00 33.20 H new ATOM 0 HB2 ASP A 25 -1.743 10.069 -3.726 1.00 45.30 H new ATOM 0 HB3 ASP A 25 -2.162 10.383 -5.399 1.00 45.30 H new ATOM 240 N LYS A 26 -3.523 12.683 -6.215 1.00 44.30 N ATOM 241 CA LYS A 26 -3.704 13.593 -7.340 1.00 52.30 C ATOM 242 C LYS A 26 -4.794 14.618 -7.039 1.00 60.10 C ATOM 243 O LYS A 26 -4.747 15.749 -7.523 1.00 3.12 O ATOM 244 CB LYS A 26 -4.060 12.810 -8.605 1.00 21.50 C ATOM 245 CG LYS A 26 -2.846 12.362 -9.404 1.00 3.44 C ATOM 246 CD LYS A 26 -2.256 13.509 -10.209 1.00 14.30 C ATOM 247 CE LYS A 26 -0.877 13.161 -10.737 1.00 13.20 C ATOM 248 NZ LYS A 26 -0.935 12.586 -12.112 1.00 4.03 N ATOM 0 H LYS A 26 -3.996 11.785 -6.318 1.00 44.30 H new ATOM 0 HA LYS A 26 -2.765 14.123 -7.502 1.00 52.30 H new ATOM 0 HB2 LYS A 26 -4.646 11.934 -8.327 1.00 21.50 H new ATOM 0 HB3 LYS A 26 -4.694 13.429 -9.239 1.00 21.50 H new ATOM 0 HG2 LYS A 26 -2.090 11.964 -8.727 1.00 3.44 H new ATOM 0 HG3 LYS A 26 -3.130 11.552 -10.076 1.00 3.44 H new ATOM 0 HD2 LYS A 26 -2.917 13.749 -11.042 1.00 14.30 H new ATOM 0 HD3 LYS A 26 -2.194 14.400 -9.584 1.00 14.30 H new ATOM 0 HE2 LYS A 26 -0.255 14.056 -10.744 1.00 13.20 H new ATOM 0 HE3 LYS A 26 -0.401 12.447 -10.065 1.00 13.20 H new ATOM 0 HZ1 LYS A 26 0.028 12.362 -12.436 1.00 4.03 H new ATOM 0 HZ2 LYS A 26 -1.507 11.718 -12.101 1.00 4.03 H new ATOM 0 HZ3 LYS A 26 -1.366 13.277 -12.759 1.00 4.03 H new ATOM 262 N ALA A 27 -5.775 14.214 -6.239 1.00 52.30 N ATOM 263 CA ALA A 27 -6.876 15.096 -5.873 1.00 12.40 C ATOM 264 C ALA A 27 -6.366 16.344 -5.161 1.00 21.10 C ATOM 265 O ALA A 27 -6.538 17.462 -5.647 1.00 24.10 O ATOM 266 CB ALA A 27 -7.876 14.356 -4.998 1.00 1.44 C ATOM 0 H ALA A 27 -5.830 13.280 -5.832 1.00 52.30 H new ATOM 0 HA ALA A 27 -7.376 15.412 -6.788 1.00 12.40 H new ATOM 0 HB1 ALA A 27 -8.693 15.027 -4.732 1.00 1.44 H new ATOM 0 HB2 ALA A 27 -8.272 13.499 -5.543 1.00 1.44 H new ATOM 0 HB3 ALA A 27 -7.380 14.011 -4.091 1.00 1.44 H new ATOM 272 N GLY A 28 -5.740 16.146 -4.006 1.00 54.30 N ATOM 273 CA GLY A 28 -5.215 17.265 -3.245 1.00 33.50 C ATOM 274 C GLY A 28 -4.904 16.897 -1.808 1.00 22.30 C ATOM 275 O GLY A 28 -4.013 17.479 -1.191 1.00 3.04 O ATOM 0 H GLY A 28 -5.587 15.231 -3.583 1.00 54.30 H new ATOM 0 HA2 GLY A 28 -4.309 17.634 -3.726 1.00 33.50 H new ATOM 0 HA3 GLY A 28 -5.938 18.081 -3.259 1.00 33.50 H new ATOM 279 N ASN A 29 -5.640 15.927 -1.274 1.00 25.30 N ATOM 280 CA ASN A 29 -5.437 15.483 0.100 1.00 5.53 C ATOM 281 C ASN A 29 -4.259 14.518 0.192 1.00 14.10 C ATOM 282 O ASN A 29 -4.430 13.302 0.101 1.00 30.00 O ATOM 283 CB ASN A 29 -6.704 14.811 0.633 1.00 23.10 C ATOM 284 CG ASN A 29 -7.906 15.735 0.598 1.00 61.50 C ATOM 285 OD1 ASN A 29 -7.799 16.924 0.895 1.00 44.10 O ATOM 286 ND2 ASN A 29 -9.061 15.189 0.234 1.00 73.00 N ATOM 0 H ASN A 29 -6.382 15.434 -1.772 1.00 25.30 H new ATOM 0 HA ASN A 29 -5.214 16.359 0.709 1.00 5.53 H new ATOM 0 HB2 ASN A 29 -6.916 13.920 0.041 1.00 23.10 H new ATOM 0 HB3 ASN A 29 -6.533 14.480 1.657 1.00 23.10 H new ATOM 0 HD21 ASN A 29 -9.905 15.761 0.193 1.00 73.00 H new ATOM 0 HD22 ASN A 29 -9.104 14.198 -0.004 1.00 73.00 H new ATOM 293 N TYR A 30 -3.063 15.069 0.374 1.00 10.30 N ATOM 294 CA TYR A 30 -1.856 14.257 0.480 1.00 64.50 C ATOM 295 C TYR A 30 -1.896 13.384 1.729 1.00 45.50 C ATOM 296 O TYR A 30 -1.704 12.170 1.657 1.00 31.40 O ATOM 297 CB TYR A 30 -0.616 15.151 0.507 1.00 64.40 C ATOM 298 CG TYR A 30 -0.486 16.046 -0.705 1.00 32.20 C ATOM 299 CD1 TYR A 30 -0.746 15.559 -1.981 1.00 31.50 C ATOM 300 CD2 TYR A 30 -0.106 17.375 -0.574 1.00 50.30 C ATOM 301 CE1 TYR A 30 -0.629 16.374 -3.091 1.00 61.30 C ATOM 302 CE2 TYR A 30 0.013 18.195 -1.679 1.00 20.20 C ATOM 303 CZ TYR A 30 -0.249 17.690 -2.935 1.00 52.30 C ATOM 304 OH TYR A 30 -0.132 18.504 -4.039 1.00 43.30 O ATOM 0 H TYR A 30 -2.904 16.074 0.451 1.00 10.30 H new ATOM 0 HA TYR A 30 -1.807 13.607 -0.394 1.00 64.50 H new ATOM 0 HB2 TYR A 30 -0.645 15.770 1.404 1.00 64.40 H new ATOM 0 HB3 TYR A 30 0.272 14.523 0.581 1.00 64.40 H new ATOM 0 HD1 TYR A 30 -1.044 14.529 -2.107 1.00 31.50 H new ATOM 0 HD2 TYR A 30 0.100 17.774 0.408 1.00 50.30 H new ATOM 0 HE1 TYR A 30 -0.834 15.982 -4.076 1.00 61.30 H new ATOM 0 HE2 TYR A 30 0.310 19.227 -1.560 1.00 20.20 H new ATOM 0 HH TYR A 30 0.143 19.401 -3.756 1.00 43.30 H new ATOM 314 N GLU A 31 -2.147 14.010 2.874 1.00 72.40 N ATOM 315 CA GLU A 31 -2.215 13.290 4.141 1.00 43.30 C ATOM 316 C GLU A 31 -3.286 12.204 4.093 1.00 63.40 C ATOM 317 O GLU A 31 -3.162 11.167 4.744 1.00 70.30 O ATOM 318 CB GLU A 31 -2.504 14.260 5.288 1.00 61.20 C ATOM 319 CG GLU A 31 -1.789 13.904 6.581 1.00 61.30 C ATOM 320 CD GLU A 31 -2.659 14.117 7.805 1.00 21.50 C ATOM 321 OE1 GLU A 31 -3.835 13.698 7.778 1.00 34.20 O ATOM 322 OE2 GLU A 31 -2.163 14.702 8.790 1.00 34.40 O ATOM 0 H GLU A 31 -2.307 15.014 2.951 1.00 72.40 H new ATOM 0 HA GLU A 31 -1.249 12.814 4.313 1.00 43.30 H new ATOM 0 HB2 GLU A 31 -2.211 15.265 4.985 1.00 61.20 H new ATOM 0 HB3 GLU A 31 -3.578 14.283 5.471 1.00 61.20 H new ATOM 0 HG2 GLU A 31 -1.472 12.862 6.542 1.00 61.30 H new ATOM 0 HG3 GLU A 31 -0.886 14.508 6.671 1.00 61.30 H new ATOM 329 N GLU A 32 -4.336 12.451 3.316 1.00 31.10 N ATOM 330 CA GLU A 32 -5.428 11.496 3.180 1.00 23.20 C ATOM 331 C GLU A 32 -5.001 10.301 2.334 1.00 43.30 C ATOM 332 O GLU A 32 -5.412 9.169 2.589 1.00 1.11 O ATOM 333 CB GLU A 32 -6.648 12.172 2.551 1.00 51.30 C ATOM 334 CG GLU A 32 -7.855 11.257 2.427 1.00 64.30 C ATOM 335 CD GLU A 32 -8.649 11.161 3.715 1.00 23.40 C ATOM 336 OE1 GLU A 32 -9.032 12.220 4.257 1.00 65.30 O ATOM 337 OE2 GLU A 32 -8.887 10.028 4.183 1.00 3.41 O ATOM 0 H GLU A 32 -4.453 13.305 2.771 1.00 31.10 H new ATOM 0 HA GLU A 32 -5.693 11.138 4.175 1.00 23.20 H new ATOM 0 HB2 GLU A 32 -6.921 13.040 3.151 1.00 51.30 H new ATOM 0 HB3 GLU A 32 -6.379 12.540 1.561 1.00 51.30 H new ATOM 0 HG2 GLU A 32 -8.504 11.623 1.631 1.00 64.30 H new ATOM 0 HG3 GLU A 32 -7.523 10.261 2.134 1.00 64.30 H new ATOM 344 N ALA A 33 -4.175 10.562 1.327 1.00 35.40 N ATOM 345 CA ALA A 33 -3.691 9.509 0.442 1.00 52.50 C ATOM 346 C ALA A 33 -2.681 8.615 1.155 1.00 64.50 C ATOM 347 O ALA A 33 -2.614 7.413 0.902 1.00 4.33 O ATOM 348 CB ALA A 33 -3.074 10.114 -0.808 1.00 1.13 C ATOM 0 H ALA A 33 -3.826 11.494 1.103 1.00 35.40 H new ATOM 0 HA ALA A 33 -4.541 8.892 0.151 1.00 52.50 H new ATOM 0 HB1 ALA A 33 -2.717 9.317 -1.460 1.00 1.13 H new ATOM 0 HB2 ALA A 33 -3.824 10.705 -1.334 1.00 1.13 H new ATOM 0 HB3 ALA A 33 -2.238 10.755 -0.528 1.00 1.13 H new ATOM 354 N LEU A 34 -1.896 9.212 2.047 1.00 20.40 N ATOM 355 CA LEU A 34 -0.890 8.471 2.796 1.00 1.11 C ATOM 356 C LEU A 34 -1.541 7.424 3.694 1.00 73.30 C ATOM 357 O LEU A 34 -1.212 6.239 3.621 1.00 51.30 O ATOM 358 CB LEU A 34 -0.045 9.428 3.639 1.00 25.10 C ATOM 359 CG LEU A 34 1.019 8.756 4.509 1.00 44.30 C ATOM 360 CD1 LEU A 34 2.210 8.331 3.664 1.00 60.20 C ATOM 361 CD2 LEU A 34 1.464 9.692 5.624 1.00 75.40 C ATOM 0 H LEU A 34 -1.938 10.207 2.268 1.00 20.40 H new ATOM 0 HA LEU A 34 -0.245 7.960 2.082 1.00 1.11 H new ATOM 0 HB2 LEU A 34 0.447 10.137 2.973 1.00 25.10 H new ATOM 0 HB3 LEU A 34 -0.709 10.004 4.284 1.00 25.10 H new ATOM 0 HG LEU A 34 0.582 7.865 4.960 1.00 44.30 H new ATOM 0 HD11 LEU A 34 2.956 7.855 4.300 1.00 60.20 H new ATOM 0 HD12 LEU A 34 1.881 7.626 2.900 1.00 60.20 H new ATOM 0 HD13 LEU A 34 2.647 9.207 3.185 1.00 60.20 H new ATOM 0 HD21 LEU A 34 2.221 9.198 6.233 1.00 75.40 H new ATOM 0 HD22 LEU A 34 1.883 10.600 5.191 1.00 75.40 H new ATOM 0 HD23 LEU A 34 0.607 9.949 6.247 1.00 75.40 H new ATOM 373 N GLN A 35 -2.465 7.868 4.539 1.00 31.50 N ATOM 374 CA GLN A 35 -3.162 6.968 5.450 1.00 14.50 C ATOM 375 C GLN A 35 -3.925 5.896 4.679 1.00 13.20 C ATOM 376 O GLN A 35 -3.985 4.740 5.098 1.00 3.13 O ATOM 377 CB GLN A 35 -4.127 7.756 6.339 1.00 21.20 C ATOM 378 CG GLN A 35 -5.105 8.620 5.560 1.00 22.00 C ATOM 379 CD GLN A 35 -6.246 9.130 6.419 1.00 64.40 C ATOM 380 OE1 GLN A 35 -7.355 8.600 6.378 1.00 0.51 O ATOM 381 NE2 GLN A 35 -5.976 10.166 7.206 1.00 1.02 N ATOM 0 H GLN A 35 -2.748 8.845 4.612 1.00 31.50 H new ATOM 0 HA GLN A 35 -2.417 6.478 6.077 1.00 14.50 H new ATOM 0 HB2 GLN A 35 -4.687 7.058 6.961 1.00 21.20 H new ATOM 0 HB3 GLN A 35 -3.551 8.391 7.012 1.00 21.20 H new ATOM 0 HG2 GLN A 35 -4.572 9.468 5.130 1.00 22.00 H new ATOM 0 HG3 GLN A 35 -5.511 8.044 4.729 1.00 22.00 H new ATOM 0 HE21 GLN A 35 -5.042 10.575 7.208 1.00 1.02 H new ATOM 0 HE22 GLN A 35 -6.703 10.552 7.808 1.00 1.02 H new ATOM 390 N LEU A 36 -4.506 6.286 3.549 1.00 64.20 N ATOM 391 CA LEU A 36 -5.265 5.359 2.718 1.00 54.20 C ATOM 392 C LEU A 36 -4.336 4.380 2.009 1.00 53.10 C ATOM 393 O LEU A 36 -4.702 3.232 1.756 1.00 62.40 O ATOM 394 CB LEU A 36 -6.098 6.126 1.689 1.00 61.00 C ATOM 395 CG LEU A 36 -7.288 6.897 2.265 1.00 51.00 C ATOM 396 CD1 LEU A 36 -7.964 7.720 1.179 1.00 63.10 C ATOM 397 CD2 LEU A 36 -8.280 5.939 2.906 1.00 53.30 C ATOM 0 H LEU A 36 -4.465 7.239 3.188 1.00 64.20 H new ATOM 0 HA LEU A 36 -5.934 4.794 3.367 1.00 54.20 H new ATOM 0 HB2 LEU A 36 -5.447 6.828 1.168 1.00 61.00 H new ATOM 0 HB3 LEU A 36 -6.467 5.421 0.944 1.00 61.00 H new ATOM 0 HG LEU A 36 -6.921 7.578 3.033 1.00 51.00 H new ATOM 0 HD11 LEU A 36 -8.808 8.262 1.606 1.00 63.10 H new ATOM 0 HD12 LEU A 36 -7.250 8.430 0.763 1.00 63.10 H new ATOM 0 HD13 LEU A 36 -8.319 7.058 0.389 1.00 63.10 H new ATOM 0 HD21 LEU A 36 -9.120 6.503 3.311 1.00 53.30 H new ATOM 0 HD22 LEU A 36 -8.642 5.235 2.157 1.00 53.30 H new ATOM 0 HD23 LEU A 36 -7.789 5.391 3.711 1.00 53.30 H new ATOM 409 N TYR A 37 -3.129 4.841 1.692 1.00 3.24 N ATOM 410 CA TYR A 37 -2.146 4.005 1.012 1.00 45.20 C ATOM 411 C TYR A 37 -1.805 2.776 1.849 1.00 42.00 C ATOM 412 O TYR A 37 -1.913 1.643 1.379 1.00 11.50 O ATOM 413 CB TYR A 37 -0.877 4.808 0.723 1.00 33.50 C ATOM 414 CG TYR A 37 -0.883 5.485 -0.628 1.00 63.20 C ATOM 415 CD1 TYR A 37 -1.296 4.804 -1.767 1.00 75.30 C ATOM 416 CD2 TYR A 37 -0.475 6.807 -0.766 1.00 25.40 C ATOM 417 CE1 TYR A 37 -1.302 5.421 -3.004 1.00 40.40 C ATOM 418 CE2 TYR A 37 -0.480 7.429 -1.999 1.00 54.20 C ATOM 419 CZ TYR A 37 -0.893 6.733 -3.115 1.00 5.42 C ATOM 420 OH TYR A 37 -0.899 7.350 -4.344 1.00 62.00 O ATOM 0 H TYR A 37 -2.809 5.788 1.895 1.00 3.24 H new ATOM 0 HA TYR A 37 -2.579 3.671 0.069 1.00 45.20 H new ATOM 0 HB2 TYR A 37 -0.751 5.564 1.498 1.00 33.50 H new ATOM 0 HB3 TYR A 37 -0.015 4.143 0.783 1.00 33.50 H new ATOM 0 HD1 TYR A 37 -1.617 3.776 -1.684 1.00 75.30 H new ATOM 0 HD2 TYR A 37 -0.149 7.356 0.105 1.00 25.40 H new ATOM 0 HE1 TYR A 37 -1.626 4.878 -3.880 1.00 40.40 H new ATOM 0 HE2 TYR A 37 -0.161 8.457 -2.089 1.00 54.20 H new ATOM 0 HH TYR A 37 -0.645 8.291 -4.239 1.00 62.00 H new ATOM 430 N GLN A 38 -1.393 3.008 3.091 1.00 21.40 N ATOM 431 CA GLN A 38 -1.035 1.920 3.994 1.00 14.20 C ATOM 432 C GLN A 38 -2.221 0.986 4.217 1.00 55.50 C ATOM 433 O GLN A 38 -2.068 -0.236 4.223 1.00 43.20 O ATOM 434 CB GLN A 38 -0.553 2.480 5.333 1.00 32.30 C ATOM 435 CG GLN A 38 0.657 3.392 5.211 1.00 11.40 C ATOM 436 CD GLN A 38 0.753 4.389 6.349 1.00 55.30 C ATOM 437 OE1 GLN A 38 0.036 4.283 7.345 1.00 23.20 O ATOM 438 NE2 GLN A 38 1.641 5.366 6.207 1.00 22.50 N ATOM 0 H GLN A 38 -1.299 3.940 3.495 1.00 21.40 H new ATOM 0 HA GLN A 38 -0.228 1.349 3.535 1.00 14.20 H new ATOM 0 HB2 GLN A 38 -1.368 3.032 5.801 1.00 32.30 H new ATOM 0 HB3 GLN A 38 -0.307 1.651 5.997 1.00 32.30 H new ATOM 0 HG2 GLN A 38 1.563 2.786 5.186 1.00 11.40 H new ATOM 0 HG3 GLN A 38 0.608 3.930 4.264 1.00 11.40 H new ATOM 0 HE21 GLN A 38 2.214 5.416 5.365 1.00 22.50 H new ATOM 0 HE22 GLN A 38 1.750 6.067 6.940 1.00 22.50 H new ATOM 447 N HIS A 39 -3.401 1.569 4.400 1.00 61.30 N ATOM 448 CA HIS A 39 -4.613 0.788 4.623 1.00 35.10 C ATOM 449 C HIS A 39 -4.886 -0.140 3.443 1.00 61.20 C ATOM 450 O HIS A 39 -5.285 -1.290 3.626 1.00 22.00 O ATOM 451 CB HIS A 39 -5.808 1.716 4.844 1.00 5.22 C ATOM 452 CG HIS A 39 -5.943 2.190 6.258 1.00 44.10 C ATOM 453 ND1 HIS A 39 -7.137 2.170 6.949 1.00 31.20 N ATOM 454 CD2 HIS A 39 -5.026 2.701 7.113 1.00 42.30 C ATOM 455 CE1 HIS A 39 -6.947 2.647 8.166 1.00 55.20 C ATOM 456 NE2 HIS A 39 -5.676 2.976 8.291 1.00 72.20 N ATOM 0 H HIS A 39 -3.544 2.579 4.398 1.00 61.30 H new ATOM 0 HA HIS A 39 -4.465 0.179 5.515 1.00 35.10 H new ATOM 0 HB2 HIS A 39 -5.713 2.580 4.187 1.00 5.22 H new ATOM 0 HB3 HIS A 39 -6.721 1.195 4.555 1.00 5.22 H new ATOM 0 HD2 HIS A 39 -3.978 2.862 6.907 1.00 42.30 H new ATOM 0 HE1 HIS A 39 -7.704 2.750 8.929 1.00 55.20 H new ATOM 0 HE2 HIS A 39 -5.246 3.371 9.127 1.00 72.20 H new ATOM 465 N ALA A 40 -4.669 0.367 2.235 1.00 33.10 N ATOM 466 CA ALA A 40 -4.891 -0.416 1.026 1.00 73.50 C ATOM 467 C ALA A 40 -3.795 -1.459 0.839 1.00 41.40 C ATOM 468 O ALA A 40 -4.073 -2.623 0.552 1.00 4.21 O ATOM 469 CB ALA A 40 -4.965 0.498 -0.188 1.00 14.50 C ATOM 0 H ALA A 40 -4.339 1.318 2.067 1.00 33.10 H new ATOM 0 HA ALA A 40 -5.841 -0.940 1.131 1.00 73.50 H new ATOM 0 HB1 ALA A 40 -5.131 -0.100 -1.084 1.00 14.50 H new ATOM 0 HB2 ALA A 40 -5.788 1.202 -0.064 1.00 14.50 H new ATOM 0 HB3 ALA A 40 -4.029 1.048 -0.287 1.00 14.50 H new ATOM 475 N VAL A 41 -2.547 -1.033 1.004 1.00 41.40 N ATOM 476 CA VAL A 41 -1.408 -1.931 0.854 1.00 53.20 C ATOM 477 C VAL A 41 -1.466 -3.064 1.872 1.00 14.10 C ATOM 478 O VAL A 41 -1.069 -4.193 1.583 1.00 23.40 O ATOM 479 CB VAL A 41 -0.072 -1.177 1.016 1.00 42.10 C ATOM 480 CG1 VAL A 41 1.100 -2.092 0.698 1.00 73.30 C ATOM 481 CG2 VAL A 41 -0.047 0.062 0.133 1.00 0.13 C ATOM 0 H VAL A 41 -2.299 -0.073 1.241 1.00 41.40 H new ATOM 0 HA VAL A 41 -1.462 -2.346 -0.152 1.00 53.20 H new ATOM 0 HB VAL A 41 0.019 -0.856 2.054 1.00 42.10 H new ATOM 0 HG11 VAL A 41 2.034 -1.542 0.818 1.00 73.30 H new ATOM 0 HG12 VAL A 41 1.091 -2.944 1.377 1.00 73.30 H new ATOM 0 HG13 VAL A 41 1.017 -2.446 -0.330 1.00 73.30 H new ATOM 0 HG21 VAL A 41 0.903 0.581 0.261 1.00 0.13 H new ATOM 0 HG22 VAL A 41 -0.162 -0.232 -0.910 1.00 0.13 H new ATOM 0 HG23 VAL A 41 -0.864 0.726 0.415 1.00 0.13 H new ATOM 491 N GLN A 42 -1.964 -2.756 3.065 1.00 33.50 N ATOM 492 CA GLN A 42 -2.076 -3.748 4.128 1.00 63.10 C ATOM 493 C GLN A 42 -3.130 -4.796 3.785 1.00 62.20 C ATOM 494 O GLN A 42 -2.953 -5.983 4.059 1.00 55.00 O ATOM 495 CB GLN A 42 -2.426 -3.071 5.453 1.00 31.20 C ATOM 496 CG GLN A 42 -1.232 -2.435 6.146 1.00 1.41 C ATOM 497 CD GLN A 42 -1.209 -2.705 7.637 1.00 15.40 C ATOM 498 OE1 GLN A 42 -1.366 -1.793 8.448 1.00 51.40 O ATOM 499 NE2 GLN A 42 -1.012 -3.965 8.007 1.00 24.40 N ATOM 0 H GLN A 42 -2.297 -1.826 3.320 1.00 33.50 H new ATOM 0 HA GLN A 42 -1.112 -4.247 4.227 1.00 63.10 H new ATOM 0 HB2 GLN A 42 -3.180 -2.305 5.272 1.00 31.20 H new ATOM 0 HB3 GLN A 42 -2.873 -3.808 6.121 1.00 31.20 H new ATOM 0 HG2 GLN A 42 -0.313 -2.814 5.698 1.00 1.41 H new ATOM 0 HG3 GLN A 42 -1.249 -1.358 5.976 1.00 1.41 H new ATOM 0 HE21 GLN A 42 -0.886 -4.690 7.301 1.00 24.40 H new ATOM 0 HE22 GLN A 42 -0.986 -4.208 8.997 1.00 24.40 H new ATOM 508 N TYR A 43 -4.228 -4.348 3.184 1.00 44.30 N ATOM 509 CA TYR A 43 -5.311 -5.248 2.805 1.00 42.10 C ATOM 510 C TYR A 43 -4.861 -6.209 1.709 1.00 0.02 C ATOM 511 O TYR A 43 -5.293 -7.360 1.663 1.00 70.50 O ATOM 512 CB TYR A 43 -6.526 -4.449 2.332 1.00 42.00 C ATOM 513 CG TYR A 43 -7.497 -4.110 3.440 1.00 34.40 C ATOM 514 CD1 TYR A 43 -7.075 -3.427 4.575 1.00 64.10 C ATOM 515 CD2 TYR A 43 -8.836 -4.473 3.353 1.00 1.31 C ATOM 516 CE1 TYR A 43 -7.960 -3.116 5.590 1.00 42.30 C ATOM 517 CE2 TYR A 43 -9.726 -4.165 4.363 1.00 23.30 C ATOM 518 CZ TYR A 43 -9.283 -3.487 5.480 1.00 73.10 C ATOM 519 OH TYR A 43 -10.167 -3.178 6.488 1.00 5.24 O ATOM 0 H TYR A 43 -4.391 -3.369 2.949 1.00 44.30 H new ATOM 0 HA TYR A 43 -5.589 -5.831 3.683 1.00 42.10 H new ATOM 0 HB2 TYR A 43 -6.184 -3.525 1.865 1.00 42.00 H new ATOM 0 HB3 TYR A 43 -7.049 -5.019 1.564 1.00 42.00 H new ATOM 0 HD1 TYR A 43 -6.039 -3.135 4.665 1.00 64.10 H new ATOM 0 HD2 TYR A 43 -9.186 -5.005 2.481 1.00 1.31 H new ATOM 0 HE1 TYR A 43 -7.617 -2.585 6.465 1.00 42.30 H new ATOM 0 HE2 TYR A 43 -10.763 -4.453 4.279 1.00 23.30 H new ATOM 0 HH TYR A 43 -11.059 -3.509 6.254 1.00 5.24 H new ATOM 529 N PHE A 44 -3.992 -5.725 0.831 1.00 13.40 N ATOM 530 CA PHE A 44 -3.480 -6.539 -0.265 1.00 61.10 C ATOM 531 C PHE A 44 -2.701 -7.737 0.266 1.00 23.40 C ATOM 532 O PHE A 44 -2.972 -8.880 -0.102 1.00 25.30 O ATOM 533 CB PHE A 44 -2.585 -5.692 -1.171 1.00 63.40 C ATOM 534 CG PHE A 44 -3.268 -5.235 -2.429 1.00 22.30 C ATOM 535 CD1 PHE A 44 -3.929 -6.140 -3.243 1.00 13.00 C ATOM 536 CD2 PHE A 44 -3.246 -3.899 -2.798 1.00 21.20 C ATOM 537 CE1 PHE A 44 -4.557 -5.722 -4.401 1.00 32.50 C ATOM 538 CE2 PHE A 44 -3.872 -3.475 -3.954 1.00 2.24 C ATOM 539 CZ PHE A 44 -4.529 -4.388 -4.757 1.00 15.20 C ATOM 0 H PHE A 44 -3.627 -4.773 0.856 1.00 13.40 H new ATOM 0 HA PHE A 44 -4.327 -6.910 -0.842 1.00 61.10 H new ATOM 0 HB2 PHE A 44 -2.241 -4.819 -0.616 1.00 63.40 H new ATOM 0 HB3 PHE A 44 -1.700 -6.270 -1.437 1.00 63.40 H new ATOM 0 HD1 PHE A 44 -3.954 -7.185 -2.970 1.00 13.00 H new ATOM 0 HD2 PHE A 44 -2.734 -3.181 -2.174 1.00 21.20 H new ATOM 0 HE1 PHE A 44 -5.069 -6.438 -5.027 1.00 32.50 H new ATOM 0 HE2 PHE A 44 -3.848 -2.431 -4.230 1.00 2.24 H new ATOM 0 HZ PHE A 44 -5.020 -4.059 -5.661 1.00 15.20 H new ATOM 549 N LEU A 45 -1.731 -7.468 1.134 1.00 30.10 N ATOM 550 CA LEU A 45 -0.912 -8.524 1.717 1.00 22.30 C ATOM 551 C LEU A 45 -1.760 -9.470 2.563 1.00 71.10 C ATOM 552 O LEU A 45 -1.442 -10.652 2.697 1.00 32.00 O ATOM 553 CB LEU A 45 0.204 -7.920 2.573 1.00 74.30 C ATOM 554 CG LEU A 45 1.473 -7.542 1.808 1.00 33.30 C ATOM 555 CD1 LEU A 45 2.533 -7.013 2.762 1.00 21.20 C ATOM 556 CD2 LEU A 45 2.002 -8.738 1.030 1.00 14.50 C ATOM 0 H LEU A 45 -1.493 -6.527 1.449 1.00 30.10 H new ATOM 0 HA LEU A 45 -0.468 -9.095 0.901 1.00 22.30 H new ATOM 0 HB2 LEU A 45 -0.181 -7.030 3.070 1.00 74.30 H new ATOM 0 HB3 LEU A 45 0.468 -8.632 3.355 1.00 74.30 H new ATOM 0 HG LEU A 45 1.226 -6.753 1.098 1.00 33.30 H new ATOM 0 HD11 LEU A 45 3.429 -6.749 2.200 1.00 21.20 H new ATOM 0 HD12 LEU A 45 2.153 -6.129 3.275 1.00 21.20 H new ATOM 0 HD13 LEU A 45 2.778 -7.781 3.496 1.00 21.20 H new ATOM 0 HD21 LEU A 45 2.905 -8.451 0.492 1.00 14.50 H new ATOM 0 HD22 LEU A 45 2.234 -9.548 1.721 1.00 14.50 H new ATOM 0 HD23 LEU A 45 1.247 -9.073 0.319 1.00 14.50 H new ATOM 568 N HIS A 46 -2.839 -8.943 3.132 1.00 53.20 N ATOM 569 CA HIS A 46 -3.733 -9.741 3.965 1.00 55.20 C ATOM 570 C HIS A 46 -4.281 -10.935 3.190 1.00 61.30 C ATOM 571 O HIS A 46 -4.150 -12.081 3.621 1.00 74.40 O ATOM 572 CB HIS A 46 -4.886 -8.879 4.481 1.00 11.40 C ATOM 573 CG HIS A 46 -5.688 -9.538 5.561 1.00 2.33 C ATOM 574 ND1 HIS A 46 -5.791 -9.029 6.839 1.00 61.10 N ATOM 575 CD2 HIS A 46 -6.428 -10.672 5.550 1.00 41.10 C ATOM 576 CE1 HIS A 46 -6.559 -9.821 7.566 1.00 44.30 C ATOM 577 NE2 HIS A 46 -6.958 -10.824 6.807 1.00 62.30 N ATOM 0 H HIS A 46 -3.116 -7.966 3.032 1.00 53.20 H new ATOM 0 HA HIS A 46 -3.160 -10.116 4.813 1.00 55.20 H new ATOM 0 HB2 HIS A 46 -4.485 -7.939 4.860 1.00 11.40 H new ATOM 0 HB3 HIS A 46 -5.545 -8.632 3.649 1.00 11.40 H new ATOM 0 HD2 HIS A 46 -6.574 -11.334 4.709 1.00 41.10 H new ATOM 0 HE1 HIS A 46 -6.816 -9.673 8.604 1.00 44.30 H new ATOM 0 HE2 HIS A 46 -7.563 -11.589 7.106 1.00 62.30 H new ATOM 586 N VAL A 47 -4.896 -10.658 2.045 1.00 14.40 N ATOM 587 CA VAL A 47 -5.465 -11.710 1.210 1.00 71.40 C ATOM 588 C VAL A 47 -4.382 -12.629 0.678 1.00 21.10 C ATOM 589 O VAL A 47 -4.589 -13.838 0.543 1.00 4.14 O ATOM 590 CB VAL A 47 -6.251 -11.124 0.022 1.00 44.10 C ATOM 591 CG1 VAL A 47 -7.563 -10.520 0.496 1.00 71.10 C ATOM 592 CG2 VAL A 47 -5.414 -10.089 -0.713 1.00 71.00 C ATOM 0 H VAL A 47 -5.013 -9.715 1.674 1.00 14.40 H new ATOM 0 HA VAL A 47 -6.147 -12.279 1.841 1.00 71.40 H new ATOM 0 HB VAL A 47 -6.480 -11.932 -0.673 1.00 44.10 H new ATOM 0 HG11 VAL A 47 -8.104 -10.111 -0.357 1.00 71.10 H new ATOM 0 HG12 VAL A 47 -8.167 -11.291 0.973 1.00 71.10 H new ATOM 0 HG13 VAL A 47 -7.359 -9.724 1.212 1.00 71.10 H new ATOM 0 HG21 VAL A 47 -5.986 -9.686 -1.549 1.00 71.00 H new ATOM 0 HG22 VAL A 47 -5.152 -9.281 -0.030 1.00 71.00 H new ATOM 0 HG23 VAL A 47 -4.504 -10.557 -1.088 1.00 71.00 H new ATOM 602 N VAL A 48 -3.219 -12.061 0.377 1.00 51.10 N ATOM 603 CA VAL A 48 -2.100 -12.834 -0.142 1.00 1.14 C ATOM 604 C VAL A 48 -1.587 -13.831 0.900 1.00 73.10 C ATOM 605 O VAL A 48 -1.176 -14.943 0.567 1.00 44.50 O ATOM 606 CB VAL A 48 -0.933 -11.929 -0.578 1.00 64.30 C ATOM 607 CG1 VAL A 48 0.167 -12.741 -1.247 1.00 51.40 C ATOM 608 CG2 VAL A 48 -1.434 -10.832 -1.507 1.00 1.21 C ATOM 0 H VAL A 48 -3.028 -11.065 0.485 1.00 51.10 H new ATOM 0 HA VAL A 48 -2.474 -13.373 -1.012 1.00 1.14 H new ATOM 0 HB VAL A 48 -0.510 -11.464 0.312 1.00 64.30 H new ATOM 0 HG11 VAL A 48 0.979 -12.078 -1.545 1.00 51.40 H new ATOM 0 HG12 VAL A 48 0.546 -13.486 -0.548 1.00 51.40 H new ATOM 0 HG13 VAL A 48 -0.235 -13.241 -2.128 1.00 51.40 H new ATOM 0 HG21 VAL A 48 -0.598 -10.200 -1.807 1.00 1.21 H new ATOM 0 HG22 VAL A 48 -1.885 -11.282 -2.392 1.00 1.21 H new ATOM 0 HG23 VAL A 48 -2.178 -10.228 -0.988 1.00 1.21 H new ATOM 618 N LYS A 49 -1.618 -13.417 2.164 1.00 50.10 N ATOM 619 CA LYS A 49 -1.158 -14.270 3.256 1.00 45.30 C ATOM 620 C LYS A 49 -2.122 -15.427 3.482 1.00 74.50 C ATOM 621 O LYS A 49 -1.711 -16.517 3.894 1.00 52.30 O ATOM 622 CB LYS A 49 -1.014 -13.454 4.541 1.00 2.10 C ATOM 623 CG LYS A 49 0.349 -12.804 4.701 1.00 54.40 C ATOM 624 CD LYS A 49 0.338 -11.740 5.785 1.00 74.10 C ATOM 625 CE LYS A 49 1.292 -10.603 5.458 1.00 34.20 C ATOM 626 NZ LYS A 49 2.711 -11.043 5.474 1.00 24.40 N ATOM 0 H LYS A 49 -1.955 -12.500 2.457 1.00 50.10 H new ATOM 0 HA LYS A 49 -0.185 -14.678 2.982 1.00 45.30 H new ATOM 0 HB2 LYS A 49 -1.780 -12.679 4.557 1.00 2.10 H new ATOM 0 HB3 LYS A 49 -1.200 -14.104 5.396 1.00 2.10 H new ATOM 0 HG2 LYS A 49 1.089 -13.566 4.946 1.00 54.40 H new ATOM 0 HG3 LYS A 49 0.653 -12.357 3.755 1.00 54.40 H new ATOM 0 HD2 LYS A 49 -0.672 -11.347 5.901 1.00 74.10 H new ATOM 0 HD3 LYS A 49 0.617 -12.188 6.739 1.00 74.10 H new ATOM 0 HE2 LYS A 49 1.049 -10.198 4.476 1.00 34.20 H new ATOM 0 HE3 LYS A 49 1.155 -9.796 6.178 1.00 34.20 H new ATOM 0 HZ1 LYS A 49 3.198 -10.676 4.632 1.00 24.40 H new ATOM 0 HZ2 LYS A 49 3.178 -10.679 6.329 1.00 24.40 H new ATOM 0 HZ3 LYS A 49 2.752 -12.082 5.472 1.00 24.40 H new ATOM 640 N TYR A 50 -3.401 -15.195 3.212 1.00 5.42 N ATOM 641 CA TYR A 50 -4.419 -16.225 3.387 1.00 0.20 C ATOM 642 C TYR A 50 -5.094 -16.556 2.059 1.00 3.44 C ATOM 643 O TYR A 50 -6.266 -16.927 2.023 1.00 70.30 O ATOM 644 CB TYR A 50 -5.471 -15.758 4.401 1.00 23.40 C ATOM 645 CG TYR A 50 -4.919 -15.570 5.797 1.00 32.20 C ATOM 646 CD1 TYR A 50 -3.986 -14.579 6.067 1.00 13.00 C ATOM 647 CD2 TYR A 50 -5.332 -16.384 6.844 1.00 24.50 C ATOM 648 CE1 TYR A 50 -3.483 -14.400 7.341 1.00 41.30 C ATOM 649 CE2 TYR A 50 -4.830 -16.216 8.122 1.00 74.10 C ATOM 650 CZ TYR A 50 -3.908 -15.220 8.364 1.00 43.40 C ATOM 651 OH TYR A 50 -3.408 -15.044 9.634 1.00 31.50 O ATOM 0 H TYR A 50 -3.758 -14.303 2.871 1.00 5.42 H new ATOM 0 HA TYR A 50 -3.931 -17.125 3.760 1.00 0.20 H new ATOM 0 HB2 TYR A 50 -5.902 -14.817 4.059 1.00 23.40 H new ATOM 0 HB3 TYR A 50 -6.281 -16.486 4.434 1.00 23.40 H new ATOM 0 HD1 TYR A 50 -3.647 -13.937 5.267 1.00 13.00 H new ATOM 0 HD2 TYR A 50 -6.058 -17.162 6.657 1.00 24.50 H new ATOM 0 HE1 TYR A 50 -2.760 -13.621 7.535 1.00 41.30 H new ATOM 0 HE2 TYR A 50 -5.158 -16.860 8.924 1.00 74.10 H new ATOM 0 HH TYR A 50 -3.810 -15.702 10.238 1.00 31.50 H new ATOM 661 N GLU A 51 -4.343 -16.426 0.971 1.00 35.50 N ATOM 662 CA GLU A 51 -4.865 -16.720 -0.359 1.00 53.10 C ATOM 663 C GLU A 51 -3.787 -16.538 -1.420 1.00 65.10 C ATOM 664 O GLU A 51 -3.693 -15.492 -2.058 1.00 2.51 O ATOM 665 CB GLU A 51 -6.053 -15.804 -0.669 1.00 72.40 C ATOM 666 CG GLU A 51 -7.056 -16.421 -1.631 1.00 23.30 C ATOM 667 CD GLU A 51 -8.493 -16.176 -1.212 1.00 73.10 C ATOM 668 OE1 GLU A 51 -8.767 -15.105 -0.632 1.00 61.10 O ATOM 669 OE2 GLU A 51 -9.339 -17.063 -1.464 1.00 63.20 O ATOM 0 H GLU A 51 -3.370 -16.119 0.984 1.00 35.50 H new ATOM 0 HA GLU A 51 -5.193 -17.759 -0.374 1.00 53.10 H new ATOM 0 HB2 GLU A 51 -6.561 -15.552 0.262 1.00 72.40 H new ATOM 0 HB3 GLU A 51 -5.682 -14.870 -1.092 1.00 72.40 H new ATOM 0 HG2 GLU A 51 -6.897 -16.011 -2.628 1.00 23.30 H new ATOM 0 HG3 GLU A 51 -6.878 -17.494 -1.696 1.00 23.30 H new ATOM 676 N ALA A 52 -2.970 -17.572 -1.603 1.00 70.30 N ATOM 677 CA ALA A 52 -1.893 -17.535 -2.588 1.00 13.40 C ATOM 678 C ALA A 52 -1.911 -18.777 -3.471 1.00 44.40 C ATOM 679 O ALA A 52 -1.348 -19.811 -3.117 1.00 54.40 O ATOM 680 CB ALA A 52 -0.545 -17.404 -1.892 1.00 33.20 C ATOM 0 H ALA A 52 -3.033 -18.446 -1.082 1.00 70.30 H new ATOM 0 HA ALA A 52 -2.050 -16.665 -3.225 1.00 13.40 H new ATOM 0 HB1 ALA A 52 0.249 -17.378 -2.638 1.00 33.20 H new ATOM 0 HB2 ALA A 52 -0.525 -16.484 -1.308 1.00 33.20 H new ATOM 0 HB3 ALA A 52 -0.393 -18.257 -1.230 1.00 33.20 H new ATOM 686 N GLN A 53 -2.561 -18.666 -4.620 1.00 54.30 N ATOM 687 CA GLN A 53 -2.655 -19.780 -5.558 1.00 2.03 C ATOM 688 C GLN A 53 -1.587 -19.673 -6.640 1.00 60.00 C ATOM 689 O GLN A 53 -0.595 -20.411 -6.620 1.00 5.24 O ATOM 690 CB GLN A 53 -4.042 -19.816 -6.202 1.00 43.20 C ATOM 691 CG GLN A 53 -5.051 -20.644 -5.420 1.00 3.12 C ATOM 692 CD GLN A 53 -5.271 -22.016 -6.020 1.00 71.10 C ATOM 693 OE1 GLN A 53 -5.459 -22.159 -7.232 1.00 43.10 O ATOM 694 NE2 GLN A 53 -5.254 -23.039 -5.176 1.00 43.40 N ATOM 0 H GLN A 53 -3.033 -17.815 -4.928 1.00 54.30 H new ATOM 0 HA GLN A 53 -2.494 -20.703 -5.002 1.00 2.03 H new ATOM 0 HB2 GLN A 53 -4.416 -18.797 -6.298 1.00 43.20 H new ATOM 0 HB3 GLN A 53 -3.956 -20.220 -7.211 1.00 43.20 H new ATOM 0 HG2 GLN A 53 -4.706 -20.753 -4.392 1.00 3.12 H new ATOM 0 HG3 GLN A 53 -6.001 -20.111 -5.383 1.00 3.12 H new ATOM 0 HE21 GLN A 53 -5.095 -22.877 -4.182 1.00 43.40 H new ATOM 0 HE22 GLN A 53 -5.400 -23.988 -5.521 1.00 43.40 H new ATOM 703 N GLY A 54 -1.786 -18.752 -7.577 1.00 33.10 N ATOM 704 CA GLY A 54 -0.822 -18.564 -8.645 1.00 23.30 C ATOM 705 C GLY A 54 0.222 -17.522 -8.318 1.00 73.50 C ATOM 706 O GLY A 54 0.179 -16.896 -7.252 1.00 32.40 O ATOM 0 H GLY A 54 -2.596 -18.133 -7.616 1.00 33.10 H new ATOM 0 HA2 GLY A 54 -0.328 -19.513 -8.853 1.00 23.30 H new ATOM 0 HA3 GLY A 54 -1.347 -18.272 -9.554 1.00 23.30 H new ATOM 710 N ASP A 55 1.167 -17.325 -9.230 1.00 63.10 N ATOM 711 CA ASP A 55 2.236 -16.354 -9.028 1.00 21.20 C ATOM 712 C ASP A 55 1.841 -14.989 -9.588 1.00 51.20 C ATOM 713 O ASP A 55 2.248 -13.952 -9.079 1.00 22.30 O ATOM 714 CB ASP A 55 3.530 -16.834 -9.689 1.00 63.50 C ATOM 715 CG ASP A 55 3.342 -17.137 -11.166 1.00 51.50 C ATOM 716 OD1 ASP A 55 2.590 -18.078 -11.485 1.00 70.00 O ATOM 717 OD2 ASP A 55 3.958 -16.432 -11.995 1.00 45.10 O ATOM 0 H ASP A 55 1.215 -17.825 -10.118 1.00 63.10 H new ATOM 0 HA ASP A 55 2.403 -16.256 -7.955 1.00 21.20 H new ATOM 0 HB2 ASP A 55 4.300 -16.072 -9.571 1.00 63.50 H new ATOM 0 HB3 ASP A 55 3.886 -17.729 -9.179 1.00 63.50 H new ATOM 722 N LYS A 56 1.033 -15.004 -10.651 1.00 65.30 N ATOM 723 CA LYS A 56 0.586 -13.772 -11.280 1.00 3.52 C ATOM 724 C LYS A 56 -0.201 -12.914 -10.296 1.00 43.30 C ATOM 725 O LYS A 56 -0.029 -11.694 -10.246 1.00 62.40 O ATOM 726 CB LYS A 56 -0.282 -14.089 -12.504 1.00 2.34 C ATOM 727 CG LYS A 56 0.512 -14.229 -13.792 1.00 51.30 C ATOM 728 CD LYS A 56 0.587 -12.914 -14.549 1.00 34.20 C ATOM 729 CE LYS A 56 1.717 -12.918 -15.565 1.00 54.50 C ATOM 730 NZ LYS A 56 1.480 -11.946 -16.666 1.00 54.00 N ATOM 0 H LYS A 56 0.680 -15.855 -11.088 1.00 65.30 H new ATOM 0 HA LYS A 56 1.466 -13.214 -11.598 1.00 3.52 H new ATOM 0 HB2 LYS A 56 -0.829 -15.014 -12.322 1.00 2.34 H new ATOM 0 HB3 LYS A 56 -1.023 -13.300 -12.628 1.00 2.34 H new ATOM 0 HG2 LYS A 56 1.520 -14.575 -13.563 1.00 51.30 H new ATOM 0 HG3 LYS A 56 0.050 -14.987 -14.424 1.00 51.30 H new ATOM 0 HD2 LYS A 56 -0.360 -12.732 -15.057 1.00 34.20 H new ATOM 0 HD3 LYS A 56 0.733 -12.095 -13.844 1.00 34.20 H new ATOM 0 HE2 LYS A 56 2.655 -12.678 -15.065 1.00 54.50 H new ATOM 0 HE3 LYS A 56 1.826 -13.919 -15.982 1.00 54.50 H new ATOM 0 HZ1 LYS A 56 2.274 -11.981 -17.337 1.00 54.00 H new ATOM 0 HZ2 LYS A 56 0.598 -12.190 -17.161 1.00 54.00 H new ATOM 0 HZ3 LYS A 56 1.402 -10.987 -16.272 1.00 54.00 H new ATOM 744 N ALA A 57 -1.066 -13.550 -9.515 1.00 12.30 N ATOM 745 CA ALA A 57 -1.877 -12.853 -8.534 1.00 34.30 C ATOM 746 C ALA A 57 -1.006 -12.124 -7.516 1.00 42.10 C ATOM 747 O ALA A 57 -1.213 -10.955 -7.223 1.00 21.40 O ATOM 748 CB ALA A 57 -2.819 -13.819 -7.833 1.00 61.50 C ATOM 0 H ALA A 57 -1.222 -14.558 -9.546 1.00 12.30 H new ATOM 0 HA ALA A 57 -2.473 -12.109 -9.062 1.00 34.30 H new ATOM 0 HB1 ALA A 57 -3.418 -13.277 -7.102 1.00 61.50 H new ATOM 0 HB2 ALA A 57 -3.477 -14.284 -8.568 1.00 61.50 H new ATOM 0 HB3 ALA A 57 -2.239 -14.590 -7.327 1.00 61.50 H new ATOM 754 N LYS A 58 -0.019 -12.842 -6.980 1.00 70.10 N ATOM 755 CA LYS A 58 0.888 -12.265 -5.993 1.00 61.40 C ATOM 756 C LYS A 58 1.826 -11.254 -6.641 1.00 30.30 C ATOM 757 O LYS A 58 2.233 -10.279 -6.011 1.00 42.30 O ATOM 758 CB LYS A 58 1.703 -13.376 -5.316 1.00 75.20 C ATOM 759 CG LYS A 58 0.846 -14.483 -4.731 1.00 35.50 C ATOM 760 CD LYS A 58 1.699 -15.651 -4.259 1.00 74.30 C ATOM 761 CE LYS A 58 2.228 -15.418 -2.853 1.00 53.30 C ATOM 762 NZ LYS A 58 3.549 -14.730 -2.863 1.00 24.20 N ATOM 0 H LYS A 58 0.171 -13.817 -7.212 1.00 70.10 H new ATOM 0 HA LYS A 58 0.291 -11.747 -5.242 1.00 61.40 H new ATOM 0 HB2 LYS A 58 2.391 -13.806 -6.044 1.00 75.20 H new ATOM 0 HB3 LYS A 58 2.310 -12.939 -4.523 1.00 75.20 H new ATOM 0 HG2 LYS A 58 0.265 -14.093 -3.895 1.00 35.50 H new ATOM 0 HG3 LYS A 58 0.134 -14.829 -5.480 1.00 35.50 H new ATOM 0 HD2 LYS A 58 1.108 -16.567 -4.280 1.00 74.30 H new ATOM 0 HD3 LYS A 58 2.534 -15.794 -4.945 1.00 74.30 H new ATOM 0 HE2 LYS A 58 1.511 -14.820 -2.290 1.00 53.30 H new ATOM 0 HE3 LYS A 58 2.320 -16.374 -2.337 1.00 53.30 H new ATOM 0 HZ1 LYS A 58 4.272 -15.360 -2.459 1.00 24.20 H new ATOM 0 HZ2 LYS A 58 3.807 -14.489 -3.841 1.00 24.20 H new ATOM 0 HZ3 LYS A 58 3.492 -13.860 -2.296 1.00 24.20 H new ATOM 776 N GLN A 59 2.170 -11.499 -7.903 1.00 22.20 N ATOM 777 CA GLN A 59 3.056 -10.599 -8.636 1.00 33.40 C ATOM 778 C GLN A 59 2.404 -9.248 -8.863 1.00 50.30 C ATOM 779 O GLN A 59 3.080 -8.220 -8.906 1.00 42.50 O ATOM 780 CB GLN A 59 3.444 -11.221 -9.979 1.00 63.00 C ATOM 781 CG GLN A 59 4.637 -10.551 -10.640 1.00 10.20 C ATOM 782 CD GLN A 59 4.227 -9.557 -11.706 1.00 63.00 C ATOM 783 OE1 GLN A 59 3.545 -8.576 -11.421 1.00 40.20 O ATOM 784 NE2 GLN A 59 4.642 -9.808 -12.942 1.00 50.10 N ATOM 0 H GLN A 59 1.851 -12.308 -8.436 1.00 22.20 H new ATOM 0 HA GLN A 59 3.952 -10.447 -8.035 1.00 33.40 H new ATOM 0 HB2 GLN A 59 3.669 -12.277 -9.829 1.00 63.00 H new ATOM 0 HB3 GLN A 59 2.590 -11.169 -10.654 1.00 63.00 H new ATOM 0 HG2 GLN A 59 5.230 -10.041 -9.881 1.00 10.20 H new ATOM 0 HG3 GLN A 59 5.277 -11.313 -11.085 1.00 10.20 H new ATOM 0 HE21 GLN A 59 5.207 -10.636 -13.132 1.00 50.10 H new ATOM 0 HE22 GLN A 59 4.396 -9.173 -13.701 1.00 50.10 H new ATOM 793 N SER A 60 1.083 -9.252 -9.009 1.00 50.40 N ATOM 794 CA SER A 60 0.335 -8.020 -9.233 1.00 5.24 C ATOM 795 C SER A 60 0.198 -7.222 -7.941 1.00 74.40 C ATOM 796 O SER A 60 0.568 -6.049 -7.881 1.00 64.10 O ATOM 797 CB SER A 60 -1.050 -8.335 -9.800 1.00 62.10 C ATOM 798 OG SER A 60 -0.956 -8.861 -11.113 1.00 71.30 O ATOM 0 H SER A 60 0.509 -10.094 -8.976 1.00 50.40 H new ATOM 0 HA SER A 60 0.887 -7.417 -9.954 1.00 5.24 H new ATOM 0 HB2 SER A 60 -1.557 -9.051 -9.153 1.00 62.10 H new ATOM 0 HB3 SER A 60 -1.657 -7.430 -9.810 1.00 62.10 H new ATOM 0 HG SER A 60 -0.662 -9.795 -11.071 1.00 71.30 H new ATOM 804 N ILE A 61 -0.336 -7.865 -6.907 1.00 54.00 N ATOM 805 CA ILE A 61 -0.522 -7.213 -5.616 1.00 75.40 C ATOM 806 C ILE A 61 0.804 -6.718 -5.051 1.00 2.22 C ATOM 807 O ILE A 61 0.878 -5.631 -4.478 1.00 31.30 O ATOM 808 CB ILE A 61 -1.179 -8.163 -4.594 1.00 1.24 C ATOM 809 CG1 ILE A 61 -0.386 -9.469 -4.493 1.00 1.40 C ATOM 810 CG2 ILE A 61 -2.623 -8.441 -4.982 1.00 4.23 C ATOM 811 CD1 ILE A 61 0.563 -9.510 -3.315 1.00 22.50 C ATOM 0 H ILE A 61 -0.647 -8.836 -6.938 1.00 54.00 H new ATOM 0 HA ILE A 61 -1.181 -6.362 -5.787 1.00 75.40 H new ATOM 0 HB ILE A 61 -1.173 -7.681 -3.616 1.00 1.24 H new ATOM 0 HG12 ILE A 61 -1.083 -10.303 -4.417 1.00 1.40 H new ATOM 0 HG13 ILE A 61 0.182 -9.612 -5.412 1.00 1.40 H new ATOM 0 HG21 ILE A 61 -3.073 -9.113 -4.251 1.00 4.23 H new ATOM 0 HG22 ILE A 61 -3.180 -7.504 -5.005 1.00 4.23 H new ATOM 0 HG23 ILE A 61 -2.652 -8.905 -5.968 1.00 4.23 H new ATOM 0 HD11 ILE A 61 1.091 -10.464 -3.306 1.00 22.50 H new ATOM 0 HD12 ILE A 61 1.284 -8.697 -3.400 1.00 22.50 H new ATOM 0 HD13 ILE A 61 -0.001 -9.399 -2.389 1.00 22.50 H new ATOM 823 N ARG A 62 1.850 -7.519 -5.217 1.00 3.51 N ATOM 824 CA ARG A 62 3.174 -7.159 -4.723 1.00 61.40 C ATOM 825 C ARG A 62 3.700 -5.917 -5.433 1.00 42.30 C ATOM 826 O ARG A 62 4.111 -4.950 -4.791 1.00 63.00 O ATOM 827 CB ARG A 62 4.143 -8.316 -4.915 1.00 50.40 C ATOM 828 CG ARG A 62 4.078 -9.360 -3.805 1.00 55.30 C ATOM 829 CD ARG A 62 5.433 -9.983 -3.546 1.00 53.30 C ATOM 830 NE ARG A 62 5.975 -10.630 -4.740 1.00 13.40 N ATOM 831 CZ ARG A 62 6.888 -11.603 -4.715 1.00 13.10 C ATOM 832 NH1 ARG A 62 7.368 -12.044 -3.559 1.00 15.30 N ATOM 833 NH2 ARG A 62 7.324 -12.134 -5.849 1.00 14.30 N ATOM 0 H ARG A 62 1.807 -8.422 -5.690 1.00 3.51 H new ATOM 0 HA ARG A 62 3.089 -6.939 -3.659 1.00 61.40 H new ATOM 0 HB2 ARG A 62 3.933 -8.799 -5.869 1.00 50.40 H new ATOM 0 HB3 ARG A 62 5.158 -7.923 -4.973 1.00 50.40 H new ATOM 0 HG2 ARG A 62 3.709 -8.897 -2.890 1.00 55.30 H new ATOM 0 HG3 ARG A 62 3.365 -10.138 -4.078 1.00 55.30 H new ATOM 0 HD2 ARG A 62 6.126 -9.214 -3.204 1.00 53.30 H new ATOM 0 HD3 ARG A 62 5.348 -10.716 -2.743 1.00 53.30 H new ATOM 0 HE ARG A 62 5.634 -10.318 -5.649 1.00 13.40 H new ATOM 0 HH11 ARG A 62 7.039 -11.639 -2.682 1.00 15.30 H new ATOM 0 HH12 ARG A 62 8.066 -12.788 -3.547 1.00 15.30 H new ATOM 0 HH21 ARG A 62 6.962 -11.799 -6.742 1.00 14.30 H new ATOM 0 HH22 ARG A 62 8.022 -12.878 -5.829 1.00 14.30 H new ATOM 847 N ALA A 63 3.681 -5.947 -6.762 1.00 32.30 N ATOM 848 CA ALA A 63 4.154 -4.820 -7.557 1.00 52.10 C ATOM 849 C ALA A 63 3.375 -3.552 -7.225 1.00 13.10 C ATOM 850 O ALA A 63 3.904 -2.444 -7.318 1.00 10.20 O ATOM 851 CB ALA A 63 4.043 -5.138 -9.040 1.00 51.40 C ATOM 0 H ALA A 63 3.344 -6.738 -7.310 1.00 32.30 H new ATOM 0 HA ALA A 63 5.202 -4.646 -7.312 1.00 52.10 H new ATOM 0 HB1 ALA A 63 4.399 -4.288 -9.622 1.00 51.40 H new ATOM 0 HB2 ALA A 63 4.648 -6.015 -9.270 1.00 51.40 H new ATOM 0 HB3 ALA A 63 3.002 -5.339 -9.292 1.00 51.40 H new ATOM 857 N LYS A 64 2.116 -3.723 -6.835 1.00 42.20 N ATOM 858 CA LYS A 64 1.264 -2.594 -6.485 1.00 62.50 C ATOM 859 C LYS A 64 1.548 -2.123 -5.062 1.00 33.10 C ATOM 860 O LYS A 64 1.498 -0.928 -4.772 1.00 41.10 O ATOM 861 CB LYS A 64 -0.210 -2.977 -6.625 1.00 32.50 C ATOM 862 CG LYS A 64 -0.697 -3.007 -8.064 1.00 54.20 C ATOM 863 CD LYS A 64 -2.214 -3.083 -8.137 1.00 11.00 C ATOM 864 CE LYS A 64 -2.701 -3.116 -9.577 1.00 13.50 C ATOM 865 NZ LYS A 64 -4.185 -3.028 -9.664 1.00 2.41 N ATOM 0 H LYS A 64 1.664 -4.634 -6.754 1.00 42.20 H new ATOM 0 HA LYS A 64 1.484 -1.776 -7.171 1.00 62.50 H new ATOM 0 HB2 LYS A 64 -0.366 -3.958 -6.177 1.00 32.50 H new ATOM 0 HB3 LYS A 64 -0.816 -2.269 -6.060 1.00 32.50 H new ATOM 0 HG2 LYS A 64 -0.351 -2.114 -8.585 1.00 54.20 H new ATOM 0 HG3 LYS A 64 -0.263 -3.865 -8.578 1.00 54.20 H new ATOM 0 HD2 LYS A 64 -2.560 -3.974 -7.614 1.00 11.00 H new ATOM 0 HD3 LYS A 64 -2.648 -2.224 -7.625 1.00 11.00 H new ATOM 0 HE2 LYS A 64 -2.255 -2.289 -10.130 1.00 13.50 H new ATOM 0 HE3 LYS A 64 -2.363 -4.036 -10.053 1.00 13.50 H new ATOM 0 HZ1 LYS A 64 -4.476 -3.054 -10.662 1.00 2.41 H new ATOM 0 HZ2 LYS A 64 -4.611 -3.831 -9.158 1.00 2.41 H new ATOM 0 HZ3 LYS A 64 -4.506 -2.138 -9.233 1.00 2.41 H new ATOM 879 N CYS A 65 1.845 -3.071 -4.179 1.00 44.30 N ATOM 880 CA CYS A 65 2.138 -2.752 -2.787 1.00 20.40 C ATOM 881 C CYS A 65 3.495 -2.068 -2.662 1.00 2.11 C ATOM 882 O CYS A 65 3.658 -1.128 -1.883 1.00 30.00 O ATOM 883 CB CYS A 65 2.115 -4.024 -1.935 1.00 14.40 C ATOM 884 SG CYS A 65 0.468 -4.741 -1.725 1.00 41.10 S ATOM 0 H CYS A 65 1.889 -4.065 -4.403 1.00 44.30 H new ATOM 0 HA CYS A 65 1.370 -2.067 -2.427 1.00 20.40 H new ATOM 0 HB2 CYS A 65 2.768 -4.767 -2.393 1.00 14.40 H new ATOM 0 HB3 CYS A 65 2.529 -3.798 -0.952 1.00 14.40 H new ATOM 0 HG CYS A 65 0.097 -5.308 -2.834 1.00 41.10 H new ATOM 890 N THR A 66 4.465 -2.544 -3.435 1.00 44.20 N ATOM 891 CA THR A 66 5.809 -1.977 -3.412 1.00 75.30 C ATOM 892 C THR A 66 5.806 -0.550 -3.948 1.00 62.00 C ATOM 893 O THR A 66 6.429 0.342 -3.373 1.00 75.40 O ATOM 894 CB THR A 66 6.764 -2.843 -4.237 1.00 1.31 C ATOM 895 OG1 THR A 66 8.101 -2.402 -4.083 1.00 30.40 O ATOM 896 CG2 THR A 66 6.449 -2.845 -5.717 1.00 44.20 C ATOM 0 H THR A 66 4.346 -3.321 -4.085 1.00 44.20 H new ATOM 0 HA THR A 66 6.151 -1.956 -2.377 1.00 75.30 H new ATOM 0 HB THR A 66 6.635 -3.856 -3.855 1.00 1.31 H new ATOM 0 HG1 THR A 66 8.696 -2.969 -4.617 1.00 30.40 H new ATOM 0 HG21 THR A 66 7.165 -3.479 -6.241 1.00 44.20 H new ATOM 0 HG22 THR A 66 5.441 -3.230 -5.874 1.00 44.20 H new ATOM 0 HG23 THR A 66 6.514 -1.828 -6.104 1.00 44.20 H new ATOM 904 N GLU A 67 5.098 -0.341 -5.053 1.00 13.50 N ATOM 905 CA GLU A 67 5.012 0.976 -5.670 1.00 65.40 C ATOM 906 C GLU A 67 4.274 1.955 -4.762 1.00 65.20 C ATOM 907 O GLU A 67 4.734 3.075 -4.536 1.00 13.50 O ATOM 908 CB GLU A 67 4.303 0.881 -7.022 1.00 2.43 C ATOM 909 CG GLU A 67 4.701 1.978 -7.996 1.00 51.30 C ATOM 910 CD GLU A 67 4.166 1.738 -9.394 1.00 13.10 C ATOM 911 OE1 GLU A 67 4.859 1.069 -10.189 1.00 43.10 O ATOM 912 OE2 GLU A 67 3.053 2.218 -9.694 1.00 62.00 O ATOM 0 H GLU A 67 4.575 -1.069 -5.540 1.00 13.50 H new ATOM 0 HA GLU A 67 6.026 1.346 -5.824 1.00 65.40 H new ATOM 0 HB2 GLU A 67 4.522 -0.088 -7.470 1.00 2.43 H new ATOM 0 HB3 GLU A 67 3.226 0.922 -6.862 1.00 2.43 H new ATOM 0 HG2 GLU A 67 4.332 2.936 -7.629 1.00 51.30 H new ATOM 0 HG3 GLU A 67 5.788 2.048 -8.034 1.00 51.30 H new ATOM 919 N TYR A 68 3.127 1.527 -4.244 1.00 15.20 N ATOM 920 CA TYR A 68 2.327 2.366 -3.361 1.00 54.10 C ATOM 921 C TYR A 68 3.117 2.753 -2.114 1.00 11.20 C ATOM 922 O TYR A 68 2.974 3.860 -1.595 1.00 70.00 O ATOM 923 CB TYR A 68 1.042 1.640 -2.958 1.00 60.40 C ATOM 924 CG TYR A 68 -0.042 1.694 -4.012 1.00 32.30 C ATOM 925 CD1 TYR A 68 -0.340 2.882 -4.668 1.00 73.30 C ATOM 926 CD2 TYR A 68 -0.765 0.558 -4.350 1.00 43.40 C ATOM 927 CE1 TYR A 68 -1.330 2.936 -5.631 1.00 72.10 C ATOM 928 CE2 TYR A 68 -1.756 0.603 -5.313 1.00 10.50 C ATOM 929 CZ TYR A 68 -2.034 1.794 -5.950 1.00 44.20 C ATOM 930 OH TYR A 68 -3.020 1.843 -6.908 1.00 3.21 O ATOM 0 H TYR A 68 2.731 0.604 -4.421 1.00 15.20 H new ATOM 0 HA TYR A 68 2.068 3.276 -3.903 1.00 54.10 H new ATOM 0 HB2 TYR A 68 1.276 0.597 -2.743 1.00 60.40 H new ATOM 0 HB3 TYR A 68 0.662 2.078 -2.035 1.00 60.40 H new ATOM 0 HD1 TYR A 68 0.211 3.778 -4.421 1.00 73.30 H new ATOM 0 HD2 TYR A 68 -0.550 -0.376 -3.853 1.00 43.40 H new ATOM 0 HE1 TYR A 68 -1.551 3.867 -6.131 1.00 72.10 H new ATOM 0 HE2 TYR A 68 -2.309 -0.290 -5.565 1.00 10.50 H new ATOM 0 HH TYR A 68 -3.418 0.954 -7.014 1.00 3.21 H new ATOM 940 N LEU A 69 3.950 1.833 -1.640 1.00 62.20 N ATOM 941 CA LEU A 69 4.763 2.078 -0.453 1.00 34.20 C ATOM 942 C LEU A 69 5.738 3.228 -0.690 1.00 40.40 C ATOM 943 O LEU A 69 5.944 4.069 0.185 1.00 61.20 O ATOM 944 CB LEU A 69 5.533 0.813 -0.068 1.00 72.20 C ATOM 945 CG LEU A 69 4.706 -0.254 0.650 1.00 71.30 C ATOM 946 CD1 LEU A 69 5.355 -1.622 0.499 1.00 74.40 C ATOM 947 CD2 LEU A 69 4.539 0.100 2.120 1.00 71.10 C ATOM 0 H LEU A 69 4.080 0.912 -2.058 1.00 62.20 H new ATOM 0 HA LEU A 69 4.096 2.353 0.364 1.00 34.20 H new ATOM 0 HB2 LEU A 69 5.957 0.375 -0.971 1.00 72.20 H new ATOM 0 HB3 LEU A 69 6.369 1.095 0.572 1.00 72.20 H new ATOM 0 HG LEU A 69 3.718 -0.290 0.192 1.00 71.30 H new ATOM 0 HD11 LEU A 69 4.753 -2.369 1.016 1.00 74.40 H new ATOM 0 HD12 LEU A 69 5.422 -1.878 -0.558 1.00 74.40 H new ATOM 0 HD13 LEU A 69 6.356 -1.600 0.931 1.00 74.40 H new ATOM 0 HD21 LEU A 69 3.948 -0.671 2.615 1.00 71.10 H new ATOM 0 HD22 LEU A 69 5.519 0.165 2.592 1.00 71.10 H new ATOM 0 HD23 LEU A 69 4.030 1.060 2.208 1.00 71.10 H new ATOM 959 N ASP A 70 6.334 3.257 -1.877 1.00 20.10 N ATOM 960 CA ASP A 70 7.287 4.304 -2.228 1.00 0.10 C ATOM 961 C ASP A 70 6.632 5.680 -2.163 1.00 61.50 C ATOM 962 O ASP A 70 7.156 6.597 -1.531 1.00 43.20 O ATOM 963 CB ASP A 70 7.850 4.059 -3.630 1.00 54.20 C ATOM 964 CG ASP A 70 8.997 3.069 -3.628 1.00 2.44 C ATOM 965 OD1 ASP A 70 9.907 3.216 -2.786 1.00 24.10 O ATOM 966 OD2 ASP A 70 8.985 2.145 -4.468 1.00 70.00 O ATOM 0 H ASP A 70 6.174 2.568 -2.612 1.00 20.10 H new ATOM 0 HA ASP A 70 8.103 4.276 -1.506 1.00 0.10 H new ATOM 0 HB2 ASP A 70 7.055 3.689 -4.278 1.00 54.20 H new ATOM 0 HB3 ASP A 70 8.191 5.005 -4.052 1.00 54.20 H new ATOM 971 N ARG A 71 5.485 5.815 -2.820 1.00 45.30 N ATOM 972 CA ARG A 71 4.759 7.080 -2.836 1.00 23.40 C ATOM 973 C ARG A 71 4.363 7.497 -1.423 1.00 62.10 C ATOM 974 O ARG A 71 4.283 8.687 -1.117 1.00 54.10 O ATOM 975 CB ARG A 71 3.512 6.965 -3.714 1.00 15.40 C ATOM 976 CG ARG A 71 3.111 8.273 -4.377 1.00 61.20 C ATOM 977 CD ARG A 71 2.612 8.050 -5.796 1.00 72.10 C ATOM 978 NE ARG A 71 1.240 7.549 -5.821 1.00 71.40 N ATOM 979 CZ ARG A 71 0.578 7.255 -6.938 1.00 44.30 C ATOM 980 NH1 ARG A 71 1.159 7.410 -8.121 1.00 1.33 N ATOM 981 NH2 ARG A 71 -0.667 6.804 -6.871 1.00 24.50 N ATOM 0 H ARG A 71 5.038 5.065 -3.348 1.00 45.30 H new ATOM 0 HA ARG A 71 5.418 7.843 -3.250 1.00 23.40 H new ATOM 0 HB2 ARG A 71 3.689 6.216 -4.486 1.00 15.40 H new ATOM 0 HB3 ARG A 71 2.682 6.606 -3.106 1.00 15.40 H new ATOM 0 HG2 ARG A 71 2.331 8.756 -3.788 1.00 61.20 H new ATOM 0 HG3 ARG A 71 3.965 8.950 -4.393 1.00 61.20 H new ATOM 0 HD2 ARG A 71 2.666 8.987 -6.351 1.00 72.10 H new ATOM 0 HD3 ARG A 71 3.266 7.341 -6.303 1.00 72.10 H new ATOM 0 HE ARG A 71 0.761 7.417 -4.930 1.00 71.40 H new ATOM 0 HH11 ARG A 71 2.117 7.756 -8.177 1.00 1.33 H new ATOM 0 HH12 ARG A 71 0.648 7.183 -8.974 1.00 1.33 H new ATOM 0 HH21 ARG A 71 -1.117 6.682 -5.964 1.00 24.50 H new ATOM 0 HH22 ARG A 71 -1.175 6.579 -7.727 1.00 24.50 H new ATOM 995 N ALA A 72 4.118 6.513 -0.566 1.00 44.10 N ATOM 996 CA ALA A 72 3.731 6.779 0.814 1.00 1.15 C ATOM 997 C ALA A 72 4.865 7.450 1.582 1.00 63.10 C ATOM 998 O ALA A 72 4.636 8.361 2.377 1.00 51.10 O ATOM 999 CB ALA A 72 3.317 5.488 1.504 1.00 72.10 C ATOM 0 H ALA A 72 4.181 5.523 -0.803 1.00 44.10 H new ATOM 0 HA ALA A 72 2.881 7.461 0.802 1.00 1.15 H new ATOM 0 HB1 ALA A 72 3.031 5.702 2.534 1.00 72.10 H new ATOM 0 HB2 ALA A 72 2.471 5.048 0.976 1.00 72.10 H new ATOM 0 HB3 ALA A 72 4.152 4.788 1.498 1.00 72.10 H new ATOM 1005 N GLU A 73 6.089 6.994 1.338 1.00 33.20 N ATOM 1006 CA GLU A 73 7.260 7.551 2.006 1.00 73.40 C ATOM 1007 C GLU A 73 7.595 8.933 1.454 1.00 11.10 C ATOM 1008 O GLU A 73 8.093 9.797 2.176 1.00 41.30 O ATOM 1009 CB GLU A 73 8.460 6.618 1.841 1.00 41.40 C ATOM 1010 CG GLU A 73 8.357 5.343 2.662 1.00 4.45 C ATOM 1011 CD GLU A 73 8.881 4.129 1.921 1.00 62.20 C ATOM 1012 OE1 GLU A 73 9.667 4.309 0.966 1.00 23.40 O ATOM 1013 OE2 GLU A 73 8.507 2.997 2.295 1.00 50.20 O ATOM 0 H GLU A 73 6.296 6.240 0.683 1.00 33.20 H new ATOM 0 HA GLU A 73 7.029 7.649 3.067 1.00 73.40 H new ATOM 0 HB2 GLU A 73 8.563 6.355 0.788 1.00 41.40 H new ATOM 0 HB3 GLU A 73 9.367 7.152 2.126 1.00 41.40 H new ATOM 0 HG2 GLU A 73 8.915 5.467 3.590 1.00 4.45 H new ATOM 0 HG3 GLU A 73 7.316 5.175 2.936 1.00 4.45 H new ATOM 1020 N LYS A 74 7.319 9.134 0.170 1.00 34.40 N ATOM 1021 CA LYS A 74 7.592 10.411 -0.480 1.00 23.50 C ATOM 1022 C LYS A 74 6.813 11.539 0.188 1.00 12.10 C ATOM 1023 O LYS A 74 7.374 12.583 0.519 1.00 1.32 O ATOM 1024 CB LYS A 74 7.234 10.338 -1.966 1.00 13.20 C ATOM 1025 CG LYS A 74 8.319 9.710 -2.823 1.00 33.30 C ATOM 1026 CD LYS A 74 8.252 10.210 -4.251 1.00 74.00 C ATOM 1027 CE LYS A 74 9.183 9.420 -5.163 1.00 41.00 C ATOM 1028 NZ LYS A 74 9.723 10.256 -6.264 1.00 43.20 N ATOM 0 H LYS A 74 6.907 8.429 -0.441 1.00 34.40 H new ATOM 0 HA LYS A 74 8.657 10.621 -0.380 1.00 23.50 H new ATOM 0 HB2 LYS A 74 6.314 9.765 -2.082 1.00 13.20 H new ATOM 0 HB3 LYS A 74 7.031 11.344 -2.332 1.00 13.20 H new ATOM 0 HG2 LYS A 74 9.297 9.940 -2.401 1.00 33.30 H new ATOM 0 HG3 LYS A 74 8.213 8.625 -2.810 1.00 33.30 H new ATOM 0 HD2 LYS A 74 7.229 10.131 -4.618 1.00 74.00 H new ATOM 0 HD3 LYS A 74 8.521 11.266 -4.281 1.00 74.00 H new ATOM 0 HE2 LYS A 74 10.008 9.016 -4.577 1.00 41.00 H new ATOM 0 HE3 LYS A 74 8.644 8.571 -5.583 1.00 41.00 H new ATOM 0 HZ1 LYS A 74 10.351 9.681 -6.861 1.00 43.20 H new ATOM 0 HZ2 LYS A 74 8.938 10.621 -6.840 1.00 43.20 H new ATOM 0 HZ3 LYS A 74 10.259 11.053 -5.864 1.00 43.20 H new ATOM 1042 N LEU A 75 5.517 11.320 0.385 1.00 72.10 N ATOM 1043 CA LEU A 75 4.660 12.318 1.014 1.00 72.40 C ATOM 1044 C LEU A 75 5.057 12.535 2.471 1.00 60.50 C ATOM 1045 O LEU A 75 5.079 13.665 2.957 1.00 23.40 O ATOM 1046 CB LEU A 75 3.194 11.888 0.932 1.00 74.10 C ATOM 1047 CG LEU A 75 2.711 11.498 -0.466 1.00 14.10 C ATOM 1048 CD1 LEU A 75 1.312 10.908 -0.403 1.00 53.30 C ATOM 1049 CD2 LEU A 75 2.742 12.703 -1.395 1.00 72.30 C ATOM 0 H LEU A 75 5.037 10.460 0.118 1.00 72.10 H new ATOM 0 HA LEU A 75 4.786 13.258 0.477 1.00 72.40 H new ATOM 0 HB2 LEU A 75 3.041 11.042 1.602 1.00 74.10 H new ATOM 0 HB3 LEU A 75 2.571 12.703 1.301 1.00 74.10 H new ATOM 0 HG LEU A 75 3.385 10.739 -0.864 1.00 14.10 H new ATOM 0 HD11 LEU A 75 0.986 10.637 -1.407 1.00 53.30 H new ATOM 0 HD12 LEU A 75 1.320 10.019 0.228 1.00 53.30 H new ATOM 0 HD13 LEU A 75 0.625 11.644 0.015 1.00 53.30 H new ATOM 0 HD21 LEU A 75 2.395 12.408 -2.385 1.00 72.30 H new ATOM 0 HD22 LEU A 75 2.091 13.483 -1.000 1.00 72.30 H new ATOM 0 HD23 LEU A 75 3.762 13.082 -1.466 1.00 72.30 H new ATOM 1061 N LYS A 76 5.371 11.444 3.163 1.00 73.10 N ATOM 1062 CA LYS A 76 5.767 11.515 4.563 1.00 31.50 C ATOM 1063 C LYS A 76 7.014 12.377 4.733 1.00 12.50 C ATOM 1064 O LYS A 76 7.154 13.096 5.722 1.00 3.34 O ATOM 1065 CB LYS A 76 6.025 10.110 5.114 1.00 2.04 C ATOM 1066 CG LYS A 76 5.598 9.938 6.563 1.00 63.20 C ATOM 1067 CD LYS A 76 6.499 8.956 7.295 1.00 72.30 C ATOM 1068 CE LYS A 76 7.559 9.676 8.112 1.00 23.30 C ATOM 1069 NZ LYS A 76 6.957 10.546 9.161 1.00 61.30 N ATOM 0 H LYS A 76 5.358 10.500 2.776 1.00 73.10 H new ATOM 0 HA LYS A 76 4.951 11.973 5.122 1.00 31.50 H new ATOM 0 HB2 LYS A 76 5.494 9.384 4.499 1.00 2.04 H new ATOM 0 HB3 LYS A 76 7.088 9.884 5.028 1.00 2.04 H new ATOM 0 HG2 LYS A 76 5.624 10.903 7.068 1.00 63.20 H new ATOM 0 HG3 LYS A 76 4.567 9.586 6.601 1.00 63.20 H new ATOM 0 HD2 LYS A 76 5.897 8.328 7.951 1.00 72.30 H new ATOM 0 HD3 LYS A 76 6.980 8.295 6.574 1.00 72.30 H new ATOM 0 HE2 LYS A 76 8.215 8.943 8.581 1.00 23.30 H new ATOM 0 HE3 LYS A 76 8.178 10.281 7.450 1.00 23.30 H new ATOM 0 HZ1 LYS A 76 7.666 10.747 9.895 1.00 61.30 H new ATOM 0 HZ2 LYS A 76 6.641 11.439 8.732 1.00 61.30 H new ATOM 0 HZ3 LYS A 76 6.143 10.061 9.590 1.00 61.30 H new ATOM 1083 N GLU A 77 7.917 12.300 3.760 1.00 71.40 N ATOM 1084 CA GLU A 77 9.151 13.075 3.799 1.00 64.40 C ATOM 1085 C GLU A 77 8.879 14.539 3.472 1.00 34.10 C ATOM 1086 O GLU A 77 9.214 15.434 4.247 1.00 53.40 O ATOM 1087 CB GLU A 77 10.172 12.501 2.815 1.00 61.20 C ATOM 1088 CG GLU A 77 10.769 11.177 3.263 1.00 42.00 C ATOM 1089 CD GLU A 77 12.240 11.054 2.912 1.00 41.20 C ATOM 1090 OE1 GLU A 77 13.068 11.686 3.600 1.00 21.20 O ATOM 1091 OE2 GLU A 77 12.561 10.326 1.951 1.00 2.11 O ATOM 0 H GLU A 77 7.817 11.708 2.935 1.00 71.40 H new ATOM 0 HA GLU A 77 9.559 13.014 4.808 1.00 64.40 H new ATOM 0 HB2 GLU A 77 9.693 12.365 1.845 1.00 61.20 H new ATOM 0 HB3 GLU A 77 10.976 13.224 2.675 1.00 61.20 H new ATOM 0 HG2 GLU A 77 10.646 11.073 4.341 1.00 42.00 H new ATOM 0 HG3 GLU A 77 10.219 10.359 2.799 1.00 42.00 H new ATOM 1098 N TYR A 78 8.263 14.772 2.318 1.00 21.40 N ATOM 1099 CA TYR A 78 7.938 16.125 1.882 1.00 50.30 C ATOM 1100 C TYR A 78 7.006 16.802 2.886 1.00 15.30 C ATOM 1101 O TYR A 78 7.057 18.019 3.072 1.00 3.13 O ATOM 1102 CB TYR A 78 7.299 16.083 0.486 1.00 13.10 C ATOM 1103 CG TYR A 78 6.267 17.163 0.236 1.00 5.43 C ATOM 1104 CD1 TYR A 78 4.967 17.024 0.702 1.00 53.40 C ATOM 1105 CD2 TYR A 78 6.594 18.317 -0.465 1.00 14.50 C ATOM 1106 CE1 TYR A 78 4.020 18.005 0.478 1.00 51.40 C ATOM 1107 CE2 TYR A 78 5.653 19.303 -0.694 1.00 13.40 C ATOM 1108 CZ TYR A 78 4.368 19.142 -0.220 1.00 52.20 C ATOM 1109 OH TYR A 78 3.428 20.121 -0.446 1.00 24.20 O ATOM 0 H TYR A 78 7.978 14.040 1.667 1.00 21.40 H new ATOM 0 HA TYR A 78 8.856 16.710 1.828 1.00 50.30 H new ATOM 0 HB2 TYR A 78 8.086 16.170 -0.263 1.00 13.10 H new ATOM 0 HB3 TYR A 78 6.830 15.110 0.344 1.00 13.10 H new ATOM 0 HD1 TYR A 78 4.691 16.134 1.249 1.00 53.40 H new ATOM 0 HD2 TYR A 78 7.600 18.446 -0.837 1.00 14.50 H new ATOM 0 HE1 TYR A 78 3.013 17.882 0.848 1.00 51.40 H new ATOM 0 HE2 TYR A 78 5.922 20.194 -1.241 1.00 13.40 H new ATOM 0 HH TYR A 78 3.836 20.855 -0.951 1.00 24.20 H new ATOM 1119 N LEU A 79 6.158 16.007 3.529 1.00 11.20 N ATOM 1120 CA LEU A 79 5.216 16.530 4.512 1.00 31.20 C ATOM 1121 C LEU A 79 5.948 17.037 5.751 1.00 62.40 C ATOM 1122 O LEU A 79 5.602 18.080 6.305 1.00 74.40 O ATOM 1123 CB LEU A 79 4.208 15.450 4.908 1.00 74.10 C ATOM 1124 CG LEU A 79 3.054 15.249 3.923 1.00 54.20 C ATOM 1125 CD1 LEU A 79 2.405 13.889 4.133 1.00 73.30 C ATOM 1126 CD2 LEU A 79 2.027 16.361 4.073 1.00 41.20 C ATOM 0 H LEU A 79 6.103 14.998 3.387 1.00 11.20 H new ATOM 0 HA LEU A 79 4.683 17.366 4.059 1.00 31.20 H new ATOM 0 HB2 LEU A 79 4.738 14.504 5.021 1.00 74.10 H new ATOM 0 HB3 LEU A 79 3.793 15.702 5.884 1.00 74.10 H new ATOM 0 HG LEU A 79 3.454 15.285 2.910 1.00 54.20 H new ATOM 0 HD11 LEU A 79 1.587 13.763 3.424 1.00 73.30 H new ATOM 0 HD12 LEU A 79 3.145 13.104 3.976 1.00 73.30 H new ATOM 0 HD13 LEU A 79 2.018 13.824 5.150 1.00 73.30 H new ATOM 0 HD21 LEU A 79 1.213 16.203 3.365 1.00 41.20 H new ATOM 0 HD22 LEU A 79 1.631 16.356 5.088 1.00 41.20 H new ATOM 0 HD23 LEU A 79 2.500 17.322 3.873 1.00 41.20 H new ATOM 1138 N LYS A 80 6.962 16.291 6.179 1.00 3.42 N ATOM 1139 CA LYS A 80 7.743 16.665 7.352 1.00 71.50 C ATOM 1140 C LYS A 80 8.831 17.668 6.985 1.00 72.50 C ATOM 1141 O LYS A 80 8.928 18.742 7.579 1.00 31.30 O ATOM 1142 CB LYS A 80 8.371 15.425 7.990 1.00 75.50 C ATOM 1143 CG LYS A 80 7.481 14.757 9.027 1.00 55.30 C ATOM 1144 CD LYS A 80 8.233 13.683 9.795 1.00 4.44 C ATOM 1145 CE LYS A 80 7.827 13.659 11.260 1.00 50.40 C ATOM 1146 NZ LYS A 80 8.966 13.293 12.146 1.00 13.20 N ATOM 0 H LYS A 80 7.261 15.425 5.731 1.00 3.42 H new ATOM 0 HA LYS A 80 7.070 17.133 8.070 1.00 71.50 H new ATOM 0 HB2 LYS A 80 8.607 14.704 7.207 1.00 75.50 H new ATOM 0 HB3 LYS A 80 9.314 15.706 8.459 1.00 75.50 H new ATOM 0 HG2 LYS A 80 7.104 15.507 9.722 1.00 55.30 H new ATOM 0 HG3 LYS A 80 6.615 14.315 8.535 1.00 55.30 H new ATOM 0 HD2 LYS A 80 8.038 12.709 9.346 1.00 4.44 H new ATOM 0 HD3 LYS A 80 9.305 13.861 9.716 1.00 4.44 H new ATOM 0 HE2 LYS A 80 7.444 14.639 11.547 1.00 50.40 H new ATOM 0 HE3 LYS A 80 7.015 12.946 11.400 1.00 50.40 H new ATOM 0 HZ1 LYS A 80 8.648 13.288 13.136 1.00 13.20 H new ATOM 0 HZ2 LYS A 80 9.315 12.348 11.890 1.00 13.20 H new ATOM 0 HZ3 LYS A 80 9.732 13.988 12.032 1.00 13.20 H new ATOM 1160 N ASN A 81 9.649 17.311 6.000 1.00 4.35 N ATOM 1161 CA ASN A 81 10.732 18.179 5.553 1.00 24.20 C ATOM 1162 C ASN A 81 10.185 19.500 5.020 1.00 62.30 C ATOM 1163 O ASN A 81 10.420 20.560 5.601 1.00 14.00 O ATOM 1164 CB ASN A 81 11.558 17.483 4.469 1.00 53.40 C ATOM 1165 CG ASN A 81 12.994 17.968 4.438 1.00 30.10 C ATOM 1166 OD1 ASN A 81 13.348 18.941 5.101 1.00 1.20 O ATOM 1167 ND2 ASN A 81 13.830 17.287 3.662 1.00 1.11 N ATOM 0 H ASN A 81 9.582 16.427 5.496 1.00 4.35 H new ATOM 0 HA ASN A 81 11.372 18.389 6.410 1.00 24.20 H new ATOM 0 HB2 ASN A 81 11.544 16.407 4.640 1.00 53.40 H new ATOM 0 HB3 ASN A 81 11.097 17.657 3.497 1.00 53.40 H new ATOM 0 HD21 ASN A 81 14.809 17.566 3.599 1.00 1.11 H new ATOM 0 HD22 ASN A 81 13.493 16.485 3.129 1.00 1.11 H new TER 1174 ASN A 81 ATOM 1175 N ASP B 116 8.604 -10.676 -1.268 1.00 72.20 N ATOM 1176 CA ASP B 116 7.537 -10.369 -0.325 1.00 21.30 C ATOM 1177 C ASP B 116 8.096 -9.739 0.947 1.00 15.30 C ATOM 1178 O ASP B 116 7.417 -8.961 1.616 1.00 55.20 O ATOM 1179 CB ASP B 116 6.747 -11.631 0.021 1.00 43.10 C ATOM 1180 CG ASP B 116 5.574 -11.347 0.941 1.00 55.50 C ATOM 1181 OD1 ASP B 116 4.893 -10.325 0.735 1.00 50.30 O ATOM 1182 OD2 ASP B 116 5.339 -12.149 1.867 1.00 63.00 O ATOM 0 HA ASP B 116 6.867 -9.652 -0.800 1.00 21.30 H new ATOM 0 HB2 ASP B 116 6.382 -12.090 -0.897 1.00 43.10 H new ATOM 0 HB3 ASP B 116 7.411 -12.353 0.496 1.00 43.10 H new ATOM 1187 N GLU B 117 9.336 -10.080 1.276 1.00 43.20 N ATOM 1188 CA GLU B 117 9.987 -9.552 2.471 1.00 42.30 C ATOM 1189 C GLU B 117 10.036 -8.026 2.435 1.00 33.00 C ATOM 1190 O GLU B 117 9.706 -7.366 3.417 1.00 70.10 O ATOM 1191 CB GLU B 117 11.402 -10.114 2.599 1.00 31.40 C ATOM 1192 CG GLU B 117 11.456 -11.476 3.273 1.00 54.10 C ATOM 1193 CD GLU B 117 11.863 -11.387 4.731 1.00 11.40 C ATOM 1194 OE1 GLU B 117 11.266 -10.573 5.466 1.00 44.40 O ATOM 1195 OE2 GLU B 117 12.781 -12.136 5.137 1.00 20.20 O ATOM 0 H GLU B 117 9.913 -10.721 0.731 1.00 43.20 H new ATOM 0 HA GLU B 117 9.402 -9.860 3.337 1.00 42.30 H new ATOM 0 HB2 GLU B 117 11.845 -10.191 1.606 1.00 31.40 H new ATOM 0 HB3 GLU B 117 12.013 -9.412 3.167 1.00 31.40 H new ATOM 0 HG2 GLU B 117 10.478 -11.953 3.201 1.00 54.10 H new ATOM 0 HG3 GLU B 117 12.162 -12.114 2.740 1.00 54.10 H new ATOM 1202 N GLU B 118 10.452 -7.477 1.298 1.00 64.20 N ATOM 1203 CA GLU B 118 10.546 -6.035 1.136 1.00 42.20 C ATOM 1204 C GLU B 118 9.175 -5.381 1.283 1.00 25.40 C ATOM 1205 O GLU B 118 9.041 -4.332 1.908 1.00 64.30 O ATOM 1206 CB GLU B 118 11.140 -5.684 -0.230 1.00 14.10 C ATOM 1207 CG GLU B 118 11.908 -4.374 -0.245 1.00 32.30 C ATOM 1208 CD GLU B 118 13.378 -4.556 0.092 1.00 25.50 C ATOM 1209 OE1 GLU B 118 14.171 -4.829 -0.835 1.00 45.30 O ATOM 1210 OE2 GLU B 118 13.735 -4.425 1.280 1.00 33.50 O ATOM 0 H GLU B 118 10.729 -8.012 0.475 1.00 64.20 H new ATOM 0 HA GLU B 118 11.203 -5.654 1.918 1.00 42.20 H new ATOM 0 HB2 GLU B 118 11.805 -6.488 -0.544 1.00 14.10 H new ATOM 0 HB3 GLU B 118 10.335 -5.631 -0.963 1.00 14.10 H new ATOM 0 HG2 GLU B 118 11.819 -3.916 -1.230 1.00 32.30 H new ATOM 0 HG3 GLU B 118 11.458 -3.685 0.469 1.00 32.30 H new ATOM 1217 N ILE B 119 8.158 -6.011 0.703 1.00 20.50 N ATOM 1218 CA ILE B 119 6.800 -5.499 0.769 1.00 0.23 C ATOM 1219 C ILE B 119 6.214 -5.672 2.167 1.00 44.20 C ATOM 1220 O ILE B 119 5.538 -4.781 2.682 1.00 55.40 O ATOM 1221 CB ILE B 119 5.885 -6.201 -0.254 1.00 30.00 C ATOM 1222 CG1 ILE B 119 6.495 -6.119 -1.655 1.00 3.35 C ATOM 1223 CG2 ILE B 119 4.493 -5.583 -0.240 1.00 72.30 C ATOM 1224 CD1 ILE B 119 5.633 -6.745 -2.730 1.00 12.40 C ATOM 0 H ILE B 119 8.253 -6.882 0.180 1.00 20.50 H new ATOM 0 HA ILE B 119 6.849 -4.437 0.530 1.00 0.23 H new ATOM 0 HB ILE B 119 5.795 -7.251 0.025 1.00 30.00 H new ATOM 0 HG12 ILE B 119 6.670 -5.073 -1.905 1.00 3.35 H new ATOM 0 HG13 ILE B 119 7.467 -6.612 -1.648 1.00 3.35 H new ATOM 0 HG21 ILE B 119 3.862 -6.092 -0.969 1.00 72.30 H new ATOM 0 HG22 ILE B 119 4.058 -5.689 0.754 1.00 72.30 H new ATOM 0 HG23 ILE B 119 4.562 -4.526 -0.495 1.00 72.30 H new ATOM 0 HD11 ILE B 119 6.129 -6.649 -3.696 1.00 12.40 H new ATOM 0 HD12 ILE B 119 5.479 -7.800 -2.504 1.00 12.40 H new ATOM 0 HD13 ILE B 119 4.669 -6.237 -2.765 1.00 12.40 H new ATOM 1236 N GLU B 120 6.475 -6.815 2.777 1.00 64.20 N ATOM 1237 CA GLU B 120 5.975 -7.105 4.116 1.00 43.50 C ATOM 1238 C GLU B 120 6.712 -6.278 5.162 1.00 34.20 C ATOM 1239 O GLU B 120 6.099 -5.745 6.087 1.00 41.30 O ATOM 1240 CB GLU B 120 6.133 -8.598 4.432 1.00 32.10 C ATOM 1241 CG GLU B 120 5.552 -9.000 5.777 1.00 42.00 C ATOM 1242 CD GLU B 120 6.589 -9.007 6.882 1.00 34.40 C ATOM 1243 OE1 GLU B 120 7.638 -8.347 6.716 1.00 51.30 O ATOM 1244 OE2 GLU B 120 6.352 -9.669 7.913 1.00 44.40 O ATOM 0 H GLU B 120 7.033 -7.563 2.366 1.00 64.20 H new ATOM 0 HA GLU B 120 4.918 -6.842 4.145 1.00 43.50 H new ATOM 0 HB2 GLU B 120 5.649 -9.180 3.648 1.00 32.10 H new ATOM 0 HB3 GLU B 120 7.192 -8.855 4.412 1.00 32.10 H new ATOM 0 HG2 GLU B 120 4.749 -8.312 6.042 1.00 42.00 H new ATOM 0 HG3 GLU B 120 5.108 -9.992 5.695 1.00 42.00 H new ATOM 1251 N ARG B 121 8.026 -6.166 5.008 1.00 63.20 N ATOM 1252 CA ARG B 121 8.844 -5.401 5.940 1.00 33.30 C ATOM 1253 C ARG B 121 8.578 -3.908 5.794 1.00 31.50 C ATOM 1254 O ARG B 121 8.584 -3.168 6.779 1.00 25.20 O ATOM 1255 CB ARG B 121 10.329 -5.691 5.705 1.00 20.00 C ATOM 1256 CG ARG B 121 11.234 -5.133 6.793 1.00 22.30 C ATOM 1257 CD ARG B 121 11.821 -3.789 6.397 1.00 31.40 C ATOM 1258 NE ARG B 121 13.117 -3.927 5.740 1.00 32.40 N ATOM 1259 CZ ARG B 121 14.211 -4.391 6.346 1.00 52.30 C ATOM 1260 NH1 ARG B 121 14.165 -4.758 7.620 1.00 12.40 N ATOM 1261 NH2 ARG B 121 15.347 -4.479 5.674 1.00 23.40 N ATOM 0 H ARG B 121 8.548 -6.596 4.245 1.00 63.20 H new ATOM 0 HA ARG B 121 8.578 -5.704 6.953 1.00 33.30 H new ATOM 0 HB2 ARG B 121 10.475 -6.769 5.639 1.00 20.00 H new ATOM 0 HB3 ARG B 121 10.626 -5.270 4.744 1.00 20.00 H new ATOM 0 HG2 ARG B 121 10.668 -5.025 7.718 1.00 22.30 H new ATOM 0 HG3 ARG B 121 12.041 -5.838 6.993 1.00 22.30 H new ATOM 0 HD2 ARG B 121 11.130 -3.275 5.729 1.00 31.40 H new ATOM 0 HD3 ARG B 121 11.930 -3.166 7.285 1.00 31.40 H new ATOM 0 HE ARG B 121 13.190 -3.653 4.760 1.00 32.40 H new ATOM 0 HH11 ARG B 121 13.291 -4.686 8.140 1.00 12.40 H new ATOM 0 HH12 ARG B 121 15.004 -5.112 8.079 1.00 12.40 H new ATOM 0 HH21 ARG B 121 15.384 -4.193 4.696 1.00 23.40 H new ATOM 0 HH22 ARG B 121 16.186 -4.833 6.134 1.00 23.40 H new ATOM 1275 N GLN B 122 8.344 -3.470 4.562 1.00 13.20 N ATOM 1276 CA GLN B 122 8.074 -2.063 4.288 1.00 54.30 C ATOM 1277 C GLN B 122 6.832 -1.592 5.040 1.00 63.10 C ATOM 1278 O GLN B 122 6.829 -0.518 5.642 1.00 62.10 O ATOM 1279 CB GLN B 122 7.891 -1.840 2.786 1.00 62.20 C ATOM 1280 CG GLN B 122 9.176 -1.462 2.067 1.00 10.20 C ATOM 1281 CD GLN B 122 8.962 -1.196 0.590 1.00 44.50 C ATOM 1282 OE1 GLN B 122 8.963 -0.048 0.148 1.00 32.20 O ATOM 1283 NE2 GLN B 122 8.774 -2.261 -0.181 1.00 60.30 N ATOM 0 H GLN B 122 8.336 -4.069 3.737 1.00 13.20 H new ATOM 0 HA GLN B 122 8.928 -1.480 4.632 1.00 54.30 H new ATOM 0 HB2 GLN B 122 7.488 -2.748 2.339 1.00 62.20 H new ATOM 0 HB3 GLN B 122 7.153 -1.053 2.631 1.00 62.20 H new ATOM 0 HG2 GLN B 122 9.601 -0.574 2.534 1.00 10.20 H new ATOM 0 HG3 GLN B 122 9.904 -2.265 2.186 1.00 10.20 H new ATOM 0 HE21 GLN B 122 8.781 -3.195 0.229 1.00 60.30 H new ATOM 0 HE22 GLN B 122 8.622 -2.145 -1.183 1.00 60.30 H new ATOM 1292 N LEU B 123 5.780 -2.403 5.000 1.00 33.30 N ATOM 1293 CA LEU B 123 4.532 -2.069 5.677 1.00 13.50 C ATOM 1294 C LEU B 123 4.750 -1.936 7.181 1.00 14.30 C ATOM 1295 O LEU B 123 4.299 -0.972 7.801 1.00 23.10 O ATOM 1296 CB LEU B 123 3.472 -3.135 5.395 1.00 62.50 C ATOM 1297 CG LEU B 123 2.593 -2.865 4.172 1.00 64.10 C ATOM 1298 CD1 LEU B 123 3.406 -2.990 2.893 1.00 41.30 C ATOM 1299 CD2 LEU B 123 1.408 -3.819 4.149 1.00 35.20 C ATOM 0 H LEU B 123 5.767 -3.296 4.506 1.00 33.30 H new ATOM 0 HA LEU B 123 4.183 -1.111 5.292 1.00 13.50 H new ATOM 0 HB2 LEU B 123 3.970 -4.095 5.261 1.00 62.50 H new ATOM 0 HB3 LEU B 123 2.831 -3.229 6.271 1.00 62.50 H new ATOM 0 HG LEU B 123 2.213 -1.846 4.238 1.00 64.10 H new ATOM 0 HD11 LEU B 123 2.765 -2.795 2.034 1.00 41.30 H new ATOM 0 HD12 LEU B 123 4.222 -2.267 2.908 1.00 41.30 H new ATOM 0 HD13 LEU B 123 3.815 -3.998 2.819 1.00 41.30 H new ATOM 0 HD21 LEU B 123 0.793 -3.614 3.273 1.00 35.20 H new ATOM 0 HD22 LEU B 123 1.769 -4.847 4.106 1.00 35.20 H new ATOM 0 HD23 LEU B 123 0.812 -3.681 5.051 1.00 35.20 H new ATOM 1311 N LYS B 124 5.443 -2.909 7.763 1.00 32.00 N ATOM 1312 CA LYS B 124 5.721 -2.900 9.194 1.00 35.30 C ATOM 1313 C LYS B 124 6.607 -1.716 9.569 1.00 43.30 C ATOM 1314 O LYS B 124 6.510 -1.181 10.673 1.00 3.15 O ATOM 1315 CB LYS B 124 6.393 -4.209 9.613 1.00 52.40 C ATOM 1316 CG LYS B 124 6.634 -4.317 11.109 1.00 25.10 C ATOM 1317 CD LYS B 124 7.852 -5.172 11.418 1.00 62.10 C ATOM 1318 CE LYS B 124 8.160 -5.188 12.906 1.00 73.10 C ATOM 1319 NZ LYS B 124 7.266 -6.119 13.648 1.00 4.34 N ATOM 0 H LYS B 124 5.823 -3.714 7.265 1.00 32.00 H new ATOM 0 HA LYS B 124 4.773 -2.802 9.722 1.00 35.30 H new ATOM 0 HB2 LYS B 124 5.772 -5.045 9.292 1.00 52.40 H new ATOM 0 HB3 LYS B 124 7.346 -4.301 9.092 1.00 52.40 H new ATOM 0 HG2 LYS B 124 6.772 -3.321 11.529 1.00 25.10 H new ATOM 0 HG3 LYS B 124 5.755 -4.747 11.590 1.00 25.10 H new ATOM 0 HD2 LYS B 124 7.680 -6.191 11.070 1.00 62.10 H new ATOM 0 HD3 LYS B 124 8.714 -4.790 10.871 1.00 62.10 H new ATOM 0 HE2 LYS B 124 9.198 -5.483 13.059 1.00 73.10 H new ATOM 0 HE3 LYS B 124 8.052 -4.181 13.310 1.00 73.10 H new ATOM 0 HZ1 LYS B 124 7.508 -6.101 14.659 1.00 4.34 H new ATOM 0 HZ2 LYS B 124 6.277 -5.823 13.524 1.00 4.34 H new ATOM 0 HZ3 LYS B 124 7.388 -7.084 13.280 1.00 4.34 H new ATOM 1333 N ALA B 125 7.472 -1.314 8.643 1.00 22.20 N ATOM 1334 CA ALA B 125 8.376 -0.195 8.877 1.00 14.40 C ATOM 1335 C ALA B 125 7.618 1.128 8.891 1.00 51.20 C ATOM 1336 O ALA B 125 7.884 1.998 9.721 1.00 32.30 O ATOM 1337 CB ALA B 125 9.467 -0.169 7.818 1.00 12.40 C ATOM 0 H ALA B 125 7.565 -1.747 7.724 1.00 22.20 H new ATOM 0 HA ALA B 125 8.837 -0.330 9.855 1.00 14.40 H new ATOM 0 HB1 ALA B 125 10.135 0.672 8.005 1.00 12.40 H new ATOM 0 HB2 ALA B 125 10.034 -1.099 7.857 1.00 12.40 H new ATOM 0 HB3 ALA B 125 9.015 -0.061 6.832 1.00 12.40 H new ATOM 1343 N LEU B 126 6.674 1.274 7.967 1.00 64.20 N ATOM 1344 CA LEU B 126 5.877 2.492 7.874 1.00 45.40 C ATOM 1345 C LEU B 126 4.992 2.660 9.106 1.00 13.10 C ATOM 1346 O LEU B 126 4.696 3.779 9.522 1.00 13.30 O ATOM 1347 CB LEU B 126 5.014 2.467 6.611 1.00 43.00 C ATOM 1348 CG LEU B 126 5.689 3.022 5.355 1.00 2.22 C ATOM 1349 CD1 LEU B 126 4.725 3.000 4.179 1.00 41.10 C ATOM 1350 CD2 LEU B 126 6.197 4.433 5.604 1.00 43.40 C ATOM 0 H LEU B 126 6.442 0.564 7.272 1.00 64.20 H new ATOM 0 HA LEU B 126 6.560 3.340 7.822 1.00 45.40 H new ATOM 0 HB2 LEU B 126 4.710 1.438 6.417 1.00 43.00 H new ATOM 0 HB3 LEU B 126 4.105 3.038 6.799 1.00 43.00 H new ATOM 0 HG LEU B 126 6.542 2.388 5.112 1.00 2.22 H new ATOM 0 HD11 LEU B 126 5.221 3.398 3.294 1.00 41.10 H new ATOM 0 HD12 LEU B 126 4.408 1.975 3.987 1.00 41.10 H new ATOM 0 HD13 LEU B 126 3.853 3.611 4.412 1.00 41.10 H new ATOM 0 HD21 LEU B 126 6.674 4.813 4.701 1.00 43.40 H new ATOM 0 HD22 LEU B 126 5.361 5.079 5.871 1.00 43.40 H new ATOM 0 HD23 LEU B 126 6.921 4.421 6.419 1.00 43.40 H new ATOM 1362 N GLY B 127 4.574 1.538 9.684 1.00 22.10 N ATOM 1363 CA GLY B 127 3.727 1.583 10.861 1.00 41.30 C ATOM 1364 C GLY B 127 4.383 2.310 12.020 1.00 22.30 C ATOM 1365 O GLY B 127 3.699 2.890 12.864 1.00 13.40 O ATOM 0 H GLY B 127 4.807 0.600 9.358 1.00 22.10 H new ATOM 0 HA2 GLY B 127 2.788 2.077 10.611 1.00 41.30 H new ATOM 0 HA3 GLY B 127 3.480 0.566 11.167 1.00 41.30 H new ATOM 1369 N VAL B 128 5.711 2.277 12.062 1.00 40.40 N ATOM 1370 CA VAL B 128 6.459 2.937 13.124 1.00 45.20 C ATOM 1371 C VAL B 128 6.979 4.296 12.669 1.00 42.40 C ATOM 1372 O VAL B 128 6.748 4.710 11.533 1.00 22.10 O ATOM 1373 CB VAL B 128 7.646 2.076 13.594 1.00 0.44 C ATOM 1374 CG1 VAL B 128 7.154 0.796 14.248 1.00 25.40 C ATOM 1375 CG2 VAL B 128 8.574 1.767 12.429 1.00 12.20 C ATOM 0 H VAL B 128 6.291 1.800 11.372 1.00 40.40 H new ATOM 0 HA VAL B 128 5.769 3.076 13.956 1.00 45.20 H new ATOM 0 HB VAL B 128 8.208 2.641 14.338 1.00 0.44 H new ATOM 0 HG11 VAL B 128 8.008 0.202 14.573 1.00 25.40 H new ATOM 0 HG12 VAL B 128 6.535 1.043 15.110 1.00 25.40 H new ATOM 0 HG13 VAL B 128 6.566 0.224 13.531 1.00 25.40 H new ATOM 0 HG21 VAL B 128 9.407 1.158 12.779 1.00 12.20 H new ATOM 0 HG22 VAL B 128 8.025 1.223 11.661 1.00 12.20 H new ATOM 0 HG23 VAL B 128 8.956 2.698 12.011 1.00 12.20 H new ATOM 1385 N ASP B 129 7.683 4.984 13.562 1.00 54.10 N ATOM 1386 CA ASP B 129 8.236 6.297 13.250 1.00 2.13 C ATOM 1387 C ASP B 129 9.348 6.664 14.228 1.00 3.44 C ATOM 1388 O ASP B 129 10.484 6.905 13.767 1.00 32.20 O ATOM 1389 CB ASP B 129 7.137 7.360 13.288 1.00 30.40 C ATOM 1390 CG ASP B 129 7.466 8.563 12.427 1.00 53.50 C ATOM 1391 OD1 ASP B 129 8.017 8.371 11.323 1.00 22.00 O ATOM 1392 OD2 ASP B 129 7.172 9.699 12.857 1.00 3.24 O ATOM 1393 OXT ASP B 129 9.074 6.708 15.445 1.00 38.00 O ATOM 0 H ASP B 129 7.884 4.655 14.506 1.00 54.10 H new ATOM 0 HA ASP B 129 8.657 6.257 12.245 1.00 2.13 H new ATOM 0 HB2 ASP B 129 6.199 6.921 12.950 1.00 30.40 H new ATOM 0 HB3 ASP B 129 6.985 7.684 14.317 1.00 30.40 H new TER 1398 ASP B 129