USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 574 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 ASN : amide:sc= 1.58 K(o=2.2,f=-3.6!) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= 0.63 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 82:sc= 1.27 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 79:sc= 1.25 USER MOD Single : A 30 ASN : amide:sc= 0.75 X(o=0.75,f=0.33) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 19:sc= 1.24 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.149 X(o=-0.15,f=-0.16) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 53 SER OG : rot 74:sc= 1.34 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc=-0.00766 X(o=-0.0077,f=-0.23) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -161:sc= 0 (180deg=-0.401) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.214 K(o=-0.21,f=-2.4!) USER MOD Single : A 83 MET CE :methyl -176:sc= -0.703 (180deg=-0.77) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 14 -4.456 -2.673 -3.400 0.49 2.32 N ATOM 2 CA ASN A 14 -3.506 -2.387 -4.495 0.49 1.92 C ATOM 3 C ASN A 14 -2.086 -2.311 -3.949 0.49 1.67 C ATOM 4 O ASN A 14 -1.913 -1.859 -2.817 0.49 1.85 O ATOM 5 CB ASN A 14 -3.868 -1.109 -5.284 0.49 2.31 C ATOM 6 CG ASN A 14 -3.815 0.179 -4.462 0.49 2.56 C ATOM 7 OD1 ASN A 14 -4.792 0.563 -3.838 0.49 3.16 O ATOM 8 ND2 ASN A 14 -2.700 0.879 -4.426 0.49 3.64 N ATOM 0 HA ASN A 14 -3.572 -3.211 -5.205 0.49 1.92 H new ATOM 0 HB2 ASN A 14 -3.187 -1.014 -6.130 0.49 2.31 H new ATOM 0 HB3 ASN A 14 -4.871 -1.222 -5.694 0.49 2.31 H new ATOM 0 HD21 ASN A 14 -2.655 1.738 -3.878 0.49 3.64 H new ATOM 0 HD22 ASN A 14 -1.882 0.562 -4.946 0.49 3.64 H new ATOM 15 N PRO A 15 -1.067 -2.687 -4.743 0.49 1.42 N ATOM 16 CA PRO A 15 0.331 -2.370 -4.467 0.49 1.34 C ATOM 17 C PRO A 15 0.641 -0.903 -4.817 0.49 1.27 C ATOM 18 O PRO A 15 -0.175 -0.213 -5.440 0.49 1.46 O ATOM 19 CB PRO A 15 1.125 -3.362 -5.321 0.49 1.35 C ATOM 20 CG PRO A 15 0.235 -3.581 -6.544 0.49 1.38 C ATOM 21 CD PRO A 15 -1.186 -3.395 -6.015 0.49 1.38 C ATOM 0 HA PRO A 15 0.588 -2.465 -3.412 0.49 1.34 H new ATOM 0 HB2 PRO A 15 2.098 -2.960 -5.601 0.49 1.35 H new ATOM 0 HB3 PRO A 15 1.307 -4.294 -4.786 0.49 1.35 H new ATOM 0 HG2 PRO A 15 0.462 -2.866 -7.334 0.49 1.38 H new ATOM 0 HG3 PRO A 15 0.376 -4.576 -6.965 0.49 1.38 H new ATOM 0 HD2 PRO A 15 -1.791 -2.825 -6.721 0.49 1.38 H new ATOM 0 HD3 PRO A 15 -1.678 -4.358 -5.878 0.49 1.38 H new ATOM 29 N CYS A 16 1.828 -0.419 -4.440 1.00 1.14 N ATOM 30 CA CYS A 16 2.260 0.962 -4.675 1.00 1.15 C ATOM 31 C CYS A 16 3.315 1.041 -5.799 1.00 1.10 C ATOM 32 O CYS A 16 4.521 0.960 -5.542 1.00 1.03 O ATOM 33 CB CYS A 16 2.732 1.546 -3.336 1.00 1.19 C ATOM 34 SG CYS A 16 1.399 2.239 -2.317 1.00 1.06 S ATOM 0 H CYS A 16 2.526 -0.984 -3.956 1.00 1.14 H new ATOM 0 HA CYS A 16 1.431 1.570 -5.037 1.00 1.15 H new ATOM 0 HB2 CYS A 16 3.239 0.764 -2.770 1.00 1.19 H new ATOM 0 HB3 CYS A 16 3.468 2.326 -3.532 1.00 1.19 H new ATOM 39 N LEU A 17 2.875 1.165 -7.059 1.00 1.24 N ATOM 40 CA LEU A 17 3.756 1.131 -8.240 1.00 1.28 C ATOM 41 C LEU A 17 4.637 2.383 -8.356 1.00 1.33 C ATOM 42 O LEU A 17 5.806 2.276 -8.731 1.00 1.27 O ATOM 43 CB LEU A 17 2.942 0.951 -9.542 1.00 1.49 C ATOM 44 CG LEU A 17 2.343 -0.438 -9.849 1.00 1.57 C ATOM 45 CD1 LEU A 17 3.338 -1.581 -9.643 1.00 2.11 C ATOM 46 CD2 LEU A 17 1.083 -0.739 -9.043 1.00 2.31 C ATOM 0 H LEU A 17 1.890 1.293 -7.291 1.00 1.24 H new ATOM 0 HA LEU A 17 4.411 0.271 -8.101 1.00 1.28 H new ATOM 0 HB2 LEU A 17 2.122 1.669 -9.522 1.00 1.49 H new ATOM 0 HB3 LEU A 17 3.587 1.226 -10.377 1.00 1.49 H new ATOM 0 HG LEU A 17 2.082 -0.383 -10.906 1.00 1.57 H new ATOM 0 HD11 LEU A 17 2.855 -2.530 -9.875 1.00 2.11 H new ATOM 0 HD12 LEU A 17 4.196 -1.440 -10.301 1.00 2.11 H new ATOM 0 HD13 LEU A 17 3.673 -1.589 -8.606 1.00 2.11 H new ATOM 0 HD21 LEU A 17 0.711 -1.730 -9.305 1.00 2.31 H new ATOM 0 HD22 LEU A 17 1.316 -0.709 -7.979 1.00 2.31 H new ATOM 0 HD23 LEU A 17 0.320 0.006 -9.269 1.00 2.31 H new ATOM 58 N SER A 18 4.118 3.553 -7.988 1.00 1.52 N ATOM 59 CA SER A 18 4.868 4.817 -8.018 1.00 1.67 C ATOM 60 C SER A 18 5.938 4.864 -6.923 1.00 1.44 C ATOM 61 O SER A 18 7.083 5.239 -7.180 1.00 1.38 O ATOM 62 CB SER A 18 3.906 5.981 -7.812 1.00 2.09 C ATOM 63 OG SER A 18 2.856 5.969 -8.771 1.00 2.39 O ATOM 0 H SER A 18 3.159 3.656 -7.658 1.00 1.52 H new ATOM 0 HA SER A 18 5.361 4.890 -8.987 1.00 1.67 H new ATOM 0 HB2 SER A 18 3.483 5.931 -6.808 1.00 2.09 H new ATOM 0 HB3 SER A 18 4.452 6.922 -7.882 1.00 2.09 H new ATOM 0 HG SER A 18 2.257 6.727 -8.609 1.00 2.39 H new ATOM 69 N GLU A 19 5.601 4.413 -5.711 1.00 1.39 N ATOM 70 CA GLU A 19 6.574 4.223 -4.626 1.00 1.28 C ATOM 71 C GLU A 19 7.571 3.091 -4.970 1.00 0.99 C ATOM 72 O GLU A 19 8.735 3.145 -4.571 1.00 0.91 O ATOM 73 CB GLU A 19 5.823 3.954 -3.302 1.00 1.49 C ATOM 74 CG GLU A 19 6.372 4.726 -2.091 1.00 1.57 C ATOM 75 CD GLU A 19 5.889 6.186 -2.039 1.00 1.96 C ATOM 76 OE1 GLU A 19 4.824 6.466 -1.433 1.00 2.60 O ATOM 77 OE2 GLU A 19 6.590 7.085 -2.557 1.00 2.68 O ATOM 0 H GLU A 19 4.645 4.168 -5.452 1.00 1.39 H new ATOM 0 HA GLU A 19 7.163 5.132 -4.504 1.00 1.28 H new ATOM 0 HB2 GLU A 19 4.772 4.212 -3.436 1.00 1.49 H new ATOM 0 HB3 GLU A 19 5.864 2.886 -3.086 1.00 1.49 H new ATOM 0 HG2 GLU A 19 6.071 4.217 -1.176 1.00 1.57 H new ATOM 0 HG3 GLU A 19 7.461 4.710 -2.121 1.00 1.57 H new ATOM 84 N SER A 20 7.156 2.107 -5.786 1.00 0.91 N ATOM 85 CA SER A 20 8.083 1.079 -6.321 1.00 0.77 C ATOM 86 C SER A 20 9.084 1.646 -7.341 1.00 0.78 C ATOM 87 O SER A 20 10.243 1.229 -7.358 1.00 0.78 O ATOM 88 CB SER A 20 7.360 -0.115 -6.962 1.00 0.85 C ATOM 89 OG SER A 20 6.514 -0.775 -6.042 1.00 1.74 O ATOM 0 H SER A 20 6.189 1.997 -6.092 1.00 0.91 H new ATOM 0 HA SER A 20 8.626 0.732 -5.442 1.00 0.77 H new ATOM 0 HB2 SER A 20 6.772 0.231 -7.812 1.00 0.85 H new ATOM 0 HB3 SER A 20 8.096 -0.820 -7.349 1.00 0.85 H new ATOM 0 HG SER A 20 5.659 -0.299 -5.984 1.00 1.74 H new ATOM 95 N ASP A 21 8.695 2.625 -8.166 1.00 0.89 N ATOM 96 CA ASP A 21 9.643 3.327 -9.046 1.00 0.96 C ATOM 97 C ASP A 21 10.631 4.174 -8.225 1.00 0.89 C ATOM 98 O ASP A 21 11.822 4.170 -8.513 1.00 0.94 O ATOM 99 CB ASP A 21 8.900 4.165 -10.101 1.00 1.22 C ATOM 100 CG ASP A 21 9.826 4.740 -11.186 1.00 1.68 C ATOM 101 OD1 ASP A 21 10.860 4.121 -11.523 1.00 3.02 O ATOM 102 OD2 ASP A 21 9.526 5.833 -11.728 1.00 1.88 O ATOM 0 H ASP A 21 7.732 2.951 -8.244 1.00 0.89 H new ATOM 0 HA ASP A 21 10.228 2.581 -9.584 1.00 0.96 H new ATOM 0 HB2 ASP A 21 8.138 3.547 -10.575 1.00 1.22 H new ATOM 0 HB3 ASP A 21 8.382 4.985 -9.604 1.00 1.22 H new ATOM 107 N ALA A 22 10.192 4.809 -7.133 1.00 0.86 N ATOM 108 CA ALA A 22 11.089 5.517 -6.212 1.00 0.88 C ATOM 109 C ALA A 22 12.123 4.577 -5.550 1.00 0.83 C ATOM 110 O ALA A 22 13.323 4.854 -5.589 1.00 0.93 O ATOM 111 CB ALA A 22 10.238 6.276 -5.196 1.00 0.95 C ATOM 0 H ALA A 22 9.209 4.847 -6.863 1.00 0.86 H new ATOM 0 HA ALA A 22 11.691 6.232 -6.773 1.00 0.88 H new ATOM 0 HB1 ALA A 22 10.888 6.809 -4.502 1.00 0.95 H new ATOM 0 HB2 ALA A 22 9.600 6.990 -5.717 1.00 0.95 H new ATOM 0 HB3 ALA A 22 9.617 5.571 -4.643 1.00 0.95 H new ATOM 117 N SER A 23 11.689 3.414 -5.044 1.00 0.73 N ATOM 118 CA SER A 23 12.585 2.310 -4.630 1.00 0.75 C ATOM 119 C SER A 23 13.589 1.917 -5.733 1.00 0.77 C ATOM 120 O SER A 23 14.800 1.850 -5.501 1.00 0.84 O ATOM 121 CB SER A 23 11.739 1.085 -4.251 1.00 0.82 C ATOM 122 OG SER A 23 12.507 0.111 -3.562 1.00 1.34 O ATOM 0 H SER A 23 10.700 3.205 -4.907 1.00 0.73 H new ATOM 0 HA SER A 23 13.162 2.661 -3.775 1.00 0.75 H new ATOM 0 HB2 SER A 23 10.903 1.399 -3.626 1.00 0.82 H new ATOM 0 HB3 SER A 23 11.314 0.643 -5.152 1.00 0.82 H new ATOM 0 HG SER A 23 11.938 -0.654 -3.335 1.00 1.34 H new ATOM 128 N THR A 24 13.092 1.731 -6.962 1.00 0.81 N ATOM 129 CA THR A 24 13.887 1.353 -8.144 1.00 1.00 C ATOM 130 C THR A 24 14.963 2.396 -8.468 1.00 1.12 C ATOM 131 O THR A 24 16.124 2.031 -8.671 1.00 1.26 O ATOM 132 CB THR A 24 12.968 1.154 -9.365 1.00 1.08 C ATOM 133 OG1 THR A 24 12.022 0.131 -9.103 1.00 1.07 O ATOM 134 CG2 THR A 24 13.730 0.712 -10.613 1.00 1.23 C ATOM 0 H THR A 24 12.100 1.841 -7.171 1.00 0.81 H new ATOM 0 HA THR A 24 14.391 0.415 -7.910 1.00 1.00 H new ATOM 0 HB THR A 24 12.498 2.122 -9.541 1.00 1.08 H new ATOM 0 HG1 THR A 24 11.296 0.490 -8.551 1.00 1.07 H new ATOM 0 HG21 THR A 24 13.032 0.588 -11.441 1.00 1.23 H new ATOM 0 HG22 THR A 24 14.471 1.468 -10.874 1.00 1.23 H new ATOM 0 HG23 THR A 24 14.232 -0.235 -10.416 1.00 1.23 H new ATOM 142 N ARG A 25 14.593 3.685 -8.449 1.00 1.13 N ATOM 143 CA ARG A 25 15.471 4.844 -8.674 1.00 1.26 C ATOM 144 C ARG A 25 16.534 4.965 -7.589 1.00 1.18 C ATOM 145 O ARG A 25 17.685 5.233 -7.922 1.00 1.28 O ATOM 146 CB ARG A 25 14.634 6.134 -8.699 1.00 1.36 C ATOM 147 CG ARG A 25 13.736 6.281 -9.937 1.00 1.68 C ATOM 148 CD ARG A 25 12.547 7.174 -9.573 1.00 2.05 C ATOM 149 NE ARG A 25 11.658 7.434 -10.715 1.00 2.68 N ATOM 150 CZ ARG A 25 11.233 8.596 -11.170 1.00 3.56 C ATOM 151 NH1 ARG A 25 11.693 9.746 -10.763 1.00 4.31 N ATOM 152 NH2 ARG A 25 10.289 8.588 -12.058 1.00 4.66 N ATOM 0 H ARG A 25 13.628 3.961 -8.268 1.00 1.13 H new ATOM 0 HA ARG A 25 15.971 4.697 -9.631 1.00 1.26 H new ATOM 0 HB2 ARG A 25 14.010 6.166 -7.806 1.00 1.36 H new ATOM 0 HB3 ARG A 25 15.306 6.990 -8.648 1.00 1.36 H new ATOM 0 HG2 ARG A 25 14.298 6.717 -10.763 1.00 1.68 H new ATOM 0 HG3 ARG A 25 13.387 5.303 -10.270 1.00 1.68 H new ATOM 0 HD2 ARG A 25 11.975 6.702 -8.774 1.00 2.05 H new ATOM 0 HD3 ARG A 25 12.917 8.122 -9.183 1.00 2.05 H new ATOM 0 HE ARG A 25 11.328 6.611 -11.219 1.00 2.68 H new ATOM 0 HH11 ARG A 25 12.424 9.780 -10.053 1.00 4.31 H new ATOM 0 HH12 ARG A 25 11.322 10.611 -11.155 1.00 4.31 H new ATOM 0 HH21 ARG A 25 9.901 7.702 -12.381 1.00 4.66 H new ATOM 0 HH22 ARG A 25 9.934 9.468 -12.433 1.00 4.66 H new ATOM 166 N CYS A 26 16.170 4.738 -6.324 1.00 1.01 N ATOM 167 CA CYS A 26 17.104 4.716 -5.197 1.00 0.97 C ATOM 168 C CYS A 26 18.182 3.642 -5.384 1.00 0.99 C ATOM 169 O CYS A 26 19.377 3.905 -5.257 1.00 1.10 O ATOM 170 CB CYS A 26 16.323 4.479 -3.894 1.00 0.89 C ATOM 171 SG CYS A 26 17.387 4.352 -2.434 1.00 1.07 S ATOM 0 H CYS A 26 15.203 4.562 -6.051 1.00 1.01 H new ATOM 0 HA CYS A 26 17.612 5.679 -5.146 1.00 0.97 H new ATOM 0 HB2 CYS A 26 15.615 5.295 -3.749 1.00 0.89 H new ATOM 0 HB3 CYS A 26 15.739 3.564 -3.990 1.00 0.89 H new ATOM 176 N LEU A 27 17.767 2.423 -5.719 1.00 0.96 N ATOM 177 CA LEU A 27 18.678 1.289 -5.905 1.00 1.07 C ATOM 178 C LEU A 27 19.619 1.472 -7.099 1.00 1.27 C ATOM 179 O LEU A 27 20.821 1.229 -6.981 1.00 1.45 O ATOM 180 CB LEU A 27 17.807 0.032 -6.001 1.00 1.10 C ATOM 181 CG LEU A 27 17.634 -0.633 -4.630 1.00 1.02 C ATOM 182 CD1 LEU A 27 17.402 0.285 -3.426 1.00 0.85 C ATOM 183 CD2 LEU A 27 16.464 -1.611 -4.667 1.00 1.12 C ATOM 0 H LEU A 27 16.786 2.190 -5.871 1.00 0.96 H new ATOM 0 HA LEU A 27 19.359 1.203 -5.058 1.00 1.07 H new ATOM 0 HB2 LEU A 27 16.830 0.294 -6.406 1.00 1.10 H new ATOM 0 HB3 LEU A 27 18.261 -0.675 -6.696 1.00 1.10 H new ATOM 0 HG LEU A 27 18.604 -1.105 -4.471 1.00 1.02 H new ATOM 0 HD11 LEU A 27 17.297 -0.318 -2.524 1.00 0.85 H new ATOM 0 HD12 LEU A 27 18.250 0.960 -3.315 1.00 0.85 H new ATOM 0 HD13 LEU A 27 16.493 0.867 -3.582 1.00 0.85 H new ATOM 0 HD21 LEU A 27 16.349 -2.078 -3.689 1.00 1.12 H new ATOM 0 HD22 LEU A 27 15.550 -1.075 -4.923 1.00 1.12 H new ATOM 0 HD23 LEU A 27 16.656 -2.379 -5.416 1.00 1.12 H new ATOM 195 N ASP A 28 19.079 1.994 -8.192 1.00 1.31 N ATOM 196 CA ASP A 28 19.835 2.457 -9.361 1.00 1.49 C ATOM 197 C ASP A 28 20.843 3.579 -9.025 1.00 1.50 C ATOM 198 O ASP A 28 21.946 3.589 -9.572 1.00 1.65 O ATOM 199 CB ASP A 28 18.838 2.926 -10.433 1.00 1.61 C ATOM 200 CG ASP A 28 19.537 3.573 -11.626 1.00 1.82 C ATOM 201 OD1 ASP A 28 20.183 2.839 -12.413 1.00 2.67 O ATOM 202 OD2 ASP A 28 19.441 4.815 -11.768 1.00 2.37 O ATOM 0 H ASP A 28 18.072 2.113 -8.299 1.00 1.31 H new ATOM 0 HA ASP A 28 20.431 1.623 -9.730 1.00 1.49 H new ATOM 0 HB2 ASP A 28 18.249 2.075 -10.776 1.00 1.61 H new ATOM 0 HB3 ASP A 28 18.141 3.639 -9.992 1.00 1.61 H new ATOM 207 N GLU A 29 20.488 4.503 -8.126 1.00 1.37 N ATOM 208 CA GLU A 29 21.350 5.596 -7.657 1.00 1.40 C ATOM 209 C GLU A 29 22.556 5.100 -6.853 1.00 1.37 C ATOM 210 O GLU A 29 23.691 5.494 -7.139 1.00 1.48 O ATOM 211 CB GLU A 29 20.519 6.565 -6.788 1.00 1.37 C ATOM 212 CG GLU A 29 20.260 7.907 -7.475 1.00 1.56 C ATOM 213 CD GLU A 29 21.469 8.837 -7.360 1.00 1.90 C ATOM 214 OE1 GLU A 29 21.717 9.358 -6.245 1.00 2.37 O ATOM 215 OE2 GLU A 29 22.156 9.073 -8.387 1.00 3.11 O ATOM 0 H GLU A 29 19.566 4.512 -7.691 1.00 1.37 H new ATOM 0 HA GLU A 29 21.738 6.102 -8.541 1.00 1.40 H new ATOM 0 HB2 GLU A 29 19.565 6.098 -6.543 1.00 1.37 H new ATOM 0 HB3 GLU A 29 21.040 6.739 -5.847 1.00 1.37 H new ATOM 0 HG2 GLU A 29 20.027 7.740 -8.527 1.00 1.56 H new ATOM 0 HG3 GLU A 29 19.388 8.384 -7.027 1.00 1.56 H new ATOM 222 N ASN A 30 22.326 4.253 -5.845 1.00 1.28 N ATOM 223 CA ASN A 30 23.326 3.839 -4.864 1.00 1.32 C ATOM 224 C ASN A 30 23.606 2.324 -4.909 1.00 1.33 C ATOM 225 O ASN A 30 23.182 1.598 -4.011 1.00 1.46 O ATOM 226 CB ASN A 30 22.923 4.377 -3.468 1.00 1.30 C ATOM 227 CG ASN A 30 21.471 4.180 -3.062 1.00 1.18 C ATOM 228 OD1 ASN A 30 20.773 5.104 -2.670 1.00 1.24 O ATOM 229 ND2 ASN A 30 20.960 2.976 -3.115 1.00 1.07 N ATOM 0 H ASN A 30 21.413 3.826 -5.687 1.00 1.28 H new ATOM 0 HA ASN A 30 24.289 4.283 -5.117 1.00 1.32 H new ATOM 0 HB2 ASN A 30 23.555 3.897 -2.721 1.00 1.30 H new ATOM 0 HB3 ASN A 30 23.145 5.444 -3.435 1.00 1.30 H new ATOM 0 HD21 ASN A 30 19.993 2.820 -2.832 1.00 1.07 H new ATOM 0 HD22 ASN A 30 21.529 2.194 -3.440 1.00 1.07 H new ATOM 236 N ASN A 31 24.307 1.835 -5.942 1.00 1.34 N ATOM 237 CA ASN A 31 24.908 0.485 -6.008 1.00 1.48 C ATOM 238 C ASN A 31 24.002 -0.666 -5.478 1.00 1.39 C ATOM 239 O ASN A 31 24.450 -1.535 -4.719 1.00 1.48 O ATOM 240 CB ASN A 31 26.305 0.526 -5.343 1.00 1.70 C ATOM 241 CG ASN A 31 27.374 1.305 -6.100 1.00 2.68 C ATOM 242 OD1 ASN A 31 27.318 1.519 -7.305 1.00 3.36 O ATOM 243 ND2 ASN A 31 28.415 1.705 -5.411 1.00 3.43 N ATOM 0 H ASN A 31 24.480 2.383 -6.785 1.00 1.34 H new ATOM 0 HA ASN A 31 25.018 0.226 -7.061 1.00 1.48 H new ATOM 0 HB2 ASN A 31 26.201 0.960 -4.348 1.00 1.70 H new ATOM 0 HB3 ASN A 31 26.654 -0.498 -5.209 1.00 1.70 H new ATOM 0 HD21 ASN A 31 29.178 2.194 -5.878 1.00 3.43 H new ATOM 0 HD22 ASN A 31 28.462 1.527 -4.408 1.00 3.43 H new ATOM 250 N TYR A 32 22.713 -0.646 -5.840 1.00 1.30 N ATOM 251 CA TYR A 32 21.674 -1.596 -5.413 1.00 1.24 C ATOM 252 C TYR A 32 21.563 -1.797 -3.882 1.00 1.14 C ATOM 253 O TYR A 32 21.417 -2.917 -3.391 1.00 1.29 O ATOM 254 CB TYR A 32 21.754 -2.896 -6.243 1.00 1.48 C ATOM 255 CG TYR A 32 20.418 -3.353 -6.813 1.00 1.53 C ATOM 256 CD1 TYR A 32 19.318 -3.613 -5.969 1.00 2.47 C ATOM 257 CD2 TYR A 32 20.271 -3.498 -8.207 1.00 2.23 C ATOM 258 CE1 TYR A 32 18.083 -4.013 -6.517 1.00 2.60 C ATOM 259 CE2 TYR A 32 19.035 -3.887 -8.755 1.00 2.57 C ATOM 260 CZ TYR A 32 17.931 -4.128 -7.914 1.00 2.16 C ATOM 261 OH TYR A 32 16.724 -4.440 -8.461 1.00 2.62 O ATOM 0 H TYR A 32 22.347 0.068 -6.470 1.00 1.30 H new ATOM 0 HA TYR A 32 20.711 -1.139 -5.639 1.00 1.24 H new ATOM 0 HB2 TYR A 32 22.455 -2.748 -7.064 1.00 1.48 H new ATOM 0 HB3 TYR A 32 22.160 -3.690 -5.616 1.00 1.48 H new ATOM 0 HD1 TYR A 32 19.423 -3.505 -4.900 1.00 2.47 H new ATOM 0 HD2 TYR A 32 21.112 -3.309 -8.858 1.00 2.23 H new ATOM 0 HE1 TYR A 32 17.250 -4.232 -5.865 1.00 2.60 H new ATOM 0 HE2 TYR A 32 18.932 -4.001 -9.824 1.00 2.57 H new ATOM 0 HH TYR A 32 16.806 -4.475 -9.437 1.00 2.62 H new ATOM 271 N ASP A 33 21.640 -0.716 -3.097 1.00 1.02 N ATOM 272 CA ASP A 33 21.612 -0.725 -1.622 1.00 1.03 C ATOM 273 C ASP A 33 20.190 -0.922 -1.043 1.00 0.91 C ATOM 274 O ASP A 33 19.613 -0.079 -0.347 1.00 0.86 O ATOM 275 CB ASP A 33 22.361 0.492 -1.049 1.00 1.12 C ATOM 276 CG ASP A 33 22.933 0.257 0.351 1.00 1.32 C ATOM 277 OD1 ASP A 33 22.541 -0.718 1.038 1.00 2.10 O ATOM 278 OD2 ASP A 33 23.839 1.035 0.739 1.00 2.40 O ATOM 0 H ASP A 33 21.727 0.225 -3.481 1.00 1.02 H new ATOM 0 HA ASP A 33 22.157 -1.608 -1.288 1.00 1.03 H new ATOM 0 HB2 ASP A 33 23.174 0.758 -1.724 1.00 1.12 H new ATOM 0 HB3 ASP A 33 21.682 1.344 -1.016 1.00 1.12 H new ATOM 283 N ARG A 34 19.626 -2.084 -1.382 1.00 0.94 N ATOM 284 CA ARG A 34 18.302 -2.606 -0.996 1.00 0.87 C ATOM 285 C ARG A 34 18.029 -2.625 0.507 1.00 0.92 C ATOM 286 O ARG A 34 16.871 -2.586 0.916 1.00 0.93 O ATOM 287 CB ARG A 34 18.140 -4.006 -1.611 1.00 1.17 C ATOM 288 CG ARG A 34 18.841 -5.124 -0.819 1.00 1.95 C ATOM 289 CD ARG A 34 18.958 -6.419 -1.623 1.00 2.39 C ATOM 290 NE ARG A 34 20.014 -6.310 -2.644 1.00 3.28 N ATOM 291 CZ ARG A 34 19.897 -6.465 -3.947 1.00 4.19 C ATOM 292 NH1 ARG A 34 18.763 -6.621 -4.562 1.00 4.37 N ATOM 293 NH2 ARG A 34 20.958 -6.442 -4.689 1.00 5.74 N ATOM 0 H ARG A 34 20.121 -2.743 -1.984 1.00 0.94 H new ATOM 0 HA ARG A 34 17.556 -1.915 -1.388 1.00 0.87 H new ATOM 0 HB2 ARG A 34 17.078 -4.238 -1.684 1.00 1.17 H new ATOM 0 HB3 ARG A 34 18.534 -3.993 -2.627 1.00 1.17 H new ATOM 0 HG2 ARG A 34 19.836 -4.790 -0.526 1.00 1.95 H new ATOM 0 HG3 ARG A 34 18.287 -5.318 0.099 1.00 1.95 H new ATOM 0 HD2 ARG A 34 19.179 -7.249 -0.952 1.00 2.39 H new ATOM 0 HD3 ARG A 34 18.005 -6.642 -2.102 1.00 2.39 H new ATOM 0 HE ARG A 34 20.948 -6.088 -2.301 1.00 3.28 H new ATOM 0 HH11 ARG A 34 17.892 -6.628 -4.031 1.00 4.37 H new ATOM 0 HH12 ARG A 34 18.744 -6.736 -5.575 1.00 4.37 H new ATOM 0 HH21 ARG A 34 21.875 -6.305 -4.264 1.00 5.74 H new ATOM 0 HH22 ARG A 34 20.877 -6.561 -5.699 1.00 5.74 H new ATOM 307 N GLU A 35 19.071 -2.672 1.331 1.00 1.08 N ATOM 308 CA GLU A 35 18.971 -2.604 2.795 1.00 1.23 C ATOM 309 C GLU A 35 18.718 -1.157 3.248 1.00 1.22 C ATOM 310 O GLU A 35 17.722 -0.885 3.924 1.00 1.35 O ATOM 311 CB GLU A 35 20.224 -3.208 3.452 1.00 1.48 C ATOM 312 CG GLU A 35 20.351 -4.714 3.168 1.00 1.56 C ATOM 313 CD GLU A 35 21.568 -5.332 3.866 1.00 2.02 C ATOM 314 OE1 GLU A 35 22.708 -5.210 3.353 1.00 2.63 O ATOM 315 OE2 GLU A 35 21.398 -5.952 4.944 1.00 2.77 O ATOM 0 H GLU A 35 20.031 -2.760 0.998 1.00 1.08 H new ATOM 0 HA GLU A 35 18.119 -3.200 3.121 1.00 1.23 H new ATOM 0 HB2 GLU A 35 21.111 -2.693 3.083 1.00 1.48 H new ATOM 0 HB3 GLU A 35 20.184 -3.044 4.529 1.00 1.48 H new ATOM 0 HG2 GLU A 35 19.446 -5.223 3.500 1.00 1.56 H new ATOM 0 HG3 GLU A 35 20.430 -4.874 2.093 1.00 1.56 H new ATOM 322 N ARG A 36 19.529 -0.198 2.779 1.00 1.19 N ATOM 323 CA ARG A 36 19.357 1.238 3.077 1.00 1.20 C ATOM 324 C ARG A 36 18.087 1.842 2.468 1.00 1.03 C ATOM 325 O ARG A 36 17.539 2.788 3.030 1.00 1.24 O ATOM 326 CB ARG A 36 20.604 2.018 2.626 1.00 1.30 C ATOM 327 CG ARG A 36 21.903 1.621 3.355 1.00 1.55 C ATOM 328 CD ARG A 36 21.894 1.838 4.871 1.00 2.55 C ATOM 329 NE ARG A 36 21.679 3.256 5.202 1.00 3.24 N ATOM 330 CZ ARG A 36 20.664 3.800 5.843 1.00 5.16 C ATOM 331 NH1 ARG A 36 19.742 3.103 6.434 1.00 6.50 N ATOM 332 NH2 ARG A 36 20.572 5.093 5.867 1.00 6.32 N ATOM 0 H ARG A 36 20.329 -0.394 2.178 1.00 1.19 H new ATOM 0 HA ARG A 36 19.238 1.324 4.157 1.00 1.20 H new ATOM 0 HB2 ARG A 36 20.743 1.869 1.555 1.00 1.30 H new ATOM 0 HB3 ARG A 36 20.427 3.082 2.779 1.00 1.30 H new ATOM 0 HG2 ARG A 36 22.105 0.568 3.156 1.00 1.55 H new ATOM 0 HG3 ARG A 36 22.729 2.190 2.928 1.00 1.55 H new ATOM 0 HD2 ARG A 36 21.109 1.233 5.323 1.00 2.55 H new ATOM 0 HD3 ARG A 36 22.840 1.502 5.295 1.00 2.55 H new ATOM 0 HE ARG A 36 22.409 3.900 4.896 1.00 3.24 H new ATOM 0 HH11 ARG A 36 19.783 2.084 6.416 1.00 6.50 H new ATOM 0 HH12 ARG A 36 18.977 3.574 6.917 1.00 6.50 H new ATOM 0 HH21 ARG A 36 21.275 5.663 5.397 1.00 6.32 H new ATOM 0 HH22 ARG A 36 19.796 5.540 6.356 1.00 6.32 H new ATOM 346 N CYS A 37 17.578 1.272 1.370 1.00 0.80 N ATOM 347 CA CYS A 37 16.258 1.592 0.805 1.00 0.65 C ATOM 348 C CYS A 37 15.167 0.532 1.093 1.00 0.60 C ATOM 349 O CYS A 37 14.151 0.475 0.396 1.00 0.53 O ATOM 350 CB CYS A 37 16.393 2.029 -0.667 1.00 0.56 C ATOM 351 SG CYS A 37 16.174 3.821 -0.883 1.00 1.05 S ATOM 0 H CYS A 37 18.080 0.561 0.837 1.00 0.80 H new ATOM 0 HA CYS A 37 15.867 2.456 1.342 1.00 0.65 H new ATOM 0 HB2 CYS A 37 17.375 1.738 -1.040 1.00 0.56 H new ATOM 0 HB3 CYS A 37 15.654 1.501 -1.269 1.00 0.56 H new ATOM 356 N SER A 38 15.315 -0.277 2.155 1.00 0.74 N ATOM 357 CA SER A 38 14.220 -1.130 2.666 1.00 0.80 C ATOM 358 C SER A 38 13.058 -0.321 3.267 1.00 0.83 C ATOM 359 O SER A 38 11.967 -0.859 3.413 1.00 0.90 O ATOM 360 CB SER A 38 14.722 -2.152 3.695 1.00 0.95 C ATOM 361 OG SER A 38 15.435 -3.198 3.062 1.00 1.99 O ATOM 0 H SER A 38 16.185 -0.361 2.681 1.00 0.74 H new ATOM 0 HA SER A 38 13.840 -1.662 1.794 1.00 0.80 H new ATOM 0 HB2 SER A 38 15.365 -1.656 4.422 1.00 0.95 H new ATOM 0 HB3 SER A 38 13.877 -2.564 4.246 1.00 0.95 H new ATOM 0 HG SER A 38 15.719 -2.907 2.170 1.00 1.99 H new ATOM 367 N THR A 39 13.240 0.978 3.536 1.00 0.84 N ATOM 368 CA THR A 39 12.172 1.931 3.904 1.00 0.91 C ATOM 369 C THR A 39 11.010 1.921 2.910 1.00 0.77 C ATOM 370 O THR A 39 9.847 1.794 3.287 1.00 0.76 O ATOM 371 CB THR A 39 12.744 3.356 3.983 1.00 1.09 C ATOM 372 OG1 THR A 39 13.464 3.655 2.806 1.00 2.15 O ATOM 373 CG2 THR A 39 13.742 3.503 5.125 1.00 1.63 C ATOM 0 H THR A 39 14.162 1.414 3.504 1.00 0.84 H new ATOM 0 HA THR A 39 11.789 1.616 4.874 1.00 0.91 H new ATOM 0 HB THR A 39 11.892 4.020 4.129 1.00 1.09 H new ATOM 0 HG1 THR A 39 13.823 4.565 2.864 1.00 2.15 H new ATOM 0 HG21 THR A 39 14.123 4.524 5.146 1.00 1.63 H new ATOM 0 HG22 THR A 39 13.248 3.280 6.071 1.00 1.63 H new ATOM 0 HG23 THR A 39 14.570 2.810 4.976 1.00 1.63 H new ATOM 381 N TYR A 40 11.336 1.956 1.619 1.00 0.70 N ATOM 382 CA TYR A 40 10.366 1.863 0.526 1.00 0.61 C ATOM 383 C TYR A 40 9.704 0.493 0.455 1.00 0.54 C ATOM 384 O TYR A 40 8.488 0.396 0.306 1.00 0.58 O ATOM 385 CB TYR A 40 11.065 2.152 -0.800 1.00 0.56 C ATOM 386 CG TYR A 40 11.307 3.622 -1.000 1.00 0.84 C ATOM 387 CD1 TYR A 40 12.341 4.275 -0.309 1.00 1.69 C ATOM 388 CD2 TYR A 40 10.414 4.349 -1.799 1.00 2.49 C ATOM 389 CE1 TYR A 40 12.489 5.675 -0.425 1.00 1.76 C ATOM 390 CE2 TYR A 40 10.553 5.738 -1.915 1.00 2.91 C ATOM 391 CZ TYR A 40 11.591 6.410 -1.239 1.00 1.80 C ATOM 392 OH TYR A 40 11.672 7.760 -1.360 1.00 2.36 O ATOM 0 H TYR A 40 12.299 2.051 1.296 1.00 0.70 H new ATOM 0 HA TYR A 40 9.585 2.599 0.718 1.00 0.61 H new ATOM 0 HB2 TYR A 40 12.016 1.620 -0.832 1.00 0.56 H new ATOM 0 HB3 TYR A 40 10.458 1.769 -1.621 1.00 0.56 H new ATOM 0 HD1 TYR A 40 13.021 3.708 0.309 1.00 1.69 H new ATOM 0 HD2 TYR A 40 9.620 3.839 -2.324 1.00 2.49 H new ATOM 0 HE1 TYR A 40 13.282 6.183 0.104 1.00 1.76 H new ATOM 0 HE2 TYR A 40 9.860 6.297 -2.526 1.00 2.91 H new ATOM 0 HH TYR A 40 10.968 8.077 -1.964 1.00 2.36 H new ATOM 402 N PHE A 41 10.501 -0.562 0.605 1.00 0.54 N ATOM 403 CA PHE A 41 9.992 -1.939 0.605 1.00 0.58 C ATOM 404 C PHE A 41 8.978 -2.164 1.742 1.00 0.60 C ATOM 405 O PHE A 41 7.906 -2.728 1.522 1.00 0.65 O ATOM 406 CB PHE A 41 11.179 -2.912 0.679 1.00 0.77 C ATOM 407 CG PHE A 41 10.882 -4.391 0.480 1.00 1.63 C ATOM 408 CD1 PHE A 41 9.759 -4.843 -0.249 1.00 2.76 C ATOM 409 CD2 PHE A 41 11.803 -5.334 0.977 1.00 2.83 C ATOM 410 CE1 PHE A 41 9.568 -6.217 -0.479 1.00 3.92 C ATOM 411 CE2 PHE A 41 11.609 -6.707 0.751 1.00 3.89 C ATOM 412 CZ PHE A 41 10.495 -7.148 0.016 1.00 4.19 C ATOM 0 H PHE A 41 11.511 -0.492 0.729 1.00 0.54 H new ATOM 0 HA PHE A 41 9.449 -2.126 -0.322 1.00 0.58 H new ATOM 0 HB2 PHE A 41 11.910 -2.611 -0.072 1.00 0.77 H new ATOM 0 HB3 PHE A 41 11.654 -2.791 1.653 1.00 0.77 H new ATOM 0 HD1 PHE A 41 9.044 -4.130 -0.631 1.00 2.76 H new ATOM 0 HD2 PHE A 41 12.664 -4.999 1.536 1.00 2.83 H new ATOM 0 HE1 PHE A 41 8.708 -6.556 -1.037 1.00 3.92 H new ATOM 0 HE2 PHE A 41 12.316 -7.424 1.142 1.00 3.89 H new ATOM 0 HZ PHE A 41 10.352 -8.203 -0.168 1.00 4.19 H new ATOM 422 N LEU A 42 9.264 -1.611 2.926 1.00 0.66 N ATOM 423 CA LEU A 42 8.367 -1.563 4.077 1.00 0.75 C ATOM 424 C LEU A 42 7.095 -0.764 3.798 1.00 0.75 C ATOM 425 O LEU A 42 6.001 -1.264 4.037 1.00 0.80 O ATOM 426 CB LEU A 42 9.165 -1.015 5.280 1.00 0.85 C ATOM 427 CG LEU A 42 8.345 -0.465 6.462 1.00 0.95 C ATOM 428 CD1 LEU A 42 7.471 -1.526 7.125 1.00 1.02 C ATOM 429 CD2 LEU A 42 9.314 0.095 7.501 1.00 1.06 C ATOM 0 H LEU A 42 10.164 -1.168 3.112 1.00 0.66 H new ATOM 0 HA LEU A 42 8.012 -2.568 4.305 1.00 0.75 H new ATOM 0 HB2 LEU A 42 9.808 -1.812 5.654 1.00 0.85 H new ATOM 0 HB3 LEU A 42 9.819 -0.220 4.921 1.00 0.85 H new ATOM 0 HG LEU A 42 7.678 0.304 6.072 1.00 0.95 H new ATOM 0 HD11 LEU A 42 6.918 -1.078 7.950 1.00 1.02 H new ATOM 0 HD12 LEU A 42 6.770 -1.928 6.394 1.00 1.02 H new ATOM 0 HD13 LEU A 42 8.101 -2.331 7.505 1.00 1.02 H new ATOM 0 HD21 LEU A 42 8.752 0.490 8.347 1.00 1.06 H new ATOM 0 HD22 LEU A 42 9.977 -0.699 7.845 1.00 1.06 H new ATOM 0 HD23 LEU A 42 9.905 0.894 7.054 1.00 1.06 H new ATOM 441 N ARG A 43 7.189 0.439 3.234 1.00 0.73 N ATOM 442 CA ARG A 43 5.987 1.227 2.910 1.00 0.78 C ATOM 443 C ARG A 43 5.163 0.630 1.770 1.00 0.78 C ATOM 444 O ARG A 43 3.950 0.823 1.712 1.00 0.89 O ATOM 445 CB ARG A 43 6.377 2.679 2.661 1.00 0.82 C ATOM 446 CG ARG A 43 6.856 3.309 3.979 1.00 1.03 C ATOM 447 CD ARG A 43 7.243 4.783 3.824 1.00 1.24 C ATOM 448 NE ARG A 43 6.142 5.535 3.198 1.00 2.29 N ATOM 449 CZ ARG A 43 6.081 5.984 1.962 1.00 3.24 C ATOM 450 NH1 ARG A 43 7.120 6.069 1.186 1.00 3.48 N ATOM 451 NH2 ARG A 43 4.928 6.312 1.471 1.00 4.66 N ATOM 0 H ARG A 43 8.071 0.891 2.992 1.00 0.73 H new ATOM 0 HA ARG A 43 5.321 1.193 3.772 1.00 0.78 H new ATOM 0 HB2 ARG A 43 7.166 2.732 1.911 1.00 0.82 H new ATOM 0 HB3 ARG A 43 5.525 3.234 2.267 1.00 0.82 H new ATOM 0 HG2 ARG A 43 6.067 3.221 4.726 1.00 1.03 H new ATOM 0 HG3 ARG A 43 7.714 2.750 4.353 1.00 1.03 H new ATOM 0 HD2 ARG A 43 7.476 5.210 4.800 1.00 1.24 H new ATOM 0 HD3 ARG A 43 8.143 4.868 3.215 1.00 1.24 H new ATOM 0 HE ARG A 43 5.335 5.730 3.790 1.00 2.29 H new ATOM 0 HH11 ARG A 43 8.037 5.780 1.528 1.00 3.48 H new ATOM 0 HH12 ARG A 43 7.019 6.424 0.235 1.00 3.48 H new ATOM 0 HH21 ARG A 43 4.087 6.221 2.040 1.00 4.66 H new ATOM 0 HH22 ARG A 43 4.862 6.662 0.515 1.00 4.66 H new ATOM 465 N TYR A 44 5.790 -0.191 0.936 1.00 0.71 N ATOM 466 CA TYR A 44 5.106 -0.994 -0.086 1.00 0.73 C ATOM 467 C TYR A 44 4.367 -2.181 0.555 1.00 0.77 C ATOM 468 O TYR A 44 3.191 -2.401 0.255 1.00 0.85 O ATOM 469 CB TYR A 44 6.105 -1.395 -1.184 1.00 0.70 C ATOM 470 CG TYR A 44 5.632 -2.482 -2.128 1.00 0.76 C ATOM 471 CD1 TYR A 44 5.743 -3.834 -1.746 1.00 1.96 C ATOM 472 CD2 TYR A 44 5.122 -2.150 -3.400 1.00 1.78 C ATOM 473 CE1 TYR A 44 5.309 -4.850 -2.615 1.00 2.15 C ATOM 474 CE2 TYR A 44 4.709 -3.169 -4.281 1.00 1.77 C ATOM 475 CZ TYR A 44 4.790 -4.522 -3.884 1.00 1.13 C ATOM 476 OH TYR A 44 4.397 -5.519 -4.716 1.00 1.39 O ATOM 0 H TYR A 44 6.801 -0.324 0.946 1.00 0.71 H new ATOM 0 HA TYR A 44 4.331 -0.401 -0.572 1.00 0.73 H new ATOM 0 HB2 TYR A 44 6.349 -0.509 -1.770 1.00 0.70 H new ATOM 0 HB3 TYR A 44 7.028 -1.727 -0.708 1.00 0.70 H new ATOM 0 HD1 TYR A 44 6.162 -4.090 -0.784 1.00 1.96 H new ATOM 0 HD2 TYR A 44 5.048 -1.115 -3.699 1.00 1.78 H new ATOM 0 HE1 TYR A 44 5.373 -5.884 -2.310 1.00 2.15 H new ATOM 0 HE2 TYR A 44 4.330 -2.915 -5.260 1.00 1.77 H new ATOM 0 HH TYR A 44 4.061 -5.134 -5.552 1.00 1.39 H new ATOM 486 N LYS A 45 4.997 -2.870 1.519 1.00 0.76 N ATOM 487 CA LYS A 45 4.344 -3.848 2.406 1.00 0.82 C ATOM 488 C LYS A 45 3.158 -3.215 3.144 1.00 0.90 C ATOM 489 O LYS A 45 2.063 -3.762 3.065 1.00 1.05 O ATOM 490 CB LYS A 45 5.408 -4.467 3.339 1.00 0.91 C ATOM 491 CG LYS A 45 4.847 -5.158 4.591 1.00 2.05 C ATOM 492 CD LYS A 45 5.980 -5.681 5.483 1.00 2.31 C ATOM 493 CE LYS A 45 5.393 -6.181 6.804 1.00 4.15 C ATOM 494 NZ LYS A 45 6.444 -6.683 7.710 1.00 4.62 N ATOM 0 H LYS A 45 5.993 -2.762 1.708 1.00 0.76 H new ATOM 0 HA LYS A 45 3.912 -4.662 1.824 1.00 0.82 H new ATOM 0 HB2 LYS A 45 5.990 -5.193 2.771 1.00 0.91 H new ATOM 0 HB3 LYS A 45 6.096 -3.682 3.653 1.00 0.91 H new ATOM 0 HG2 LYS A 45 4.231 -4.456 5.153 1.00 2.05 H new ATOM 0 HG3 LYS A 45 4.200 -5.984 4.296 1.00 2.05 H new ATOM 0 HD2 LYS A 45 6.512 -6.488 4.979 1.00 2.31 H new ATOM 0 HD3 LYS A 45 6.706 -4.890 5.671 1.00 2.31 H new ATOM 0 HE2 LYS A 45 4.849 -5.372 7.290 1.00 4.15 H new ATOM 0 HE3 LYS A 45 4.673 -6.975 6.606 1.00 4.15 H new ATOM 0 HZ1 LYS A 45 6.010 -7.014 8.595 1.00 4.62 H new ATOM 0 HZ2 LYS A 45 6.947 -7.472 7.255 1.00 4.62 H new ATOM 0 HZ3 LYS A 45 7.117 -5.918 7.919 1.00 4.62 H new ATOM 508 N ASN A 46 3.324 -2.045 3.771 1.00 0.87 N ATOM 509 CA ASN A 46 2.251 -1.300 4.447 1.00 0.94 C ATOM 510 C ASN A 46 1.089 -0.976 3.494 1.00 0.98 C ATOM 511 O ASN A 46 -0.073 -1.119 3.874 1.00 1.06 O ATOM 512 CB ASN A 46 2.789 0.036 5.002 1.00 0.97 C ATOM 513 CG ASN A 46 3.866 -0.045 6.067 1.00 0.99 C ATOM 514 OD1 ASN A 46 4.039 -1.042 6.753 1.00 1.04 O ATOM 515 ND2 ASN A 46 4.587 1.038 6.255 1.00 1.02 N ATOM 0 H ASN A 46 4.229 -1.577 3.825 1.00 0.87 H new ATOM 0 HA ASN A 46 1.890 -1.938 5.253 1.00 0.94 H new ATOM 0 HB2 ASN A 46 3.181 0.616 4.167 1.00 0.97 H new ATOM 0 HB3 ASN A 46 1.948 0.596 5.412 1.00 0.97 H new ATOM 0 HD21 ASN A 46 5.303 1.054 6.981 1.00 1.02 H new ATOM 0 HD22 ASN A 46 4.431 1.862 5.674 1.00 1.02 H new ATOM 522 N CYS A 47 1.408 -0.562 2.263 1.00 0.97 N ATOM 523 CA CYS A 47 0.452 -0.229 1.209 1.00 1.05 C ATOM 524 C CYS A 47 -0.447 -1.416 0.853 1.00 1.13 C ATOM 525 O CYS A 47 -1.666 -1.334 1.032 1.00 1.29 O ATOM 526 CB CYS A 47 1.241 0.342 0.019 1.00 1.11 C ATOM 527 SG CYS A 47 0.337 0.690 -1.511 1.00 1.92 S ATOM 0 H CYS A 47 2.377 -0.446 1.965 1.00 0.97 H new ATOM 0 HA CYS A 47 -0.247 0.533 1.553 1.00 1.05 H new ATOM 0 HB2 CYS A 47 1.714 1.268 0.345 1.00 1.11 H new ATOM 0 HB3 CYS A 47 2.042 -0.359 -0.218 1.00 1.11 H new ATOM 532 N ARG A 48 0.134 -2.559 0.463 1.00 1.13 N ATOM 533 CA ARG A 48 -0.671 -3.759 0.178 1.00 1.26 C ATOM 534 C ARG A 48 -1.311 -4.366 1.427 1.00 1.15 C ATOM 535 O ARG A 48 -2.467 -4.766 1.355 1.00 1.10 O ATOM 536 CB ARG A 48 0.062 -4.728 -0.753 1.00 1.72 C ATOM 537 CG ARG A 48 1.355 -5.369 -0.242 1.00 1.11 C ATOM 538 CD ARG A 48 1.106 -6.557 0.688 1.00 2.64 C ATOM 539 NE ARG A 48 2.351 -7.326 0.824 1.00 3.35 N ATOM 540 CZ ARG A 48 2.954 -7.719 1.925 1.00 5.23 C ATOM 541 NH1 ARG A 48 2.374 -7.769 3.088 1.00 6.84 N ATOM 542 NH2 ARG A 48 4.197 -8.061 1.826 1.00 5.82 N ATOM 0 H ARG A 48 1.139 -2.680 0.339 1.00 1.13 H new ATOM 0 HA ARG A 48 -1.542 -3.450 -0.399 1.00 1.26 H new ATOM 0 HB2 ARG A 48 -0.629 -5.530 -1.013 1.00 1.72 H new ATOM 0 HB3 ARG A 48 0.294 -4.195 -1.675 1.00 1.72 H new ATOM 0 HG2 ARG A 48 1.951 -5.699 -1.093 1.00 1.11 H new ATOM 0 HG3 ARG A 48 1.942 -4.618 0.286 1.00 1.11 H new ATOM 0 HD2 ARG A 48 0.771 -6.207 1.664 1.00 2.64 H new ATOM 0 HD3 ARG A 48 0.314 -7.190 0.287 1.00 2.64 H new ATOM 0 HE ARG A 48 2.807 -7.589 -0.050 1.00 3.35 H new ATOM 0 HH11 ARG A 48 1.396 -7.494 3.183 1.00 6.84 H new ATOM 0 HH12 ARG A 48 2.897 -8.083 3.906 1.00 6.84 H new ATOM 0 HH21 ARG A 48 4.667 -8.019 0.922 1.00 5.82 H new ATOM 0 HH22 ARG A 48 4.708 -8.373 2.652 1.00 5.82 H new ATOM 556 N ARG A 49 -0.651 -4.333 2.594 1.00 1.14 N ATOM 557 CA ARG A 49 -1.212 -4.814 3.874 1.00 1.11 C ATOM 558 C ARG A 49 -2.445 -4.016 4.301 1.00 1.00 C ATOM 559 O ARG A 49 -3.374 -4.610 4.847 1.00 0.89 O ATOM 560 CB ARG A 49 -0.129 -4.821 4.971 1.00 1.14 C ATOM 561 CG ARG A 49 -0.671 -5.330 6.319 1.00 1.16 C ATOM 562 CD ARG A 49 0.418 -5.408 7.392 1.00 1.30 C ATOM 563 NE ARG A 49 -0.180 -5.507 8.735 1.00 1.99 N ATOM 564 CZ ARG A 49 -0.494 -6.598 9.409 1.00 3.43 C ATOM 565 NH1 ARG A 49 -0.315 -7.808 8.969 1.00 4.24 N ATOM 566 NH2 ARG A 49 -1.023 -6.510 10.588 1.00 4.87 N ATOM 0 H ARG A 49 0.298 -3.969 2.681 1.00 1.14 H new ATOM 0 HA ARG A 49 -1.548 -5.840 3.722 1.00 1.11 H new ATOM 0 HB2 ARG A 49 0.703 -5.451 4.654 1.00 1.14 H new ATOM 0 HB3 ARG A 49 0.265 -3.812 5.097 1.00 1.14 H new ATOM 0 HG2 ARG A 49 -1.468 -4.669 6.661 1.00 1.16 H new ATOM 0 HG3 ARG A 49 -1.113 -6.317 6.181 1.00 1.16 H new ATOM 0 HD2 ARG A 49 1.056 -6.273 7.208 1.00 1.30 H new ATOM 0 HD3 ARG A 49 1.054 -4.525 7.336 1.00 1.30 H new ATOM 0 HE ARG A 49 -0.376 -4.622 9.203 1.00 1.99 H new ATOM 0 HH11 ARG A 49 0.093 -7.960 8.046 1.00 4.24 H new ATOM 0 HH12 ARG A 49 -0.582 -8.605 9.546 1.00 4.24 H new ATOM 0 HH21 ARG A 49 -1.199 -5.594 11.001 1.00 4.87 H new ATOM 0 HH22 ARG A 49 -1.263 -7.357 11.104 1.00 4.87 H new ATOM 580 N PHE A 50 -2.498 -2.712 4.020 1.00 1.03 N ATOM 581 CA PHE A 50 -3.659 -1.882 4.357 1.00 0.92 C ATOM 582 C PHE A 50 -4.883 -2.349 3.580 1.00 0.86 C ATOM 583 O PHE A 50 -5.892 -2.752 4.153 1.00 0.79 O ATOM 584 CB PHE A 50 -3.390 -0.404 4.042 1.00 0.91 C ATOM 585 CG PHE A 50 -4.566 0.486 4.400 1.00 0.79 C ATOM 586 CD1 PHE A 50 -4.838 0.796 5.747 1.00 1.44 C ATOM 587 CD2 PHE A 50 -5.424 0.960 3.390 1.00 2.15 C ATOM 588 CE1 PHE A 50 -5.957 1.582 6.077 1.00 1.45 C ATOM 589 CE2 PHE A 50 -6.545 1.741 3.719 1.00 2.09 C ATOM 590 CZ PHE A 50 -6.813 2.051 5.064 1.00 0.64 C ATOM 0 H PHE A 50 -1.745 -2.204 3.556 1.00 1.03 H new ATOM 0 HA PHE A 50 -3.844 -1.984 5.426 1.00 0.92 H new ATOM 0 HB2 PHE A 50 -2.507 -0.073 4.589 1.00 0.91 H new ATOM 0 HB3 PHE A 50 -3.166 -0.296 2.981 1.00 0.91 H new ATOM 0 HD1 PHE A 50 -4.187 0.430 6.527 1.00 1.44 H new ATOM 0 HD2 PHE A 50 -5.220 0.722 2.356 1.00 2.15 H new ATOM 0 HE1 PHE A 50 -6.159 1.826 7.110 1.00 1.45 H new ATOM 0 HE2 PHE A 50 -7.200 2.103 2.940 1.00 2.09 H new ATOM 0 HZ PHE A 50 -7.675 2.649 5.319 1.00 0.64 H new ATOM 600 N TRP A 51 -4.759 -2.361 2.257 1.00 0.91 N ATOM 601 CA TRP A 51 -5.858 -2.740 1.375 1.00 0.88 C ATOM 602 C TRP A 51 -6.225 -4.235 1.498 1.00 0.88 C ATOM 603 O TRP A 51 -7.411 -4.558 1.524 1.00 0.79 O ATOM 604 CB TRP A 51 -5.532 -2.250 -0.040 1.00 0.92 C ATOM 605 CG TRP A 51 -5.502 -0.745 -0.170 1.00 0.87 C ATOM 606 CD1 TRP A 51 -4.406 0.046 -0.302 1.00 0.85 C ATOM 607 CD2 TRP A 51 -6.629 0.190 -0.056 1.00 0.81 C ATOM 608 NE1 TRP A 51 -4.792 1.362 -0.437 1.00 0.82 N ATOM 609 CE2 TRP A 51 -6.134 1.520 -0.210 1.00 0.77 C ATOM 610 CE3 TRP A 51 -8.007 0.060 0.239 1.00 0.78 C ATOM 611 CZ2 TRP A 51 -6.945 2.653 -0.086 1.00 0.71 C ATOM 612 CZ3 TRP A 51 -8.825 1.197 0.410 1.00 0.70 C ATOM 613 CH2 TRP A 51 -8.295 2.490 0.254 1.00 0.67 C ATOM 0 H TRP A 51 -3.900 -2.110 1.768 1.00 0.91 H new ATOM 0 HA TRP A 51 -6.782 -2.247 1.678 1.00 0.88 H new ATOM 0 HB2 TRP A 51 -4.564 -2.651 -0.340 1.00 0.92 H new ATOM 0 HB3 TRP A 51 -6.271 -2.651 -0.733 1.00 0.92 H new ATOM 0 HD1 TRP A 51 -3.384 -0.304 -0.301 1.00 0.85 H new ATOM 0 HE1 TRP A 51 -4.157 2.124 -0.676 1.00 0.82 H new ATOM 0 HE3 TRP A 51 -8.439 -0.925 0.335 1.00 0.78 H new ATOM 0 HZ2 TRP A 51 -6.537 3.639 -0.250 1.00 0.71 H new ATOM 0 HZ3 TRP A 51 -9.868 1.073 0.663 1.00 0.70 H new ATOM 0 HH2 TRP A 51 -8.926 3.355 0.396 1.00 0.67 H new ATOM 624 N ASN A 52 -5.262 -5.135 1.736 1.00 0.99 N ATOM 625 CA ASN A 52 -5.515 -6.528 2.112 1.00 1.02 C ATOM 626 C ASN A 52 -6.213 -6.671 3.478 1.00 0.94 C ATOM 627 O ASN A 52 -6.994 -7.606 3.660 1.00 0.94 O ATOM 628 CB ASN A 52 -4.171 -7.271 2.127 1.00 1.18 C ATOM 629 CG ASN A 52 -3.625 -7.619 0.752 1.00 1.48 C ATOM 630 OD1 ASN A 52 -4.329 -7.652 -0.252 1.00 1.87 O ATOM 631 ND2 ASN A 52 -2.369 -7.972 0.672 1.00 1.58 N ATOM 0 H ASN A 52 -4.269 -4.910 1.671 1.00 0.99 H new ATOM 0 HA ASN A 52 -6.197 -6.957 1.378 1.00 1.02 H new ATOM 0 HB2 ASN A 52 -3.437 -6.657 2.650 1.00 1.18 H new ATOM 0 HB3 ASN A 52 -4.285 -8.190 2.701 1.00 1.18 H new ATOM 0 HD21 ASN A 52 -1.980 -8.273 -0.222 1.00 1.58 H new ATOM 0 HD22 ASN A 52 -1.778 -7.947 1.503 1.00 1.58 H new ATOM 638 N SER A 53 -5.975 -5.750 4.420 1.00 0.93 N ATOM 639 CA SER A 53 -6.731 -5.663 5.675 1.00 0.88 C ATOM 640 C SER A 53 -8.165 -5.184 5.443 1.00 0.78 C ATOM 641 O SER A 53 -9.076 -5.794 5.986 1.00 0.78 O ATOM 642 CB SER A 53 -6.038 -4.786 6.727 1.00 0.87 C ATOM 643 OG SER A 53 -4.754 -5.297 7.051 1.00 1.58 O ATOM 0 H SER A 53 -5.248 -5.040 4.332 1.00 0.93 H new ATOM 0 HA SER A 53 -6.767 -6.678 6.070 1.00 0.88 H new ATOM 0 HB2 SER A 53 -5.943 -3.767 6.351 1.00 0.87 H new ATOM 0 HB3 SER A 53 -6.652 -4.738 7.627 1.00 0.87 H new ATOM 0 HG SER A 53 -4.134 -5.114 6.315 1.00 1.58 H new ATOM 649 N ILE A 54 -8.421 -4.188 4.583 1.00 0.72 N ATOM 650 CA ILE A 54 -9.799 -3.801 4.210 1.00 0.65 C ATOM 651 C ILE A 54 -10.546 -4.995 3.593 1.00 0.62 C ATOM 652 O ILE A 54 -11.685 -5.278 3.972 1.00 0.59 O ATOM 653 CB ILE A 54 -9.788 -2.570 3.273 1.00 0.70 C ATOM 654 CG1 ILE A 54 -9.141 -1.328 3.932 1.00 0.76 C ATOM 655 CG2 ILE A 54 -11.200 -2.223 2.766 1.00 0.68 C ATOM 656 CD1 ILE A 54 -9.832 -0.806 5.201 1.00 0.68 C ATOM 0 H ILE A 54 -7.695 -3.633 4.130 1.00 0.72 H new ATOM 0 HA ILE A 54 -10.340 -3.512 5.111 1.00 0.65 H new ATOM 0 HB ILE A 54 -9.172 -2.852 2.419 1.00 0.70 H new ATOM 0 HG12 ILE A 54 -8.107 -1.568 4.177 1.00 0.76 H new ATOM 0 HG13 ILE A 54 -9.116 -0.523 3.198 1.00 0.76 H new ATOM 0 HG21 ILE A 54 -11.148 -1.353 2.111 1.00 0.68 H new ATOM 0 HG22 ILE A 54 -11.606 -3.070 2.213 1.00 0.68 H new ATOM 0 HG23 ILE A 54 -11.847 -2.000 3.615 1.00 0.68 H new ATOM 0 HD11 ILE A 54 -9.294 0.065 5.576 1.00 0.68 H new ATOM 0 HD12 ILE A 54 -10.859 -0.525 4.967 1.00 0.68 H new ATOM 0 HD13 ILE A 54 -9.834 -1.587 5.962 1.00 0.68 H new ATOM 668 N VAL A 55 -9.870 -5.767 2.736 1.00 0.66 N ATOM 669 CA VAL A 55 -10.380 -7.039 2.205 1.00 0.65 C ATOM 670 C VAL A 55 -10.717 -8.017 3.338 1.00 0.63 C ATOM 671 O VAL A 55 -11.848 -8.488 3.385 1.00 0.61 O ATOM 672 CB VAL A 55 -9.375 -7.632 1.197 1.00 0.74 C ATOM 673 CG1 VAL A 55 -9.661 -9.079 0.788 1.00 0.79 C ATOM 674 CG2 VAL A 55 -9.330 -6.794 -0.080 1.00 0.78 C ATOM 0 H VAL A 55 -8.943 -5.525 2.387 1.00 0.66 H new ATOM 0 HA VAL A 55 -11.312 -6.852 1.671 1.00 0.65 H new ATOM 0 HB VAL A 55 -8.422 -7.617 1.726 1.00 0.74 H new ATOM 0 HG11 VAL A 55 -8.904 -9.413 0.078 1.00 0.79 H new ATOM 0 HG12 VAL A 55 -9.637 -9.718 1.671 1.00 0.79 H new ATOM 0 HG13 VAL A 55 -10.645 -9.138 0.324 1.00 0.79 H new ATOM 0 HG21 VAL A 55 -8.615 -7.231 -0.777 1.00 0.78 H new ATOM 0 HG22 VAL A 55 -10.319 -6.776 -0.539 1.00 0.78 H new ATOM 0 HG23 VAL A 55 -9.025 -5.776 0.163 1.00 0.78 H new ATOM 684 N MET A 56 -9.816 -8.273 4.298 1.00 0.72 N ATOM 685 CA MET A 56 -10.101 -9.136 5.464 1.00 0.81 C ATOM 686 C MET A 56 -11.289 -8.634 6.302 1.00 0.80 C ATOM 687 O MET A 56 -12.149 -9.424 6.699 1.00 0.90 O ATOM 688 CB MET A 56 -8.870 -9.245 6.384 1.00 0.87 C ATOM 689 CG MET A 56 -7.757 -10.147 5.848 1.00 0.98 C ATOM 690 SD MET A 56 -8.206 -11.901 5.730 1.00 1.44 S ATOM 691 CE MET A 56 -6.570 -12.611 5.405 1.00 2.43 C ATOM 0 H MET A 56 -8.870 -7.891 4.292 1.00 0.72 H new ATOM 0 HA MET A 56 -10.356 -10.113 5.053 1.00 0.81 H new ATOM 0 HB2 MET A 56 -8.464 -8.247 6.547 1.00 0.87 H new ATOM 0 HB3 MET A 56 -9.190 -9.622 7.355 1.00 0.87 H new ATOM 0 HG2 MET A 56 -7.463 -9.793 4.860 1.00 0.98 H new ATOM 0 HG3 MET A 56 -6.885 -10.050 6.494 1.00 0.98 H new ATOM 0 HE1 MET A 56 -6.657 -13.693 5.303 1.00 2.43 H new ATOM 0 HE2 MET A 56 -6.168 -12.191 4.483 1.00 2.43 H new ATOM 0 HE3 MET A 56 -5.901 -12.377 6.233 1.00 2.43 H new ATOM 701 N GLN A 57 -11.373 -7.327 6.547 1.00 0.72 N ATOM 702 CA GLN A 57 -12.407 -6.706 7.378 1.00 0.77 C ATOM 703 C GLN A 57 -13.766 -6.623 6.662 1.00 0.73 C ATOM 704 O GLN A 57 -14.794 -6.515 7.325 1.00 0.88 O ATOM 705 CB GLN A 57 -11.941 -5.327 7.871 1.00 0.77 C ATOM 706 CG GLN A 57 -10.688 -5.351 8.769 1.00 1.05 C ATOM 707 CD GLN A 57 -10.841 -6.084 10.098 1.00 1.01 C ATOM 708 OE1 GLN A 57 -11.923 -6.362 10.603 1.00 1.53 O ATOM 709 NE2 GLN A 57 -9.747 -6.445 10.721 1.00 1.41 N ATOM 0 H GLN A 57 -10.709 -6.654 6.165 1.00 0.72 H new ATOM 0 HA GLN A 57 -12.560 -7.348 8.245 1.00 0.77 H new ATOM 0 HB2 GLN A 57 -11.738 -4.697 7.005 1.00 0.77 H new ATOM 0 HB3 GLN A 57 -12.757 -4.859 8.422 1.00 0.77 H new ATOM 0 HG2 GLN A 57 -9.873 -5.813 8.212 1.00 1.05 H new ATOM 0 HG3 GLN A 57 -10.391 -4.323 8.974 1.00 1.05 H new ATOM 0 HE21 GLN A 57 -8.835 -6.225 10.320 1.00 1.41 H new ATOM 0 HE22 GLN A 57 -9.807 -6.947 11.607 1.00 1.41 H new ATOM 718 N ARG A 58 -13.806 -6.757 5.331 1.00 0.65 N ATOM 719 CA ARG A 58 -15.037 -7.041 4.567 1.00 0.75 C ATOM 720 C ARG A 58 -15.349 -8.541 4.477 1.00 0.85 C ATOM 721 O ARG A 58 -16.501 -8.964 4.601 1.00 1.08 O ATOM 722 CB ARG A 58 -14.919 -6.367 3.193 1.00 0.76 C ATOM 723 CG ARG A 58 -14.991 -4.837 3.315 1.00 0.84 C ATOM 724 CD ARG A 58 -14.763 -4.147 1.967 1.00 1.15 C ATOM 725 NE ARG A 58 -15.270 -2.767 1.993 1.00 1.01 N ATOM 726 CZ ARG A 58 -15.847 -2.087 1.022 1.00 1.99 C ATOM 727 NH1 ARG A 58 -16.027 -2.526 -0.192 1.00 4.04 N ATOM 728 NH2 ARG A 58 -16.275 -0.895 1.290 1.00 1.68 N ATOM 0 H ARG A 58 -12.977 -6.671 4.743 1.00 0.65 H new ATOM 0 HA ARG A 58 -15.894 -6.622 5.095 1.00 0.75 H new ATOM 0 HB2 ARG A 58 -13.977 -6.653 2.725 1.00 0.76 H new ATOM 0 HB3 ARG A 58 -15.719 -6.720 2.542 1.00 0.76 H new ATOM 0 HG2 ARG A 58 -15.965 -4.549 3.710 1.00 0.84 H new ATOM 0 HG3 ARG A 58 -14.243 -4.494 4.030 1.00 0.84 H new ATOM 0 HD2 ARG A 58 -13.699 -4.144 1.731 1.00 1.15 H new ATOM 0 HD3 ARG A 58 -15.263 -4.708 1.177 1.00 1.15 H new ATOM 0 HE ARG A 58 -15.161 -2.271 2.878 1.00 1.01 H new ATOM 0 HH11 ARG A 58 -15.711 -3.461 -0.448 1.00 4.04 H new ATOM 0 HH12 ARG A 58 -16.484 -1.934 -0.886 1.00 4.04 H new ATOM 0 HH21 ARG A 58 -16.161 -0.511 2.228 1.00 1.68 H new ATOM 0 HH22 ARG A 58 -16.727 -0.340 0.563 1.00 1.68 H new ATOM 742 N ARG A 59 -14.318 -9.375 4.355 1.00 0.81 N ATOM 743 CA ARG A 59 -14.408 -10.845 4.249 1.00 0.94 C ATOM 744 C ARG A 59 -14.797 -11.532 5.566 1.00 1.27 C ATOM 745 O ARG A 59 -15.265 -12.670 5.539 1.00 1.55 O ATOM 746 CB ARG A 59 -13.117 -11.362 3.595 1.00 0.90 C ATOM 747 CG ARG A 59 -13.181 -12.820 3.121 1.00 1.07 C ATOM 748 CD ARG A 59 -12.022 -13.080 2.149 1.00 1.21 C ATOM 749 NE ARG A 59 -11.916 -14.495 1.739 1.00 1.71 N ATOM 750 CZ ARG A 59 -10.797 -15.174 1.552 1.00 2.02 C ATOM 751 NH1 ARG A 59 -9.616 -14.680 1.750 1.00 2.22 N ATOM 752 NH2 ARG A 59 -10.804 -16.403 1.138 1.00 2.67 N ATOM 0 H ARG A 59 -13.355 -9.040 4.325 1.00 0.81 H new ATOM 0 HA ARG A 59 -15.241 -11.117 3.601 1.00 0.94 H new ATOM 0 HB2 ARG A 59 -12.878 -10.727 2.742 1.00 0.90 H new ATOM 0 HB3 ARG A 59 -12.298 -11.261 4.308 1.00 0.90 H new ATOM 0 HG2 ARG A 59 -13.117 -13.496 3.973 1.00 1.07 H new ATOM 0 HG3 ARG A 59 -14.135 -13.015 2.631 1.00 1.07 H new ATOM 0 HD2 ARG A 59 -12.153 -12.460 1.262 1.00 1.21 H new ATOM 0 HD3 ARG A 59 -11.087 -12.773 2.617 1.00 1.21 H new ATOM 0 HE ARG A 59 -12.791 -14.997 1.585 1.00 1.71 H new ATOM 0 HH11 ARG A 59 -9.513 -13.716 2.068 1.00 2.22 H new ATOM 0 HH12 ARG A 59 -8.789 -15.255 1.588 1.00 2.22 H new ATOM 0 HH21 ARG A 59 -11.690 -16.872 0.947 1.00 2.67 H new ATOM 0 HH22 ARG A 59 -9.924 -16.901 1.003 1.00 2.67 H new ATOM 766 N LYS A 60 -14.777 -10.797 6.690 1.00 1.29 N ATOM 767 CA LYS A 60 -15.451 -11.180 7.950 1.00 1.53 C ATOM 768 C LYS A 60 -16.959 -11.420 7.770 1.00 1.62 C ATOM 769 O LYS A 60 -17.521 -12.257 8.480 1.00 1.79 O ATOM 770 CB LYS A 60 -15.149 -10.155 9.066 1.00 1.63 C ATOM 771 CG LYS A 60 -16.022 -8.889 9.068 1.00 1.59 C ATOM 772 CD LYS A 60 -15.468 -7.813 10.020 1.00 1.76 C ATOM 773 CE LYS A 60 -16.345 -6.548 9.986 1.00 1.67 C ATOM 774 NZ LYS A 60 -15.736 -5.400 10.701 1.00 2.12 N ATOM 0 H LYS A 60 -14.286 -9.905 6.754 1.00 1.29 H new ATOM 0 HA LYS A 60 -15.038 -12.140 8.259 1.00 1.53 H new ATOM 0 HB2 LYS A 60 -15.261 -10.652 10.030 1.00 1.63 H new ATOM 0 HB3 LYS A 60 -14.105 -9.853 8.983 1.00 1.63 H new ATOM 0 HG2 LYS A 60 -16.079 -8.485 8.057 1.00 1.59 H new ATOM 0 HG3 LYS A 60 -17.038 -9.149 9.365 1.00 1.59 H new ATOM 0 HD2 LYS A 60 -15.428 -8.206 11.036 1.00 1.76 H new ATOM 0 HD3 LYS A 60 -14.447 -7.560 9.735 1.00 1.76 H new ATOM 0 HE2 LYS A 60 -16.528 -6.267 8.949 1.00 1.67 H new ATOM 0 HE3 LYS A 60 -17.314 -6.773 10.431 1.00 1.67 H new ATOM 0 HZ1 LYS A 60 -16.371 -4.579 10.644 1.00 2.12 H new ATOM 0 HZ2 LYS A 60 -15.586 -5.653 11.699 1.00 2.12 H new ATOM 0 HZ3 LYS A 60 -14.823 -5.163 10.263 1.00 2.12 H new ATOM 788 N ASN A 61 -17.593 -10.724 6.812 1.00 1.55 N ATOM 789 CA ASN A 61 -19.017 -10.845 6.496 1.00 1.65 C ATOM 790 C ASN A 61 -19.325 -11.735 5.268 1.00 1.50 C ATOM 791 O ASN A 61 -20.418 -12.291 5.184 1.00 1.69 O ATOM 792 CB ASN A 61 -19.618 -9.449 6.311 1.00 1.79 C ATOM 793 CG ASN A 61 -19.682 -8.690 7.617 1.00 2.09 C ATOM 794 OD1 ASN A 61 -20.470 -8.987 8.504 1.00 2.44 O ATOM 795 ND2 ASN A 61 -18.838 -7.714 7.793 1.00 2.09 N ATOM 0 H ASN A 61 -17.112 -10.045 6.223 1.00 1.55 H new ATOM 0 HA ASN A 61 -19.479 -11.353 7.342 1.00 1.65 H new ATOM 0 HB2 ASN A 61 -19.020 -8.888 5.593 1.00 1.79 H new ATOM 0 HB3 ASN A 61 -20.620 -9.537 5.892 1.00 1.79 H new ATOM 0 HD21 ASN A 61 -18.833 -7.196 8.672 1.00 2.09 H new ATOM 0 HD22 ASN A 61 -18.182 -7.468 7.052 1.00 2.09 H new ATOM 802 N GLY A 62 -18.391 -11.880 4.319 1.00 1.21 N ATOM 803 CA GLY A 62 -18.487 -12.844 3.203 1.00 1.11 C ATOM 804 C GLY A 62 -19.495 -12.525 2.076 1.00 1.19 C ATOM 805 O GLY A 62 -19.865 -13.429 1.326 1.00 1.29 O ATOM 0 H GLY A 62 -17.535 -11.326 4.300 1.00 1.21 H new ATOM 0 HA2 GLY A 62 -17.498 -12.940 2.754 1.00 1.11 H new ATOM 0 HA3 GLY A 62 -18.744 -13.818 3.620 1.00 1.11 H new ATOM 809 N VAL A 63 -19.980 -11.279 1.976 1.00 1.27 N ATOM 810 CA VAL A 63 -21.259 -10.921 1.308 1.00 1.55 C ATOM 811 C VAL A 63 -21.162 -9.906 0.142 1.00 1.54 C ATOM 812 O VAL A 63 -22.126 -9.711 -0.606 1.00 2.04 O ATOM 813 CB VAL A 63 -22.223 -10.436 2.418 1.00 1.87 C ATOM 814 CG1 VAL A 63 -21.746 -9.141 3.094 1.00 1.78 C ATOM 815 CG2 VAL A 63 -23.665 -10.227 1.955 1.00 2.32 C ATOM 0 H VAL A 63 -19.492 -10.470 2.361 1.00 1.27 H new ATOM 0 HA VAL A 63 -21.627 -11.813 0.801 1.00 1.55 H new ATOM 0 HB VAL A 63 -22.211 -11.258 3.134 1.00 1.87 H new ATOM 0 HG11 VAL A 63 -22.460 -8.848 3.863 1.00 1.78 H new ATOM 0 HG12 VAL A 63 -20.770 -9.307 3.549 1.00 1.78 H new ATOM 0 HG13 VAL A 63 -21.669 -8.349 2.349 1.00 1.78 H new ATOM 0 HG21 VAL A 63 -24.271 -9.888 2.795 1.00 2.32 H new ATOM 0 HG22 VAL A 63 -23.688 -9.477 1.164 1.00 2.32 H new ATOM 0 HG23 VAL A 63 -24.065 -11.167 1.575 1.00 2.32 H new ATOM 825 N LYS A 64 -20.016 -9.228 -0.007 1.00 1.29 N ATOM 826 CA LYS A 64 -19.815 -8.014 -0.824 1.00 1.34 C ATOM 827 C LYS A 64 -18.481 -8.006 -1.590 1.00 1.23 C ATOM 828 O LYS A 64 -17.646 -8.867 -1.301 1.00 1.09 O ATOM 829 CB LYS A 64 -19.925 -6.818 0.138 1.00 1.52 C ATOM 830 CG LYS A 64 -18.777 -6.699 1.162 1.00 1.34 C ATOM 831 CD LYS A 64 -18.561 -5.240 1.580 1.00 1.51 C ATOM 832 CE LYS A 64 -19.844 -4.639 2.181 1.00 2.06 C ATOM 833 NZ LYS A 64 -19.711 -3.200 2.491 1.00 2.01 N ATOM 0 H LYS A 64 -19.159 -9.522 0.461 1.00 1.29 H new ATOM 0 HA LYS A 64 -20.573 -7.969 -1.606 1.00 1.34 H new ATOM 0 HB2 LYS A 64 -19.965 -5.901 -0.449 1.00 1.52 H new ATOM 0 HB3 LYS A 64 -20.868 -6.891 0.679 1.00 1.52 H new ATOM 0 HG2 LYS A 64 -19.005 -7.303 2.041 1.00 1.34 H new ATOM 0 HG3 LYS A 64 -17.858 -7.097 0.731 1.00 1.34 H new ATOM 0 HD2 LYS A 64 -17.753 -5.183 2.310 1.00 1.51 H new ATOM 0 HD3 LYS A 64 -18.251 -4.653 0.715 1.00 1.51 H new ATOM 0 HE2 LYS A 64 -20.668 -4.781 1.482 1.00 2.06 H new ATOM 0 HE3 LYS A 64 -20.101 -5.180 3.092 1.00 2.06 H new ATOM 0 HZ1 LYS A 64 -20.603 -2.848 2.893 1.00 2.01 H new ATOM 0 HZ2 LYS A 64 -18.943 -3.063 3.179 1.00 2.01 H new ATOM 0 HZ3 LYS A 64 -19.493 -2.676 1.620 1.00 2.01 H new ATOM 847 N PRO A 65 -18.217 -7.036 -2.491 1.00 1.41 N ATOM 848 CA PRO A 65 -16.859 -6.792 -2.977 1.00 1.37 C ATOM 849 C PRO A 65 -15.935 -6.350 -1.828 1.00 1.16 C ATOM 850 O PRO A 65 -16.027 -5.244 -1.283 1.00 1.19 O ATOM 851 CB PRO A 65 -16.993 -5.746 -4.087 1.00 1.65 C ATOM 852 CG PRO A 65 -18.268 -4.996 -3.724 1.00 1.78 C ATOM 853 CD PRO A 65 -19.141 -6.097 -3.126 1.00 1.67 C ATOM 0 HA PRO A 65 -16.393 -7.694 -3.374 1.00 1.37 H new ATOM 0 HB2 PRO A 65 -16.131 -5.080 -4.116 1.00 1.65 H new ATOM 0 HB3 PRO A 65 -17.068 -6.212 -5.069 1.00 1.65 H new ATOM 0 HG2 PRO A 65 -18.078 -4.195 -3.009 1.00 1.78 H new ATOM 0 HG3 PRO A 65 -18.733 -4.539 -4.598 1.00 1.78 H new ATOM 0 HD2 PRO A 65 -19.844 -5.688 -2.400 1.00 1.67 H new ATOM 0 HD3 PRO A 65 -19.731 -6.591 -3.898 1.00 1.67 H new ATOM 861 N PHE A 66 -15.050 -7.263 -1.440 1.00 1.01 N ATOM 862 CA PHE A 66 -14.005 -7.080 -0.438 1.00 0.73 C ATOM 863 C PHE A 66 -12.947 -6.073 -0.889 1.00 0.62 C ATOM 864 O PHE A 66 -12.620 -5.160 -0.137 1.00 0.58 O ATOM 865 CB PHE A 66 -13.339 -8.428 -0.138 1.00 0.68 C ATOM 866 CG PHE A 66 -14.249 -9.607 0.152 1.00 0.74 C ATOM 867 CD1 PHE A 66 -15.408 -9.465 0.941 1.00 1.84 C ATOM 868 CD2 PHE A 66 -13.922 -10.869 -0.377 1.00 1.83 C ATOM 869 CE1 PHE A 66 -16.235 -10.571 1.193 1.00 1.87 C ATOM 870 CE2 PHE A 66 -14.745 -11.975 -0.118 1.00 1.88 C ATOM 871 CZ PHE A 66 -15.899 -11.829 0.664 1.00 0.89 C ATOM 0 H PHE A 66 -15.042 -8.202 -1.838 1.00 1.01 H new ATOM 0 HA PHE A 66 -14.475 -6.684 0.462 1.00 0.73 H new ATOM 0 HB2 PHE A 66 -12.710 -8.689 -0.989 1.00 0.68 H new ATOM 0 HB3 PHE A 66 -12.678 -8.294 0.718 1.00 0.68 H new ATOM 0 HD1 PHE A 66 -15.661 -8.500 1.354 1.00 1.84 H new ATOM 0 HD2 PHE A 66 -13.036 -10.986 -0.983 1.00 1.83 H new ATOM 0 HE1 PHE A 66 -17.127 -10.456 1.791 1.00 1.87 H new ATOM 0 HE2 PHE A 66 -14.488 -12.943 -0.523 1.00 1.88 H new ATOM 0 HZ PHE A 66 -16.530 -12.683 0.860 1.00 0.89 H new ATOM 881 N MET A 67 -12.448 -6.202 -2.122 1.00 0.73 N ATOM 882 CA MET A 67 -11.698 -5.143 -2.800 1.00 0.81 C ATOM 883 C MET A 67 -12.631 -3.946 -3.078 1.00 0.85 C ATOM 884 O MET A 67 -13.552 -4.085 -3.893 1.00 0.96 O ATOM 885 CB MET A 67 -11.092 -5.670 -4.109 1.00 1.00 C ATOM 886 CG MET A 67 -9.759 -6.380 -3.874 1.00 1.02 C ATOM 887 SD MET A 67 -8.452 -5.296 -3.232 1.00 1.05 S ATOM 888 CE MET A 67 -7.109 -6.499 -3.167 1.00 1.20 C ATOM 0 H MET A 67 -12.554 -7.049 -2.680 1.00 0.73 H new ATOM 0 HA MET A 67 -10.882 -4.815 -2.157 1.00 0.81 H new ATOM 0 HB2 MET A 67 -11.792 -6.359 -4.582 1.00 1.00 H new ATOM 0 HB3 MET A 67 -10.945 -4.841 -4.801 1.00 1.00 H new ATOM 0 HG2 MET A 67 -9.914 -7.200 -3.173 1.00 1.02 H new ATOM 0 HG3 MET A 67 -9.423 -6.821 -4.812 1.00 1.02 H new ATOM 0 HE1 MET A 67 -6.328 -6.137 -2.499 1.00 1.20 H new ATOM 0 HE2 MET A 67 -7.491 -7.451 -2.797 1.00 1.20 H new ATOM 0 HE3 MET A 67 -6.696 -6.638 -4.166 1.00 1.20 H new ATOM 898 N PRO A 68 -12.431 -2.783 -2.426 1.00 0.81 N ATOM 899 CA PRO A 68 -13.361 -1.653 -2.483 1.00 0.83 C ATOM 900 C PRO A 68 -13.413 -0.970 -3.858 1.00 0.95 C ATOM 901 O PRO A 68 -12.501 -1.104 -4.683 1.00 1.14 O ATOM 902 CB PRO A 68 -12.896 -0.693 -1.380 1.00 0.76 C ATOM 903 CG PRO A 68 -11.406 -0.991 -1.249 1.00 0.76 C ATOM 904 CD PRO A 68 -11.333 -2.487 -1.516 1.00 0.75 C ATOM 0 HA PRO A 68 -14.385 -1.991 -2.327 1.00 0.83 H new ATOM 0 HB2 PRO A 68 -13.074 0.347 -1.653 1.00 0.76 H new ATOM 0 HB3 PRO A 68 -13.424 -0.872 -0.444 1.00 0.76 H new ATOM 0 HG2 PRO A 68 -10.816 -0.423 -1.968 1.00 0.76 H new ATOM 0 HG3 PRO A 68 -11.029 -0.739 -0.258 1.00 0.76 H new ATOM 0 HD2 PRO A 68 -10.375 -2.759 -1.959 1.00 0.75 H new ATOM 0 HD3 PRO A 68 -11.429 -3.054 -0.590 1.00 0.75 H new ATOM 912 N THR A 69 -14.474 -0.194 -4.095 1.00 1.00 N ATOM 913 CA THR A 69 -14.622 0.646 -5.293 1.00 1.08 C ATOM 914 C THR A 69 -14.101 2.064 -5.045 1.00 1.04 C ATOM 915 O THR A 69 -13.748 2.425 -3.922 1.00 0.93 O ATOM 916 CB THR A 69 -16.049 0.575 -5.871 1.00 1.16 C ATOM 917 OG1 THR A 69 -16.951 1.336 -5.104 1.00 1.30 O ATOM 918 CG2 THR A 69 -16.577 -0.864 -5.937 1.00 1.25 C ATOM 0 H THR A 69 -15.265 -0.129 -3.455 1.00 1.00 H new ATOM 0 HA THR A 69 -13.987 0.241 -6.081 1.00 1.08 H new ATOM 0 HB THR A 69 -15.981 0.979 -6.881 1.00 1.16 H new ATOM 0 HG1 THR A 69 -17.847 1.273 -5.495 1.00 1.30 H new ATOM 0 HG21 THR A 69 -17.585 -0.863 -6.351 1.00 1.25 H new ATOM 0 HG22 THR A 69 -15.924 -1.462 -6.573 1.00 1.25 H new ATOM 0 HG23 THR A 69 -16.597 -1.291 -4.934 1.00 1.25 H new ATOM 926 N ALA A 70 -13.944 2.867 -6.096 1.00 1.14 N ATOM 927 CA ALA A 70 -13.127 4.087 -6.060 1.00 1.12 C ATOM 928 C ALA A 70 -13.592 5.143 -5.033 1.00 1.14 C ATOM 929 O ALA A 70 -12.756 5.678 -4.298 1.00 1.09 O ATOM 930 CB ALA A 70 -13.063 4.663 -7.475 1.00 1.25 C ATOM 0 H ALA A 70 -14.380 2.692 -7.002 1.00 1.14 H new ATOM 0 HA ALA A 70 -12.133 3.807 -5.712 1.00 1.12 H new ATOM 0 HB1 ALA A 70 -12.460 5.571 -7.471 1.00 1.25 H new ATOM 0 HB2 ALA A 70 -12.613 3.931 -8.146 1.00 1.25 H new ATOM 0 HB3 ALA A 70 -14.071 4.898 -7.818 1.00 1.25 H new ATOM 936 N ALA A 71 -14.904 5.381 -4.923 1.00 1.25 N ATOM 937 CA ALA A 71 -15.504 6.275 -3.926 1.00 1.32 C ATOM 938 C ALA A 71 -15.338 5.755 -2.488 1.00 1.21 C ATOM 939 O ALA A 71 -15.224 6.544 -1.546 1.00 1.21 O ATOM 940 CB ALA A 71 -16.997 6.427 -4.249 1.00 1.46 C ATOM 0 H ALA A 71 -15.593 4.948 -5.538 1.00 1.25 H new ATOM 0 HA ALA A 71 -14.989 7.234 -3.977 1.00 1.32 H new ATOM 0 HB1 ALA A 71 -17.462 7.089 -3.518 1.00 1.46 H new ATOM 0 HB2 ALA A 71 -17.112 6.850 -5.247 1.00 1.46 H new ATOM 0 HB3 ALA A 71 -17.479 5.450 -4.212 1.00 1.46 H new ATOM 946 N GLU A 72 -15.288 4.428 -2.324 1.00 1.13 N ATOM 947 CA GLU A 72 -15.057 3.765 -1.051 1.00 1.04 C ATOM 948 C GLU A 72 -13.592 3.936 -0.671 1.00 0.88 C ATOM 949 O GLU A 72 -13.318 4.448 0.409 1.00 0.84 O ATOM 950 CB GLU A 72 -15.467 2.285 -1.085 1.00 1.06 C ATOM 951 CG GLU A 72 -16.908 2.066 -1.552 1.00 1.28 C ATOM 952 CD GLU A 72 -17.352 0.631 -1.271 1.00 1.58 C ATOM 953 OE1 GLU A 72 -16.811 -0.345 -1.846 1.00 1.92 O ATOM 954 OE2 GLU A 72 -18.217 0.433 -0.384 1.00 2.31 O ATOM 0 H GLU A 72 -15.411 3.775 -3.098 1.00 1.13 H new ATOM 0 HA GLU A 72 -15.686 4.228 -0.291 1.00 1.04 H new ATOM 0 HB2 GLU A 72 -14.792 1.743 -1.747 1.00 1.06 H new ATOM 0 HB3 GLU A 72 -15.347 1.859 -0.089 1.00 1.06 H new ATOM 0 HG2 GLU A 72 -17.571 2.764 -1.042 1.00 1.28 H new ATOM 0 HG3 GLU A 72 -16.986 2.274 -2.619 1.00 1.28 H new ATOM 961 N ARG A 73 -12.647 3.625 -1.576 1.00 0.83 N ATOM 962 CA ARG A 73 -11.218 3.924 -1.358 1.00 0.77 C ATOM 963 C ARG A 73 -11.002 5.381 -0.939 1.00 0.81 C ATOM 964 O ARG A 73 -10.229 5.640 -0.021 1.00 0.75 O ATOM 965 CB ARG A 73 -10.375 3.646 -2.612 1.00 0.84 C ATOM 966 CG ARG A 73 -10.266 2.172 -3.018 1.00 1.32 C ATOM 967 CD ARG A 73 -9.403 1.998 -4.279 1.00 1.45 C ATOM 968 NE ARG A 73 -7.957 2.144 -4.012 1.00 1.75 N ATOM 969 CZ ARG A 73 -7.201 3.214 -4.191 1.00 2.46 C ATOM 970 NH1 ARG A 73 -7.656 4.376 -4.568 1.00 3.55 N ATOM 971 NH2 ARG A 73 -5.920 3.144 -3.992 1.00 3.25 N ATOM 0 H ARG A 73 -12.846 3.167 -2.465 1.00 0.83 H new ATOM 0 HA ARG A 73 -10.894 3.263 -0.554 1.00 0.77 H new ATOM 0 HB2 ARG A 73 -10.800 4.204 -3.446 1.00 0.84 H new ATOM 0 HB3 ARG A 73 -9.370 4.035 -2.447 1.00 0.84 H new ATOM 0 HG2 ARG A 73 -9.834 1.598 -2.198 1.00 1.32 H new ATOM 0 HG3 ARG A 73 -11.262 1.769 -3.199 1.00 1.32 H new ATOM 0 HD2 ARG A 73 -9.590 1.014 -4.708 1.00 1.45 H new ATOM 0 HD3 ARG A 73 -9.706 2.734 -5.024 1.00 1.45 H new ATOM 0 HE ARG A 73 -7.484 1.318 -3.645 1.00 1.75 H new ATOM 0 HH11 ARG A 73 -8.653 4.501 -4.744 1.00 3.55 H new ATOM 0 HH12 ARG A 73 -7.015 5.161 -4.687 1.00 3.55 H new ATOM 0 HH21 ARG A 73 -5.497 2.264 -3.698 1.00 3.25 H new ATOM 0 HH22 ARG A 73 -5.337 3.969 -4.130 1.00 3.25 H new ATOM 985 N ASP A 74 -11.716 6.314 -1.573 1.00 0.92 N ATOM 986 CA ASP A 74 -11.644 7.739 -1.251 1.00 1.01 C ATOM 987 C ASP A 74 -12.139 8.057 0.172 1.00 1.00 C ATOM 988 O ASP A 74 -11.392 8.671 0.941 1.00 0.99 O ATOM 989 CB ASP A 74 -12.412 8.539 -2.310 1.00 1.17 C ATOM 990 CG ASP A 74 -12.184 10.045 -2.146 1.00 1.41 C ATOM 991 OD1 ASP A 74 -11.010 10.487 -2.160 1.00 2.79 O ATOM 992 OD2 ASP A 74 -13.152 10.824 -2.000 1.00 1.68 O ATOM 0 H ASP A 74 -12.365 6.099 -2.330 1.00 0.92 H new ATOM 0 HA ASP A 74 -10.595 8.035 -1.267 1.00 1.01 H new ATOM 0 HB2 ASP A 74 -12.094 8.227 -3.305 1.00 1.17 H new ATOM 0 HB3 ASP A 74 -13.477 8.320 -2.232 1.00 1.17 H new ATOM 997 N GLU A 75 -13.345 7.613 0.558 1.00 1.03 N ATOM 998 CA GLU A 75 -13.861 7.839 1.917 1.00 1.04 C ATOM 999 C GLU A 75 -13.097 7.066 3.003 1.00 0.88 C ATOM 1000 O GLU A 75 -13.045 7.511 4.147 1.00 0.88 O ATOM 1001 CB GLU A 75 -15.372 7.570 2.022 1.00 1.16 C ATOM 1002 CG GLU A 75 -15.834 6.110 1.875 1.00 1.12 C ATOM 1003 CD GLU A 75 -17.022 5.797 2.793 1.00 1.39 C ATOM 1004 OE1 GLU A 75 -18.108 6.405 2.630 1.00 2.15 O ATOM 1005 OE2 GLU A 75 -16.874 4.937 3.697 1.00 2.27 O ATOM 0 H GLU A 75 -13.980 7.096 -0.050 1.00 1.03 H new ATOM 0 HA GLU A 75 -13.690 8.899 2.106 1.00 1.04 H new ATOM 0 HB2 GLU A 75 -15.715 7.938 2.989 1.00 1.16 H new ATOM 0 HB3 GLU A 75 -15.875 8.163 1.258 1.00 1.16 H new ATOM 0 HG2 GLU A 75 -16.114 5.919 0.839 1.00 1.12 H new ATOM 0 HG3 GLU A 75 -15.006 5.441 2.110 1.00 1.12 H new ATOM 1012 N ILE A 76 -12.475 5.937 2.658 1.00 0.77 N ATOM 1013 CA ILE A 76 -11.660 5.115 3.559 1.00 0.63 C ATOM 1014 C ILE A 76 -10.324 5.811 3.832 1.00 0.61 C ATOM 1015 O ILE A 76 -9.954 5.985 4.992 1.00 0.62 O ATOM 1016 CB ILE A 76 -11.517 3.695 2.964 1.00 0.56 C ATOM 1017 CG1 ILE A 76 -12.867 2.944 3.090 1.00 0.64 C ATOM 1018 CG2 ILE A 76 -10.389 2.906 3.647 1.00 0.48 C ATOM 1019 CD1 ILE A 76 -13.042 1.786 2.098 1.00 0.65 C ATOM 0 H ILE A 76 -12.525 5.556 1.713 1.00 0.77 H new ATOM 0 HA ILE A 76 -12.144 5.001 4.529 1.00 0.63 H new ATOM 0 HB ILE A 76 -11.252 3.787 1.911 1.00 0.56 H new ATOM 0 HG12 ILE A 76 -12.959 2.555 4.104 1.00 0.64 H new ATOM 0 HG13 ILE A 76 -13.680 3.656 2.946 1.00 0.64 H new ATOM 0 HG21 ILE A 76 -10.319 1.913 3.202 1.00 0.48 H new ATOM 0 HG22 ILE A 76 -9.444 3.432 3.512 1.00 0.48 H new ATOM 0 HG23 ILE A 76 -10.603 2.812 4.712 1.00 0.48 H new ATOM 0 HD11 ILE A 76 -14.013 1.316 2.255 1.00 0.65 H new ATOM 0 HD12 ILE A 76 -12.985 2.168 1.079 1.00 0.65 H new ATOM 0 HD13 ILE A 76 -12.253 1.050 2.255 1.00 0.65 H new ATOM 1031 N LEU A 77 -9.638 6.308 2.797 1.00 0.64 N ATOM 1032 CA LEU A 77 -8.450 7.156 2.964 1.00 0.69 C ATOM 1033 C LEU A 77 -8.765 8.436 3.743 1.00 0.77 C ATOM 1034 O LEU A 77 -7.974 8.855 4.586 1.00 0.81 O ATOM 1035 CB LEU A 77 -7.879 7.500 1.585 1.00 0.75 C ATOM 1036 CG LEU A 77 -7.072 6.350 0.964 1.00 0.72 C ATOM 1037 CD1 LEU A 77 -6.803 6.702 -0.491 1.00 0.82 C ATOM 1038 CD2 LEU A 77 -5.733 6.133 1.678 1.00 0.74 C ATOM 0 H LEU A 77 -9.888 6.135 1.823 1.00 0.64 H new ATOM 0 HA LEU A 77 -7.713 6.601 3.544 1.00 0.69 H new ATOM 0 HB2 LEU A 77 -8.697 7.765 0.915 1.00 0.75 H new ATOM 0 HB3 LEU A 77 -7.240 8.379 1.672 1.00 0.75 H new ATOM 0 HG LEU A 77 -7.648 5.430 1.059 1.00 0.72 H new ATOM 0 HD11 LEU A 77 -6.230 5.902 -0.959 1.00 0.82 H new ATOM 0 HD12 LEU A 77 -7.750 6.826 -1.017 1.00 0.82 H new ATOM 0 HD13 LEU A 77 -6.236 7.632 -0.542 1.00 0.82 H new ATOM 0 HD21 LEU A 77 -5.197 5.310 1.205 1.00 0.74 H new ATOM 0 HD22 LEU A 77 -5.134 7.041 1.612 1.00 0.74 H new ATOM 0 HD23 LEU A 77 -5.914 5.893 2.726 1.00 0.74 H new ATOM 1050 N ARG A 78 -9.951 9.015 3.527 1.00 0.82 N ATOM 1051 CA ARG A 78 -10.429 10.197 4.269 1.00 0.93 C ATOM 1052 C ARG A 78 -10.878 9.873 5.699 1.00 0.88 C ATOM 1053 O ARG A 78 -10.824 10.751 6.556 1.00 0.97 O ATOM 1054 CB ARG A 78 -11.484 10.974 3.459 1.00 1.16 C ATOM 1055 CG ARG A 78 -10.855 11.636 2.218 1.00 1.39 C ATOM 1056 CD ARG A 78 -11.888 12.289 1.291 1.00 1.73 C ATOM 1057 NE ARG A 78 -11.352 12.471 -0.072 1.00 2.89 N ATOM 1058 CZ ARG A 78 -10.471 13.359 -0.496 1.00 4.20 C ATOM 1059 NH1 ARG A 78 -10.110 14.398 0.195 1.00 4.82 N ATOM 1060 NH2 ARG A 78 -9.915 13.204 -1.657 1.00 5.53 N ATOM 0 H ARG A 78 -10.614 8.678 2.829 1.00 0.82 H new ATOM 0 HA ARG A 78 -9.574 10.861 4.395 1.00 0.93 H new ATOM 0 HB2 ARG A 78 -12.280 10.297 3.149 1.00 1.16 H new ATOM 0 HB3 ARG A 78 -11.941 11.737 4.089 1.00 1.16 H new ATOM 0 HG2 ARG A 78 -10.138 12.391 2.541 1.00 1.39 H new ATOM 0 HG3 ARG A 78 -10.297 10.886 1.658 1.00 1.39 H new ATOM 0 HD2 ARG A 78 -12.785 11.671 1.251 1.00 1.73 H new ATOM 0 HD3 ARG A 78 -12.185 13.255 1.699 1.00 1.73 H new ATOM 0 HE ARG A 78 -11.708 11.827 -0.778 1.00 2.89 H new ATOM 0 HH11 ARG A 78 -10.512 14.562 1.118 1.00 4.82 H new ATOM 0 HH12 ARG A 78 -9.424 15.050 -0.185 1.00 4.82 H new ATOM 0 HH21 ARG A 78 -10.159 12.401 -2.236 1.00 5.53 H new ATOM 0 HH22 ARG A 78 -9.234 13.886 -1.991 1.00 5.53 H new ATOM 1074 N ALA A 79 -11.244 8.624 5.998 1.00 0.83 N ATOM 1075 CA ALA A 79 -11.464 8.130 7.361 1.00 0.85 C ATOM 1076 C ALA A 79 -10.145 7.855 8.111 1.00 0.81 C ATOM 1077 O ALA A 79 -10.061 8.126 9.313 1.00 0.93 O ATOM 1078 CB ALA A 79 -12.368 6.894 7.306 1.00 0.86 C ATOM 0 H ALA A 79 -11.399 7.912 5.284 1.00 0.83 H new ATOM 0 HA ALA A 79 -11.963 8.909 7.937 1.00 0.85 H new ATOM 0 HB1 ALA A 79 -12.536 6.521 8.316 1.00 0.86 H new ATOM 0 HB2 ALA A 79 -13.323 7.162 6.854 1.00 0.86 H new ATOM 0 HB3 ALA A 79 -11.889 6.119 6.708 1.00 0.86 H new ATOM 1084 N VAL A 80 -9.085 7.415 7.421 1.00 0.71 N ATOM 1085 CA VAL A 80 -7.713 7.418 7.971 1.00 0.73 C ATOM 1086 C VAL A 80 -7.236 8.863 8.168 1.00 0.79 C ATOM 1087 O VAL A 80 -6.561 9.184 9.146 1.00 0.86 O ATOM 1088 CB VAL A 80 -6.746 6.640 7.050 1.00 0.70 C ATOM 1089 CG1 VAL A 80 -5.313 6.626 7.587 1.00 0.77 C ATOM 1090 CG2 VAL A 80 -7.153 5.173 6.888 1.00 0.68 C ATOM 0 H VAL A 80 -9.148 7.048 6.471 1.00 0.71 H new ATOM 0 HA VAL A 80 -7.723 6.915 8.938 1.00 0.73 H new ATOM 0 HB VAL A 80 -6.797 7.166 6.097 1.00 0.70 H new ATOM 0 HG11 VAL A 80 -4.674 6.067 6.904 1.00 0.77 H new ATOM 0 HG12 VAL A 80 -4.946 7.649 7.672 1.00 0.77 H new ATOM 0 HG13 VAL A 80 -5.297 6.152 8.568 1.00 0.77 H new ATOM 0 HG21 VAL A 80 -6.443 4.669 6.232 1.00 0.68 H new ATOM 0 HG22 VAL A 80 -7.155 4.686 7.863 1.00 0.68 H new ATOM 0 HG23 VAL A 80 -8.151 5.118 6.453 1.00 0.68 H new ATOM 1100 N GLY A 81 -7.593 9.743 7.227 1.00 0.81 N ATOM 1101 CA GLY A 81 -7.251 11.166 7.223 1.00 0.89 C ATOM 1102 C GLY A 81 -5.787 11.414 6.856 1.00 0.92 C ATOM 1103 O GLY A 81 -5.312 12.548 6.879 1.00 1.01 O ATOM 0 H GLY A 81 -8.150 9.471 6.417 1.00 0.81 H new ATOM 0 HA2 GLY A 81 -7.894 11.689 6.515 1.00 0.89 H new ATOM 0 HA3 GLY A 81 -7.452 11.588 8.208 1.00 0.89 H new ATOM 1107 N ASN A 82 -5.064 10.351 6.512 1.00 0.89 N ATOM 1108 CA ASN A 82 -3.629 10.310 6.277 1.00 1.00 C ATOM 1109 C ASN A 82 -3.306 9.187 5.272 1.00 0.93 C ATOM 1110 O ASN A 82 -4.181 8.406 4.889 1.00 0.85 O ATOM 1111 CB ASN A 82 -2.962 10.112 7.651 1.00 1.13 C ATOM 1112 CG ASN A 82 -1.451 10.004 7.620 1.00 1.47 C ATOM 1113 OD1 ASN A 82 -0.766 10.647 6.834 1.00 1.70 O ATOM 1114 ND2 ASN A 82 -0.889 9.170 8.456 1.00 2.25 N ATOM 0 H ASN A 82 -5.497 9.437 6.382 1.00 0.89 H new ATOM 0 HA ASN A 82 -3.248 11.229 5.832 1.00 1.00 H new ATOM 0 HB2 ASN A 82 -3.238 10.946 8.296 1.00 1.13 H new ATOM 0 HB3 ASN A 82 -3.366 9.209 8.108 1.00 1.13 H new ATOM 0 HD21 ASN A 82 0.124 9.053 8.456 1.00 2.25 H new ATOM 0 HD22 ASN A 82 -1.464 8.637 9.109 1.00 2.25 H new ATOM 1121 N MET A 83 -2.052 9.084 4.842 1.00 1.04 N ATOM 1122 CA MET A 83 -1.549 7.971 4.057 1.00 0.98 C ATOM 1123 C MET A 83 -1.376 6.732 4.957 1.00 0.93 C ATOM 1124 O MET A 83 -0.728 6.833 6.008 1.00 1.06 O ATOM 1125 CB MET A 83 -0.213 8.413 3.443 1.00 1.12 C ATOM 1126 CG MET A 83 0.247 7.523 2.283 1.00 1.13 C ATOM 1127 SD MET A 83 -0.224 8.076 0.618 1.00 1.19 S ATOM 1128 CE MET A 83 -2.022 7.855 0.572 1.00 1.12 C ATOM 0 H MET A 83 -1.343 9.791 5.037 1.00 1.04 H new ATOM 0 HA MET A 83 -2.245 7.697 3.264 1.00 0.98 H new ATOM 0 HB2 MET A 83 -0.306 9.440 3.089 1.00 1.12 H new ATOM 0 HB3 MET A 83 0.553 8.412 4.218 1.00 1.12 H new ATOM 0 HG2 MET A 83 1.333 7.441 2.323 1.00 1.13 H new ATOM 0 HG3 MET A 83 -0.154 6.522 2.439 1.00 1.13 H new ATOM 0 HE1 MET A 83 -2.393 8.097 -0.424 1.00 1.12 H new ATOM 0 HE2 MET A 83 -2.268 6.820 0.809 1.00 1.12 H new ATOM 0 HE3 MET A 83 -2.489 8.515 1.303 1.00 1.12 H new ATOM 1138 N PRO A 84 -1.886 5.546 4.564 1.00 0.82 N ATOM 1139 CA PRO A 84 -1.633 4.308 5.291 1.00 0.88 C ATOM 1140 C PRO A 84 -0.303 3.648 4.903 1.00 1.03 C ATOM 1141 O PRO A 84 0.024 2.586 5.434 1.00 1.24 O ATOM 1142 CB PRO A 84 -2.845 3.428 4.993 1.00 0.78 C ATOM 1143 CG PRO A 84 -3.302 3.846 3.595 1.00 0.72 C ATOM 1144 CD PRO A 84 -2.801 5.292 3.455 1.00 0.76 C ATOM 0 HA PRO A 84 -1.519 4.485 6.360 1.00 0.88 H new ATOM 0 HB2 PRO A 84 -2.582 2.371 5.023 1.00 0.78 H new ATOM 0 HB3 PRO A 84 -3.635 3.581 5.729 1.00 0.78 H new ATOM 0 HG2 PRO A 84 -2.877 3.200 2.827 1.00 0.72 H new ATOM 0 HG3 PRO A 84 -4.386 3.788 3.496 1.00 0.72 H new ATOM 0 HD2 PRO A 84 -2.295 5.432 2.500 1.00 0.76 H new ATOM 0 HD3 PRO A 84 -3.636 5.992 3.479 1.00 0.76 H new ATOM 1152 N TYR A 85 0.443 4.265 3.980 1.00 1.03 N ATOM 1153 CA TYR A 85 1.654 3.743 3.330 1.00 1.30 C ATOM 1154 C TYR A 85 2.934 4.187 4.056 1.00 1.45 C ATOM 1155 O TYR A 85 3.427 5.302 3.766 1.00 2.04 O ATOM 1156 CB TYR A 85 1.657 4.181 1.848 1.00 1.45 C ATOM 1157 CG TYR A 85 0.410 3.972 0.994 1.00 1.28 C ATOM 1158 CD1 TYR A 85 -0.601 3.061 1.357 1.00 2.43 C ATOM 1159 CD2 TYR A 85 0.275 4.705 -0.203 1.00 2.22 C ATOM 1160 CE1 TYR A 85 -1.719 2.866 0.523 1.00 2.82 C ATOM 1161 CE2 TYR A 85 -0.841 4.513 -1.043 1.00 2.09 C ATOM 1162 CZ TYR A 85 -1.834 3.578 -0.687 1.00 1.77 C ATOM 1163 OH TYR A 85 -2.899 3.347 -1.499 1.00 2.23 O ATOM 0 H TYR A 85 0.204 5.199 3.645 1.00 1.03 H new ATOM 0 HA TYR A 85 1.641 2.654 3.382 1.00 1.30 H new ATOM 0 HB2 TYR A 85 1.893 5.245 1.824 1.00 1.45 H new ATOM 0 HB3 TYR A 85 2.479 3.660 1.357 1.00 1.45 H new ATOM 0 HD1 TYR A 85 -0.518 2.508 2.281 1.00 2.43 H new ATOM 0 HD2 TYR A 85 1.035 5.421 -0.479 1.00 2.22 H new ATOM 0 HE1 TYR A 85 -2.491 2.168 0.812 1.00 2.82 H new ATOM 0 HE2 TYR A 85 -0.935 5.081 -1.957 1.00 2.09 H new ATOM 0 HH TYR A 85 -2.834 3.917 -2.294 1.00 2.23 H new TER 1173 TYR A 85