USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 934 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 29 TYR OH : rot -145:sc= 1.29 USER MOD Set 1.2: A 102 GLN : amide:sc= 1.05 K(o=2.2,f=-1.3) USER MOD Set 1.3: A 105 GLN : amide:sc= -0.116 X(o=2.2,f=2.3) USER MOD Set 2.1: A 97 HIS : no HD1:sc= 0.803 K(o=1.4,f=-6.5!) USER MOD Set 2.2: A 99 SER OG : rot 90:sc= 0.552 USER MOD Set 3.1: A 50 ASN :FLIP amide:sc= -0.147 F(o=-2.3,f=-1.2) USER MOD Set 3.2: A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.3: A 86 ASN : amide:sc= -1.09 K(o=-1.2,f=-2.6) USER MOD Set 4.1: A 45 GLN : amide:sc= 0.73 K(o=1.1,f=-1.8!) USER MOD Set 4.2: A 122 SER OG : rot 62:sc= 0.381 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 20:sc= 0.0385 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0979 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -173:sc= 1.27 (180deg=1.21) USER MOD Single : A 30 LYS NZ :NH3+ -140:sc= -0.0424 (180deg=-1.02) USER MOD Single : A 31 MET CE :methyl 149:sc= -1.55 (180deg=-3.58!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS :FLIP no HE2:sc= 0.079 F(o=-0.43,f=0.079) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 100:sc= 1.32 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= 0.47 K(o=0.47,f=-5.5!) USER MOD Single : A 68 GLN : amide:sc= -0.287 K(o=-0.29,f=-1.5!) USER MOD Single : A 72 THR OG1 : rot 82:sc= 1.33 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 73:sc= 1.21 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 72:sc= 1.24 USER MOD Single : A 104 SER OG : rot -170:sc= -0.0861 USER MOD Single : A 107 THR OG1 : rot -33:sc= 0.862 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0.14 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.200 6.629 -17.840 1.00 0.00 N ATOM 2 CA GLY A 1 27.087 7.219 -16.503 1.00 0.00 C ATOM 3 C GLY A 1 26.826 8.695 -16.671 1.00 0.00 C ATOM 4 O GLY A 1 27.695 9.395 -17.186 1.00 0.00 O ATOM 0 H1 GLY A 1 27.381 5.608 -17.755 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.314 6.781 -18.363 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.986 7.078 -18.352 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.277 6.749 -15.945 1.00 0.00 H new ATOM 0 HA3 GLY A 1 28.002 7.055 -15.935 1.00 0.00 H new ATOM 8 N SER A 2 25.643 9.165 -16.287 1.00 0.00 N ATOM 9 CA SER A 2 25.270 10.571 -16.337 1.00 0.00 C ATOM 10 C SER A 2 24.167 10.811 -15.306 1.00 0.00 C ATOM 11 O SER A 2 23.567 9.850 -14.811 1.00 0.00 O ATOM 12 CB SER A 2 24.810 10.925 -17.761 1.00 0.00 C ATOM 13 OG SER A 2 23.819 10.028 -18.226 1.00 0.00 O ATOM 0 H SER A 2 24.902 8.564 -15.925 1.00 0.00 H new ATOM 0 HA SER A 2 26.117 11.213 -16.096 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.417 11.942 -17.775 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.666 10.905 -18.436 1.00 0.00 H new ATOM 0 HG SER A 2 23.547 10.282 -19.133 1.00 0.00 H new ATOM 19 N SER A 3 23.849 12.078 -15.017 1.00 0.00 N ATOM 20 CA SER A 3 22.801 12.445 -14.070 1.00 0.00 C ATOM 21 C SER A 3 23.040 11.851 -12.667 1.00 0.00 C ATOM 22 O SER A 3 24.132 11.365 -12.352 1.00 0.00 O ATOM 23 CB SER A 3 21.433 12.081 -14.684 1.00 0.00 C ATOM 24 OG SER A 3 20.767 13.232 -15.168 1.00 0.00 O ATOM 0 H SER A 3 24.317 12.880 -15.439 1.00 0.00 H new ATOM 0 HA SER A 3 22.818 13.522 -13.901 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.574 11.370 -15.498 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.814 11.588 -13.934 1.00 0.00 H new ATOM 0 HG SER A 3 19.904 12.973 -15.553 1.00 0.00 H new ATOM 30 N GLY A 4 22.037 11.978 -11.800 1.00 0.00 N ATOM 31 CA GLY A 4 22.091 11.666 -10.385 1.00 0.00 C ATOM 32 C GLY A 4 21.700 12.915 -9.603 1.00 0.00 C ATOM 33 O GLY A 4 21.119 13.846 -10.174 1.00 0.00 O ATOM 0 H GLY A 4 21.120 12.320 -12.087 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.414 10.845 -10.151 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.094 11.342 -10.106 1.00 0.00 H new ATOM 37 N SER A 5 22.010 12.919 -8.308 1.00 0.00 N ATOM 38 CA SER A 5 21.672 13.955 -7.340 1.00 0.00 C ATOM 39 C SER A 5 20.163 14.027 -7.083 1.00 0.00 C ATOM 40 O SER A 5 19.388 14.525 -7.905 1.00 0.00 O ATOM 41 CB SER A 5 22.299 15.308 -7.706 1.00 0.00 C ATOM 42 OG SER A 5 23.678 15.160 -7.996 1.00 0.00 O ATOM 0 H SER A 5 22.534 12.154 -7.884 1.00 0.00 H new ATOM 0 HA SER A 5 22.119 13.673 -6.387 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.784 15.731 -8.569 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.169 16.009 -6.882 1.00 0.00 H new ATOM 0 HG SER A 5 24.059 16.033 -8.228 1.00 0.00 H new ATOM 48 N SER A 6 19.744 13.492 -5.938 1.00 0.00 N ATOM 49 CA SER A 6 18.404 13.600 -5.392 1.00 0.00 C ATOM 50 C SER A 6 18.513 13.425 -3.876 1.00 0.00 C ATOM 51 O SER A 6 19.257 12.561 -3.396 1.00 0.00 O ATOM 52 CB SER A 6 17.504 12.520 -6.016 1.00 0.00 C ATOM 53 OG SER A 6 16.232 12.476 -5.395 1.00 0.00 O ATOM 0 H SER A 6 20.365 12.946 -5.341 1.00 0.00 H new ATOM 0 HA SER A 6 17.959 14.569 -5.619 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.383 12.718 -7.081 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.987 11.547 -5.926 1.00 0.00 H new ATOM 0 HG SER A 6 15.686 11.780 -5.817 1.00 0.00 H new ATOM 59 N GLY A 7 17.728 14.198 -3.125 1.00 0.00 N ATOM 60 CA GLY A 7 17.522 14.058 -1.693 1.00 0.00 C ATOM 61 C GLY A 7 16.757 15.269 -1.183 1.00 0.00 C ATOM 62 O GLY A 7 17.018 16.383 -1.633 1.00 0.00 O ATOM 0 H GLY A 7 17.196 14.973 -3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.967 13.145 -1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.481 13.975 -1.181 1.00 0.00 H new ATOM 66 N THR A 8 15.821 15.067 -0.254 1.00 0.00 N ATOM 67 CA THR A 8 15.037 16.117 0.396 1.00 0.00 C ATOM 68 C THR A 8 14.359 15.471 1.616 1.00 0.00 C ATOM 69 O THR A 8 13.873 14.340 1.506 1.00 0.00 O ATOM 70 CB THR A 8 14.056 16.740 -0.629 1.00 0.00 C ATOM 71 OG1 THR A 8 13.351 17.814 -0.046 1.00 0.00 O ATOM 72 CG2 THR A 8 13.057 15.754 -1.249 1.00 0.00 C ATOM 0 H THR A 8 15.580 14.133 0.078 1.00 0.00 H new ATOM 0 HA THR A 8 15.646 16.949 0.750 1.00 0.00 H new ATOM 0 HB THR A 8 14.688 17.086 -1.447 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.737 18.199 -0.706 1.00 0.00 H new ATOM 0 HG21 THR A 8 12.413 16.282 -1.953 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.600 14.968 -1.774 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.447 15.311 -0.462 1.00 0.00 H new ATOM 80 N VAL A 9 14.355 16.114 2.789 1.00 0.00 N ATOM 81 CA VAL A 9 14.024 15.473 4.068 1.00 0.00 C ATOM 82 C VAL A 9 13.227 16.431 4.975 1.00 0.00 C ATOM 83 O VAL A 9 13.712 16.927 5.999 1.00 0.00 O ATOM 84 CB VAL A 9 15.293 14.871 4.720 1.00 0.00 C ATOM 85 CG1 VAL A 9 15.804 13.643 3.949 1.00 0.00 C ATOM 86 CG2 VAL A 9 16.458 15.863 4.858 1.00 0.00 C ATOM 0 H VAL A 9 14.584 17.104 2.879 1.00 0.00 H new ATOM 0 HA VAL A 9 13.358 14.628 3.893 1.00 0.00 H new ATOM 0 HB VAL A 9 14.967 14.588 5.721 1.00 0.00 H new ATOM 0 HG11 VAL A 9 16.695 13.251 4.439 1.00 0.00 H new ATOM 0 HG12 VAL A 9 15.031 12.875 3.934 1.00 0.00 H new ATOM 0 HG13 VAL A 9 16.049 13.931 2.927 1.00 0.00 H new ATOM 0 HG21 VAL A 9 17.308 15.364 5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 9 16.746 16.226 3.871 1.00 0.00 H new ATOM 0 HG23 VAL A 9 16.148 16.705 5.478 1.00 0.00 H new ATOM 96 N ALA A 10 11.965 16.655 4.608 1.00 0.00 N ATOM 97 CA ALA A 10 10.988 17.534 5.251 1.00 0.00 C ATOM 98 C ALA A 10 9.775 16.751 5.781 1.00 0.00 C ATOM 99 O ALA A 10 8.738 17.338 6.112 1.00 0.00 O ATOM 100 CB ALA A 10 10.555 18.565 4.210 1.00 0.00 C ATOM 0 H ALA A 10 11.569 16.191 3.791 1.00 0.00 H new ATOM 0 HA ALA A 10 11.439 18.019 6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.824 19.242 4.651 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.423 19.134 3.879 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.108 18.055 3.356 1.00 0.00 H new ATOM 106 N SER A 11 9.878 15.426 5.807 1.00 0.00 N ATOM 107 CA SER A 11 8.798 14.490 6.054 1.00 0.00 C ATOM 108 C SER A 11 8.292 14.640 7.497 1.00 0.00 C ATOM 109 O SER A 11 9.021 14.338 8.442 1.00 0.00 O ATOM 110 CB SER A 11 9.362 13.099 5.737 1.00 0.00 C ATOM 111 OG SER A 11 8.348 12.227 5.283 1.00 0.00 O ATOM 0 H SER A 11 10.769 14.955 5.647 1.00 0.00 H new ATOM 0 HA SER A 11 7.925 14.673 5.427 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.139 13.183 4.978 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.831 12.682 6.628 1.00 0.00 H new ATOM 0 HG SER A 11 8.736 11.349 5.087 1.00 0.00 H new ATOM 117 N ARG A 12 7.076 15.156 7.698 1.00 0.00 N ATOM 118 CA ARG A 12 6.507 15.377 9.030 1.00 0.00 C ATOM 119 C ARG A 12 4.992 15.227 9.005 1.00 0.00 C ATOM 120 O ARG A 12 4.476 14.290 9.616 1.00 0.00 O ATOM 121 CB ARG A 12 6.877 16.763 9.592 1.00 0.00 C ATOM 122 CG ARG A 12 8.310 16.908 10.114 1.00 0.00 C ATOM 123 CD ARG A 12 8.413 18.172 10.976 1.00 0.00 C ATOM 124 NE ARG A 12 9.715 18.232 11.655 1.00 0.00 N ATOM 125 CZ ARG A 12 9.922 18.342 12.969 1.00 0.00 C ATOM 126 NH1 ARG A 12 8.947 18.707 13.798 1.00 0.00 N ATOM 127 NH2 ARG A 12 11.125 18.065 13.455 1.00 0.00 N ATOM 0 H ARG A 12 6.456 15.433 6.937 1.00 0.00 H new ATOM 0 HA ARG A 12 6.935 14.618 9.685 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.718 17.506 8.810 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.189 17.001 10.403 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.586 16.031 10.700 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.009 16.966 9.279 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.282 19.056 10.352 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.611 18.181 11.714 1.00 0.00 H new ATOM 0 HE ARG A 12 10.544 18.185 11.062 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.016 18.910 13.433 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.130 18.784 14.798 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.874 17.773 12.827 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.301 18.144 14.457 1.00 0.00 H new ATOM 141 N LEU A 13 4.276 16.121 8.317 1.00 0.00 N ATOM 142 CA LEU A 13 2.865 16.426 8.549 1.00 0.00 C ATOM 143 C LEU A 13 2.537 16.564 10.046 1.00 0.00 C ATOM 144 O LEU A 13 3.438 16.818 10.849 1.00 0.00 O ATOM 145 CB LEU A 13 1.969 15.448 7.758 1.00 0.00 C ATOM 146 CG LEU A 13 1.127 16.142 6.676 1.00 0.00 C ATOM 147 CD1 LEU A 13 0.109 17.136 7.252 1.00 0.00 C ATOM 148 CD2 LEU A 13 1.995 16.791 5.592 1.00 0.00 C ATOM 0 H LEU A 13 4.679 16.670 7.557 1.00 0.00 H new ATOM 0 HA LEU A 13 2.639 17.416 8.152 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.595 14.688 7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.305 14.932 8.451 1.00 0.00 H new ATOM 0 HG LEU A 13 0.550 15.349 6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.454 17.593 6.438 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.576 16.611 7.917 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.633 17.912 7.810 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.354 17.268 4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.645 17.539 6.046 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.604 16.027 5.108 1.00 0.00 H new ATOM 160 N SER A 14 1.257 16.507 10.412 1.00 0.00 N ATOM 161 CA SER A 14 0.750 16.567 11.774 1.00 0.00 C ATOM 162 C SER A 14 -0.423 15.593 11.911 1.00 0.00 C ATOM 163 O SER A 14 -0.910 15.073 10.908 1.00 0.00 O ATOM 164 CB SER A 14 0.305 18.002 12.092 1.00 0.00 C ATOM 165 OG SER A 14 1.429 18.810 12.378 1.00 0.00 O ATOM 0 H SER A 14 0.509 16.413 9.725 1.00 0.00 H new ATOM 0 HA SER A 14 1.531 16.284 12.480 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.244 18.416 11.246 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.376 17.999 12.943 1.00 0.00 H new ATOM 0 HG SER A 14 2.235 18.391 12.011 1.00 0.00 H new ATOM 171 N ASP A 15 -0.859 15.409 13.159 1.00 0.00 N ATOM 172 CA ASP A 15 -1.863 14.482 13.678 1.00 0.00 C ATOM 173 C ASP A 15 -1.422 13.043 13.459 1.00 0.00 C ATOM 174 O ASP A 15 -1.395 12.587 12.327 1.00 0.00 O ATOM 175 CB ASP A 15 -3.287 14.807 13.192 1.00 0.00 C ATOM 176 CG ASP A 15 -4.341 14.534 14.277 1.00 0.00 C ATOM 177 OD1 ASP A 15 -4.093 14.884 15.453 1.00 0.00 O ATOM 178 OD2 ASP A 15 -5.441 14.018 13.958 1.00 0.00 O ATOM 0 H ASP A 15 -0.471 15.972 13.916 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.932 14.616 14.758 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.338 15.854 12.892 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.514 14.211 12.308 1.00 0.00 H new ATOM 183 N THR A 16 -0.983 12.340 14.505 1.00 0.00 N ATOM 184 CA THR A 16 -0.244 11.077 14.440 1.00 0.00 C ATOM 185 C THR A 16 -0.778 10.075 13.391 1.00 0.00 C ATOM 186 O THR A 16 0.008 9.437 12.683 1.00 0.00 O ATOM 187 CB THR A 16 -0.234 10.444 15.846 1.00 0.00 C ATOM 188 OG1 THR A 16 -0.114 11.403 16.887 1.00 0.00 O ATOM 189 CG2 THR A 16 0.914 9.452 16.016 1.00 0.00 C ATOM 0 H THR A 16 -1.140 12.650 15.464 1.00 0.00 H new ATOM 0 HA THR A 16 0.767 11.312 14.107 1.00 0.00 H new ATOM 0 HB THR A 16 -1.197 9.938 15.924 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.115 10.946 17.754 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.884 9.029 17.020 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.815 8.652 15.283 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.864 9.966 15.867 1.00 0.00 H new ATOM 197 N LYS A 17 -2.101 9.918 13.260 1.00 0.00 N ATOM 198 CA LYS A 17 -2.703 9.051 12.249 1.00 0.00 C ATOM 199 C LYS A 17 -2.484 9.636 10.857 1.00 0.00 C ATOM 200 O LYS A 17 -1.948 8.942 9.995 1.00 0.00 O ATOM 201 CB LYS A 17 -4.212 8.890 12.513 1.00 0.00 C ATOM 202 CG LYS A 17 -4.592 8.243 13.856 1.00 0.00 C ATOM 203 CD LYS A 17 -4.657 6.711 13.854 1.00 0.00 C ATOM 204 CE LYS A 17 -3.280 6.043 13.775 1.00 0.00 C ATOM 205 NZ LYS A 17 -3.386 4.573 13.878 1.00 0.00 N ATOM 0 H LYS A 17 -2.782 10.391 13.854 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.227 8.072 12.304 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.678 9.874 12.461 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.640 8.292 11.709 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.869 8.558 14.609 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.563 8.630 14.165 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.164 6.375 14.759 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.261 6.382 13.009 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.798 6.309 12.834 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.645 6.420 14.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.437 4.152 13.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.823 4.319 14.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.972 4.212 13.099 1.00 0.00 H new ATOM 219 N ALA A 18 -2.831 10.907 10.639 1.00 0.00 N ATOM 220 CA ALA A 18 -2.640 11.574 9.360 1.00 0.00 C ATOM 221 C ALA A 18 -1.160 11.580 9.002 1.00 0.00 C ATOM 222 O ALA A 18 -0.804 11.063 7.953 1.00 0.00 O ATOM 223 CB ALA A 18 -3.237 12.983 9.365 1.00 0.00 C ATOM 0 H ALA A 18 -3.254 11.501 11.352 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.176 11.019 8.590 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.075 13.450 8.394 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.307 12.924 9.566 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.755 13.580 10.139 1.00 0.00 H new ATOM 229 N ALA A 19 -0.287 12.082 9.873 1.00 0.00 N ATOM 230 CA ALA A 19 1.155 12.068 9.695 1.00 0.00 C ATOM 231 C ALA A 19 1.686 10.679 9.343 1.00 0.00 C ATOM 232 O ALA A 19 2.584 10.577 8.507 1.00 0.00 O ATOM 233 CB ALA A 19 1.839 12.583 10.963 1.00 0.00 C ATOM 0 H ALA A 19 -0.577 12.522 10.747 1.00 0.00 H new ATOM 0 HA ALA A 19 1.386 12.724 8.855 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.920 12.570 10.824 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.511 13.603 11.165 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.574 11.943 11.805 1.00 0.00 H new ATOM 239 N GLY A 20 1.173 9.616 9.962 1.00 0.00 N ATOM 240 CA GLY A 20 1.610 8.256 9.694 1.00 0.00 C ATOM 241 C GLY A 20 1.146 7.767 8.323 1.00 0.00 C ATOM 242 O GLY A 20 1.948 7.227 7.563 1.00 0.00 O ATOM 0 H GLY A 20 0.438 9.680 10.667 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.698 8.207 9.748 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.223 7.592 10.466 1.00 0.00 H new ATOM 246 N GLU A 21 -0.130 7.960 7.990 1.00 0.00 N ATOM 247 CA GLU A 21 -0.703 7.573 6.702 1.00 0.00 C ATOM 248 C GLU A 21 -0.037 8.367 5.577 1.00 0.00 C ATOM 249 O GLU A 21 0.443 7.776 4.613 1.00 0.00 O ATOM 250 CB GLU A 21 -2.226 7.786 6.704 1.00 0.00 C ATOM 251 CG GLU A 21 -3.017 6.553 7.166 1.00 0.00 C ATOM 252 CD GLU A 21 -2.718 6.097 8.597 1.00 0.00 C ATOM 253 OE1 GLU A 21 -1.730 5.354 8.794 1.00 0.00 O ATOM 254 OE2 GLU A 21 -3.477 6.445 9.532 1.00 0.00 O ATOM 0 H GLU A 21 -0.805 8.397 8.618 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.516 6.513 6.533 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.466 8.627 7.355 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.548 8.059 5.699 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.082 6.770 7.084 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.807 5.728 6.485 1.00 0.00 H new ATOM 261 N VAL A 22 0.067 9.690 5.725 1.00 0.00 N ATOM 262 CA VAL A 22 0.766 10.576 4.802 1.00 0.00 C ATOM 263 C VAL A 22 2.198 10.099 4.623 1.00 0.00 C ATOM 264 O VAL A 22 2.669 10.091 3.496 1.00 0.00 O ATOM 265 CB VAL A 22 0.732 12.040 5.292 1.00 0.00 C ATOM 266 CG1 VAL A 22 1.613 12.959 4.426 1.00 0.00 C ATOM 267 CG2 VAL A 22 -0.692 12.606 5.262 1.00 0.00 C ATOM 0 H VAL A 22 -0.346 10.185 6.515 1.00 0.00 H new ATOM 0 HA VAL A 22 0.256 10.545 3.839 1.00 0.00 H new ATOM 0 HB VAL A 22 1.112 12.019 6.313 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.559 13.979 4.807 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.646 12.612 4.462 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.259 12.937 3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.681 13.638 5.613 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.075 12.574 4.242 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.334 12.009 5.910 1.00 0.00 H new ATOM 277 N LYS A 23 2.904 9.691 5.686 1.00 0.00 N ATOM 278 CA LYS A 23 4.274 9.208 5.533 1.00 0.00 C ATOM 279 C LYS A 23 4.296 8.046 4.560 1.00 0.00 C ATOM 280 O LYS A 23 5.108 8.048 3.640 1.00 0.00 O ATOM 281 CB LYS A 23 4.884 8.820 6.886 1.00 0.00 C ATOM 282 CG LYS A 23 6.415 8.789 6.835 1.00 0.00 C ATOM 283 CD LYS A 23 7.057 7.480 6.350 1.00 0.00 C ATOM 284 CE LYS A 23 8.569 7.704 6.402 1.00 0.00 C ATOM 285 NZ LYS A 23 9.357 6.539 5.966 1.00 0.00 N ATOM 0 H LYS A 23 2.553 9.687 6.644 1.00 0.00 H new ATOM 0 HA LYS A 23 4.888 10.013 5.130 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.560 9.530 7.647 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.511 7.840 7.185 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.751 9.596 6.184 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.794 9.006 7.834 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.765 6.644 6.985 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.733 7.239 5.337 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.822 8.558 5.774 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.854 7.963 7.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.367 6.719 6.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.058 5.698 6.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.203 6.376 4.950 1.00 0.00 H new ATOM 299 N ALA A 24 3.425 7.063 4.770 1.00 0.00 N ATOM 300 CA ALA A 24 3.348 5.917 3.895 1.00 0.00 C ATOM 301 C ALA A 24 2.975 6.343 2.468 1.00 0.00 C ATOM 302 O ALA A 24 3.617 5.870 1.539 1.00 0.00 O ATOM 303 CB ALA A 24 2.377 4.891 4.481 1.00 0.00 C ATOM 0 H ALA A 24 2.763 7.046 5.546 1.00 0.00 H new ATOM 0 HA ALA A 24 4.326 5.442 3.824 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.319 4.026 3.820 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.730 4.575 5.462 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.389 5.340 4.579 1.00 0.00 H new ATOM 309 N LEU A 25 2.003 7.250 2.273 1.00 0.00 N ATOM 310 CA LEU A 25 1.633 7.752 0.940 1.00 0.00 C ATOM 311 C LEU A 25 2.847 8.384 0.257 1.00 0.00 C ATOM 312 O LEU A 25 3.075 8.153 -0.927 1.00 0.00 O ATOM 313 CB LEU A 25 0.547 8.852 1.015 1.00 0.00 C ATOM 314 CG LEU A 25 0.049 9.345 -0.364 1.00 0.00 C ATOM 315 CD1 LEU A 25 -1.214 8.644 -0.867 1.00 0.00 C ATOM 316 CD2 LEU A 25 -0.196 10.847 -0.296 1.00 0.00 C ATOM 0 H LEU A 25 1.454 7.654 3.032 1.00 0.00 H new ATOM 0 HA LEU A 25 1.257 6.894 0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.303 8.470 1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.944 9.702 1.571 1.00 0.00 H new ATOM 0 HG LEU A 25 0.833 9.099 -1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.493 9.050 -1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.024 7.575 -0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.027 8.806 -0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.547 11.203 -1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.949 11.059 0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.733 11.356 -0.038 1.00 0.00 H new ATOM 328 N ASP A 26 3.553 9.244 0.990 1.00 0.00 N ATOM 329 CA ASP A 26 4.655 10.080 0.531 1.00 0.00 C ATOM 330 C ASP A 26 5.783 9.205 0.051 1.00 0.00 C ATOM 331 O ASP A 26 6.288 9.375 -1.056 1.00 0.00 O ATOM 332 CB ASP A 26 5.187 10.912 1.700 1.00 0.00 C ATOM 333 CG ASP A 26 6.140 12.006 1.259 1.00 0.00 C ATOM 334 OD1 ASP A 26 7.363 11.751 1.229 1.00 0.00 O ATOM 335 OD2 ASP A 26 5.699 13.176 1.155 1.00 0.00 O ATOM 0 H ASP A 26 3.356 9.382 1.981 1.00 0.00 H new ATOM 0 HA ASP A 26 4.296 10.725 -0.271 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.348 11.360 2.232 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.697 10.255 2.405 1.00 0.00 H new ATOM 340 N ASP A 27 6.169 8.268 0.919 1.00 0.00 N ATOM 341 CA ASP A 27 7.320 7.436 0.674 1.00 0.00 C ATOM 342 C ASP A 27 6.973 6.489 -0.467 1.00 0.00 C ATOM 343 O ASP A 27 7.789 6.282 -1.367 1.00 0.00 O ATOM 344 CB ASP A 27 7.702 6.610 1.923 1.00 0.00 C ATOM 345 CG ASP A 27 9.203 6.386 2.131 1.00 0.00 C ATOM 346 OD1 ASP A 27 10.033 6.569 1.212 1.00 0.00 O ATOM 347 OD2 ASP A 27 9.577 6.032 3.275 1.00 0.00 O ATOM 0 H ASP A 27 5.690 8.075 1.799 1.00 0.00 H new ATOM 0 HA ASP A 27 8.172 8.069 0.424 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.301 7.110 2.805 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.213 5.638 1.858 1.00 0.00 H new ATOM 352 N PHE A 28 5.744 5.939 -0.437 1.00 0.00 N ATOM 353 CA PHE A 28 5.196 5.106 -1.494 1.00 0.00 C ATOM 354 C PHE A 28 5.339 5.839 -2.807 1.00 0.00 C ATOM 355 O PHE A 28 5.950 5.300 -3.726 1.00 0.00 O ATOM 356 CB PHE A 28 3.735 4.694 -1.259 1.00 0.00 C ATOM 357 CG PHE A 28 3.140 3.942 -2.437 1.00 0.00 C ATOM 358 CD1 PHE A 28 2.609 4.653 -3.529 1.00 0.00 C ATOM 359 CD2 PHE A 28 3.150 2.537 -2.479 1.00 0.00 C ATOM 360 CE1 PHE A 28 2.053 3.984 -4.623 1.00 0.00 C ATOM 361 CE2 PHE A 28 2.637 1.868 -3.603 1.00 0.00 C ATOM 362 CZ PHE A 28 2.090 2.587 -4.677 1.00 0.00 C ATOM 0 H PHE A 28 5.101 6.072 0.344 1.00 0.00 H new ATOM 0 HA PHE A 28 5.761 4.174 -1.507 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.677 4.069 -0.368 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.138 5.585 -1.063 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.631 5.733 -3.522 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.551 1.973 -1.650 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.596 4.545 -5.425 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.664 0.789 -3.641 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.701 2.065 -5.539 1.00 0.00 H new ATOM 372 N TYR A 29 4.780 7.052 -2.887 1.00 0.00 N ATOM 373 CA TYR A 29 4.796 7.817 -4.112 1.00 0.00 C ATOM 374 C TYR A 29 6.188 8.074 -4.602 1.00 0.00 C ATOM 375 O TYR A 29 6.420 7.940 -5.794 1.00 0.00 O ATOM 376 CB TYR A 29 4.147 9.179 -3.918 1.00 0.00 C ATOM 377 CG TYR A 29 2.694 9.213 -4.258 1.00 0.00 C ATOM 378 CD1 TYR A 29 2.202 8.504 -5.370 1.00 0.00 C ATOM 379 CD2 TYR A 29 1.851 10.037 -3.504 1.00 0.00 C ATOM 380 CE1 TYR A 29 0.882 8.678 -5.773 1.00 0.00 C ATOM 381 CE2 TYR A 29 0.524 10.218 -3.914 1.00 0.00 C ATOM 382 CZ TYR A 29 0.044 9.578 -5.083 1.00 0.00 C ATOM 383 OH TYR A 29 -1.190 9.870 -5.571 1.00 0.00 O ATOM 0 H TYR A 29 4.312 7.515 -2.108 1.00 0.00 H new ATOM 0 HA TYR A 29 4.247 7.216 -4.837 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.274 9.486 -2.880 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.671 9.911 -4.533 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.848 7.827 -5.909 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.220 10.528 -2.616 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.498 8.123 -6.616 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.136 10.848 -3.336 1.00 0.00 H new ATOM 0 HH TYR A 29 -1.408 10.805 -5.372 1.00 0.00 H new ATOM 393 N LYS A 30 7.091 8.466 -3.705 1.00 0.00 N ATOM 394 CA LYS A 30 8.468 8.708 -4.071 1.00 0.00 C ATOM 395 C LYS A 30 8.949 7.537 -4.917 1.00 0.00 C ATOM 396 O LYS A 30 9.304 7.749 -6.078 1.00 0.00 O ATOM 397 CB LYS A 30 9.325 8.944 -2.819 1.00 0.00 C ATOM 398 CG LYS A 30 10.280 10.096 -3.100 1.00 0.00 C ATOM 399 CD LYS A 30 11.082 10.609 -1.899 1.00 0.00 C ATOM 400 CE LYS A 30 12.025 9.574 -1.281 1.00 0.00 C ATOM 401 NZ LYS A 30 11.340 8.652 -0.351 1.00 0.00 N ATOM 0 H LYS A 30 6.884 8.621 -2.718 1.00 0.00 H new ATOM 0 HA LYS A 30 8.559 9.616 -4.666 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.691 9.177 -1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.883 8.042 -2.566 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.981 9.781 -3.873 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.706 10.927 -3.510 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.666 11.475 -2.211 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.387 10.953 -1.133 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.494 8.996 -2.078 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.824 10.090 -0.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.948 8.476 0.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.445 9.078 -0.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.145 7.753 -0.835 1.00 0.00 H new ATOM 415 N MET A 31 8.873 6.326 -4.367 1.00 0.00 N ATOM 416 CA MET A 31 9.297 5.134 -5.070 1.00 0.00 C ATOM 417 C MET A 31 8.414 4.828 -6.285 1.00 0.00 C ATOM 418 O MET A 31 8.951 4.372 -7.280 1.00 0.00 O ATOM 419 CB MET A 31 9.384 3.959 -4.092 1.00 0.00 C ATOM 420 CG MET A 31 10.381 2.920 -4.599 1.00 0.00 C ATOM 421 SD MET A 31 11.196 1.900 -3.333 1.00 0.00 S ATOM 422 CE MET A 31 9.777 1.159 -2.503 1.00 0.00 C ATOM 0 H MET A 31 8.517 6.152 -3.427 1.00 0.00 H new ATOM 0 HA MET A 31 10.293 5.310 -5.477 1.00 0.00 H new ATOM 0 HB2 MET A 31 9.690 4.317 -3.109 1.00 0.00 H new ATOM 0 HB3 MET A 31 8.401 3.502 -3.973 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.862 2.257 -5.291 1.00 0.00 H new ATOM 0 HG3 MET A 31 11.152 3.436 -5.171 1.00 0.00 H new ATOM 0 HE1 MET A 31 10.049 0.172 -2.130 1.00 0.00 H new ATOM 0 HE2 MET A 31 9.472 1.791 -1.669 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.951 1.066 -3.208 1.00 0.00 H new ATOM 432 N LEU A 32 7.108 5.122 -6.273 1.00 0.00 N ATOM 433 CA LEU A 32 6.205 4.984 -7.420 1.00 0.00 C ATOM 434 C LEU A 32 6.770 5.697 -8.643 1.00 0.00 C ATOM 435 O LEU A 32 6.841 5.115 -9.722 1.00 0.00 O ATOM 436 CB LEU A 32 4.790 5.518 -7.107 1.00 0.00 C ATOM 437 CG LEU A 32 3.756 5.139 -8.177 1.00 0.00 C ATOM 438 CD1 LEU A 32 3.282 3.701 -8.043 1.00 0.00 C ATOM 439 CD2 LEU A 32 2.510 6.012 -8.029 1.00 0.00 C ATOM 0 H LEU A 32 6.637 5.473 -5.439 1.00 0.00 H new ATOM 0 HA LEU A 32 6.122 3.918 -7.634 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.466 5.128 -6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.829 6.603 -7.016 1.00 0.00 H new ATOM 0 HG LEU A 32 4.250 5.279 -9.138 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.552 3.484 -8.823 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.132 3.027 -8.144 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.821 3.559 -7.066 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.781 5.738 -8.791 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.076 5.862 -7.041 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.784 7.060 -8.149 1.00 0.00 H new ATOM 451 N GLN A 33 7.157 6.961 -8.481 1.00 0.00 N ATOM 452 CA GLN A 33 7.659 7.766 -9.584 1.00 0.00 C ATOM 453 C GLN A 33 8.981 7.197 -10.107 1.00 0.00 C ATOM 454 O GLN A 33 9.233 7.211 -11.312 1.00 0.00 O ATOM 455 CB GLN A 33 7.868 9.214 -9.122 1.00 0.00 C ATOM 456 CG GLN A 33 6.628 9.848 -8.473 1.00 0.00 C ATOM 457 CD GLN A 33 6.598 11.372 -8.578 1.00 0.00 C ATOM 458 OE1 GLN A 33 5.664 11.974 -9.111 1.00 0.00 O ATOM 459 NE2 GLN A 33 7.606 12.046 -8.048 1.00 0.00 N ATOM 0 H GLN A 33 7.130 7.450 -7.586 1.00 0.00 H new ATOM 0 HA GLN A 33 6.925 7.745 -10.389 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.693 9.242 -8.410 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.166 9.818 -9.979 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.733 9.441 -8.944 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.592 9.563 -7.421 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.378 11.546 -7.607 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.611 13.065 -8.080 1.00 0.00 H new ATOM 468 N HIS A 34 9.846 6.749 -9.197 1.00 0.00 N ATOM 469 CA HIS A 34 11.193 6.305 -9.513 1.00 0.00 C ATOM 470 C HIS A 34 11.193 4.884 -10.092 1.00 0.00 C ATOM 471 O HIS A 34 11.724 4.651 -11.177 1.00 0.00 O ATOM 472 CB HIS A 34 12.063 6.418 -8.248 1.00 0.00 C ATOM 473 CG HIS A 34 12.425 7.845 -7.894 1.00 0.00 C ATOM 474 ND1 HIS A 34 12.087 8.545 -6.764 1.00 0.00 N flip ATOM 475 CD2 HIS A 34 13.217 8.670 -8.657 1.00 0.00 C flip ATOM 476 CE1 HIS A 34 12.680 9.811 -6.846 1.00 0.00 C flip ATOM 477 NE2 HIS A 34 13.340 9.845 -8.019 1.00 0.00 N flip ATOM 0 H HIS A 34 9.621 6.686 -8.204 1.00 0.00 H new ATOM 0 HA HIS A 34 11.616 6.945 -10.287 1.00 0.00 H new ATOM 0 HB2 HIS A 34 11.533 5.967 -7.410 1.00 0.00 H new ATOM 0 HB3 HIS A 34 12.978 5.844 -8.393 1.00 0.00 H new ATOM 0 HD1 HIS A 34 11.506 8.203 -5.998 1.00 0.00 H new ATOM 0 HD2 HIS A 34 13.664 8.416 -9.607 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.620 10.603 -6.114 1.00 0.00 H new ATOM 485 N GLU A 35 10.665 3.916 -9.355 1.00 0.00 N ATOM 486 CA GLU A 35 10.773 2.480 -9.571 1.00 0.00 C ATOM 487 C GLU A 35 9.496 1.811 -9.024 1.00 0.00 C ATOM 488 O GLU A 35 9.508 1.217 -7.940 1.00 0.00 O ATOM 489 CB GLU A 35 12.095 1.970 -8.950 1.00 0.00 C ATOM 490 CG GLU A 35 12.281 2.248 -7.441 1.00 0.00 C ATOM 491 CD GLU A 35 13.747 2.371 -7.025 1.00 0.00 C ATOM 492 OE1 GLU A 35 14.567 1.513 -7.414 1.00 0.00 O ATOM 493 OE2 GLU A 35 14.091 3.335 -6.290 1.00 0.00 O ATOM 0 H GLU A 35 10.108 4.131 -8.528 1.00 0.00 H new ATOM 0 HA GLU A 35 10.829 2.220 -10.628 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.159 0.894 -9.113 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.926 2.424 -9.489 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.758 3.169 -7.181 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.815 1.445 -6.870 1.00 0.00 H new ATOM 500 N PRO A 36 8.362 1.887 -9.751 1.00 0.00 N ATOM 501 CA PRO A 36 7.095 1.321 -9.299 1.00 0.00 C ATOM 502 C PRO A 36 7.137 -0.210 -9.232 1.00 0.00 C ATOM 503 O PRO A 36 6.233 -0.828 -8.677 1.00 0.00 O ATOM 504 CB PRO A 36 6.028 1.844 -10.262 1.00 0.00 C ATOM 505 CG PRO A 36 6.808 2.052 -11.552 1.00 0.00 C ATOM 506 CD PRO A 36 8.212 2.444 -11.086 1.00 0.00 C ATOM 0 HA PRO A 36 6.869 1.628 -8.278 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.215 1.129 -10.392 1.00 0.00 H new ATOM 0 HB3 PRO A 36 5.582 2.772 -9.905 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.828 1.144 -12.155 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.360 2.833 -12.166 1.00 0.00 H new ATOM 0 HD2 PRO A 36 8.971 2.049 -11.761 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.330 3.527 -11.072 1.00 0.00 H new ATOM 514 N ASP A 37 8.223 -0.831 -9.689 1.00 0.00 N ATOM 515 CA ASP A 37 8.623 -2.209 -9.425 1.00 0.00 C ATOM 516 C ASP A 37 8.553 -2.525 -7.919 1.00 0.00 C ATOM 517 O ASP A 37 8.333 -3.679 -7.548 1.00 0.00 O ATOM 518 CB ASP A 37 10.061 -2.454 -9.944 1.00 0.00 C ATOM 519 CG ASP A 37 10.381 -1.806 -11.301 1.00 0.00 C ATOM 520 OD1 ASP A 37 10.452 -0.555 -11.346 1.00 0.00 O ATOM 521 OD2 ASP A 37 10.566 -2.530 -12.308 1.00 0.00 O ATOM 0 H ASP A 37 8.890 -0.351 -10.294 1.00 0.00 H new ATOM 0 HA ASP A 37 7.931 -2.869 -9.949 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.767 -2.079 -9.204 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.224 -3.529 -10.024 1.00 0.00 H new ATOM 526 N ARG A 38 8.710 -1.513 -7.044 1.00 0.00 N ATOM 527 CA ARG A 38 8.576 -1.626 -5.585 1.00 0.00 C ATOM 528 C ARG A 38 7.341 -0.922 -5.019 1.00 0.00 C ATOM 529 O ARG A 38 7.165 -0.941 -3.803 1.00 0.00 O ATOM 530 CB ARG A 38 9.817 -1.074 -4.874 1.00 0.00 C ATOM 531 CG ARG A 38 11.066 -1.899 -5.196 1.00 0.00 C ATOM 532 CD ARG A 38 12.299 -1.465 -4.404 1.00 0.00 C ATOM 533 NE ARG A 38 12.085 -1.585 -2.955 1.00 0.00 N ATOM 534 CZ ARG A 38 12.981 -1.313 -2.004 1.00 0.00 C ATOM 535 NH1 ARG A 38 14.267 -1.159 -2.308 1.00 0.00 N ATOM 536 NH2 ARG A 38 12.536 -1.205 -0.760 1.00 0.00 N ATOM 0 H ARG A 38 8.941 -0.566 -7.346 1.00 0.00 H new ATOM 0 HA ARG A 38 8.465 -2.694 -5.396 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.978 -0.038 -5.173 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.649 -1.072 -3.797 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.862 -2.950 -4.990 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.281 -1.819 -6.262 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.153 -2.075 -4.697 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.545 -0.432 -4.651 1.00 0.00 H new ATOM 0 HE ARG A 38 11.167 -1.906 -2.648 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.577 -1.249 -3.276 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.943 -0.951 -1.573 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.543 -1.329 -0.561 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.186 -0.998 -0.002 1.00 0.00 H new ATOM 550 N ALA A 39 6.501 -0.299 -5.840 1.00 0.00 N ATOM 551 CA ALA A 39 5.328 0.438 -5.402 1.00 0.00 C ATOM 552 C ALA A 39 4.116 -0.155 -6.115 1.00 0.00 C ATOM 553 O ALA A 39 3.824 0.171 -7.267 1.00 0.00 O ATOM 554 CB ALA A 39 5.536 1.930 -5.677 1.00 0.00 C ATOM 0 H ALA A 39 6.623 -0.295 -6.853 1.00 0.00 H new ATOM 0 HA ALA A 39 5.159 0.349 -4.329 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.658 2.486 -5.350 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.412 2.282 -5.132 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.686 2.086 -6.745 1.00 0.00 H new ATOM 560 N PHE A 40 3.440 -1.079 -5.443 1.00 0.00 N ATOM 561 CA PHE A 40 2.358 -1.866 -6.018 1.00 0.00 C ATOM 562 C PHE A 40 1.043 -1.166 -5.709 1.00 0.00 C ATOM 563 O PHE A 40 0.826 -0.768 -4.567 1.00 0.00 O ATOM 564 CB PHE A 40 2.362 -3.252 -5.363 1.00 0.00 C ATOM 565 CG PHE A 40 3.051 -4.307 -6.194 1.00 0.00 C ATOM 566 CD1 PHE A 40 4.164 -4.007 -7.000 1.00 0.00 C ATOM 567 CD2 PHE A 40 2.536 -5.606 -6.180 1.00 0.00 C ATOM 568 CE1 PHE A 40 4.720 -5.006 -7.812 1.00 0.00 C ATOM 569 CE2 PHE A 40 3.094 -6.615 -6.981 1.00 0.00 C ATOM 570 CZ PHE A 40 4.189 -6.313 -7.797 1.00 0.00 C ATOM 0 H PHE A 40 3.632 -1.306 -4.467 1.00 0.00 H new ATOM 0 HA PHE A 40 2.483 -1.967 -7.096 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.855 -3.186 -4.393 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.333 -3.561 -5.178 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.588 -3.014 -6.994 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.695 -5.837 -5.543 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.559 -4.774 -8.452 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.682 -7.613 -6.967 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.628 -7.081 -8.416 1.00 0.00 H new ATOM 580 N TYR A 41 0.154 -1.017 -6.697 1.00 0.00 N ATOM 581 CA TYR A 41 -1.180 -0.499 -6.440 1.00 0.00 C ATOM 582 C TYR A 41 -2.269 -1.203 -7.237 1.00 0.00 C ATOM 583 O TYR A 41 -2.029 -1.808 -8.282 1.00 0.00 O ATOM 584 CB TYR A 41 -1.217 1.008 -6.660 1.00 0.00 C ATOM 585 CG TYR A 41 -1.152 1.425 -8.114 1.00 0.00 C ATOM 586 CD1 TYR A 41 0.089 1.558 -8.764 1.00 0.00 C ATOM 587 CD2 TYR A 41 -2.344 1.664 -8.819 1.00 0.00 C ATOM 588 CE1 TYR A 41 0.136 1.946 -10.115 1.00 0.00 C ATOM 589 CE2 TYR A 41 -2.305 2.079 -10.160 1.00 0.00 C ATOM 590 CZ TYR A 41 -1.061 2.221 -10.815 1.00 0.00 C ATOM 591 OH TYR A 41 -1.005 2.615 -12.117 1.00 0.00 O ATOM 0 H TYR A 41 0.339 -1.248 -7.673 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.400 -0.710 -5.394 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.132 1.406 -6.220 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.383 1.462 -6.126 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.005 1.362 -8.226 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.296 1.528 -8.327 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.088 2.034 -10.618 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.223 2.289 -10.689 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.913 2.763 -12.453 1.00 0.00 H new ATOM 601 N GLY A 42 -3.500 -1.072 -6.752 1.00 0.00 N ATOM 602 CA GLY A 42 -4.615 -1.851 -7.248 1.00 0.00 C ATOM 603 C GLY A 42 -4.541 -3.264 -6.688 1.00 0.00 C ATOM 604 O GLY A 42 -3.472 -3.877 -6.626 1.00 0.00 O ATOM 0 H GLY A 42 -3.746 -0.422 -6.005 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.556 -1.383 -6.958 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.596 -1.879 -8.337 1.00 0.00 H new ATOM 608 N LEU A 43 -5.693 -3.766 -6.247 1.00 0.00 N ATOM 609 CA LEU A 43 -5.850 -4.999 -5.487 1.00 0.00 C ATOM 610 C LEU A 43 -5.026 -6.147 -6.069 1.00 0.00 C ATOM 611 O LEU A 43 -4.273 -6.783 -5.338 1.00 0.00 O ATOM 612 CB LEU A 43 -7.347 -5.343 -5.449 1.00 0.00 C ATOM 613 CG LEU A 43 -7.661 -6.691 -4.781 1.00 0.00 C ATOM 614 CD1 LEU A 43 -7.249 -6.738 -3.305 1.00 0.00 C ATOM 615 CD2 LEU A 43 -9.161 -6.952 -4.891 1.00 0.00 C ATOM 0 H LEU A 43 -6.583 -3.300 -6.420 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.473 -4.851 -4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.878 -4.553 -4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.733 -5.356 -6.468 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.083 -7.457 -5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.496 -7.715 -2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.175 -6.569 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.782 -5.963 -2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.400 -7.906 -4.421 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.707 -6.153 -4.389 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.449 -6.983 -5.942 1.00 0.00 H new ATOM 627 N LYS A 44 -5.136 -6.378 -7.378 1.00 0.00 N ATOM 628 CA LYS A 44 -4.514 -7.475 -8.093 1.00 0.00 C ATOM 629 C LYS A 44 -3.001 -7.463 -7.874 1.00 0.00 C ATOM 630 O LYS A 44 -2.404 -8.521 -7.682 1.00 0.00 O ATOM 631 CB LYS A 44 -4.944 -7.296 -9.569 1.00 0.00 C ATOM 632 CG LYS A 44 -3.982 -7.886 -10.593 1.00 0.00 C ATOM 633 CD LYS A 44 -4.244 -7.419 -12.032 1.00 0.00 C ATOM 634 CE LYS A 44 -3.665 -6.011 -12.254 1.00 0.00 C ATOM 635 NZ LYS A 44 -3.798 -5.569 -13.655 1.00 0.00 N ATOM 0 H LYS A 44 -5.687 -5.775 -7.989 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.829 -8.457 -7.739 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.923 -7.755 -9.705 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.060 -6.231 -9.772 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.962 -7.620 -10.315 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.049 -8.973 -10.556 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.794 -8.119 -12.736 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.316 -7.413 -12.230 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.176 -5.303 -11.601 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.612 -6.004 -11.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.395 -4.616 -13.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.289 -6.229 -14.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.804 -5.550 -13.919 1.00 0.00 H new ATOM 649 N GLN A 45 -2.371 -6.287 -7.936 1.00 0.00 N ATOM 650 CA GLN A 45 -0.938 -6.186 -7.729 1.00 0.00 C ATOM 651 C GLN A 45 -0.644 -6.542 -6.284 1.00 0.00 C ATOM 652 O GLN A 45 0.138 -7.441 -6.006 1.00 0.00 O ATOM 653 CB GLN A 45 -0.413 -4.784 -8.049 1.00 0.00 C ATOM 654 CG GLN A 45 -0.674 -4.358 -9.496 1.00 0.00 C ATOM 655 CD GLN A 45 0.108 -3.094 -9.867 1.00 0.00 C ATOM 656 OE1 GLN A 45 0.864 -2.525 -9.077 1.00 0.00 O ATOM 657 NE2 GLN A 45 -0.069 -2.634 -11.089 1.00 0.00 N ATOM 0 H GLN A 45 -2.835 -5.399 -8.128 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.431 -6.874 -8.405 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.880 -4.066 -7.376 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.659 -4.752 -7.855 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.395 -5.169 -10.169 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.740 -4.180 -9.636 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.698 -3.117 -11.730 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.423 -1.794 -11.394 1.00 0.00 H new ATOM 666 N VAL A 46 -1.237 -5.828 -5.335 1.00 0.00 N ATOM 667 CA VAL A 46 -0.938 -6.007 -3.925 1.00 0.00 C ATOM 668 C VAL A 46 -1.129 -7.467 -3.478 1.00 0.00 C ATOM 669 O VAL A 46 -0.322 -7.974 -2.701 1.00 0.00 O ATOM 670 CB VAL A 46 -1.762 -5.027 -3.081 1.00 0.00 C ATOM 671 CG1 VAL A 46 -1.135 -5.001 -1.694 1.00 0.00 C ATOM 672 CG2 VAL A 46 -1.776 -3.585 -3.614 1.00 0.00 C ATOM 0 H VAL A 46 -1.937 -5.111 -5.524 1.00 0.00 H new ATOM 0 HA VAL A 46 0.116 -5.780 -3.767 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.795 -5.374 -3.096 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.691 -4.314 -1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.165 -6.001 -1.262 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.099 -4.669 -1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.381 -2.960 -2.957 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.757 -3.199 -3.645 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.199 -3.572 -4.618 1.00 0.00 H new ATOM 682 N GLU A 47 -2.129 -8.170 -4.006 1.00 0.00 N ATOM 683 CA GLU A 47 -2.328 -9.597 -3.781 1.00 0.00 C ATOM 684 C GLU A 47 -1.100 -10.423 -4.179 1.00 0.00 C ATOM 685 O GLU A 47 -0.745 -11.374 -3.482 1.00 0.00 O ATOM 686 CB GLU A 47 -3.561 -10.043 -4.575 1.00 0.00 C ATOM 687 CG GLU A 47 -4.864 -9.711 -3.848 1.00 0.00 C ATOM 688 CD GLU A 47 -6.020 -10.401 -4.566 1.00 0.00 C ATOM 689 OE1 GLU A 47 -6.471 -9.921 -5.631 1.00 0.00 O ATOM 690 OE2 GLU A 47 -6.419 -11.508 -4.131 1.00 0.00 O ATOM 0 H GLU A 47 -2.836 -7.755 -4.613 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.481 -9.767 -2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.558 -9.559 -5.551 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.509 -11.117 -4.752 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.812 -10.043 -2.811 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.021 -8.633 -3.830 1.00 0.00 H new ATOM 697 N LYS A 48 -0.435 -10.061 -5.275 1.00 0.00 N ATOM 698 CA LYS A 48 0.767 -10.710 -5.779 1.00 0.00 C ATOM 699 C LYS A 48 1.941 -10.371 -4.869 1.00 0.00 C ATOM 700 O LYS A 48 2.700 -11.252 -4.481 1.00 0.00 O ATOM 701 CB LYS A 48 0.976 -10.249 -7.235 1.00 0.00 C ATOM 702 CG LYS A 48 2.368 -10.472 -7.826 1.00 0.00 C ATOM 703 CD LYS A 48 2.583 -11.921 -8.226 1.00 0.00 C ATOM 704 CE LYS A 48 3.023 -12.806 -7.061 1.00 0.00 C ATOM 705 NZ LYS A 48 3.207 -14.201 -7.502 1.00 0.00 N ATOM 0 H LYS A 48 -0.733 -9.277 -5.856 1.00 0.00 H new ATOM 0 HA LYS A 48 0.676 -11.796 -5.778 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.251 -10.766 -7.864 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.747 -9.185 -7.293 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.500 -9.831 -8.697 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.124 -10.180 -7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.658 -12.317 -8.646 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.336 -11.966 -9.013 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.955 -12.427 -6.642 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.277 -12.766 -6.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.506 -14.784 -6.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.310 -14.567 -7.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.935 -14.237 -8.243 1.00 0.00 H new ATOM 719 N ALA A 49 2.111 -9.102 -4.517 1.00 0.00 N ATOM 720 CA ALA A 49 3.149 -8.699 -3.574 1.00 0.00 C ATOM 721 C ALA A 49 3.005 -9.385 -2.216 1.00 0.00 C ATOM 722 O ALA A 49 4.010 -9.638 -1.547 1.00 0.00 O ATOM 723 CB ALA A 49 3.121 -7.196 -3.364 1.00 0.00 C ATOM 0 H ALA A 49 1.542 -8.333 -4.871 1.00 0.00 H new ATOM 0 HA ALA A 49 4.099 -9.005 -4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.902 -6.913 -2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.292 -6.692 -4.315 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.149 -6.902 -2.968 1.00 0.00 H new ATOM 729 N ASN A 50 1.775 -9.667 -1.785 1.00 0.00 N ATOM 730 CA ASN A 50 1.542 -10.393 -0.550 1.00 0.00 C ATOM 731 C ASN A 50 2.074 -11.820 -0.677 1.00 0.00 C ATOM 732 O ASN A 50 2.789 -12.254 0.219 1.00 0.00 O ATOM 733 CB ASN A 50 0.062 -10.357 -0.169 1.00 0.00 C ATOM 734 CG ASN A 50 -0.179 -11.188 1.073 1.00 0.00 C ATOM 735 OD1 ASN A 50 -0.001 -10.601 2.237 1.00 0.00 O flip ATOM 736 ND2 ASN A 50 -0.499 -12.368 1.001 1.00 0.00 N flip ATOM 0 H ASN A 50 0.925 -9.399 -2.281 1.00 0.00 H new ATOM 0 HA ASN A 50 2.086 -9.908 0.260 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.251 -9.328 0.007 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.542 -10.737 -0.993 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.632 -12.806 0.089 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.632 -12.913 1.853 1.00 0.00 H new ATOM 743 N GLU A 51 1.834 -12.505 -1.801 1.00 0.00 N ATOM 744 CA GLU A 51 2.437 -13.815 -2.086 1.00 0.00 C ATOM 745 C GLU A 51 3.963 -13.764 -2.112 1.00 0.00 C ATOM 746 O GLU A 51 4.629 -14.769 -1.858 1.00 0.00 O ATOM 747 CB GLU A 51 1.991 -14.334 -3.459 1.00 0.00 C ATOM 748 CG GLU A 51 0.510 -14.665 -3.505 1.00 0.00 C ATOM 749 CD GLU A 51 0.145 -15.370 -4.814 1.00 0.00 C ATOM 750 OE1 GLU A 51 0.127 -14.705 -5.872 1.00 0.00 O ATOM 751 OE2 GLU A 51 -0.147 -16.593 -4.767 1.00 0.00 O ATOM 0 H GLU A 51 1.216 -12.168 -2.540 1.00 0.00 H new ATOM 0 HA GLU A 51 2.103 -14.471 -1.282 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.216 -13.584 -4.217 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.567 -15.225 -3.711 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.250 -15.302 -2.660 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.074 -13.750 -3.406 1.00 0.00 H new ATOM 758 N ALA A 52 4.516 -12.604 -2.459 1.00 0.00 N ATOM 759 CA ALA A 52 5.957 -12.379 -2.496 1.00 0.00 C ATOM 760 C ALA A 52 6.523 -12.106 -1.104 1.00 0.00 C ATOM 761 O ALA A 52 7.736 -11.988 -0.962 1.00 0.00 O ATOM 762 CB ALA A 52 6.323 -11.243 -3.465 1.00 0.00 C ATOM 0 H ALA A 52 3.969 -11.785 -2.725 1.00 0.00 H new ATOM 0 HA ALA A 52 6.413 -13.298 -2.865 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.404 -11.102 -3.468 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.987 -11.500 -4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.838 -10.321 -3.145 1.00 0.00 H new ATOM 768 N MET A 53 5.671 -11.980 -0.083 1.00 0.00 N ATOM 769 CA MET A 53 6.000 -11.576 1.282 1.00 0.00 C ATOM 770 C MET A 53 6.621 -10.171 1.346 1.00 0.00 C ATOM 771 O MET A 53 7.124 -9.754 2.386 1.00 0.00 O ATOM 772 CB MET A 53 6.904 -12.624 1.967 1.00 0.00 C ATOM 773 CG MET A 53 6.335 -14.043 1.916 1.00 0.00 C ATOM 774 SD MET A 53 5.008 -14.332 3.098 1.00 0.00 S ATOM 775 CE MET A 53 3.915 -15.349 2.073 1.00 0.00 C ATOM 0 H MET A 53 4.675 -12.169 -0.196 1.00 0.00 H new ATOM 0 HA MET A 53 5.061 -11.525 1.834 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.884 -12.616 1.489 1.00 0.00 H new ATOM 0 HB3 MET A 53 7.055 -12.338 3.008 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.964 -14.240 0.910 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.139 -14.755 2.104 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.030 -15.625 2.647 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.613 -14.784 1.191 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.442 -16.251 1.763 1.00 0.00 H new ATOM 785 N ALA A 54 6.609 -9.428 0.239 1.00 0.00 N ATOM 786 CA ALA A 54 7.465 -8.270 0.034 1.00 0.00 C ATOM 787 C ALA A 54 6.904 -6.998 0.653 1.00 0.00 C ATOM 788 O ALA A 54 7.580 -5.976 0.589 1.00 0.00 O ATOM 789 CB ALA A 54 7.628 -8.066 -1.478 1.00 0.00 C ATOM 0 H ALA A 54 5.993 -9.621 -0.550 1.00 0.00 H new ATOM 0 HA ALA A 54 8.419 -8.464 0.525 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.267 -7.202 -1.662 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.083 -8.954 -1.918 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.651 -7.897 -1.930 1.00 0.00 H new ATOM 795 N ILE A 55 5.676 -7.014 1.169 1.00 0.00 N ATOM 796 CA ILE A 55 4.985 -5.810 1.601 1.00 0.00 C ATOM 797 C ILE A 55 5.550 -5.374 2.947 1.00 0.00 C ATOM 798 O ILE A 55 5.366 -6.047 3.957 1.00 0.00 O ATOM 799 CB ILE A 55 3.459 -6.034 1.605 1.00 0.00 C ATOM 800 CG1 ILE A 55 3.009 -6.142 0.139 1.00 0.00 C ATOM 801 CG2 ILE A 55 2.731 -4.893 2.346 1.00 0.00 C ATOM 802 CD1 ILE A 55 1.550 -6.536 -0.054 1.00 0.00 C ATOM 0 H ILE A 55 5.134 -7.868 1.298 1.00 0.00 H new ATOM 0 HA ILE A 55 5.155 -4.993 0.900 1.00 0.00 H new ATOM 0 HB ILE A 55 3.206 -6.949 2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.180 -5.183 -0.350 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.638 -6.874 -0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.657 -5.078 2.333 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.079 -4.849 3.378 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.942 -3.945 1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.325 -6.587 -1.119 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.373 -7.510 0.401 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.907 -5.793 0.418 1.00 0.00 H new ATOM 814 N ASP A 56 6.199 -4.213 2.950 1.00 0.00 N ATOM 815 CA ASP A 56 6.571 -3.526 4.184 1.00 0.00 C ATOM 816 C ASP A 56 5.332 -2.870 4.785 1.00 0.00 C ATOM 817 O ASP A 56 5.026 -3.059 5.961 1.00 0.00 O ATOM 818 CB ASP A 56 7.643 -2.455 3.942 1.00 0.00 C ATOM 819 CG ASP A 56 7.764 -1.552 5.174 1.00 0.00 C ATOM 820 OD1 ASP A 56 8.172 -2.024 6.259 1.00 0.00 O ATOM 821 OD2 ASP A 56 7.354 -0.370 5.100 1.00 0.00 O ATOM 0 H ASP A 56 6.481 -3.723 2.101 1.00 0.00 H new ATOM 0 HA ASP A 56 6.985 -4.266 4.869 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.602 -2.929 3.732 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.383 -1.859 3.067 1.00 0.00 H new ATOM 826 N THR A 57 4.619 -2.080 3.984 1.00 0.00 N ATOM 827 CA THR A 57 3.502 -1.264 4.430 1.00 0.00 C ATOM 828 C THR A 57 2.428 -1.314 3.349 1.00 0.00 C ATOM 829 O THR A 57 2.739 -1.128 2.177 1.00 0.00 O ATOM 830 CB THR A 57 3.997 0.171 4.690 1.00 0.00 C ATOM 831 OG1 THR A 57 4.932 0.191 5.749 1.00 0.00 O ATOM 832 CG2 THR A 57 2.872 1.091 5.160 1.00 0.00 C ATOM 0 H THR A 57 4.810 -1.991 2.986 1.00 0.00 H new ATOM 0 HA THR A 57 3.078 -1.636 5.363 1.00 0.00 H new ATOM 0 HB THR A 57 4.419 0.507 3.743 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.841 0.220 5.383 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.268 2.092 5.331 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.094 1.134 4.397 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.450 0.705 6.088 1.00 0.00 H new ATOM 840 N LEU A 58 1.178 -1.542 3.737 1.00 0.00 N ATOM 841 CA LEU A 58 -0.015 -1.578 2.904 1.00 0.00 C ATOM 842 C LEU A 58 -0.837 -0.351 3.261 1.00 0.00 C ATOM 843 O LEU A 58 -1.060 -0.088 4.441 1.00 0.00 O ATOM 844 CB LEU A 58 -0.799 -2.857 3.239 1.00 0.00 C ATOM 845 CG LEU A 58 -2.253 -2.907 2.725 1.00 0.00 C ATOM 846 CD1 LEU A 58 -2.310 -3.337 1.265 1.00 0.00 C ATOM 847 CD2 LEU A 58 -3.046 -3.912 3.552 1.00 0.00 C ATOM 0 H LEU A 58 0.958 -1.720 4.717 1.00 0.00 H new ATOM 0 HA LEU A 58 0.225 -1.578 1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.259 -3.710 2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.812 -2.980 4.322 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.676 -1.907 2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.348 -3.362 0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.751 -2.628 0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.872 -4.329 1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.074 -3.950 3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.592 -4.899 3.459 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.040 -3.607 4.599 1.00 0.00 H new ATOM 859 N LEU A 59 -1.303 0.373 2.250 1.00 0.00 N ATOM 860 CA LEU A 59 -2.168 1.533 2.355 1.00 0.00 C ATOM 861 C LEU A 59 -3.524 1.127 1.793 1.00 0.00 C ATOM 862 O LEU A 59 -3.577 0.633 0.668 1.00 0.00 O ATOM 863 CB LEU A 59 -1.610 2.771 1.614 1.00 0.00 C ATOM 864 CG LEU A 59 -0.160 2.775 1.103 1.00 0.00 C ATOM 865 CD1 LEU A 59 0.144 4.094 0.387 1.00 0.00 C ATOM 866 CD2 LEU A 59 0.912 2.602 2.178 1.00 0.00 C ATOM 0 H LEU A 59 -1.072 0.150 1.282 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.244 1.835 3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.256 2.953 0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.720 3.625 2.282 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.110 1.909 0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.174 4.085 0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.533 4.213 -0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.008 4.924 1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.898 2.619 1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.837 3.414 2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.767 1.649 2.687 1.00 0.00 H new ATOM 878 N ILE A 60 -4.614 1.316 2.538 1.00 0.00 N ATOM 879 CA ILE A 60 -5.952 1.083 2.009 1.00 0.00 C ATOM 880 C ILE A 60 -6.904 2.141 2.552 1.00 0.00 C ATOM 881 O ILE A 60 -6.865 2.444 3.747 1.00 0.00 O ATOM 882 CB ILE A 60 -6.401 -0.365 2.315 1.00 0.00 C ATOM 883 CG1 ILE A 60 -7.627 -0.689 1.453 1.00 0.00 C ATOM 884 CG2 ILE A 60 -6.713 -0.632 3.799 1.00 0.00 C ATOM 885 CD1 ILE A 60 -8.004 -2.166 1.459 1.00 0.00 C ATOM 0 H ILE A 60 -4.593 1.630 3.508 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.955 1.180 0.923 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.561 -1.016 2.074 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.476 -0.105 1.809 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.432 -0.376 0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.020 -1.670 3.925 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.822 -0.442 4.398 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.518 0.027 4.126 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.879 -2.321 0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.171 -2.756 1.075 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.231 -2.479 2.478 1.00 0.00 H new ATOM 897 N SER A 61 -7.762 2.692 1.694 1.00 0.00 N ATOM 898 CA SER A 61 -8.833 3.562 2.142 1.00 0.00 C ATOM 899 C SER A 61 -9.816 2.749 2.982 1.00 0.00 C ATOM 900 O SER A 61 -10.160 1.615 2.630 1.00 0.00 O ATOM 901 CB SER A 61 -9.503 4.246 0.950 1.00 0.00 C ATOM 902 OG SER A 61 -10.041 5.472 1.408 1.00 0.00 O ATOM 0 H SER A 61 -7.731 2.547 0.685 1.00 0.00 H new ATOM 0 HA SER A 61 -8.433 4.359 2.769 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.781 4.419 0.152 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.289 3.613 0.537 1.00 0.00 H new ATOM 0 HG SER A 61 -10.477 5.936 0.663 1.00 0.00 H new ATOM 908 N ASP A 62 -10.291 3.330 4.085 1.00 0.00 N ATOM 909 CA ASP A 62 -11.258 2.688 4.964 1.00 0.00 C ATOM 910 C ASP A 62 -12.496 2.274 4.173 1.00 0.00 C ATOM 911 O ASP A 62 -12.970 1.159 4.328 1.00 0.00 O ATOM 912 CB ASP A 62 -11.612 3.550 6.186 1.00 0.00 C ATOM 913 CG ASP A 62 -12.582 4.703 5.898 1.00 0.00 C ATOM 914 OD1 ASP A 62 -13.803 4.444 5.897 1.00 0.00 O ATOM 915 OD2 ASP A 62 -12.152 5.873 5.790 1.00 0.00 O ATOM 0 H ASP A 62 -10.012 4.262 4.391 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.793 1.788 5.367 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.049 2.909 6.952 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.692 3.962 6.602 1.00 0.00 H new ATOM 920 N GLU A 63 -12.956 3.087 3.231 1.00 0.00 N ATOM 921 CA GLU A 63 -14.113 2.784 2.395 1.00 0.00 C ATOM 922 C GLU A 63 -13.950 1.512 1.539 1.00 0.00 C ATOM 923 O GLU A 63 -14.954 0.983 1.064 1.00 0.00 O ATOM 924 CB GLU A 63 -14.428 4.004 1.509 1.00 0.00 C ATOM 925 CG GLU A 63 -13.187 4.721 0.962 1.00 0.00 C ATOM 926 CD GLU A 63 -13.540 5.750 -0.103 1.00 0.00 C ATOM 927 OE1 GLU A 63 -14.168 6.783 0.226 1.00 0.00 O ATOM 928 OE2 GLU A 63 -13.183 5.531 -1.283 1.00 0.00 O ATOM 0 H GLU A 63 -12.530 3.990 3.022 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.947 2.574 3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.046 3.681 0.671 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -15.020 4.715 2.086 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.663 5.214 1.781 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.501 3.986 0.541 1.00 0.00 H new ATOM 935 N LEU A 64 -12.732 0.990 1.345 1.00 0.00 N ATOM 936 CA LEU A 64 -12.507 -0.322 0.732 1.00 0.00 C ATOM 937 C LEU A 64 -12.474 -1.405 1.808 1.00 0.00 C ATOM 938 O LEU A 64 -13.085 -2.463 1.655 1.00 0.00 O ATOM 939 CB LEU A 64 -11.188 -0.350 -0.048 1.00 0.00 C ATOM 940 CG LEU A 64 -11.082 0.655 -1.202 1.00 0.00 C ATOM 941 CD1 LEU A 64 -9.750 0.425 -1.911 1.00 0.00 C ATOM 942 CD2 LEU A 64 -12.222 0.547 -2.218 1.00 0.00 C ATOM 0 H LEU A 64 -11.872 1.470 1.611 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.328 -0.511 0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.370 -0.165 0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.044 -1.353 -0.449 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.149 1.655 -0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.651 1.129 -2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.932 0.575 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.714 -0.594 -2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.080 1.288 -3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.225 -0.451 -2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.174 0.727 -1.718 1.00 0.00 H new ATOM 954 N PHE A 65 -11.802 -1.128 2.929 1.00 0.00 N ATOM 955 CA PHE A 65 -11.798 -1.969 4.120 1.00 0.00 C ATOM 956 C PHE A 65 -13.218 -2.354 4.570 1.00 0.00 C ATOM 957 O PHE A 65 -13.438 -3.444 5.104 1.00 0.00 O ATOM 958 CB PHE A 65 -11.087 -1.176 5.226 1.00 0.00 C ATOM 959 CG PHE A 65 -10.659 -1.930 6.457 1.00 0.00 C ATOM 960 CD1 PHE A 65 -9.960 -3.145 6.343 1.00 0.00 C ATOM 961 CD2 PHE A 65 -10.919 -1.369 7.724 1.00 0.00 C ATOM 962 CE1 PHE A 65 -9.583 -3.841 7.505 1.00 0.00 C ATOM 963 CE2 PHE A 65 -10.503 -2.051 8.881 1.00 0.00 C ATOM 964 CZ PHE A 65 -9.855 -3.294 8.772 1.00 0.00 C ATOM 0 H PHE A 65 -11.231 -0.289 3.032 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.284 -2.905 3.902 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.202 -0.712 4.791 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.749 -0.369 5.539 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.714 -3.541 5.369 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.434 -0.423 7.805 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -9.085 -4.796 7.425 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.681 -1.619 9.855 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.565 -3.830 9.664 1.00 0.00 H new ATOM 974 N ARG A 66 -14.194 -1.470 4.357 1.00 0.00 N ATOM 975 CA ARG A 66 -15.595 -1.634 4.693 1.00 0.00 C ATOM 976 C ARG A 66 -16.456 -1.452 3.431 1.00 0.00 C ATOM 977 O ARG A 66 -17.541 -0.873 3.488 1.00 0.00 O ATOM 978 CB ARG A 66 -15.950 -0.730 5.899 1.00 0.00 C ATOM 979 CG ARG A 66 -15.032 0.448 6.243 1.00 0.00 C ATOM 980 CD ARG A 66 -15.535 1.160 7.496 1.00 0.00 C ATOM 981 NE ARG A 66 -15.209 2.587 7.482 1.00 0.00 N ATOM 982 CZ ARG A 66 -15.732 3.513 8.286 1.00 0.00 C ATOM 983 NH1 ARG A 66 -16.601 3.195 9.237 1.00 0.00 N ATOM 984 NH2 ARG A 66 -15.372 4.775 8.136 1.00 0.00 N ATOM 0 H ARG A 66 -14.008 -0.568 3.918 1.00 0.00 H new ATOM 0 HA ARG A 66 -15.815 -2.646 5.032 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.949 -0.329 5.726 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.011 -1.368 6.781 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -14.015 0.091 6.402 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.997 1.147 5.408 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.615 1.035 7.575 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -15.095 0.696 8.379 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.521 2.900 6.797 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.883 2.223 9.366 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.987 3.922 9.839 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.701 5.031 7.412 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.765 5.493 8.745 1.00 0.00 H new ATOM 998 N HIS A 67 -15.988 -1.958 2.282 1.00 0.00 N ATOM 999 CA HIS A 67 -16.771 -1.965 1.045 1.00 0.00 C ATOM 1000 C HIS A 67 -18.086 -2.724 1.274 1.00 0.00 C ATOM 1001 O HIS A 67 -18.169 -3.610 2.131 1.00 0.00 O ATOM 1002 CB HIS A 67 -15.944 -2.566 -0.104 1.00 0.00 C ATOM 1003 CG HIS A 67 -16.466 -2.294 -1.495 1.00 0.00 C ATOM 1004 ND1 HIS A 67 -17.601 -2.868 -2.073 1.00 0.00 N ATOM 1005 CD2 HIS A 67 -15.823 -1.540 -2.435 1.00 0.00 C ATOM 1006 CE1 HIS A 67 -17.613 -2.440 -3.349 1.00 0.00 C ATOM 1007 NE2 HIS A 67 -16.563 -1.634 -3.591 1.00 0.00 N ATOM 0 H HIS A 67 -15.060 -2.371 2.187 1.00 0.00 H new ATOM 0 HA HIS A 67 -17.022 -0.944 0.758 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -14.926 -2.181 -0.035 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -15.887 -3.645 0.039 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -14.911 -0.979 -2.297 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -18.363 -2.707 -4.079 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -16.353 -1.173 -4.476 1.00 0.00 H new ATOM 1015 N GLN A 68 -19.130 -2.372 0.530 1.00 0.00 N ATOM 1016 CA GLN A 68 -20.459 -2.949 0.682 1.00 0.00 C ATOM 1017 C GLN A 68 -20.495 -4.415 0.245 1.00 0.00 C ATOM 1018 O GLN A 68 -21.140 -5.234 0.900 1.00 0.00 O ATOM 1019 CB GLN A 68 -21.476 -2.087 -0.087 1.00 0.00 C ATOM 1020 CG GLN A 68 -21.262 -1.954 -1.614 1.00 0.00 C ATOM 1021 CD GLN A 68 -21.929 -3.045 -2.454 1.00 0.00 C ATOM 1022 OE1 GLN A 68 -22.812 -3.770 -2.002 1.00 0.00 O ATOM 1023 NE2 GLN A 68 -21.571 -3.162 -3.719 1.00 0.00 N ATOM 0 H GLN A 68 -19.074 -1.668 -0.206 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.730 -2.947 1.738 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -22.470 -2.501 0.082 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -21.470 -1.087 0.346 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -21.641 -0.984 -1.936 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -20.191 -1.962 -1.818 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -20.839 -2.563 -4.099 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -22.027 -3.852 -4.316 1.00 0.00 H new ATOM 1032 N ASP A 69 -19.822 -4.727 -0.863 1.00 0.00 N ATOM 1033 CA ASP A 69 -19.860 -6.020 -1.532 1.00 0.00 C ATOM 1034 C ASP A 69 -19.019 -6.993 -0.731 1.00 0.00 C ATOM 1035 O ASP A 69 -17.825 -6.757 -0.547 1.00 0.00 O ATOM 1036 CB ASP A 69 -19.230 -5.870 -2.910 1.00 0.00 C ATOM 1037 CG ASP A 69 -19.260 -7.118 -3.771 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -20.278 -7.386 -4.446 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -18.182 -7.712 -3.957 1.00 0.00 O ATOM 0 H ASP A 69 -19.213 -4.058 -1.334 1.00 0.00 H new ATOM 0 HA ASP A 69 -20.887 -6.375 -1.618 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -19.743 -5.068 -3.441 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -18.193 -5.558 -2.786 1.00 0.00 H new ATOM 1044 N VAL A 70 -19.602 -8.082 -0.247 1.00 0.00 N ATOM 1045 CA VAL A 70 -18.915 -9.021 0.625 1.00 0.00 C ATOM 1046 C VAL A 70 -17.711 -9.619 -0.084 1.00 0.00 C ATOM 1047 O VAL A 70 -16.671 -9.766 0.551 1.00 0.00 O ATOM 1048 CB VAL A 70 -19.893 -10.105 1.100 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -19.233 -11.104 2.056 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -21.059 -9.432 1.817 1.00 0.00 C ATOM 0 H VAL A 70 -20.568 -8.338 -0.450 1.00 0.00 H new ATOM 0 HA VAL A 70 -18.546 -8.494 1.505 1.00 0.00 H new ATOM 0 HB VAL A 70 -20.232 -10.658 0.224 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -19.965 -11.851 2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -18.402 -11.597 1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -18.862 -10.576 2.934 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -21.762 -10.191 2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -20.685 -8.871 2.673 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.565 -8.753 1.131 1.00 0.00 H new ATOM 1060 N ALA A 71 -17.813 -9.935 -1.379 1.00 0.00 N ATOM 1061 CA ALA A 71 -16.670 -10.423 -2.130 1.00 0.00 C ATOM 1062 C ALA A 71 -15.572 -9.357 -2.129 1.00 0.00 C ATOM 1063 O ALA A 71 -14.492 -9.607 -1.606 1.00 0.00 O ATOM 1064 CB ALA A 71 -17.089 -10.854 -3.539 1.00 0.00 C ATOM 0 H ALA A 71 -18.674 -9.859 -1.920 1.00 0.00 H new ATOM 0 HA ALA A 71 -16.263 -11.314 -1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -16.217 -11.216 -4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -17.830 -11.650 -3.471 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -17.519 -10.003 -4.067 1.00 0.00 H new ATOM 1070 N THR A 72 -15.835 -8.163 -2.659 1.00 0.00 N ATOM 1071 CA THR A 72 -14.840 -7.111 -2.839 1.00 0.00 C ATOM 1072 C THR A 72 -14.227 -6.735 -1.494 1.00 0.00 C ATOM 1073 O THR A 72 -13.004 -6.753 -1.350 1.00 0.00 O ATOM 1074 CB THR A 72 -15.541 -5.926 -3.502 1.00 0.00 C ATOM 1075 OG1 THR A 72 -16.107 -6.351 -4.731 1.00 0.00 O ATOM 1076 CG2 THR A 72 -14.701 -4.679 -3.706 1.00 0.00 C ATOM 0 H THR A 72 -16.765 -7.896 -2.981 1.00 0.00 H new ATOM 0 HA THR A 72 -14.019 -7.445 -3.474 1.00 0.00 H new ATOM 0 HB THR A 72 -16.307 -5.610 -2.794 1.00 0.00 H new ATOM 0 HG1 THR A 72 -16.968 -6.788 -4.561 1.00 0.00 H new ATOM 0 HG21 THR A 72 -15.305 -3.908 -4.184 1.00 0.00 H new ATOM 0 HG22 THR A 72 -14.347 -4.317 -2.741 1.00 0.00 H new ATOM 0 HG23 THR A 72 -13.847 -4.916 -4.340 1.00 0.00 H new ATOM 1084 N ARG A 73 -15.067 -6.446 -0.497 1.00 0.00 N ATOM 1085 CA ARG A 73 -14.618 -6.215 0.861 1.00 0.00 C ATOM 1086 C ARG A 73 -13.746 -7.362 1.350 1.00 0.00 C ATOM 1087 O ARG A 73 -12.656 -7.082 1.837 1.00 0.00 O ATOM 1088 CB ARG A 73 -15.821 -6.027 1.780 1.00 0.00 C ATOM 1089 CG ARG A 73 -15.333 -5.513 3.133 1.00 0.00 C ATOM 1090 CD ARG A 73 -16.476 -5.516 4.135 1.00 0.00 C ATOM 1091 NE ARG A 73 -16.009 -5.798 5.496 1.00 0.00 N ATOM 1092 CZ ARG A 73 -16.809 -6.259 6.463 1.00 0.00 C ATOM 1093 NH1 ARG A 73 -18.129 -6.268 6.297 1.00 0.00 N ATOM 1094 NH2 ARG A 73 -16.278 -6.716 7.588 1.00 0.00 N ATOM 0 H ARG A 73 -16.077 -6.368 -0.618 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.014 -5.307 0.876 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.525 -5.321 1.340 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -16.352 -6.971 1.904 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.518 -6.139 3.497 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.936 -4.504 3.026 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.978 -4.548 4.116 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -17.214 -6.263 3.842 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.026 -5.635 5.716 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -18.536 -5.922 5.428 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.734 -6.621 7.039 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -15.266 -6.714 7.712 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.882 -7.069 8.330 1.00 0.00 H new ATOM 1108 N SER A 74 -14.201 -8.615 1.253 1.00 0.00 N ATOM 1109 CA SER A 74 -13.441 -9.759 1.743 1.00 0.00 C ATOM 1110 C SER A 74 -12.035 -9.715 1.159 1.00 0.00 C ATOM 1111 O SER A 74 -11.088 -9.799 1.925 1.00 0.00 O ATOM 1112 CB SER A 74 -14.149 -11.087 1.449 1.00 0.00 C ATOM 1113 OG SER A 74 -13.478 -12.216 1.971 1.00 0.00 O ATOM 0 H SER A 74 -15.099 -8.859 0.836 1.00 0.00 H new ATOM 0 HA SER A 74 -13.370 -9.696 2.829 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.157 -11.051 1.863 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.251 -11.203 0.370 1.00 0.00 H new ATOM 0 HG SER A 74 -13.982 -13.027 1.750 1.00 0.00 H new ATOM 1119 N ARG A 75 -11.881 -9.485 -0.149 1.00 0.00 N ATOM 1120 CA ARG A 75 -10.570 -9.431 -0.810 1.00 0.00 C ATOM 1121 C ARG A 75 -9.658 -8.467 -0.062 1.00 0.00 C ATOM 1122 O ARG A 75 -8.535 -8.832 0.289 1.00 0.00 O ATOM 1123 CB ARG A 75 -10.680 -9.005 -2.282 1.00 0.00 C ATOM 1124 CG ARG A 75 -11.553 -9.919 -3.150 1.00 0.00 C ATOM 1125 CD ARG A 75 -11.812 -9.306 -4.526 1.00 0.00 C ATOM 1126 NE ARG A 75 -12.915 -10.001 -5.199 1.00 0.00 N ATOM 1127 CZ ARG A 75 -13.429 -9.743 -6.405 1.00 0.00 C ATOM 1128 NH1 ARG A 75 -12.934 -8.792 -7.194 1.00 0.00 N ATOM 1129 NH2 ARG A 75 -14.469 -10.450 -6.821 1.00 0.00 N ATOM 0 H ARG A 75 -12.665 -9.330 -0.783 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.150 -10.436 -0.790 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.083 -7.993 -2.324 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.679 -8.967 -2.711 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.064 -10.886 -3.268 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.503 -10.101 -2.647 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.052 -8.248 -4.420 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.910 -9.369 -5.134 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.340 -10.773 -4.685 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.138 -8.234 -6.883 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -13.350 -8.621 -8.109 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.863 -11.177 -6.224 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.875 -10.268 -7.739 1.00 0.00 H new ATOM 1143 N TYR A 76 -10.139 -7.250 0.199 1.00 0.00 N ATOM 1144 CA TYR A 76 -9.416 -6.280 0.995 1.00 0.00 C ATOM 1145 C TYR A 76 -9.086 -6.793 2.391 1.00 0.00 C ATOM 1146 O TYR A 76 -7.907 -6.840 2.723 1.00 0.00 O ATOM 1147 CB TYR A 76 -10.181 -4.957 1.032 1.00 0.00 C ATOM 1148 CG TYR A 76 -10.319 -4.334 -0.341 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -9.177 -4.134 -1.139 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -11.585 -3.995 -0.842 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -9.303 -3.610 -2.429 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -11.712 -3.453 -2.133 1.00 0.00 C ATOM 1153 CZ TYR A 76 -10.570 -3.260 -2.936 1.00 0.00 C ATOM 1154 OH TYR A 76 -10.660 -2.751 -4.194 1.00 0.00 O ATOM 0 H TYR A 76 -11.042 -6.918 -0.140 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.453 -6.107 0.514 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.172 -5.125 1.454 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.666 -4.261 1.694 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.200 -4.386 -0.754 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.464 -4.151 -0.234 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.424 -3.473 -3.041 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.687 -3.184 -2.510 1.00 0.00 H new ATOM 0 HH TYR A 76 -11.598 -2.559 -4.403 1.00 0.00 H new ATOM 1164 N VAL A 77 -10.064 -7.146 3.228 1.00 0.00 N ATOM 1165 CA VAL A 77 -9.773 -7.504 4.623 1.00 0.00 C ATOM 1166 C VAL A 77 -8.862 -8.739 4.700 1.00 0.00 C ATOM 1167 O VAL A 77 -7.946 -8.778 5.518 1.00 0.00 O ATOM 1168 CB VAL A 77 -11.053 -7.632 5.483 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -12.063 -6.529 5.140 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -11.774 -8.979 5.362 1.00 0.00 C ATOM 0 H VAL A 77 -11.050 -7.192 2.972 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.217 -6.677 5.065 1.00 0.00 H new ATOM 0 HB VAL A 77 -10.693 -7.540 6.508 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.952 -6.644 5.760 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.614 -5.554 5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.341 -6.604 4.089 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.658 -8.977 5.999 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.073 -9.140 4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.104 -9.780 5.674 1.00 0.00 H new ATOM 1180 N ARG A 78 -9.066 -9.713 3.807 1.00 0.00 N ATOM 1181 CA ARG A 78 -8.254 -10.913 3.654 1.00 0.00 C ATOM 1182 C ARG A 78 -6.812 -10.497 3.383 1.00 0.00 C ATOM 1183 O ARG A 78 -5.912 -10.905 4.112 1.00 0.00 O ATOM 1184 CB ARG A 78 -8.814 -11.790 2.513 1.00 0.00 C ATOM 1185 CG ARG A 78 -10.169 -12.443 2.849 1.00 0.00 C ATOM 1186 CD ARG A 78 -10.135 -13.953 3.071 1.00 0.00 C ATOM 1187 NE ARG A 78 -9.360 -14.366 4.256 1.00 0.00 N ATOM 1188 CZ ARG A 78 -9.010 -15.622 4.574 1.00 0.00 C ATOM 1189 NH1 ARG A 78 -9.305 -16.646 3.778 1.00 0.00 N ATOM 1190 NH2 ARG A 78 -8.369 -15.840 5.712 1.00 0.00 N ATOM 0 H ARG A 78 -9.839 -9.679 3.143 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.283 -11.508 4.567 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.926 -11.179 1.617 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.091 -12.571 2.278 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.567 -11.970 3.747 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.867 -12.228 2.039 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.157 -14.319 3.172 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.711 -14.431 2.188 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.062 -13.628 4.894 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.807 -16.485 2.905 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.029 -17.592 4.041 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.149 -15.060 6.331 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.095 -16.788 5.970 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.593 -9.646 2.379 1.00 0.00 N ATOM 1205 CA LEU A 79 -5.276 -9.128 2.027 1.00 0.00 C ATOM 1206 C LEU A 79 -4.650 -8.363 3.196 1.00 0.00 C ATOM 1207 O LEU A 79 -3.480 -8.578 3.489 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.408 -8.246 0.775 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.122 -7.487 0.401 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -2.975 -8.442 0.058 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -4.419 -6.586 -0.800 1.00 0.00 C ATOM 0 H LEU A 79 -7.340 -9.294 1.780 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.605 -9.959 1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.706 -8.871 -0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.209 -7.524 0.935 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.807 -6.895 1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.087 -7.866 -0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.759 -9.075 0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.262 -9.066 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.517 -6.041 -1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.747 -7.197 -1.641 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.205 -5.878 -0.538 1.00 0.00 H new ATOM 1223 N VAL A 80 -5.399 -7.473 3.852 1.00 0.00 N ATOM 1224 CA VAL A 80 -4.928 -6.672 4.981 1.00 0.00 C ATOM 1225 C VAL A 80 -4.365 -7.598 6.059 1.00 0.00 C ATOM 1226 O VAL A 80 -3.259 -7.392 6.561 1.00 0.00 O ATOM 1227 CB VAL A 80 -6.075 -5.768 5.498 1.00 0.00 C ATOM 1228 CG1 VAL A 80 -5.760 -5.144 6.859 1.00 0.00 C ATOM 1229 CG2 VAL A 80 -6.411 -4.663 4.483 1.00 0.00 C ATOM 0 H VAL A 80 -6.371 -7.286 3.606 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.121 -6.009 4.671 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.943 -6.416 5.622 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.596 -4.520 7.175 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.598 -5.934 7.593 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.861 -4.533 6.780 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.219 -4.044 4.873 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.530 -4.044 4.314 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.722 -5.116 3.542 1.00 0.00 H new ATOM 1239 N ASP A 81 -5.139 -8.616 6.415 1.00 0.00 N ATOM 1240 CA ASP A 81 -4.801 -9.555 7.466 1.00 0.00 C ATOM 1241 C ASP A 81 -3.620 -10.436 7.047 1.00 0.00 C ATOM 1242 O ASP A 81 -2.717 -10.685 7.844 1.00 0.00 O ATOM 1243 CB ASP A 81 -6.057 -10.368 7.759 1.00 0.00 C ATOM 1244 CG ASP A 81 -5.950 -11.123 9.069 1.00 0.00 C ATOM 1245 OD1 ASP A 81 -5.872 -10.439 10.127 1.00 0.00 O ATOM 1246 OD2 ASP A 81 -6.065 -12.367 9.048 1.00 0.00 O ATOM 0 H ASP A 81 -6.036 -8.812 5.970 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.480 -9.038 8.371 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.920 -9.703 7.793 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.230 -11.074 6.947 1.00 0.00 H new ATOM 1251 N SER A 82 -3.569 -10.828 5.771 1.00 0.00 N ATOM 1252 CA SER A 82 -2.455 -11.574 5.196 1.00 0.00 C ATOM 1253 C SER A 82 -1.161 -10.755 5.194 1.00 0.00 C ATOM 1254 O SER A 82 -0.081 -11.332 5.258 1.00 0.00 O ATOM 1255 CB SER A 82 -2.775 -12.016 3.763 1.00 0.00 C ATOM 1256 OG SER A 82 -4.017 -12.688 3.692 1.00 0.00 O ATOM 0 H SER A 82 -4.313 -10.631 5.102 1.00 0.00 H new ATOM 0 HA SER A 82 -2.307 -12.453 5.824 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.794 -11.145 3.108 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.984 -12.672 3.398 1.00 0.00 H new ATOM 0 HG SER A 82 -4.745 -12.041 3.799 1.00 0.00 H new ATOM 1262 N VAL A 83 -1.224 -9.426 5.084 1.00 0.00 N ATOM 1263 CA VAL A 83 -0.032 -8.588 5.142 1.00 0.00 C ATOM 1264 C VAL A 83 0.537 -8.604 6.557 1.00 0.00 C ATOM 1265 O VAL A 83 1.753 -8.698 6.699 1.00 0.00 O ATOM 1266 CB VAL A 83 -0.339 -7.182 4.587 1.00 0.00 C ATOM 1267 CG1 VAL A 83 0.684 -6.118 5.010 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -0.350 -7.277 3.051 1.00 0.00 C ATOM 0 H VAL A 83 -2.093 -8.909 4.954 1.00 0.00 H new ATOM 0 HA VAL A 83 0.752 -8.986 4.498 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.300 -6.868 4.993 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.405 -5.155 4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.701 -6.042 6.097 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.673 -6.401 4.650 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.565 -6.296 2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.624 -7.618 2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.117 -7.984 2.736 1.00 0.00 H new ATOM 1278 N LYS A 84 -0.306 -8.572 7.595 1.00 0.00 N ATOM 1279 CA LYS A 84 0.168 -8.712 8.970 1.00 0.00 C ATOM 1280 C LYS A 84 0.846 -10.062 9.155 1.00 0.00 C ATOM 1281 O LYS A 84 1.939 -10.120 9.715 1.00 0.00 O ATOM 1282 CB LYS A 84 -0.991 -8.558 9.957 1.00 0.00 C ATOM 1283 CG LYS A 84 -1.488 -7.111 10.022 1.00 0.00 C ATOM 1284 CD LYS A 84 -2.654 -7.016 11.005 1.00 0.00 C ATOM 1285 CE LYS A 84 -3.230 -5.599 10.996 1.00 0.00 C ATOM 1286 NZ LYS A 84 -4.544 -5.553 11.663 1.00 0.00 N ATOM 0 H LYS A 84 -1.315 -8.451 7.507 1.00 0.00 H new ATOM 0 HA LYS A 84 0.894 -7.924 9.169 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.811 -9.212 9.661 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.670 -8.878 10.948 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.679 -6.451 10.336 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.804 -6.779 9.033 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.428 -7.734 10.735 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.316 -7.274 12.009 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.541 -4.920 11.498 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.329 -5.250 9.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.910 -4.580 11.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.207 -6.183 11.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.443 -5.863 12.650 1.00 0.00 H new ATOM 1300 N GLU A 85 0.221 -11.137 8.679 1.00 0.00 N ATOM 1301 CA GLU A 85 0.790 -12.480 8.742 1.00 0.00 C ATOM 1302 C GLU A 85 2.129 -12.573 8.017 1.00 0.00 C ATOM 1303 O GLU A 85 3.005 -13.346 8.408 1.00 0.00 O ATOM 1304 CB GLU A 85 -0.197 -13.469 8.128 1.00 0.00 C ATOM 1305 CG GLU A 85 -1.314 -13.811 9.110 1.00 0.00 C ATOM 1306 CD GLU A 85 -0.822 -14.834 10.134 1.00 0.00 C ATOM 1307 OE1 GLU A 85 -0.811 -16.046 9.803 1.00 0.00 O ATOM 1308 OE2 GLU A 85 -0.318 -14.426 11.210 1.00 0.00 O ATOM 0 H GLU A 85 -0.698 -11.100 8.237 1.00 0.00 H new ATOM 0 HA GLU A 85 0.971 -12.720 9.790 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.624 -13.045 7.220 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.328 -14.379 7.838 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.649 -12.908 9.620 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.173 -14.210 8.570 1.00 0.00 H new ATOM 1315 N ASN A 86 2.302 -11.778 6.968 1.00 0.00 N ATOM 1316 CA ASN A 86 3.535 -11.681 6.188 1.00 0.00 C ATOM 1317 C ASN A 86 4.448 -10.574 6.730 1.00 0.00 C ATOM 1318 O ASN A 86 5.253 -10.017 5.984 1.00 0.00 O ATOM 1319 CB ASN A 86 3.202 -11.536 4.695 1.00 0.00 C ATOM 1320 CG ASN A 86 2.426 -12.736 4.154 1.00 0.00 C ATOM 1321 OD1 ASN A 86 2.144 -13.713 4.844 1.00 0.00 O ATOM 1322 ND2 ASN A 86 2.061 -12.709 2.890 1.00 0.00 N ATOM 0 H ASN A 86 1.565 -11.162 6.624 1.00 0.00 H new ATOM 0 HA ASN A 86 4.107 -12.603 6.292 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.617 -10.629 4.542 1.00 0.00 H new ATOM 0 HB3 ASN A 86 4.126 -11.419 4.129 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.548 -13.495 2.490 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.291 -11.902 2.310 1.00 0.00 H new ATOM 1329 N ALA A 87 4.325 -10.266 8.026 1.00 0.00 N ATOM 1330 CA ALA A 87 5.133 -9.356 8.832 1.00 0.00 C ATOM 1331 C ALA A 87 5.081 -7.882 8.405 1.00 0.00 C ATOM 1332 O ALA A 87 5.798 -7.059 8.983 1.00 0.00 O ATOM 1333 CB ALA A 87 6.571 -9.880 8.956 1.00 0.00 C ATOM 0 H ALA A 87 3.586 -10.690 8.586 1.00 0.00 H new ATOM 0 HA ALA A 87 4.673 -9.350 9.820 1.00 0.00 H new ATOM 0 HB1 ALA A 87 7.159 -9.189 9.560 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.561 -10.860 9.432 1.00 0.00 H new ATOM 0 HB3 ALA A 87 7.015 -9.963 7.964 1.00 0.00 H new ATOM 1339 N GLY A 88 4.228 -7.512 7.452 1.00 0.00 N ATOM 1340 CA GLY A 88 4.050 -6.140 7.009 1.00 0.00 C ATOM 1341 C GLY A 88 3.174 -5.336 7.971 1.00 0.00 C ATOM 1342 O GLY A 88 2.744 -5.821 9.023 1.00 0.00 O ATOM 0 H GLY A 88 3.631 -8.176 6.959 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.024 -5.659 6.918 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.598 -6.135 6.017 1.00 0.00 H new ATOM 1346 N THR A 89 2.899 -4.091 7.593 1.00 0.00 N ATOM 1347 CA THR A 89 2.132 -3.116 8.357 1.00 0.00 C ATOM 1348 C THR A 89 0.951 -2.619 7.529 1.00 0.00 C ATOM 1349 O THR A 89 0.974 -2.668 6.300 1.00 0.00 O ATOM 1350 CB THR A 89 3.110 -2.005 8.778 1.00 0.00 C ATOM 1351 OG1 THR A 89 3.858 -2.494 9.870 1.00 0.00 O ATOM 1352 CG2 THR A 89 2.497 -0.659 9.177 1.00 0.00 C ATOM 0 H THR A 89 3.222 -3.718 6.700 1.00 0.00 H new ATOM 0 HA THR A 89 1.692 -3.545 9.257 1.00 0.00 H new ATOM 0 HB THR A 89 3.701 -1.783 7.889 1.00 0.00 H new ATOM 0 HG1 THR A 89 4.495 -1.809 10.163 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.291 0.035 9.451 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.934 -0.252 8.337 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.829 -0.801 10.027 1.00 0.00 H new ATOM 1360 N VAL A 90 -0.081 -2.105 8.201 1.00 0.00 N ATOM 1361 CA VAL A 90 -1.331 -1.681 7.597 1.00 0.00 C ATOM 1362 C VAL A 90 -1.556 -0.210 7.946 1.00 0.00 C ATOM 1363 O VAL A 90 -1.327 0.228 9.076 1.00 0.00 O ATOM 1364 CB VAL A 90 -2.452 -2.615 8.097 1.00 0.00 C ATOM 1365 CG1 VAL A 90 -3.844 -2.143 7.657 1.00 0.00 C ATOM 1366 CG2 VAL A 90 -2.206 -4.058 7.623 1.00 0.00 C ATOM 0 H VAL A 90 -0.062 -1.971 9.212 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.317 -1.754 6.510 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.428 -2.586 9.186 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.598 -2.834 8.034 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -4.033 -1.146 8.056 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.891 -2.113 6.568 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.007 -4.702 7.986 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.184 -4.084 6.534 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.252 -4.412 8.013 1.00 0.00 H new ATOM 1376 N ARG A 91 -2.043 0.559 6.976 1.00 0.00 N ATOM 1377 CA ARG A 91 -2.310 1.988 7.093 1.00 0.00 C ATOM 1378 C ARG A 91 -3.731 2.202 6.600 1.00 0.00 C ATOM 1379 O ARG A 91 -4.043 1.834 5.467 1.00 0.00 O ATOM 1380 CB ARG A 91 -1.292 2.765 6.238 1.00 0.00 C ATOM 1381 CG ARG A 91 0.171 2.584 6.667 1.00 0.00 C ATOM 1382 CD ARG A 91 0.499 3.478 7.855 1.00 0.00 C ATOM 1383 NE ARG A 91 1.865 3.286 8.360 1.00 0.00 N ATOM 1384 CZ ARG A 91 2.236 2.700 9.501 1.00 0.00 C ATOM 1385 NH1 ARG A 91 1.370 2.154 10.346 1.00 0.00 N ATOM 1386 NH2 ARG A 91 3.528 2.663 9.793 1.00 0.00 N ATOM 0 H ARG A 91 -2.271 0.189 6.053 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.213 2.345 8.118 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.394 2.451 5.199 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.540 3.826 6.276 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.352 1.542 6.929 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.832 2.822 5.833 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.368 4.520 7.565 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.210 3.280 8.658 1.00 0.00 H new ATOM 0 HE ARG A 91 2.618 3.642 7.771 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.372 2.171 10.135 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.702 1.718 11.206 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.207 3.075 9.154 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.843 2.222 10.657 1.00 0.00 H new ATOM 1400 N ILE A 92 -4.591 2.752 7.455 1.00 0.00 N ATOM 1401 CA ILE A 92 -6.012 2.919 7.182 1.00 0.00 C ATOM 1402 C ILE A 92 -6.196 4.378 6.778 1.00 0.00 C ATOM 1403 O ILE A 92 -6.060 5.270 7.617 1.00 0.00 O ATOM 1404 CB ILE A 92 -6.866 2.524 8.413 1.00 0.00 C ATOM 1405 CG1 ILE A 92 -6.521 1.134 8.998 1.00 0.00 C ATOM 1406 CG2 ILE A 92 -8.364 2.603 8.068 1.00 0.00 C ATOM 1407 CD1 ILE A 92 -6.720 -0.044 8.045 1.00 0.00 C ATOM 0 H ILE A 92 -4.312 3.099 8.373 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.351 2.263 6.381 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.624 3.245 9.193 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.481 1.144 9.325 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.133 0.970 9.885 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.954 2.323 8.941 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.616 3.621 7.771 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.585 1.921 7.247 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.451 -0.971 8.551 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.764 -0.090 7.736 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.087 0.087 7.167 1.00 0.00 H new ATOM 1419 N PHE A 93 -6.480 4.623 5.504 1.00 0.00 N ATOM 1420 CA PHE A 93 -6.627 5.958 4.944 1.00 0.00 C ATOM 1421 C PHE A 93 -8.086 6.385 5.074 1.00 0.00 C ATOM 1422 O PHE A 93 -8.960 5.543 5.297 1.00 0.00 O ATOM 1423 CB PHE A 93 -6.187 5.944 3.475 1.00 0.00 C ATOM 1424 CG PHE A 93 -4.709 6.167 3.253 1.00 0.00 C ATOM 1425 CD1 PHE A 93 -3.736 5.380 3.901 1.00 0.00 C ATOM 1426 CD2 PHE A 93 -4.308 7.152 2.339 1.00 0.00 C ATOM 1427 CE1 PHE A 93 -2.371 5.606 3.653 1.00 0.00 C ATOM 1428 CE2 PHE A 93 -2.948 7.356 2.078 1.00 0.00 C ATOM 1429 CZ PHE A 93 -1.976 6.586 2.730 1.00 0.00 C ATOM 0 H PHE A 93 -6.617 3.881 4.818 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.001 6.670 5.481 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.465 4.986 3.036 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.741 6.714 2.937 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.039 4.604 4.588 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -5.050 7.754 1.836 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.625 5.024 4.174 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.646 8.112 1.369 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.928 6.746 2.523 1.00 0.00 H new ATOM 1439 N SER A 94 -8.328 7.695 5.070 1.00 0.00 N ATOM 1440 CA SER A 94 -9.637 8.269 5.353 1.00 0.00 C ATOM 1441 C SER A 94 -10.352 8.771 4.100 1.00 0.00 C ATOM 1442 O SER A 94 -9.744 9.479 3.298 1.00 0.00 O ATOM 1443 CB SER A 94 -9.492 9.356 6.423 1.00 0.00 C ATOM 1444 OG SER A 94 -8.678 8.880 7.495 1.00 0.00 O ATOM 0 H SER A 94 -7.612 8.392 4.868 1.00 0.00 H new ATOM 0 HA SER A 94 -10.281 7.479 5.741 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.047 10.250 5.987 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.474 9.640 6.800 1.00 0.00 H new ATOM 0 HG SER A 94 -8.589 9.581 8.174 1.00 0.00 H new ATOM 1450 N SER A 95 -11.663 8.528 4.027 1.00 0.00 N ATOM 1451 CA SER A 95 -12.621 9.058 3.049 1.00 0.00 C ATOM 1452 C SER A 95 -12.776 10.604 3.084 1.00 0.00 C ATOM 1453 O SER A 95 -13.690 11.143 2.459 1.00 0.00 O ATOM 1454 CB SER A 95 -13.954 8.325 3.308 1.00 0.00 C ATOM 1455 OG SER A 95 -14.843 8.299 2.203 1.00 0.00 O ATOM 0 H SER A 95 -12.118 7.910 4.699 1.00 0.00 H new ATOM 0 HA SER A 95 -12.255 8.871 2.040 1.00 0.00 H new ATOM 0 HB2 SER A 95 -13.736 7.299 3.606 1.00 0.00 H new ATOM 0 HB3 SER A 95 -14.457 8.801 4.150 1.00 0.00 H new ATOM 0 HG SER A 95 -14.499 7.685 1.521 1.00 0.00 H new ATOM 1461 N LEU A 96 -11.923 11.333 3.817 1.00 0.00 N ATOM 1462 CA LEU A 96 -11.916 12.794 3.942 1.00 0.00 C ATOM 1463 C LEU A 96 -10.547 13.425 3.692 1.00 0.00 C ATOM 1464 O LEU A 96 -10.471 14.651 3.591 1.00 0.00 O ATOM 1465 CB LEU A 96 -12.349 13.173 5.369 1.00 0.00 C ATOM 1466 CG LEU A 96 -13.864 13.095 5.567 1.00 0.00 C ATOM 1467 CD1 LEU A 96 -14.160 13.048 7.065 1.00 0.00 C ATOM 1468 CD2 LEU A 96 -14.567 14.315 4.954 1.00 0.00 C ATOM 0 H LEU A 96 -11.183 10.896 4.366 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.599 13.172 3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.859 12.509 6.081 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.009 14.185 5.591 1.00 0.00 H new ATOM 0 HG LEU A 96 -14.236 12.199 5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.237 12.992 7.221 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.684 12.171 7.503 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -13.770 13.948 7.541 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -15.643 14.232 5.110 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -14.200 15.224 5.431 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.358 14.356 3.885 1.00 0.00 H new ATOM 1480 N HIS A 97 -9.458 12.653 3.681 1.00 0.00 N ATOM 1481 CA HIS A 97 -8.124 13.213 3.557 1.00 0.00 C ATOM 1482 C HIS A 97 -7.774 13.355 2.077 1.00 0.00 C ATOM 1483 O HIS A 97 -8.097 12.464 1.290 1.00 0.00 O ATOM 1484 CB HIS A 97 -7.127 12.284 4.269 1.00 0.00 C ATOM 1485 CG HIS A 97 -5.959 13.023 4.842 1.00 0.00 C ATOM 1486 ND1 HIS A 97 -4.676 13.076 4.352 1.00 0.00 N ATOM 1487 CD2 HIS A 97 -5.982 13.692 6.031 1.00 0.00 C ATOM 1488 CE1 HIS A 97 -3.937 13.765 5.222 1.00 0.00 C ATOM 1489 NE2 HIS A 97 -4.680 14.151 6.274 1.00 0.00 N ATOM 0 H HIS A 97 -9.481 11.636 3.757 1.00 0.00 H new ATOM 0 HA HIS A 97 -8.079 14.199 4.019 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.641 11.749 5.068 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.767 11.535 3.564 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.843 13.840 6.666 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -2.886 13.983 5.099 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.359 14.675 7.088 1.00 0.00 H new ATOM 1497 N VAL A 98 -6.972 14.361 1.710 1.00 0.00 N ATOM 1498 CA VAL A 98 -6.392 14.446 0.370 1.00 0.00 C ATOM 1499 C VAL A 98 -5.586 13.187 0.066 1.00 0.00 C ATOM 1500 O VAL A 98 -5.543 12.737 -1.067 1.00 0.00 O ATOM 1501 CB VAL A 98 -5.539 15.723 0.205 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -4.171 15.653 0.903 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -5.296 16.013 -1.275 1.00 0.00 C ATOM 0 H VAL A 98 -6.711 15.130 2.327 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.204 14.513 -0.354 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.116 16.517 0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.632 16.586 0.741 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.316 15.498 1.972 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.594 14.825 0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.694 16.916 -1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.769 15.173 -1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.252 16.157 -1.779 1.00 0.00 H new ATOM 1513 N SER A 99 -4.964 12.585 1.080 1.00 0.00 N ATOM 1514 CA SER A 99 -4.213 11.351 0.919 1.00 0.00 C ATOM 1515 C SER A 99 -5.132 10.186 0.526 1.00 0.00 C ATOM 1516 O SER A 99 -4.672 9.286 -0.171 1.00 0.00 O ATOM 1517 CB SER A 99 -3.397 11.086 2.186 1.00 0.00 C ATOM 1518 OG SER A 99 -2.647 12.249 2.484 1.00 0.00 O ATOM 0 H SER A 99 -4.970 12.944 2.035 1.00 0.00 H new ATOM 0 HA SER A 99 -3.509 11.452 0.093 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.057 10.837 3.017 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.733 10.234 2.039 1.00 0.00 H new ATOM 0 HG SER A 99 -3.173 12.838 3.064 1.00 0.00 H new ATOM 1524 N GLY A 100 -6.414 10.224 0.902 1.00 0.00 N ATOM 1525 CA GLY A 100 -7.438 9.329 0.392 1.00 0.00 C ATOM 1526 C GLY A 100 -7.664 9.615 -1.086 1.00 0.00 C ATOM 1527 O GLY A 100 -7.523 8.703 -1.894 1.00 0.00 O ATOM 0 H GLY A 100 -6.769 10.895 1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.133 8.292 0.531 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.366 9.466 0.947 1.00 0.00 H new ATOM 1531 N GLU A 101 -7.944 10.873 -1.454 1.00 0.00 N ATOM 1532 CA GLU A 101 -8.160 11.257 -2.855 1.00 0.00 C ATOM 1533 C GLU A 101 -6.950 10.931 -3.738 1.00 0.00 C ATOM 1534 O GLU A 101 -7.082 10.667 -4.934 1.00 0.00 O ATOM 1535 CB GLU A 101 -8.476 12.752 -3.006 1.00 0.00 C ATOM 1536 CG GLU A 101 -9.641 13.255 -2.146 1.00 0.00 C ATOM 1537 CD GLU A 101 -10.265 14.506 -2.771 1.00 0.00 C ATOM 1538 OE1 GLU A 101 -9.565 15.541 -2.900 1.00 0.00 O ATOM 1539 OE2 GLU A 101 -11.451 14.468 -3.183 1.00 0.00 O ATOM 0 H GLU A 101 -8.027 11.647 -0.795 1.00 0.00 H new ATOM 0 HA GLU A 101 -9.018 10.670 -3.183 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.583 13.325 -2.754 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.701 12.957 -4.053 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.395 12.474 -2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.288 13.481 -1.140 1.00 0.00 H new ATOM 1546 N GLN A 102 -5.751 10.986 -3.166 1.00 0.00 N ATOM 1547 CA GLN A 102 -4.522 10.626 -3.833 1.00 0.00 C ATOM 1548 C GLN A 102 -4.492 9.127 -4.077 1.00 0.00 C ATOM 1549 O GLN A 102 -4.224 8.718 -5.204 1.00 0.00 O ATOM 1550 CB GLN A 102 -3.323 11.112 -3.028 1.00 0.00 C ATOM 1551 CG GLN A 102 -3.150 12.620 -3.259 1.00 0.00 C ATOM 1552 CD GLN A 102 -1.773 12.950 -3.810 1.00 0.00 C ATOM 1553 OE1 GLN A 102 -1.404 12.482 -4.886 1.00 0.00 O ATOM 1554 NE2 GLN A 102 -0.970 13.687 -3.068 1.00 0.00 N ATOM 0 H GLN A 102 -5.613 11.291 -2.202 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.470 11.116 -4.805 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -3.472 10.907 -1.968 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.423 10.578 -3.332 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.913 12.972 -3.953 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.303 13.152 -2.320 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.300 14.064 -2.179 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.019 13.880 -3.383 1.00 0.00 H new ATOM 1563 N LEU A 103 -4.811 8.321 -3.057 1.00 0.00 N ATOM 1564 CA LEU A 103 -4.920 6.876 -3.194 1.00 0.00 C ATOM 1565 C LEU A 103 -5.931 6.494 -4.270 1.00 0.00 C ATOM 1566 O LEU A 103 -5.748 5.481 -4.934 1.00 0.00 O ATOM 1567 CB LEU A 103 -5.314 6.227 -1.849 1.00 0.00 C ATOM 1568 CG LEU A 103 -4.686 4.846 -1.602 1.00 0.00 C ATOM 1569 CD1 LEU A 103 -3.167 4.838 -1.679 1.00 0.00 C ATOM 1570 CD2 LEU A 103 -5.089 4.332 -0.213 1.00 0.00 C ATOM 0 H LEU A 103 -5.000 8.660 -2.114 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.941 6.502 -3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.023 6.895 -1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.399 6.131 -1.810 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.062 4.205 -2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.799 3.829 -1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.851 5.163 -2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.761 5.516 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.641 3.353 -0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.738 5.028 0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.174 4.249 -0.156 1.00 0.00 H new ATOM 1582 N SER A 104 -6.981 7.287 -4.471 1.00 0.00 N ATOM 1583 CA SER A 104 -8.035 7.038 -5.454 1.00 0.00 C ATOM 1584 C SER A 104 -7.502 6.928 -6.885 1.00 0.00 C ATOM 1585 O SER A 104 -8.007 6.118 -7.665 1.00 0.00 O ATOM 1586 CB SER A 104 -9.054 8.170 -5.397 1.00 0.00 C ATOM 1587 OG SER A 104 -9.482 8.409 -4.071 1.00 0.00 O ATOM 0 H SER A 104 -7.127 8.145 -3.940 1.00 0.00 H new ATOM 0 HA SER A 104 -8.490 6.081 -5.198 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.615 9.079 -5.809 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.913 7.920 -6.019 1.00 0.00 H new ATOM 0 HG SER A 104 -10.244 9.025 -4.079 1.00 0.00 H new ATOM 1593 N GLN A 105 -6.452 7.688 -7.209 1.00 0.00 N ATOM 1594 CA GLN A 105 -5.726 7.637 -8.481 1.00 0.00 C ATOM 1595 C GLN A 105 -4.990 6.302 -8.672 1.00 0.00 C ATOM 1596 O GLN A 105 -4.405 6.043 -9.722 1.00 0.00 O ATOM 1597 CB GLN A 105 -4.706 8.779 -8.488 1.00 0.00 C ATOM 1598 CG GLN A 105 -5.341 10.176 -8.442 1.00 0.00 C ATOM 1599 CD GLN A 105 -4.267 11.250 -8.339 1.00 0.00 C ATOM 1600 OE1 GLN A 105 -4.118 12.101 -9.215 1.00 0.00 O ATOM 1601 NE2 GLN A 105 -3.462 11.222 -7.289 1.00 0.00 N ATOM 0 H GLN A 105 -6.070 8.383 -6.567 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.443 7.734 -9.296 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -4.040 8.664 -7.633 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -4.091 8.699 -9.384 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -5.941 10.338 -9.338 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -6.016 10.246 -7.589 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -3.591 10.514 -6.566 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -2.713 11.909 -7.202 1.00 0.00 H new ATOM 1610 N LEU A 106 -4.993 5.466 -7.637 1.00 0.00 N ATOM 1611 CA LEU A 106 -4.341 4.180 -7.515 1.00 0.00 C ATOM 1612 C LEU A 106 -5.383 3.156 -7.017 1.00 0.00 C ATOM 1613 O LEU A 106 -5.032 2.137 -6.425 1.00 0.00 O ATOM 1614 CB LEU A 106 -3.140 4.323 -6.558 1.00 0.00 C ATOM 1615 CG LEU A 106 -2.106 5.419 -6.901 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -1.201 5.619 -5.691 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -1.232 5.068 -8.111 1.00 0.00 C ATOM 0 H LEU A 106 -5.503 5.702 -6.785 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.955 3.826 -8.471 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.524 4.519 -5.557 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.621 3.366 -6.518 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.660 6.323 -7.155 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.463 6.390 -5.912 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.801 5.927 -4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.691 4.684 -5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.528 5.879 -8.299 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.682 4.149 -7.908 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -1.864 4.927 -8.988 1.00 0.00 H new ATOM 1629 N THR A 107 -6.680 3.424 -7.235 1.00 0.00 N ATOM 1630 CA THR A 107 -7.885 2.655 -6.876 1.00 0.00 C ATOM 1631 C THR A 107 -8.291 2.776 -5.395 1.00 0.00 C ATOM 1632 O THR A 107 -9.403 2.394 -5.017 1.00 0.00 O ATOM 1633 CB THR A 107 -7.807 1.178 -7.325 1.00 0.00 C ATOM 1634 OG1 THR A 107 -7.009 0.406 -6.457 1.00 0.00 O ATOM 1635 CG2 THR A 107 -7.247 0.953 -8.733 1.00 0.00 C ATOM 0 H THR A 107 -6.940 4.282 -7.722 1.00 0.00 H new ATOM 0 HA THR A 107 -8.687 3.127 -7.443 1.00 0.00 H new ATOM 0 HB THR A 107 -8.852 0.869 -7.310 1.00 0.00 H new ATOM 0 HG1 THR A 107 -6.286 0.961 -6.097 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.233 -0.115 -8.953 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.876 1.465 -9.461 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.233 1.348 -8.788 1.00 0.00 H new ATOM 1643 N GLY A 108 -7.417 3.328 -4.557 1.00 0.00 N ATOM 1644 CA GLY A 108 -7.559 3.475 -3.117 1.00 0.00 C ATOM 1645 C GLY A 108 -6.913 2.334 -2.330 1.00 0.00 C ATOM 1646 O GLY A 108 -7.193 2.198 -1.137 1.00 0.00 O ATOM 0 H GLY A 108 -6.532 3.709 -4.892 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -7.112 4.420 -2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.618 3.527 -2.866 1.00 0.00 H new ATOM 1650 N VAL A 109 -6.043 1.530 -2.952 1.00 0.00 N ATOM 1651 CA VAL A 109 -5.243 0.528 -2.258 1.00 0.00 C ATOM 1652 C VAL A 109 -3.865 0.444 -2.922 1.00 0.00 C ATOM 1653 O VAL A 109 -3.768 0.383 -4.153 1.00 0.00 O ATOM 1654 CB VAL A 109 -6.009 -0.812 -2.213 1.00 0.00 C ATOM 1655 CG1 VAL A 109 -6.240 -1.428 -3.599 1.00 0.00 C ATOM 1656 CG2 VAL A 109 -5.320 -1.839 -1.307 1.00 0.00 C ATOM 0 H VAL A 109 -5.877 1.561 -3.958 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.071 0.806 -1.218 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.984 -0.562 -1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.783 -2.367 -3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.822 -0.739 -4.211 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.279 -1.616 -4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.894 -2.766 -1.306 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.314 -2.035 -1.679 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.262 -1.447 -0.292 1.00 0.00 H new ATOM 1666 N ALA A 110 -2.802 0.439 -2.120 1.00 0.00 N ATOM 1667 CA ALA A 110 -1.424 0.326 -2.573 1.00 0.00 C ATOM 1668 C ALA A 110 -0.557 -0.285 -1.469 1.00 0.00 C ATOM 1669 O ALA A 110 -1.049 -0.509 -0.370 1.00 0.00 O ATOM 1670 CB ALA A 110 -0.930 1.715 -2.978 1.00 0.00 C ATOM 0 H ALA A 110 -2.882 0.516 -1.106 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.359 -0.335 -3.437 1.00 0.00 H new ATOM 0 HB1 ALA A 110 0.103 1.648 -3.320 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -1.555 2.103 -3.782 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -0.985 2.385 -2.120 1.00 0.00 H new ATOM 1676 N ALA A 111 0.722 -0.563 -1.724 1.00 0.00 N ATOM 1677 CA ALA A 111 1.660 -1.061 -0.730 1.00 0.00 C ATOM 1678 C ALA A 111 3.106 -0.865 -1.196 1.00 0.00 C ATOM 1679 O ALA A 111 3.414 -1.088 -2.368 1.00 0.00 O ATOM 1680 CB ALA A 111 1.429 -2.559 -0.492 1.00 0.00 C ATOM 0 H ALA A 111 1.139 -0.444 -2.647 1.00 0.00 H new ATOM 0 HA ALA A 111 1.496 -0.501 0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.136 -2.922 0.254 1.00 0.00 H new ATOM 0 HB2 ALA A 111 0.411 -2.718 -0.135 1.00 0.00 H new ATOM 0 HB3 ALA A 111 1.575 -3.102 -1.425 1.00 0.00 H new ATOM 1686 N ILE A 112 3.989 -0.518 -0.259 1.00 0.00 N ATOM 1687 CA ILE A 112 5.423 -0.385 -0.466 1.00 0.00 C ATOM 1688 C ILE A 112 6.043 -1.776 -0.334 1.00 0.00 C ATOM 1689 O ILE A 112 5.670 -2.543 0.565 1.00 0.00 O ATOM 1690 CB ILE A 112 6.048 0.571 0.581 1.00 0.00 C ATOM 1691 CG1 ILE A 112 5.387 1.971 0.558 1.00 0.00 C ATOM 1692 CG2 ILE A 112 7.568 0.611 0.315 1.00 0.00 C ATOM 1693 CD1 ILE A 112 5.837 2.954 1.657 1.00 0.00 C ATOM 0 H ILE A 112 3.709 -0.315 0.701 1.00 0.00 H new ATOM 0 HA ILE A 112 5.616 0.035 -1.453 1.00 0.00 H new ATOM 0 HB ILE A 112 5.867 0.204 1.591 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.585 2.427 -0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.307 1.842 0.635 1.00 0.00 H new ATOM 0 HG21 ILE A 112 8.046 1.276 1.034 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.982 -0.392 0.418 1.00 0.00 H new ATOM 0 HG23 ILE A 112 7.751 0.977 -0.695 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.307 3.899 1.539 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.613 2.532 2.637 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.910 3.127 1.573 1.00 0.00 H new ATOM 1705 N LEU A 113 7.041 -2.065 -1.173 1.00 0.00 N ATOM 1706 CA LEU A 113 7.734 -3.340 -1.212 1.00 0.00 C ATOM 1707 C LEU A 113 9.186 -3.195 -0.760 1.00 0.00 C ATOM 1708 O LEU A 113 9.894 -2.265 -1.156 1.00 0.00 O ATOM 1709 CB LEU A 113 7.690 -3.941 -2.622 1.00 0.00 C ATOM 1710 CG LEU A 113 6.297 -3.996 -3.273 1.00 0.00 C ATOM 1711 CD1 LEU A 113 6.410 -4.412 -4.739 1.00 0.00 C ATOM 1712 CD2 LEU A 113 5.370 -4.971 -2.564 1.00 0.00 C ATOM 0 H LEU A 113 7.393 -1.397 -1.859 1.00 0.00 H new ATOM 0 HA LEU A 113 7.221 -4.011 -0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.351 -3.361 -3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.093 -4.953 -2.580 1.00 0.00 H new ATOM 0 HG LEU A 113 5.875 -2.994 -3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.416 -4.446 -5.185 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.024 -3.689 -5.276 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.871 -5.398 -4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.399 -4.975 -3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.800 -5.972 -2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.246 -4.665 -1.525 1.00 0.00 H new ATOM 1724 N ARG A 114 9.664 -4.173 0.010 1.00 0.00 N ATOM 1725 CA ARG A 114 11.049 -4.306 0.477 1.00 0.00 C ATOM 1726 C ARG A 114 12.024 -4.584 -0.666 1.00 0.00 C ATOM 1727 O ARG A 114 13.214 -4.293 -0.557 1.00 0.00 O ATOM 1728 CB ARG A 114 11.136 -5.461 1.490 1.00 0.00 C ATOM 1729 CG ARG A 114 10.185 -5.260 2.673 1.00 0.00 C ATOM 1730 CD ARG A 114 10.477 -6.192 3.850 1.00 0.00 C ATOM 1731 NE ARG A 114 10.865 -5.377 5.008 1.00 0.00 N ATOM 1732 CZ ARG A 114 10.763 -5.660 6.303 1.00 0.00 C ATOM 1733 NH1 ARG A 114 10.372 -6.855 6.714 1.00 0.00 N ATOM 1734 NH2 ARG A 114 11.060 -4.730 7.196 1.00 0.00 N ATOM 0 H ARG A 114 9.069 -4.932 0.342 1.00 0.00 H new ATOM 0 HA ARG A 114 11.329 -3.358 0.936 1.00 0.00 H new ATOM 0 HB2 ARG A 114 10.899 -6.400 0.990 1.00 0.00 H new ATOM 0 HB3 ARG A 114 12.159 -5.545 1.857 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.252 -4.226 3.012 1.00 0.00 H new ATOM 0 HG3 ARG A 114 9.160 -5.420 2.338 1.00 0.00 H new ATOM 0 HD2 ARG A 114 9.597 -6.790 4.086 1.00 0.00 H new ATOM 0 HD3 ARG A 114 11.276 -6.888 3.592 1.00 0.00 H new ATOM 0 HE ARG A 114 11.269 -4.467 4.788 1.00 0.00 H new ATOM 0 HH11 ARG A 114 10.143 -7.579 6.033 1.00 0.00 H new ATOM 0 HH12 ARG A 114 10.300 -7.053 7.712 1.00 0.00 H new ATOM 0 HH21 ARG A 114 11.364 -3.806 6.888 1.00 0.00 H new ATOM 0 HH22 ARG A 114 10.985 -4.937 8.192 1.00 0.00 H new ATOM 1748 N PHE A 115 11.534 -5.170 -1.751 1.00 0.00 N ATOM 1749 CA PHE A 115 12.299 -5.543 -2.925 1.00 0.00 C ATOM 1750 C PHE A 115 11.349 -5.498 -4.117 1.00 0.00 C ATOM 1751 O PHE A 115 10.133 -5.583 -3.923 1.00 0.00 O ATOM 1752 CB PHE A 115 12.897 -6.943 -2.729 1.00 0.00 C ATOM 1753 CG PHE A 115 11.966 -8.005 -2.178 1.00 0.00 C ATOM 1754 CD1 PHE A 115 11.136 -8.764 -3.027 1.00 0.00 C ATOM 1755 CD2 PHE A 115 11.992 -8.279 -0.800 1.00 0.00 C ATOM 1756 CE1 PHE A 115 10.409 -9.845 -2.500 1.00 0.00 C ATOM 1757 CE2 PHE A 115 11.229 -9.326 -0.267 1.00 0.00 C ATOM 1758 CZ PHE A 115 10.461 -10.127 -1.124 1.00 0.00 C ATOM 0 H PHE A 115 10.546 -5.408 -1.836 1.00 0.00 H new ATOM 0 HA PHE A 115 13.131 -4.859 -3.095 1.00 0.00 H new ATOM 0 HB2 PHE A 115 13.278 -7.289 -3.690 1.00 0.00 H new ATOM 0 HB3 PHE A 115 13.752 -6.858 -2.059 1.00 0.00 H new ATOM 0 HD1 PHE A 115 11.059 -8.517 -4.075 1.00 0.00 H new ATOM 0 HD2 PHE A 115 12.606 -7.677 -0.146 1.00 0.00 H new ATOM 0 HE1 PHE A 115 9.809 -10.461 -3.154 1.00 0.00 H new ATOM 0 HE2 PHE A 115 11.232 -9.515 0.796 1.00 0.00 H new ATOM 0 HZ PHE A 115 9.907 -10.964 -0.725 1.00 0.00 H new ATOM 1768 N PRO A 116 11.867 -5.349 -5.344 1.00 0.00 N ATOM 1769 CA PRO A 116 11.034 -5.306 -6.529 1.00 0.00 C ATOM 1770 C PRO A 116 10.469 -6.705 -6.772 1.00 0.00 C ATOM 1771 O PRO A 116 11.196 -7.703 -6.748 1.00 0.00 O ATOM 1772 CB PRO A 116 11.946 -4.793 -7.643 1.00 0.00 C ATOM 1773 CG PRO A 116 13.322 -5.295 -7.218 1.00 0.00 C ATOM 1774 CD PRO A 116 13.274 -5.261 -5.695 1.00 0.00 C ATOM 0 HA PRO A 116 10.168 -4.648 -6.453 1.00 0.00 H new ATOM 0 HB2 PRO A 116 11.655 -5.188 -8.617 1.00 0.00 H new ATOM 0 HB3 PRO A 116 11.919 -3.706 -7.719 1.00 0.00 H new ATOM 0 HG2 PRO A 116 13.511 -6.302 -7.589 1.00 0.00 H new ATOM 0 HG3 PRO A 116 14.117 -4.658 -7.606 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.837 -6.090 -5.267 1.00 0.00 H new ATOM 0 HD3 PRO A 116 13.717 -4.343 -5.310 1.00 0.00 H new ATOM 1782 N VAL A 117 9.155 -6.802 -6.948 1.00 0.00 N ATOM 1783 CA VAL A 117 8.513 -8.078 -7.242 1.00 0.00 C ATOM 1784 C VAL A 117 8.750 -8.343 -8.739 1.00 0.00 C ATOM 1785 O VAL A 117 8.504 -7.441 -9.551 1.00 0.00 O ATOM 1786 CB VAL A 117 7.025 -8.000 -6.865 1.00 0.00 C ATOM 1787 CG1 VAL A 117 6.229 -9.238 -7.309 1.00 0.00 C ATOM 1788 CG2 VAL A 117 6.809 -7.836 -5.351 1.00 0.00 C ATOM 0 H VAL A 117 8.513 -6.011 -6.892 1.00 0.00 H new ATOM 0 HA VAL A 117 8.924 -8.906 -6.664 1.00 0.00 H new ATOM 0 HB VAL A 117 6.661 -7.119 -7.394 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.186 -9.124 -7.015 1.00 0.00 H new ATOM 0 HG12 VAL A 117 6.291 -9.341 -8.392 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.645 -10.127 -6.835 1.00 0.00 H new ATOM 0 HG21 VAL A 117 5.741 -7.786 -5.139 1.00 0.00 H new ATOM 0 HG22 VAL A 117 7.243 -8.687 -4.827 1.00 0.00 H new ATOM 0 HG23 VAL A 117 7.289 -6.918 -5.012 1.00 0.00 H new ATOM 1798 N PRO A 118 9.247 -9.526 -9.140 1.00 0.00 N ATOM 1799 CA PRO A 118 9.524 -9.834 -10.534 1.00 0.00 C ATOM 1800 C PRO A 118 8.223 -9.973 -11.314 1.00 0.00 C ATOM 1801 O PRO A 118 7.500 -10.960 -11.178 1.00 0.00 O ATOM 1802 CB PRO A 118 10.351 -11.112 -10.537 1.00 0.00 C ATOM 1803 CG PRO A 118 9.957 -11.800 -9.243 1.00 0.00 C ATOM 1804 CD PRO A 118 9.640 -10.644 -8.298 1.00 0.00 C ATOM 0 HA PRO A 118 10.080 -9.037 -11.027 1.00 0.00 H new ATOM 0 HB2 PRO A 118 10.126 -11.732 -11.405 1.00 0.00 H new ATOM 0 HB3 PRO A 118 11.419 -10.897 -10.567 1.00 0.00 H new ATOM 0 HG2 PRO A 118 9.094 -12.451 -9.383 1.00 0.00 H new ATOM 0 HG3 PRO A 118 10.766 -12.421 -8.858 1.00 0.00 H new ATOM 0 HD2 PRO A 118 8.839 -10.913 -7.610 1.00 0.00 H new ATOM 0 HD3 PRO A 118 10.509 -10.388 -7.692 1.00 0.00 H new ATOM 1812 N SER A 119 7.916 -8.957 -12.108 1.00 0.00 N ATOM 1813 CA SER A 119 6.851 -8.948 -13.087 1.00 0.00 C ATOM 1814 C SER A 119 7.249 -7.839 -14.053 1.00 0.00 C ATOM 1815 O SER A 119 7.800 -8.115 -15.118 1.00 0.00 O ATOM 1816 CB SER A 119 5.501 -8.733 -12.383 1.00 0.00 C ATOM 1817 OG SER A 119 4.465 -8.514 -13.318 1.00 0.00 O ATOM 0 H SER A 119 8.431 -8.077 -12.082 1.00 0.00 H new ATOM 0 HA SER A 119 6.721 -9.884 -13.631 1.00 0.00 H new ATOM 0 HB2 SER A 119 5.264 -9.604 -11.772 1.00 0.00 H new ATOM 0 HB3 SER A 119 5.572 -7.880 -11.708 1.00 0.00 H new ATOM 0 HG SER A 119 3.618 -8.382 -12.843 1.00 0.00 H new ATOM 1823 N GLY A 120 7.082 -6.587 -13.633 1.00 0.00 N ATOM 1824 CA GLY A 120 7.505 -5.393 -14.337 1.00 0.00 C ATOM 1825 C GLY A 120 6.914 -4.173 -13.635 1.00 0.00 C ATOM 1826 O GLY A 120 6.032 -4.343 -12.781 1.00 0.00 O ATOM 0 H GLY A 120 6.624 -6.374 -12.747 1.00 0.00 H new ATOM 0 HA2 GLY A 120 8.593 -5.329 -14.352 1.00 0.00 H new ATOM 0 HA3 GLY A 120 7.173 -5.429 -15.375 1.00 0.00 H new ATOM 1830 N PRO A 121 7.334 -2.957 -14.004 1.00 0.00 N ATOM 1831 CA PRO A 121 6.713 -1.728 -13.532 1.00 0.00 C ATOM 1832 C PRO A 121 5.294 -1.608 -14.108 1.00 0.00 C ATOM 1833 O PRO A 121 4.907 -2.364 -15.009 1.00 0.00 O ATOM 1834 CB PRO A 121 7.645 -0.611 -14.016 1.00 0.00 C ATOM 1835 CG PRO A 121 8.270 -1.180 -15.285 1.00 0.00 C ATOM 1836 CD PRO A 121 8.349 -2.678 -15.007 1.00 0.00 C ATOM 0 HA PRO A 121 6.595 -1.688 -12.449 1.00 0.00 H new ATOM 0 HB2 PRO A 121 7.095 0.308 -14.219 1.00 0.00 H new ATOM 0 HB3 PRO A 121 8.403 -0.371 -13.270 1.00 0.00 H new ATOM 0 HG2 PRO A 121 7.660 -0.967 -16.163 1.00 0.00 H new ATOM 0 HG3 PRO A 121 9.256 -0.755 -15.472 1.00 0.00 H new ATOM 0 HD2 PRO A 121 8.168 -3.253 -15.915 1.00 0.00 H new ATOM 0 HD3 PRO A 121 9.340 -2.956 -14.647 1.00 0.00 H new ATOM 1844 N SER A 122 4.513 -0.651 -13.608 1.00 0.00 N ATOM 1845 CA SER A 122 3.223 -0.294 -14.178 1.00 0.00 C ATOM 1846 C SER A 122 2.846 1.132 -13.773 1.00 0.00 C ATOM 1847 O SER A 122 3.449 1.709 -12.859 1.00 0.00 O ATOM 1848 CB SER A 122 2.163 -1.318 -13.759 1.00 0.00 C ATOM 1849 OG SER A 122 2.183 -1.546 -12.363 1.00 0.00 O ATOM 0 H SER A 122 4.764 -0.099 -12.788 1.00 0.00 H new ATOM 0 HA SER A 122 3.283 -0.316 -15.266 1.00 0.00 H new ATOM 0 HB2 SER A 122 1.176 -0.963 -14.056 1.00 0.00 H new ATOM 0 HB3 SER A 122 2.336 -2.257 -14.284 1.00 0.00 H new ATOM 0 HG SER A 122 1.975 -0.712 -11.892 1.00 0.00 H new ATOM 1855 N SER A 123 1.863 1.708 -14.463 1.00 0.00 N ATOM 1856 CA SER A 123 1.373 3.066 -14.308 1.00 0.00 C ATOM 1857 C SER A 123 0.045 3.193 -15.074 1.00 0.00 C ATOM 1858 O SER A 123 -0.577 2.183 -15.417 1.00 0.00 O ATOM 1859 CB SER A 123 2.454 4.035 -14.813 1.00 0.00 C ATOM 1860 OG SER A 123 2.182 5.360 -14.399 1.00 0.00 O ATOM 0 H SER A 123 1.359 1.201 -15.191 1.00 0.00 H new ATOM 0 HA SER A 123 1.175 3.314 -13.265 1.00 0.00 H new ATOM 0 HB2 SER A 123 3.429 3.726 -14.436 1.00 0.00 H new ATOM 0 HB3 SER A 123 2.505 3.994 -15.901 1.00 0.00 H new ATOM 0 HG SER A 123 2.885 5.957 -14.731 1.00 0.00 H new ATOM 1866 N GLY A 124 -0.406 4.423 -15.327 1.00 0.00 N ATOM 1867 CA GLY A 124 -1.621 4.709 -16.074 1.00 0.00 C ATOM 1868 C GLY A 124 -2.846 4.343 -15.263 1.00 0.00 C ATOM 1869 O GLY A 124 -3.886 4.041 -15.888 1.00 0.00 O ATOM 0 H GLY A 124 0.078 5.263 -15.009 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -1.654 5.767 -16.334 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -1.618 4.151 -17.010 1.00 0.00 H new TER 1873 GLY A 124