USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 587 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 25 HIS : no HD1:sc= 0.208 K(o=0.88,f=-7.4!) USER MOD Set 1.2: A 48 GLN : amide:sc= 0.671 K(o=0.88,f=-3.3) USER MOD Set 2.1: A 31 THR OG1 : rot -150:sc= 0.411 USER MOD Set 2.2: A 37 GLN : amide:sc= -1.48 X(o=-1.1,f=-1.5!) USER MOD Single : A 1 LYS N :NH3+ -168:sc= -0.0229 (180deg=-0.204) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.15) USER MOD Single : A 22 ASN : amide:sc= -0.968 K(o=-0.97,f=-4.8!) USER MOD Single : A 24 LYS NZ :NH3+ 159:sc= -0.0581 (180deg=-0.392) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.257 K(o=-0.26,f=-1.1) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.689 F(o=-2.9!,f=-0.69) USER MOD Single : A 46 ASN : amide:sc= 0.329 K(o=0.33,f=-3.7!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0.0847 X(o=0.085,f=-0.069) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 169:sc=-0.00958 (180deg=-0.143) USER MOD Single : A 67 ASN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.447 -24.471 8.978 1.00 64.23 N ATOM 2 CA LYS A 1 2.352 -23.570 9.689 1.00 11.22 C ATOM 3 C LYS A 1 1.840 -22.137 9.540 1.00 50.11 C ATOM 4 O LYS A 1 1.445 -21.743 8.443 1.00 54.11 O ATOM 5 CB LYS A 1 3.769 -23.668 9.093 1.00 13.11 C ATOM 6 CG LYS A 1 4.387 -25.067 9.125 1.00 42.24 C ATOM 7 CD LYS A 1 5.770 -25.101 8.462 1.00 10.12 C ATOM 8 CE LYS A 1 6.783 -24.215 9.186 1.00 3.10 C ATOM 9 NZ LYS A 1 8.110 -24.208 8.522 1.00 41.33 N ATOM 0 H1 LYS A 1 1.663 -25.455 9.237 1.00 64.23 H new ATOM 0 H2 LYS A 1 0.464 -24.252 9.238 1.00 64.23 H new ATOM 0 H3 LYS A 1 1.569 -24.348 7.953 1.00 64.23 H new ATOM 0 HA LYS A 1 2.389 -23.849 10.742 1.00 11.22 H new ATOM 0 HB2 LYS A 1 3.737 -23.325 8.059 1.00 13.11 H new ATOM 0 HB3 LYS A 1 4.423 -22.985 9.635 1.00 13.11 H new ATOM 0 HG2 LYS A 1 4.473 -25.402 10.159 1.00 42.24 H new ATOM 0 HG3 LYS A 1 3.724 -25.768 8.617 1.00 42.24 H new ATOM 0 HD2 LYS A 1 6.136 -26.127 8.444 1.00 10.12 H new ATOM 0 HD3 LYS A 1 5.682 -24.776 7.426 1.00 10.12 H new ATOM 0 HE2 LYS A 1 6.400 -23.196 9.235 1.00 3.10 H new ATOM 0 HE3 LYS A 1 6.896 -24.563 10.213 1.00 3.10 H new ATOM 0 HZ1 LYS A 1 8.760 -23.593 9.052 1.00 41.33 H new ATOM 0 HZ2 LYS A 1 8.491 -25.175 8.498 1.00 41.33 H new ATOM 0 HZ3 LYS A 1 8.010 -23.851 7.550 1.00 41.33 H new ATOM 23 N PRO A 2 1.794 -21.347 10.640 1.00 55.14 N ATOM 24 CA PRO A 2 1.393 -19.930 10.579 1.00 44.34 C ATOM 25 C PRO A 2 2.381 -19.126 9.732 1.00 62.31 C ATOM 26 O PRO A 2 1.998 -18.553 8.719 1.00 3.24 O ATOM 27 CB PRO A 2 1.446 -19.467 12.045 1.00 65.10 C ATOM 28 CG PRO A 2 1.418 -20.721 12.848 1.00 3.11 C ATOM 29 CD PRO A 2 2.097 -21.769 12.013 1.00 5.34 C ATOM 0 HA PRO A 2 0.412 -19.791 10.125 1.00 44.34 H new ATOM 0 HB2 PRO A 2 2.350 -18.891 12.244 1.00 65.10 H new ATOM 0 HB3 PRO A 2 0.599 -18.825 12.287 1.00 65.10 H new ATOM 0 HG2 PRO A 2 1.934 -20.586 13.799 1.00 3.11 H new ATOM 0 HG3 PRO A 2 0.393 -21.012 13.080 1.00 3.11 H new ATOM 0 HD2 PRO A 2 3.171 -21.799 12.198 1.00 5.34 H new ATOM 0 HD3 PRO A 2 1.709 -22.766 12.223 1.00 5.34 H new ATOM 37 N VAL A 3 3.656 -19.135 10.178 1.00 13.41 N ATOM 38 CA VAL A 3 4.833 -18.512 9.516 1.00 40.35 C ATOM 39 C VAL A 3 4.687 -17.071 9.014 1.00 35.33 C ATOM 40 O VAL A 3 3.889 -16.755 8.133 1.00 52.34 O ATOM 41 CB VAL A 3 5.530 -19.408 8.440 1.00 3.24 C ATOM 42 CG1 VAL A 3 6.089 -20.657 9.071 1.00 21.11 C ATOM 43 CG2 VAL A 3 4.598 -19.766 7.284 1.00 73.43 C ATOM 0 H VAL A 3 3.909 -19.598 11.051 1.00 13.41 H new ATOM 0 HA VAL A 3 5.498 -18.434 10.376 1.00 40.35 H new ATOM 0 HB VAL A 3 6.348 -18.822 8.022 1.00 3.24 H new ATOM 0 HG11 VAL A 3 6.570 -21.267 8.306 1.00 21.11 H new ATOM 0 HG12 VAL A 3 6.821 -20.384 9.831 1.00 21.11 H new ATOM 0 HG13 VAL A 3 5.281 -21.224 9.533 1.00 21.11 H new ATOM 0 HG21 VAL A 3 5.132 -20.389 6.566 1.00 73.43 H new ATOM 0 HG22 VAL A 3 3.736 -20.312 7.667 1.00 73.43 H new ATOM 0 HG23 VAL A 3 4.261 -18.853 6.793 1.00 73.43 H new ATOM 53 N SER A 4 5.481 -16.206 9.577 1.00 45.01 N ATOM 54 CA SER A 4 5.572 -14.866 9.112 1.00 51.41 C ATOM 55 C SER A 4 6.648 -14.857 8.041 1.00 65.11 C ATOM 56 O SER A 4 7.847 -14.990 8.351 1.00 31.12 O ATOM 57 CB SER A 4 5.939 -13.918 10.269 1.00 50.12 C ATOM 58 OG SER A 4 5.960 -12.561 9.853 1.00 14.42 O ATOM 0 H SER A 4 6.082 -16.418 10.373 1.00 45.01 H new ATOM 0 HA SER A 4 4.620 -14.520 8.710 1.00 51.41 H new ATOM 0 HB2 SER A 4 5.220 -14.039 11.079 1.00 50.12 H new ATOM 0 HB3 SER A 4 6.916 -14.191 10.667 1.00 50.12 H new ATOM 0 HG SER A 4 6.195 -11.989 10.614 1.00 14.42 H new ATOM 64 N LEU A 5 6.228 -14.780 6.787 1.00 0.12 N ATOM 65 CA LEU A 5 7.157 -14.811 5.675 1.00 21.03 C ATOM 66 C LEU A 5 8.043 -13.591 5.691 1.00 63.22 C ATOM 67 O LEU A 5 7.573 -12.465 5.553 1.00 43.51 O ATOM 68 CB LEU A 5 6.450 -14.972 4.304 1.00 65.05 C ATOM 69 CG LEU A 5 5.731 -16.322 4.011 1.00 42.13 C ATOM 70 CD1 LEU A 5 6.679 -17.503 4.158 1.00 50.11 C ATOM 71 CD2 LEU A 5 4.478 -16.514 4.856 1.00 70.23 C ATOM 0 H LEU A 5 5.248 -14.696 6.517 1.00 0.12 H new ATOM 0 HA LEU A 5 7.778 -15.697 5.804 1.00 21.03 H new ATOM 0 HB2 LEU A 5 5.714 -14.174 4.211 1.00 65.05 H new ATOM 0 HB3 LEU A 5 7.194 -14.812 3.523 1.00 65.05 H new ATOM 0 HG LEU A 5 5.406 -16.278 2.971 1.00 42.13 H new ATOM 0 HD11 LEU A 5 6.143 -18.428 3.946 1.00 50.11 H new ATOM 0 HD12 LEU A 5 7.507 -17.395 3.457 1.00 50.11 H new ATOM 0 HD13 LEU A 5 7.067 -17.533 5.176 1.00 50.11 H new ATOM 0 HD21 LEU A 5 4.017 -17.471 4.611 1.00 70.23 H new ATOM 0 HD22 LEU A 5 4.746 -16.500 5.912 1.00 70.23 H new ATOM 0 HD23 LEU A 5 3.773 -15.708 4.650 1.00 70.23 H new ATOM 83 N SER A 6 9.306 -13.817 5.881 1.00 44.23 N ATOM 84 CA SER A 6 10.256 -12.762 5.958 1.00 23.10 C ATOM 85 C SER A 6 10.767 -12.423 4.576 1.00 11.24 C ATOM 86 O SER A 6 10.921 -13.303 3.730 1.00 22.50 O ATOM 87 CB SER A 6 11.393 -13.175 6.876 1.00 52.20 C ATOM 88 OG SER A 6 10.884 -13.500 8.171 1.00 44.02 O ATOM 0 H SER A 6 9.706 -14.749 5.987 1.00 44.23 H new ATOM 0 HA SER A 6 9.783 -11.870 6.369 1.00 23.10 H new ATOM 0 HB2 SER A 6 11.916 -14.034 6.456 1.00 52.20 H new ATOM 0 HB3 SER A 6 12.120 -12.366 6.955 1.00 52.20 H new ATOM 0 HG SER A 6 11.624 -13.767 8.756 1.00 44.02 H new ATOM 94 N TYR A 7 11.004 -11.163 4.341 1.00 23.10 N ATOM 95 CA TYR A 7 11.473 -10.701 3.054 1.00 51.13 C ATOM 96 C TYR A 7 12.656 -9.801 3.307 1.00 45.13 C ATOM 97 O TYR A 7 13.047 -9.606 4.461 1.00 53.15 O ATOM 98 CB TYR A 7 10.387 -9.855 2.363 1.00 3.20 C ATOM 99 CG TYR A 7 8.997 -10.439 2.366 1.00 42.30 C ATOM 100 CD1 TYR A 7 8.637 -11.468 1.511 1.00 50.42 C ATOM 101 CD2 TYR A 7 8.032 -9.938 3.230 1.00 53.24 C ATOM 102 CE1 TYR A 7 7.353 -11.981 1.522 1.00 34.25 C ATOM 103 CE2 TYR A 7 6.757 -10.445 3.247 1.00 54.13 C ATOM 104 CZ TYR A 7 6.418 -11.465 2.393 1.00 4.50 C ATOM 105 OH TYR A 7 5.138 -11.973 2.413 1.00 30.43 O ATOM 0 H TYR A 7 10.879 -10.423 5.032 1.00 23.10 H new ATOM 0 HA TYR A 7 11.726 -11.554 2.425 1.00 51.13 H new ATOM 0 HB2 TYR A 7 10.351 -8.879 2.847 1.00 3.20 H new ATOM 0 HB3 TYR A 7 10.688 -9.687 1.329 1.00 3.20 H new ATOM 0 HD1 TYR A 7 9.368 -11.874 0.828 1.00 50.42 H new ATOM 0 HD2 TYR A 7 8.290 -9.133 3.902 1.00 53.24 H new ATOM 0 HE1 TYR A 7 7.084 -12.783 0.851 1.00 34.25 H new ATOM 0 HE2 TYR A 7 6.023 -10.043 3.930 1.00 54.13 H new ATOM 0 HH TYR A 7 4.608 -11.497 3.086 1.00 30.43 H new ATOM 115 N ARG A 8 13.227 -9.253 2.262 1.00 22.32 N ATOM 116 CA ARG A 8 14.263 -8.240 2.432 1.00 32.55 C ATOM 117 C ARG A 8 13.614 -6.878 2.276 1.00 33.30 C ATOM 118 O ARG A 8 14.254 -5.833 2.364 1.00 3.21 O ATOM 119 CB ARG A 8 15.375 -8.378 1.397 1.00 74.04 C ATOM 120 CG ARG A 8 14.943 -8.129 -0.041 1.00 63.44 C ATOM 121 CD ARG A 8 16.130 -8.143 -0.994 1.00 52.55 C ATOM 122 NE ARG A 8 17.123 -7.125 -0.630 1.00 24.32 N ATOM 123 CZ ARG A 8 18.061 -6.621 -1.440 1.00 55.14 C ATOM 124 NH1 ARG A 8 18.145 -7.007 -2.710 1.00 3.12 N ATOM 125 NH2 ARG A 8 18.923 -5.735 -0.966 1.00 25.54 N ATOM 0 H ARG A 8 13.002 -9.481 1.294 1.00 22.32 H new ATOM 0 HA ARG A 8 14.712 -8.364 3.417 1.00 32.55 H new ATOM 0 HB2 ARG A 8 16.174 -7.680 1.648 1.00 74.04 H new ATOM 0 HB3 ARG A 8 15.795 -9.382 1.467 1.00 74.04 H new ATOM 0 HG2 ARG A 8 14.225 -8.891 -0.343 1.00 63.44 H new ATOM 0 HG3 ARG A 8 14.434 -7.167 -0.107 1.00 63.44 H new ATOM 0 HD2 ARG A 8 16.596 -9.128 -0.982 1.00 52.55 H new ATOM 0 HD3 ARG A 8 15.783 -7.967 -2.012 1.00 52.55 H new ATOM 0 HE ARG A 8 17.095 -6.770 0.326 1.00 24.32 H new ATOM 0 HH11 ARG A 8 17.489 -7.696 -3.078 1.00 3.12 H new ATOM 0 HH12 ARG A 8 18.865 -6.614 -3.316 1.00 3.12 H new ATOM 0 HH21 ARG A 8 18.869 -5.442 0.009 1.00 25.54 H new ATOM 0 HH22 ARG A 8 19.641 -5.345 -1.576 1.00 25.54 H new ATOM 139 N CYS A 9 12.348 -6.920 2.028 1.00 0.05 N ATOM 140 CA CYS A 9 11.552 -5.752 1.805 1.00 61.44 C ATOM 141 C CYS A 9 10.375 -5.760 2.757 1.00 74.24 C ATOM 142 O CYS A 9 9.965 -6.826 3.220 1.00 24.43 O ATOM 143 CB CYS A 9 10.996 -5.785 0.390 1.00 11.05 C ATOM 144 SG CYS A 9 12.219 -5.981 -0.925 1.00 63.45 S ATOM 0 H CYS A 9 11.820 -7.791 1.973 1.00 0.05 H new ATOM 0 HA CYS A 9 12.168 -4.866 1.958 1.00 61.44 H new ATOM 0 HB2 CYS A 9 10.279 -6.603 0.320 1.00 11.05 H new ATOM 0 HB3 CYS A 9 10.444 -4.861 0.214 1.00 11.05 H new ATOM 149 N PRO A 10 9.822 -4.584 3.082 1.00 61.34 N ATOM 150 CA PRO A 10 8.586 -4.481 3.881 1.00 52.41 C ATOM 151 C PRO A 10 7.415 -5.185 3.156 1.00 22.21 C ATOM 152 O PRO A 10 6.609 -5.887 3.768 1.00 12.33 O ATOM 153 CB PRO A 10 8.351 -2.964 3.968 1.00 52.32 C ATOM 154 CG PRO A 10 9.698 -2.369 3.739 1.00 22.11 C ATOM 155 CD PRO A 10 10.374 -3.259 2.752 1.00 70.54 C ATOM 0 HA PRO A 10 8.660 -4.955 4.860 1.00 52.41 H new ATOM 0 HB2 PRO A 10 7.635 -2.629 3.217 1.00 52.32 H new ATOM 0 HB3 PRO A 10 7.950 -2.679 4.941 1.00 52.32 H new ATOM 0 HG2 PRO A 10 9.616 -1.352 3.356 1.00 22.11 H new ATOM 0 HG3 PRO A 10 10.265 -2.315 4.669 1.00 22.11 H new ATOM 0 HD2 PRO A 10 10.149 -2.970 1.725 1.00 70.54 H new ATOM 0 HD3 PRO A 10 11.458 -3.234 2.860 1.00 70.54 H new ATOM 163 N CYS A 11 7.352 -4.993 1.854 1.00 30.32 N ATOM 164 CA CYS A 11 6.386 -5.664 1.000 1.00 3.03 C ATOM 165 C CYS A 11 7.103 -6.214 -0.199 1.00 14.23 C ATOM 166 O CYS A 11 8.083 -5.631 -0.650 1.00 55.42 O ATOM 167 CB CYS A 11 5.284 -4.718 0.525 1.00 30.34 C ATOM 168 SG CYS A 11 4.154 -4.126 1.816 1.00 24.24 S ATOM 0 H CYS A 11 7.975 -4.361 1.351 1.00 30.32 H new ATOM 0 HA CYS A 11 5.918 -6.459 1.581 1.00 3.03 H new ATOM 0 HB2 CYS A 11 5.750 -3.855 0.050 1.00 30.34 H new ATOM 0 HB3 CYS A 11 4.698 -5.226 -0.241 1.00 30.34 H new ATOM 173 N ARG A 12 6.635 -7.324 -0.703 1.00 21.54 N ATOM 174 CA ARG A 12 7.228 -7.924 -1.875 1.00 54.33 C ATOM 175 C ARG A 12 6.160 -8.041 -2.943 1.00 72.14 C ATOM 176 O ARG A 12 6.378 -7.693 -4.101 1.00 4.12 O ATOM 177 CB ARG A 12 7.810 -9.292 -1.530 1.00 45.53 C ATOM 178 CG ARG A 12 8.638 -9.916 -2.635 1.00 2.13 C ATOM 179 CD ARG A 12 9.200 -11.252 -2.202 1.00 62.15 C ATOM 180 NE ARG A 12 10.159 -11.793 -3.169 1.00 5.12 N ATOM 181 CZ ARG A 12 10.885 -12.896 -2.973 1.00 72.51 C ATOM 182 NH1 ARG A 12 10.657 -13.663 -1.915 1.00 43.34 N ATOM 183 NH2 ARG A 12 11.815 -13.248 -3.849 1.00 51.45 N ATOM 0 H ARG A 12 5.840 -7.836 -0.320 1.00 21.54 H new ATOM 0 HA ARG A 12 8.044 -7.304 -2.245 1.00 54.33 H new ATOM 0 HB2 ARG A 12 8.430 -9.195 -0.638 1.00 45.53 H new ATOM 0 HB3 ARG A 12 6.993 -9.968 -1.279 1.00 45.53 H new ATOM 0 HG2 ARG A 12 8.023 -10.047 -3.525 1.00 2.13 H new ATOM 0 HG3 ARG A 12 9.453 -9.245 -2.907 1.00 2.13 H new ATOM 0 HD2 ARG A 12 9.688 -11.142 -1.233 1.00 62.15 H new ATOM 0 HD3 ARG A 12 8.383 -11.961 -2.069 1.00 62.15 H new ATOM 0 HE ARG A 12 10.280 -11.294 -4.050 1.00 5.12 H new ATOM 0 HH11 ARG A 12 9.926 -13.410 -1.250 1.00 43.34 H new ATOM 0 HH12 ARG A 12 11.213 -14.505 -1.767 1.00 43.34 H new ATOM 0 HH21 ARG A 12 11.978 -12.675 -4.677 1.00 51.45 H new ATOM 0 HH22 ARG A 12 12.367 -14.092 -3.695 1.00 51.45 H new ATOM 197 N PHE A 13 5.002 -8.525 -2.535 1.00 3.10 N ATOM 198 CA PHE A 13 3.858 -8.612 -3.408 1.00 52.53 C ATOM 199 C PHE A 13 2.958 -7.417 -3.129 1.00 51.11 C ATOM 200 O PHE A 13 2.948 -6.890 -2.004 1.00 20.24 O ATOM 201 CB PHE A 13 3.095 -9.944 -3.196 1.00 3.24 C ATOM 202 CG PHE A 13 2.431 -10.113 -1.840 1.00 3.32 C ATOM 203 CD1 PHE A 13 3.174 -10.402 -0.711 1.00 21.42 C ATOM 204 CD2 PHE A 13 1.054 -9.981 -1.710 1.00 34.44 C ATOM 205 CE1 PHE A 13 2.567 -10.557 0.516 1.00 51.31 C ATOM 206 CE2 PHE A 13 0.442 -10.138 -0.483 1.00 44.11 C ATOM 207 CZ PHE A 13 1.199 -10.426 0.632 1.00 74.42 C ATOM 0 H PHE A 13 4.833 -8.867 -1.589 1.00 3.10 H new ATOM 0 HA PHE A 13 4.184 -8.596 -4.448 1.00 52.53 H new ATOM 0 HB2 PHE A 13 2.330 -10.030 -3.968 1.00 3.24 H new ATOM 0 HB3 PHE A 13 3.792 -10.769 -3.344 1.00 3.24 H new ATOM 0 HD1 PHE A 13 4.246 -10.508 -0.792 1.00 21.42 H new ATOM 0 HD2 PHE A 13 0.455 -9.753 -2.580 1.00 34.44 H new ATOM 0 HE1 PHE A 13 3.163 -10.781 1.388 1.00 51.31 H new ATOM 0 HE2 PHE A 13 -0.630 -10.035 -0.397 1.00 44.11 H new ATOM 0 HZ PHE A 13 0.723 -10.549 1.593 1.00 74.42 H new ATOM 217 N PHE A 14 2.232 -6.982 -4.123 1.00 70.23 N ATOM 218 CA PHE A 14 1.383 -5.811 -3.999 1.00 70.44 C ATOM 219 C PHE A 14 0.005 -6.140 -4.508 1.00 53.43 C ATOM 220 O PHE A 14 -0.153 -6.996 -5.392 1.00 74.21 O ATOM 221 CB PHE A 14 1.932 -4.683 -4.847 1.00 63.31 C ATOM 222 CG PHE A 14 3.392 -4.385 -4.673 1.00 4.41 C ATOM 223 CD1 PHE A 14 3.864 -3.779 -3.528 1.00 11.24 C ATOM 224 CD2 PHE A 14 4.292 -4.719 -5.669 1.00 53.23 C ATOM 225 CE1 PHE A 14 5.206 -3.511 -3.380 1.00 11.54 C ATOM 226 CE2 PHE A 14 5.633 -4.452 -5.530 1.00 30.23 C ATOM 227 CZ PHE A 14 6.093 -3.847 -4.381 1.00 61.51 C ATOM 0 H PHE A 14 2.207 -7.423 -5.043 1.00 70.23 H new ATOM 0 HA PHE A 14 1.349 -5.512 -2.951 1.00 70.44 H new ATOM 0 HB2 PHE A 14 1.752 -4.921 -5.895 1.00 63.31 H new ATOM 0 HB3 PHE A 14 1.367 -3.778 -4.624 1.00 63.31 H new ATOM 0 HD1 PHE A 14 3.175 -3.512 -2.740 1.00 11.24 H new ATOM 0 HD2 PHE A 14 3.935 -5.197 -6.570 1.00 53.23 H new ATOM 0 HE1 PHE A 14 5.565 -3.037 -2.478 1.00 11.54 H new ATOM 0 HE2 PHE A 14 6.323 -4.715 -6.318 1.00 30.23 H new ATOM 0 HZ PHE A 14 7.146 -3.636 -4.264 1.00 61.51 H new ATOM 237 N GLU A 15 -0.976 -5.496 -3.964 1.00 21.34 N ATOM 238 CA GLU A 15 -2.306 -5.665 -4.382 1.00 60.01 C ATOM 239 C GLU A 15 -2.485 -4.747 -5.608 1.00 33.02 C ATOM 240 O GLU A 15 -1.902 -3.653 -5.655 1.00 32.23 O ATOM 241 CB GLU A 15 -3.198 -5.222 -3.247 1.00 32.10 C ATOM 242 CG GLU A 15 -4.466 -6.004 -3.097 1.00 41.43 C ATOM 243 CD GLU A 15 -5.272 -6.083 -4.348 1.00 52.21 C ATOM 244 OE1 GLU A 15 -6.011 -5.150 -4.641 1.00 71.15 O ATOM 245 OE2 GLU A 15 -5.144 -7.094 -5.085 1.00 50.14 O ATOM 0 H GLU A 15 -0.860 -4.827 -3.202 1.00 21.34 H new ATOM 0 HA GLU A 15 -2.551 -6.695 -4.641 1.00 60.01 H new ATOM 0 HB2 GLU A 15 -2.636 -5.288 -2.316 1.00 32.10 H new ATOM 0 HB3 GLU A 15 -3.451 -4.172 -3.392 1.00 32.10 H new ATOM 0 HG2 GLU A 15 -4.223 -7.014 -2.767 1.00 41.43 H new ATOM 0 HG3 GLU A 15 -5.072 -5.550 -2.313 1.00 41.43 H new ATOM 252 N SER A 16 -3.233 -5.180 -6.587 1.00 20.31 N ATOM 253 CA SER A 16 -3.364 -4.419 -7.816 1.00 4.51 C ATOM 254 C SER A 16 -4.831 -4.259 -8.240 1.00 54.34 C ATOM 255 O SER A 16 -5.120 -3.892 -9.371 1.00 41.12 O ATOM 256 CB SER A 16 -2.543 -5.107 -8.904 1.00 13.12 C ATOM 257 OG SER A 16 -1.193 -5.253 -8.465 1.00 1.44 O ATOM 0 H SER A 16 -3.762 -6.052 -6.565 1.00 20.31 H new ATOM 0 HA SER A 16 -2.985 -3.410 -7.652 1.00 4.51 H new ATOM 0 HB2 SER A 16 -2.969 -6.084 -9.132 1.00 13.12 H new ATOM 0 HB3 SER A 16 -2.576 -4.522 -9.823 1.00 13.12 H new ATOM 0 HG SER A 16 -0.668 -5.696 -9.164 1.00 1.44 H new ATOM 263 N HIS A 17 -5.734 -4.493 -7.318 1.00 42.31 N ATOM 264 CA HIS A 17 -7.164 -4.354 -7.559 1.00 72.31 C ATOM 265 C HIS A 17 -7.675 -3.221 -6.654 1.00 23.51 C ATOM 266 O HIS A 17 -8.873 -3.051 -6.419 1.00 63.33 O ATOM 267 CB HIS A 17 -7.849 -5.717 -7.245 1.00 40.50 C ATOM 268 CG HIS A 17 -9.340 -5.783 -7.455 1.00 33.04 C ATOM 269 ND1 HIS A 17 -9.922 -6.000 -8.678 1.00 44.04 N ATOM 270 CD2 HIS A 17 -10.365 -5.687 -6.574 1.00 4.13 C ATOM 271 CE1 HIS A 17 -11.228 -6.033 -8.541 1.00 70.33 C ATOM 272 NE2 HIS A 17 -11.519 -5.848 -7.282 1.00 42.43 N ATOM 0 H HIS A 17 -5.503 -4.788 -6.369 1.00 42.31 H new ATOM 0 HA HIS A 17 -7.391 -4.101 -8.595 1.00 72.31 H new ATOM 0 HB2 HIS A 17 -7.383 -6.484 -7.864 1.00 40.50 H new ATOM 0 HB3 HIS A 17 -7.639 -5.974 -6.207 1.00 40.50 H new ATOM 0 HD2 HIS A 17 -10.283 -5.515 -5.511 1.00 4.13 H new ATOM 0 HE1 HIS A 17 -11.942 -6.187 -9.337 1.00 70.33 H new ATOM 0 HE2 HIS A 17 -12.460 -5.827 -6.890 1.00 42.43 H new ATOM 281 N VAL A 18 -6.734 -2.426 -6.197 1.00 13.11 N ATOM 282 CA VAL A 18 -6.999 -1.369 -5.255 1.00 41.03 C ATOM 283 C VAL A 18 -7.660 -0.178 -5.929 1.00 52.33 C ATOM 284 O VAL A 18 -7.273 0.213 -7.032 1.00 40.00 O ATOM 285 CB VAL A 18 -5.712 -0.895 -4.557 1.00 53.42 C ATOM 286 CG1 VAL A 18 -6.050 0.062 -3.428 1.00 25.12 C ATOM 287 CG2 VAL A 18 -4.899 -2.072 -4.045 1.00 45.53 C ATOM 0 H VAL A 18 -5.755 -2.498 -6.473 1.00 13.11 H new ATOM 0 HA VAL A 18 -7.677 -1.784 -4.509 1.00 41.03 H new ATOM 0 HB VAL A 18 -5.101 -0.367 -5.289 1.00 53.42 H new ATOM 0 HG11 VAL A 18 -5.131 0.390 -2.942 1.00 25.12 H new ATOM 0 HG12 VAL A 18 -6.577 0.927 -3.830 1.00 25.12 H new ATOM 0 HG13 VAL A 18 -6.685 -0.444 -2.700 1.00 25.12 H new ATOM 0 HG21 VAL A 18 -3.996 -1.706 -3.557 1.00 45.53 H new ATOM 0 HG22 VAL A 18 -5.493 -2.641 -3.330 1.00 45.53 H new ATOM 0 HG23 VAL A 18 -4.624 -2.715 -4.881 1.00 45.53 H new ATOM 297 N ALA A 19 -8.656 0.372 -5.275 1.00 2.52 N ATOM 298 CA ALA A 19 -9.360 1.532 -5.761 1.00 44.33 C ATOM 299 C ALA A 19 -9.133 2.743 -4.834 1.00 34.52 C ATOM 300 O ALA A 19 -9.081 2.598 -3.609 1.00 1.43 O ATOM 301 CB ALA A 19 -10.834 1.217 -5.882 1.00 33.34 C ATOM 0 H ALA A 19 -9.003 0.022 -4.382 1.00 2.52 H new ATOM 0 HA ALA A 19 -8.971 1.793 -6.745 1.00 44.33 H new ATOM 0 HB1 ALA A 19 -11.365 2.095 -6.250 1.00 33.34 H new ATOM 0 HB2 ALA A 19 -10.973 0.391 -6.579 1.00 33.34 H new ATOM 0 HB3 ALA A 19 -11.228 0.938 -4.905 1.00 33.34 H new ATOM 307 N ARG A 20 -9.020 3.924 -5.429 1.00 50.55 N ATOM 308 CA ARG A 20 -8.804 5.199 -4.704 1.00 14.12 C ATOM 309 C ARG A 20 -9.928 5.494 -3.684 1.00 41.54 C ATOM 310 O ARG A 20 -9.699 6.124 -2.650 1.00 13.32 O ATOM 311 CB ARG A 20 -8.694 6.349 -5.728 1.00 54.13 C ATOM 312 CG ARG A 20 -8.674 7.764 -5.144 1.00 55.02 C ATOM 313 CD ARG A 20 -7.462 8.038 -4.272 1.00 42.11 C ATOM 314 NE ARG A 20 -7.574 9.346 -3.629 1.00 2.30 N ATOM 315 CZ ARG A 20 -6.579 10.040 -3.073 1.00 52.52 C ATOM 316 NH1 ARG A 20 -5.318 9.666 -3.233 1.00 52.31 N ATOM 317 NH2 ARG A 20 -6.853 11.145 -2.411 1.00 55.12 N ATOM 0 H ARG A 20 -9.075 4.039 -6.441 1.00 50.55 H new ATOM 0 HA ARG A 20 -7.878 5.112 -4.135 1.00 14.12 H new ATOM 0 HB2 ARG A 20 -7.785 6.205 -6.311 1.00 54.13 H new ATOM 0 HB3 ARG A 20 -9.532 6.274 -6.421 1.00 54.13 H new ATOM 0 HG2 ARG A 20 -8.696 8.486 -5.960 1.00 55.02 H new ATOM 0 HG3 ARG A 20 -9.578 7.919 -4.556 1.00 55.02 H new ATOM 0 HD2 ARG A 20 -7.370 7.261 -3.513 1.00 42.11 H new ATOM 0 HD3 ARG A 20 -6.556 8.001 -4.877 1.00 42.11 H new ATOM 0 HE ARG A 20 -8.502 9.769 -3.603 1.00 2.30 H new ATOM 0 HH11 ARG A 20 -5.098 8.838 -3.787 1.00 52.31 H new ATOM 0 HH12 ARG A 20 -4.567 10.206 -2.802 1.00 52.31 H new ATOM 0 HH21 ARG A 20 -7.818 11.463 -2.327 1.00 55.12 H new ATOM 0 HH22 ARG A 20 -6.100 11.683 -1.982 1.00 55.12 H new ATOM 331 N ALA A 21 -11.110 5.034 -3.967 1.00 2.41 N ATOM 332 CA ALA A 21 -12.243 5.277 -3.084 1.00 44.12 C ATOM 333 C ALA A 21 -12.229 4.353 -1.875 1.00 73.14 C ATOM 334 O ALA A 21 -12.964 4.572 -0.906 1.00 70.12 O ATOM 335 CB ALA A 21 -13.551 5.125 -3.839 1.00 31.13 C ATOM 0 H ALA A 21 -11.329 4.487 -4.799 1.00 2.41 H new ATOM 0 HA ALA A 21 -12.155 6.301 -2.722 1.00 44.12 H new ATOM 0 HB1 ALA A 21 -14.385 5.310 -3.162 1.00 31.13 H new ATOM 0 HB2 ALA A 21 -13.583 5.842 -4.659 1.00 31.13 H new ATOM 0 HB3 ALA A 21 -13.625 4.113 -4.238 1.00 31.13 H new ATOM 341 N ASN A 22 -11.391 3.336 -1.913 1.00 53.02 N ATOM 342 CA ASN A 22 -11.369 2.358 -0.846 1.00 54.11 C ATOM 343 C ASN A 22 -10.120 2.500 0.022 1.00 33.34 C ATOM 344 O ASN A 22 -9.990 1.839 1.023 1.00 52.20 O ATOM 345 CB ASN A 22 -11.460 0.954 -1.428 1.00 53.14 C ATOM 346 CG ASN A 22 -11.708 -0.120 -0.376 1.00 5.33 C ATOM 347 OD1 ASN A 22 -12.351 0.111 0.657 1.00 44.22 O ATOM 348 ND2 ASN A 22 -11.188 -1.272 -0.618 1.00 62.34 N ATOM 0 H ASN A 22 -10.722 3.167 -2.664 1.00 53.02 H new ATOM 0 HA ASN A 22 -12.232 2.537 -0.205 1.00 54.11 H new ATOM 0 HB2 ASN A 22 -12.264 0.925 -2.164 1.00 53.14 H new ATOM 0 HB3 ASN A 22 -10.535 0.727 -1.958 1.00 53.14 H new ATOM 0 HD21 ASN A 22 -11.299 -2.033 0.052 1.00 62.34 H new ATOM 0 HD22 ASN A 22 -10.665 -1.424 -1.480 1.00 62.34 H new ATOM 355 N VAL A 23 -9.202 3.368 -0.356 1.00 4.20 N ATOM 356 CA VAL A 23 -8.028 3.569 0.433 1.00 12.14 C ATOM 357 C VAL A 23 -8.302 4.459 1.637 1.00 20.04 C ATOM 358 O VAL A 23 -8.721 5.620 1.515 1.00 70.32 O ATOM 359 CB VAL A 23 -6.838 4.063 -0.398 1.00 2.40 C ATOM 360 CG1 VAL A 23 -6.428 2.990 -1.376 1.00 2.20 C ATOM 361 CG2 VAL A 23 -7.144 5.357 -1.130 1.00 42.43 C ATOM 0 H VAL A 23 -9.256 3.937 -1.201 1.00 4.20 H new ATOM 0 HA VAL A 23 -7.740 2.591 0.820 1.00 12.14 H new ATOM 0 HB VAL A 23 -6.017 4.274 0.287 1.00 2.40 H new ATOM 0 HG11 VAL A 23 -5.582 3.341 -1.967 1.00 2.20 H new ATOM 0 HG12 VAL A 23 -6.142 2.091 -0.831 1.00 2.20 H new ATOM 0 HG13 VAL A 23 -7.264 2.762 -2.038 1.00 2.20 H new ATOM 0 HG21 VAL A 23 -6.270 5.666 -1.704 1.00 42.43 H new ATOM 0 HG22 VAL A 23 -7.986 5.203 -1.805 1.00 42.43 H new ATOM 0 HG23 VAL A 23 -7.396 6.133 -0.407 1.00 42.43 H new ATOM 371 N LYS A 24 -8.097 3.880 2.788 1.00 32.43 N ATOM 372 CA LYS A 24 -8.341 4.499 4.066 1.00 11.44 C ATOM 373 C LYS A 24 -7.139 5.386 4.376 1.00 31.43 C ATOM 374 O LYS A 24 -7.255 6.604 4.447 1.00 70.20 O ATOM 375 CB LYS A 24 -8.465 3.365 5.107 1.00 65.40 C ATOM 376 CG LYS A 24 -9.178 3.620 6.455 1.00 15.14 C ATOM 377 CD LYS A 24 -8.627 4.757 7.312 1.00 23.12 C ATOM 378 CE LYS A 24 -9.131 6.134 6.900 1.00 72.32 C ATOM 379 NZ LYS A 24 -10.587 6.263 7.092 1.00 11.31 N ATOM 0 H LYS A 24 -7.742 2.927 2.867 1.00 32.43 H new ATOM 0 HA LYS A 24 -9.249 5.102 4.076 1.00 11.44 H new ATOM 0 HB2 LYS A 24 -8.979 2.536 4.621 1.00 65.40 H new ATOM 0 HB3 LYS A 24 -7.455 3.024 5.335 1.00 65.40 H new ATOM 0 HG2 LYS A 24 -10.229 3.824 6.252 1.00 15.14 H new ATOM 0 HG3 LYS A 24 -9.139 2.702 7.041 1.00 15.14 H new ATOM 0 HD2 LYS A 24 -8.895 4.578 8.353 1.00 23.12 H new ATOM 0 HD3 LYS A 24 -7.538 4.747 7.257 1.00 23.12 H new ATOM 0 HE2 LYS A 24 -8.618 6.899 7.483 1.00 72.32 H new ATOM 0 HE3 LYS A 24 -8.885 6.313 5.853 1.00 72.32 H new ATOM 0 HZ1 LYS A 24 -10.842 7.270 7.150 1.00 11.31 H new ATOM 0 HZ2 LYS A 24 -11.083 5.826 6.289 1.00 11.31 H new ATOM 0 HZ3 LYS A 24 -10.865 5.784 7.973 1.00 11.31 H new ATOM 393 N HIS A 25 -5.983 4.777 4.548 1.00 74.01 N ATOM 394 CA HIS A 25 -4.794 5.552 4.797 1.00 12.32 C ATOM 395 C HIS A 25 -3.748 5.223 3.767 1.00 71.01 C ATOM 396 O HIS A 25 -3.622 4.065 3.361 1.00 14.04 O ATOM 397 CB HIS A 25 -4.239 5.435 6.278 1.00 21.21 C ATOM 398 CG HIS A 25 -3.546 4.156 6.735 1.00 22.02 C ATOM 399 ND1 HIS A 25 -3.029 4.021 7.998 1.00 0.30 N ATOM 400 CD2 HIS A 25 -3.226 3.017 6.099 1.00 0.30 C ATOM 401 CE1 HIS A 25 -2.423 2.864 8.110 1.00 53.35 C ATOM 402 NE2 HIS A 25 -2.531 2.234 6.978 1.00 15.54 N ATOM 0 H HIS A 25 -5.846 3.767 4.520 1.00 74.01 H new ATOM 0 HA HIS A 25 -5.072 6.601 4.700 1.00 12.32 H new ATOM 0 HB2 HIS A 25 -3.536 6.255 6.426 1.00 21.21 H new ATOM 0 HB3 HIS A 25 -5.077 5.608 6.953 1.00 21.21 H new ATOM 0 HD2 HIS A 25 -3.473 2.765 5.078 1.00 0.30 H new ATOM 0 HE1 HIS A 25 -1.920 2.497 8.992 1.00 53.35 H new ATOM 0 HE2 HIS A 25 -2.158 1.306 6.778 1.00 15.54 H new ATOM 411 N LEU A 26 -3.039 6.220 3.326 1.00 43.13 N ATOM 412 CA LEU A 26 -1.984 6.036 2.355 1.00 34.32 C ATOM 413 C LEU A 26 -0.655 6.105 3.057 1.00 24.02 C ATOM 414 O LEU A 26 -0.409 7.028 3.842 1.00 13.34 O ATOM 415 CB LEU A 26 -2.034 7.099 1.222 1.00 63.04 C ATOM 416 CG LEU A 26 -3.237 7.073 0.246 1.00 65.13 C ATOM 417 CD1 LEU A 26 -3.368 5.721 -0.436 1.00 52.44 C ATOM 418 CD2 LEU A 26 -4.547 7.495 0.914 1.00 40.51 C ATOM 0 H LEU A 26 -3.170 7.186 3.625 1.00 43.13 H new ATOM 0 HA LEU A 26 -2.122 5.060 1.889 1.00 34.32 H new ATOM 0 HB2 LEU A 26 -2.005 8.084 1.688 1.00 63.04 H new ATOM 0 HB3 LEU A 26 -1.124 6.999 0.631 1.00 63.04 H new ATOM 0 HG LEU A 26 -3.030 7.817 -0.524 1.00 65.13 H new ATOM 0 HD11 LEU A 26 -4.221 5.737 -1.114 1.00 52.44 H new ATOM 0 HD12 LEU A 26 -2.460 5.509 -1.001 1.00 52.44 H new ATOM 0 HD13 LEU A 26 -3.517 4.947 0.317 1.00 52.44 H new ATOM 0 HD21 LEU A 26 -5.356 7.458 0.184 1.00 40.51 H new ATOM 0 HD22 LEU A 26 -4.770 6.817 1.738 1.00 40.51 H new ATOM 0 HD23 LEU A 26 -4.449 8.511 1.297 1.00 40.51 H new ATOM 430 N LYS A 27 0.180 5.142 2.813 1.00 31.10 N ATOM 431 CA LYS A 27 1.477 5.108 3.406 1.00 34.43 C ATOM 432 C LYS A 27 2.437 4.534 2.373 1.00 74.20 C ATOM 433 O LYS A 27 2.192 3.479 1.841 1.00 62.33 O ATOM 434 CB LYS A 27 1.417 4.211 4.666 1.00 10.30 C ATOM 435 CG LYS A 27 2.634 4.293 5.566 1.00 50.24 C ATOM 436 CD LYS A 27 2.796 5.702 6.143 1.00 12.11 C ATOM 437 CE LYS A 27 1.546 6.138 6.918 1.00 13.13 C ATOM 438 NZ LYS A 27 1.706 7.484 7.504 1.00 52.10 N ATOM 0 H LYS A 27 -0.022 4.356 2.195 1.00 31.10 H new ATOM 0 HA LYS A 27 1.815 6.101 3.704 1.00 34.43 H new ATOM 0 HB2 LYS A 27 0.535 4.483 5.246 1.00 10.30 H new ATOM 0 HB3 LYS A 27 1.285 3.176 4.351 1.00 10.30 H new ATOM 0 HG2 LYS A 27 2.539 3.572 6.378 1.00 50.24 H new ATOM 0 HG3 LYS A 27 3.527 4.022 5.002 1.00 50.24 H new ATOM 0 HD2 LYS A 27 3.663 5.729 6.803 1.00 12.11 H new ATOM 0 HD3 LYS A 27 2.989 6.408 5.335 1.00 12.11 H new ATOM 0 HE2 LYS A 27 0.684 6.132 6.251 1.00 13.13 H new ATOM 0 HE3 LYS A 27 1.340 5.419 7.711 1.00 13.13 H new ATOM 0 HZ1 LYS A 27 0.841 7.743 8.020 1.00 52.10 H new ATOM 0 HZ2 LYS A 27 2.513 7.483 8.160 1.00 52.10 H new ATOM 0 HZ3 LYS A 27 1.877 8.175 6.746 1.00 52.10 H new ATOM 452 N ILE A 28 3.491 5.228 2.059 1.00 13.32 N ATOM 453 CA ILE A 28 4.424 4.727 1.065 1.00 54.40 C ATOM 454 C ILE A 28 5.821 4.669 1.642 1.00 71.20 C ATOM 455 O ILE A 28 6.302 5.650 2.231 1.00 52.33 O ATOM 456 CB ILE A 28 4.422 5.576 -0.244 1.00 60.43 C ATOM 457 CG1 ILE A 28 3.014 5.611 -0.857 1.00 13.42 C ATOM 458 CG2 ILE A 28 5.409 4.995 -1.247 1.00 33.11 C ATOM 459 CD1 ILE A 28 2.915 6.354 -2.175 1.00 5.50 C ATOM 0 H ILE A 28 3.734 6.132 2.464 1.00 13.32 H new ATOM 0 HA ILE A 28 4.094 3.723 0.797 1.00 54.40 H new ATOM 0 HB ILE A 28 4.723 6.594 0.003 1.00 60.43 H new ATOM 0 HG12 ILE A 28 2.672 4.587 -1.006 1.00 13.42 H new ATOM 0 HG13 ILE A 28 2.333 6.074 -0.143 1.00 13.42 H new ATOM 0 HG21 ILE A 28 5.399 5.595 -2.157 1.00 33.11 H new ATOM 0 HG22 ILE A 28 6.411 5.003 -0.818 1.00 33.11 H new ATOM 0 HG23 ILE A 28 5.124 3.970 -1.486 1.00 33.11 H new ATOM 0 HD11 ILE A 28 1.885 6.326 -2.532 1.00 5.50 H new ATOM 0 HD12 ILE A 28 3.222 7.390 -2.033 1.00 5.50 H new ATOM 0 HD13 ILE A 28 3.566 5.880 -2.910 1.00 5.50 H new ATOM 471 N LEU A 29 6.463 3.544 1.488 1.00 14.51 N ATOM 472 CA LEU A 29 7.771 3.357 2.022 1.00 24.42 C ATOM 473 C LEU A 29 8.791 3.181 0.894 1.00 53.23 C ATOM 474 O LEU A 29 8.602 2.385 -0.029 1.00 73.41 O ATOM 475 CB LEU A 29 7.769 2.181 3.011 1.00 53.14 C ATOM 476 CG LEU A 29 9.076 1.887 3.761 1.00 43.34 C ATOM 477 CD1 LEU A 29 9.594 3.137 4.452 1.00 61.53 C ATOM 478 CD2 LEU A 29 8.833 0.815 4.799 1.00 62.04 C ATOM 0 H LEU A 29 6.090 2.737 0.989 1.00 14.51 H new ATOM 0 HA LEU A 29 8.071 4.246 2.577 1.00 24.42 H new ATOM 0 HB2 LEU A 29 6.990 2.364 3.751 1.00 53.14 H new ATOM 0 HB3 LEU A 29 7.484 1.282 2.465 1.00 53.14 H new ATOM 0 HG LEU A 29 9.819 1.549 3.038 1.00 43.34 H new ATOM 0 HD11 LEU A 29 10.521 2.905 4.977 1.00 61.53 H new ATOM 0 HD12 LEU A 29 9.782 3.912 3.709 1.00 61.53 H new ATOM 0 HD13 LEU A 29 8.851 3.492 5.166 1.00 61.53 H new ATOM 0 HD21 LEU A 29 9.761 0.607 5.331 1.00 62.04 H new ATOM 0 HD22 LEU A 29 8.078 1.158 5.507 1.00 62.04 H new ATOM 0 HD23 LEU A 29 8.484 -0.094 4.309 1.00 62.04 H new ATOM 490 N ASN A 30 9.839 3.952 0.963 1.00 14.13 N ATOM 491 CA ASN A 30 10.904 3.911 -0.017 1.00 65.41 C ATOM 492 C ASN A 30 12.032 3.093 0.551 1.00 52.11 C ATOM 493 O ASN A 30 12.612 3.466 1.578 1.00 33.01 O ATOM 494 CB ASN A 30 11.429 5.335 -0.314 1.00 54.13 C ATOM 495 CG ASN A 30 10.386 6.282 -0.882 1.00 62.43 C ATOM 496 OD1 ASN A 30 10.224 6.393 -2.094 1.00 35.33 O ATOM 497 ND2 ASN A 30 9.690 6.983 -0.020 1.00 1.41 N ATOM 0 H ASN A 30 9.986 4.636 1.706 1.00 14.13 H new ATOM 0 HA ASN A 30 10.525 3.476 -0.942 1.00 65.41 H new ATOM 0 HB2 ASN A 30 11.827 5.762 0.607 1.00 54.13 H new ATOM 0 HB3 ASN A 30 12.259 5.264 -1.017 1.00 54.13 H new ATOM 0 HD21 ASN A 30 8.988 7.646 -0.350 1.00 1.41 H new ATOM 0 HD22 ASN A 30 9.850 6.866 0.980 1.00 1.41 H new ATOM 504 N THR A 31 12.344 1.977 -0.060 1.00 54.40 N ATOM 505 CA THR A 31 13.407 1.174 0.440 1.00 13.24 C ATOM 506 C THR A 31 14.667 1.477 -0.381 1.00 60.10 C ATOM 507 O THR A 31 14.574 1.644 -1.591 1.00 13.20 O ATOM 508 CB THR A 31 13.057 -0.294 0.257 1.00 43.41 C ATOM 509 OG1 THR A 31 11.710 -0.492 0.591 1.00 31.53 O ATOM 510 CG2 THR A 31 13.868 -1.156 1.179 1.00 24.14 C ATOM 0 H THR A 31 11.878 1.616 -0.893 1.00 54.40 H new ATOM 0 HA THR A 31 13.571 1.388 1.496 1.00 13.24 H new ATOM 0 HB THR A 31 13.260 -0.560 -0.780 1.00 43.41 H new ATOM 0 HG1 THR A 31 11.589 -1.401 0.937 1.00 31.53 H new ATOM 0 HG21 THR A 31 13.600 -2.202 1.029 1.00 24.14 H new ATOM 0 HG22 THR A 31 14.928 -1.019 0.966 1.00 24.14 H new ATOM 0 HG23 THR A 31 13.666 -0.874 2.212 1.00 24.14 H new ATOM 518 N PRO A 32 15.850 1.573 0.250 1.00 62.51 N ATOM 519 CA PRO A 32 17.111 1.798 -0.477 1.00 43.35 C ATOM 520 C PRO A 32 17.504 0.554 -1.269 1.00 63.13 C ATOM 521 O PRO A 32 18.168 0.621 -2.297 1.00 43.41 O ATOM 522 CB PRO A 32 18.137 2.005 0.660 1.00 74.44 C ATOM 523 CG PRO A 32 17.317 2.314 1.863 1.00 64.43 C ATOM 524 CD PRO A 32 16.078 1.510 1.707 1.00 35.51 C ATOM 0 HA PRO A 32 17.046 2.626 -1.183 1.00 43.35 H new ATOM 0 HB2 PRO A 32 18.743 1.112 0.813 1.00 74.44 H new ATOM 0 HB3 PRO A 32 18.823 2.820 0.430 1.00 74.44 H new ATOM 0 HG2 PRO A 32 17.846 2.049 2.779 1.00 64.43 H new ATOM 0 HG3 PRO A 32 17.091 3.379 1.922 1.00 64.43 H new ATOM 0 HD2 PRO A 32 16.210 0.486 2.055 1.00 35.51 H new ATOM 0 HD3 PRO A 32 15.245 1.932 2.269 1.00 35.51 H new ATOM 532 N ASN A 33 17.049 -0.566 -0.781 1.00 11.13 N ATOM 533 CA ASN A 33 17.431 -1.865 -1.294 1.00 24.13 C ATOM 534 C ASN A 33 16.257 -2.623 -1.864 1.00 63.35 C ATOM 535 O ASN A 33 16.367 -3.802 -2.185 1.00 32.01 O ATOM 536 CB ASN A 33 18.051 -2.636 -0.154 1.00 75.00 C ATOM 537 CG ASN A 33 19.363 -2.033 0.281 1.00 2.50 C ATOM 538 OD1 ASN A 33 20.180 -1.648 -0.540 1.00 5.04 O ATOM 539 ND2 ASN A 33 19.518 -1.826 1.547 1.00 71.40 N ATOM 0 H ASN A 33 16.391 -0.610 -0.003 1.00 11.13 H new ATOM 0 HA ASN A 33 18.138 -1.735 -2.114 1.00 24.13 H new ATOM 0 HB2 ASN A 33 17.362 -2.654 0.690 1.00 75.00 H new ATOM 0 HB3 ASN A 33 18.209 -3.671 -0.458 1.00 75.00 H new ATOM 0 HD21 ASN A 33 20.341 -1.328 1.885 1.00 71.40 H new ATOM 0 HD22 ASN A 33 18.817 -2.160 2.208 1.00 71.40 H new ATOM 546 N CYS A 34 15.138 -1.970 -1.980 1.00 42.11 N ATOM 547 CA CYS A 34 13.978 -2.605 -2.547 1.00 2.51 C ATOM 548 C CYS A 34 13.278 -1.607 -3.415 1.00 62.24 C ATOM 549 O CYS A 34 13.681 -0.437 -3.468 1.00 0.33 O ATOM 550 CB CYS A 34 13.023 -3.157 -1.478 1.00 71.00 C ATOM 551 SG CYS A 34 11.848 -4.391 -2.108 1.00 50.40 S ATOM 0 H CYS A 34 15.001 -1.001 -1.692 1.00 42.11 H new ATOM 0 HA CYS A 34 14.303 -3.465 -3.133 1.00 2.51 H new ATOM 0 HB2 CYS A 34 13.610 -3.605 -0.676 1.00 71.00 H new ATOM 0 HB3 CYS A 34 12.465 -2.329 -1.040 1.00 71.00 H new ATOM 556 N ALA A 35 12.260 -2.047 -4.086 1.00 13.30 N ATOM 557 CA ALA A 35 11.469 -1.205 -4.922 1.00 52.21 C ATOM 558 C ALA A 35 10.588 -0.312 -4.058 1.00 45.42 C ATOM 559 O ALA A 35 10.675 -0.328 -2.818 1.00 31.34 O ATOM 560 CB ALA A 35 10.619 -2.057 -5.859 1.00 1.52 C ATOM 0 H ALA A 35 11.951 -3.019 -4.067 1.00 13.30 H new ATOM 0 HA ALA A 35 12.120 -0.574 -5.527 1.00 52.21 H new ATOM 0 HB1 ALA A 35 10.017 -1.408 -6.495 1.00 1.52 H new ATOM 0 HB2 ALA A 35 11.269 -2.673 -6.481 1.00 1.52 H new ATOM 0 HB3 ALA A 35 9.963 -2.700 -5.272 1.00 1.52 H new ATOM 566 N LEU A 36 9.761 0.445 -4.688 1.00 55.34 N ATOM 567 CA LEU A 36 8.880 1.346 -4.002 1.00 62.01 C ATOM 568 C LEU A 36 7.641 0.573 -3.528 1.00 11.11 C ATOM 569 O LEU A 36 6.813 0.162 -4.348 1.00 34.31 O ATOM 570 CB LEU A 36 8.526 2.511 -4.986 1.00 75.52 C ATOM 571 CG LEU A 36 7.674 3.704 -4.486 1.00 62.41 C ATOM 572 CD1 LEU A 36 6.225 3.333 -4.249 1.00 4.42 C ATOM 573 CD2 LEU A 36 8.277 4.290 -3.233 1.00 3.30 C ATOM 0 H LEU A 36 9.670 0.463 -5.704 1.00 55.34 H new ATOM 0 HA LEU A 36 9.346 1.776 -3.115 1.00 62.01 H new ATOM 0 HB2 LEU A 36 9.465 2.916 -5.362 1.00 75.52 H new ATOM 0 HB3 LEU A 36 8.005 2.072 -5.837 1.00 75.52 H new ATOM 0 HG LEU A 36 7.683 4.452 -5.279 1.00 62.41 H new ATOM 0 HD11 LEU A 36 5.678 4.209 -3.900 1.00 4.42 H new ATOM 0 HD12 LEU A 36 5.784 2.977 -5.180 1.00 4.42 H new ATOM 0 HD13 LEU A 36 6.169 2.546 -3.496 1.00 4.42 H new ATOM 0 HD21 LEU A 36 7.668 5.127 -2.893 1.00 3.30 H new ATOM 0 HD22 LEU A 36 8.312 3.527 -2.455 1.00 3.30 H new ATOM 0 HD23 LEU A 36 9.288 4.639 -3.444 1.00 3.30 H new ATOM 585 N GLN A 37 7.534 0.316 -2.222 1.00 33.15 N ATOM 586 CA GLN A 37 6.341 -0.356 -1.736 1.00 42.21 C ATOM 587 C GLN A 37 5.364 0.601 -1.073 1.00 21.01 C ATOM 588 O GLN A 37 5.723 1.402 -0.202 1.00 2.14 O ATOM 589 CB GLN A 37 6.593 -1.599 -0.840 1.00 60.41 C ATOM 590 CG GLN A 37 7.247 -1.365 0.522 1.00 11.20 C ATOM 591 CD GLN A 37 8.668 -0.923 0.459 1.00 53.14 C ATOM 592 OE1 GLN A 37 9.136 -0.198 1.313 1.00 2.35 O ATOM 593 NE2 GLN A 37 9.379 -1.397 -0.517 1.00 64.21 N ATOM 0 H GLN A 37 8.229 0.553 -1.514 1.00 33.15 H new ATOM 0 HA GLN A 37 5.885 -0.747 -2.645 1.00 42.21 H new ATOM 0 HB2 GLN A 37 5.636 -2.093 -0.673 1.00 60.41 H new ATOM 0 HB3 GLN A 37 7.218 -2.295 -1.399 1.00 60.41 H new ATOM 0 HG2 GLN A 37 6.670 -0.615 1.063 1.00 11.20 H new ATOM 0 HG3 GLN A 37 7.192 -2.287 1.100 1.00 11.20 H new ATOM 0 HE21 GLN A 37 8.948 -2.003 -1.215 1.00 64.21 H new ATOM 0 HE22 GLN A 37 10.369 -1.163 -0.587 1.00 64.21 H new ATOM 602 N ILE A 38 4.151 0.518 -1.503 1.00 13.32 N ATOM 603 CA ILE A 38 3.066 1.312 -0.987 1.00 23.34 C ATOM 604 C ILE A 38 2.270 0.439 -0.019 1.00 20.44 C ATOM 605 O ILE A 38 2.149 -0.750 -0.247 1.00 72.32 O ATOM 606 CB ILE A 38 2.143 1.733 -2.150 1.00 23.22 C ATOM 607 CG1 ILE A 38 2.921 2.520 -3.209 1.00 60.50 C ATOM 608 CG2 ILE A 38 0.924 2.524 -1.656 1.00 25.42 C ATOM 609 CD1 ILE A 38 2.117 2.833 -4.453 1.00 4.42 C ATOM 0 H ILE A 38 3.869 -0.121 -2.246 1.00 13.32 H new ATOM 0 HA ILE A 38 3.449 2.202 -0.487 1.00 23.34 H new ATOM 0 HB ILE A 38 1.767 0.821 -2.613 1.00 23.22 H new ATOM 0 HG12 ILE A 38 3.271 3.454 -2.769 1.00 60.50 H new ATOM 0 HG13 ILE A 38 3.806 1.951 -3.494 1.00 60.50 H new ATOM 0 HG21 ILE A 38 0.301 2.801 -2.506 1.00 25.42 H new ATOM 0 HG22 ILE A 38 0.345 1.908 -0.967 1.00 25.42 H new ATOM 0 HG23 ILE A 38 1.259 3.426 -1.143 1.00 25.42 H new ATOM 0 HD11 ILE A 38 2.736 3.392 -5.155 1.00 4.42 H new ATOM 0 HD12 ILE A 38 1.789 1.903 -4.918 1.00 4.42 H new ATOM 0 HD13 ILE A 38 1.246 3.430 -4.183 1.00 4.42 H new ATOM 621 N VAL A 39 1.798 1.004 1.058 1.00 64.11 N ATOM 622 CA VAL A 39 0.956 0.299 2.011 1.00 54.05 C ATOM 623 C VAL A 39 -0.312 1.124 2.244 1.00 4.10 C ATOM 624 O VAL A 39 -0.248 2.314 2.544 1.00 40.13 O ATOM 625 CB VAL A 39 1.668 0.071 3.379 1.00 31.44 C ATOM 626 CG1 VAL A 39 0.784 -0.733 4.333 1.00 54.24 C ATOM 627 CG2 VAL A 39 3.021 -0.612 3.201 1.00 34.34 C ATOM 0 H VAL A 39 1.983 1.975 1.310 1.00 64.11 H new ATOM 0 HA VAL A 39 0.725 -0.681 1.593 1.00 54.05 H new ATOM 0 HB VAL A 39 1.844 1.053 3.818 1.00 31.44 H new ATOM 0 HG11 VAL A 39 1.306 -0.877 5.279 1.00 54.24 H new ATOM 0 HG12 VAL A 39 -0.146 -0.192 4.510 1.00 54.24 H new ATOM 0 HG13 VAL A 39 0.560 -1.704 3.891 1.00 54.24 H new ATOM 0 HG21 VAL A 39 3.488 -0.754 4.176 1.00 34.34 H new ATOM 0 HG22 VAL A 39 2.879 -1.581 2.721 1.00 34.34 H new ATOM 0 HG23 VAL A 39 3.664 0.010 2.578 1.00 34.34 H new ATOM 637 N ALA A 40 -1.437 0.512 2.093 1.00 75.43 N ATOM 638 CA ALA A 40 -2.695 1.191 2.261 1.00 75.34 C ATOM 639 C ALA A 40 -3.659 0.311 2.961 1.00 22.52 C ATOM 640 O ALA A 40 -3.607 -0.904 2.833 1.00 62.14 O ATOM 641 CB ALA A 40 -3.265 1.567 0.924 1.00 21.13 C ATOM 0 H ALA A 40 -1.520 -0.475 1.849 1.00 75.43 H new ATOM 0 HA ALA A 40 -2.522 2.091 2.851 1.00 75.34 H new ATOM 0 HB1 ALA A 40 -4.216 2.080 1.065 1.00 21.13 H new ATOM 0 HB2 ALA A 40 -2.570 2.227 0.405 1.00 21.13 H new ATOM 0 HB3 ALA A 40 -3.423 0.667 0.330 1.00 21.13 H new ATOM 647 N ARG A 41 -4.529 0.898 3.709 1.00 12.20 N ATOM 648 CA ARG A 41 -5.546 0.134 4.347 1.00 33.44 C ATOM 649 C ARG A 41 -6.802 0.420 3.623 1.00 34.40 C ATOM 650 O ARG A 41 -6.982 1.520 3.140 1.00 74.23 O ATOM 651 CB ARG A 41 -5.678 0.465 5.832 1.00 73.32 C ATOM 652 CG ARG A 41 -6.514 -0.543 6.620 1.00 15.33 C ATOM 653 CD ARG A 41 -6.290 -0.359 8.091 1.00 71.50 C ATOM 654 NE ARG A 41 -7.043 -1.298 8.927 1.00 53.32 N ATOM 655 CZ ARG A 41 -7.120 -1.214 10.269 1.00 10.30 C ATOM 656 NH1 ARG A 41 -6.522 -0.207 10.919 1.00 10.40 N ATOM 657 NH2 ARG A 41 -7.800 -2.127 10.952 1.00 22.43 N ATOM 0 H ARG A 41 -4.557 1.901 3.894 1.00 12.20 H new ATOM 0 HA ARG A 41 -5.298 -0.927 4.309 1.00 33.44 H new ATOM 0 HB2 ARG A 41 -4.682 0.519 6.272 1.00 73.32 H new ATOM 0 HB3 ARG A 41 -6.126 1.453 5.935 1.00 73.32 H new ATOM 0 HG2 ARG A 41 -7.571 -0.413 6.386 1.00 15.33 H new ATOM 0 HG3 ARG A 41 -6.245 -1.558 6.327 1.00 15.33 H new ATOM 0 HD2 ARG A 41 -5.227 -0.470 8.304 1.00 71.50 H new ATOM 0 HD3 ARG A 41 -6.565 0.659 8.366 1.00 71.50 H new ATOM 0 HE ARG A 41 -7.538 -2.061 8.465 1.00 53.32 H new ATOM 0 HH11 ARG A 41 -6.005 0.501 10.398 1.00 10.40 H new ATOM 0 HH12 ARG A 41 -6.584 -0.148 11.935 1.00 10.40 H new ATOM 0 HH21 ARG A 41 -8.263 -2.891 10.460 1.00 22.43 H new ATOM 0 HH22 ARG A 41 -7.859 -2.064 11.968 1.00 22.43 H new ATOM 671 N LEU A 42 -7.625 -0.541 3.500 1.00 20.42 N ATOM 672 CA LEU A 42 -8.857 -0.378 2.811 1.00 52.14 C ATOM 673 C LEU A 42 -9.937 0.036 3.786 1.00 13.34 C ATOM 674 O LEU A 42 -9.943 -0.409 4.914 1.00 53.41 O ATOM 675 CB LEU A 42 -9.208 -1.680 2.111 1.00 34.51 C ATOM 676 CG LEU A 42 -8.159 -2.186 1.106 1.00 21.42 C ATOM 677 CD1 LEU A 42 -8.575 -3.496 0.495 1.00 53.43 C ATOM 678 CD2 LEU A 42 -7.885 -1.151 0.024 1.00 40.13 C ATOM 0 H LEU A 42 -7.470 -1.477 3.875 1.00 20.42 H new ATOM 0 HA LEU A 42 -8.769 0.407 2.059 1.00 52.14 H new ATOM 0 HB2 LEU A 42 -9.365 -2.450 2.867 1.00 34.51 H new ATOM 0 HB3 LEU A 42 -10.155 -1.549 1.588 1.00 34.51 H new ATOM 0 HG LEU A 42 -7.233 -2.350 1.657 1.00 21.42 H new ATOM 0 HD11 LEU A 42 -7.813 -3.827 -0.211 1.00 53.43 H new ATOM 0 HD12 LEU A 42 -8.691 -4.243 1.280 1.00 53.43 H new ATOM 0 HD13 LEU A 42 -9.523 -3.369 -0.028 1.00 53.43 H new ATOM 0 HD21 LEU A 42 -7.140 -1.539 -0.670 1.00 40.13 H new ATOM 0 HD22 LEU A 42 -8.807 -0.937 -0.516 1.00 40.13 H new ATOM 0 HD23 LEU A 42 -7.512 -0.235 0.483 1.00 40.13 H new ATOM 690 N LYS A 43 -10.813 0.901 3.359 1.00 34.42 N ATOM 691 CA LYS A 43 -11.905 1.380 4.177 1.00 44.22 C ATOM 692 C LYS A 43 -12.935 0.270 4.364 1.00 64.40 C ATOM 693 O LYS A 43 -13.201 -0.175 5.477 1.00 51.25 O ATOM 694 CB LYS A 43 -12.583 2.569 3.482 1.00 22.15 C ATOM 695 CG LYS A 43 -11.660 3.744 3.211 1.00 30.21 C ATOM 696 CD LYS A 43 -12.375 4.893 2.510 1.00 25.42 C ATOM 697 CE LYS A 43 -13.492 5.464 3.369 1.00 4.11 C ATOM 698 NZ LYS A 43 -14.146 6.628 2.735 1.00 74.32 N ATOM 0 H LYS A 43 -10.794 1.302 2.421 1.00 34.42 H new ATOM 0 HA LYS A 43 -11.514 1.688 5.147 1.00 44.22 H new ATOM 0 HB2 LYS A 43 -13.006 2.229 2.537 1.00 22.15 H new ATOM 0 HB3 LYS A 43 -13.414 2.910 4.099 1.00 22.15 H new ATOM 0 HG2 LYS A 43 -11.243 4.100 4.153 1.00 30.21 H new ATOM 0 HG3 LYS A 43 -10.823 3.411 2.597 1.00 30.21 H new ATOM 0 HD2 LYS A 43 -11.658 5.679 2.275 1.00 25.42 H new ATOM 0 HD3 LYS A 43 -12.786 4.543 1.563 1.00 25.42 H new ATOM 0 HE2 LYS A 43 -14.236 4.689 3.557 1.00 4.11 H new ATOM 0 HE3 LYS A 43 -13.088 5.759 4.337 1.00 4.11 H new ATOM 0 HZ1 LYS A 43 -14.900 6.983 3.356 1.00 74.32 H new ATOM 0 HZ2 LYS A 43 -13.443 7.379 2.579 1.00 74.32 H new ATOM 0 HZ3 LYS A 43 -14.555 6.342 1.823 1.00 74.32 H new ATOM 712 N ASN A 44 -13.469 -0.197 3.253 1.00 61.43 N ATOM 713 CA ASN A 44 -14.538 -1.191 3.252 1.00 73.20 C ATOM 714 C ASN A 44 -14.030 -2.566 3.664 1.00 71.12 C ATOM 715 O ASN A 44 -14.734 -3.330 4.327 1.00 3.34 O ATOM 716 CB ASN A 44 -15.204 -1.246 1.864 1.00 53.15 C ATOM 717 CG ASN A 44 -16.344 -2.255 1.766 1.00 72.22 C ATOM 718 OD1 ASN A 44 -16.139 -3.421 1.407 1.00 44.22 O ATOM 719 ND2 ASN A 44 -17.539 -1.819 2.073 1.00 31.03 N ATOM 0 H ASN A 44 -13.178 0.099 2.321 1.00 61.43 H new ATOM 0 HA ASN A 44 -15.281 -0.889 3.990 1.00 73.20 H new ATOM 0 HB2 ASN A 44 -15.586 -0.256 1.615 1.00 53.15 H new ATOM 0 HB3 ASN A 44 -14.448 -1.493 1.118 1.00 53.15 H new ATOM 0 HD21 ASN A 44 -18.340 -2.448 2.020 1.00 31.03 H new ATOM 0 HD22 ASN A 44 -17.669 -0.850 2.365 1.00 31.03 H new ATOM 726 N ASN A 45 -12.808 -2.872 3.297 1.00 54.21 N ATOM 727 CA ASN A 45 -12.252 -4.188 3.591 1.00 50.15 C ATOM 728 C ASN A 45 -11.443 -4.169 4.906 1.00 3.24 C ATOM 729 O ASN A 45 -11.262 -5.196 5.545 1.00 11.40 O ATOM 730 CB ASN A 45 -11.416 -4.681 2.395 1.00 11.14 C ATOM 731 CG ASN A 45 -10.953 -6.126 2.503 1.00 54.45 C ATOM 732 OD1 ASN A 45 -9.870 -6.455 1.833 1.00 61.14 O flip ATOM 733 ND2 ASN A 45 -11.589 -6.948 3.145 1.00 42.01 N flip ATOM 0 H ASN A 45 -12.179 -2.241 2.799 1.00 54.21 H new ATOM 0 HA ASN A 45 -13.068 -4.895 3.741 1.00 50.15 H new ATOM 0 HB2 ASN A 45 -12.005 -4.568 1.485 1.00 11.14 H new ATOM 0 HB3 ASN A 45 -10.541 -4.039 2.290 1.00 11.14 H new ATOM 0 HD21 ASN A 45 -12.425 -6.661 3.654 1.00 42.01 H new ATOM 0 HD22 ASN A 45 -11.284 -7.921 3.172 1.00 42.01 H new ATOM 740 N ASN A 46 -10.960 -2.973 5.295 1.00 54.25 N ATOM 741 CA ASN A 46 -10.225 -2.736 6.589 1.00 13.14 C ATOM 742 C ASN A 46 -8.894 -3.502 6.665 1.00 11.15 C ATOM 743 O ASN A 46 -8.215 -3.517 7.686 1.00 30.04 O ATOM 744 CB ASN A 46 -11.171 -3.023 7.798 1.00 23.53 C ATOM 745 CG ASN A 46 -10.571 -2.734 9.170 1.00 32.31 C ATOM 746 OD1 ASN A 46 -9.981 -3.613 9.813 1.00 74.42 O ATOM 747 ND2 ASN A 46 -10.708 -1.516 9.627 1.00 54.20 N ATOM 0 H ASN A 46 -11.060 -2.130 4.730 1.00 54.25 H new ATOM 0 HA ASN A 46 -9.940 -1.685 6.633 1.00 13.14 H new ATOM 0 HB2 ASN A 46 -12.076 -2.427 7.681 1.00 23.53 H new ATOM 0 HB3 ASN A 46 -11.472 -4.070 7.763 1.00 23.53 H new ATOM 0 HD21 ASN A 46 -10.323 -1.267 10.538 1.00 54.20 H new ATOM 0 HD22 ASN A 46 -11.200 -0.815 9.072 1.00 54.20 H new ATOM 754 N ARG A 47 -8.490 -4.062 5.570 1.00 45.03 N ATOM 755 CA ARG A 47 -7.249 -4.775 5.530 1.00 31.11 C ATOM 756 C ARG A 47 -6.188 -3.858 5.060 1.00 5.50 C ATOM 757 O ARG A 47 -6.476 -2.875 4.375 1.00 22.11 O ATOM 758 CB ARG A 47 -7.298 -5.961 4.606 1.00 30.04 C ATOM 759 CG ARG A 47 -8.275 -7.039 4.978 1.00 24.34 C ATOM 760 CD ARG A 47 -8.068 -8.202 4.059 1.00 54.44 C ATOM 761 NE ARG A 47 -6.755 -8.823 4.268 1.00 34.05 N ATOM 762 CZ ARG A 47 -5.997 -9.361 3.304 1.00 50.34 C ATOM 763 NH1 ARG A 47 -6.431 -9.395 2.045 1.00 24.10 N ATOM 764 NH2 ARG A 47 -4.802 -9.865 3.604 1.00 13.32 N ATOM 0 H ARG A 47 -9.001 -4.041 4.688 1.00 45.03 H new ATOM 0 HA ARG A 47 -7.046 -5.142 6.536 1.00 31.11 H new ATOM 0 HB2 ARG A 47 -7.540 -5.607 3.604 1.00 30.04 H new ATOM 0 HB3 ARG A 47 -6.302 -6.401 4.557 1.00 30.04 H new ATOM 0 HG2 ARG A 47 -8.127 -7.343 6.014 1.00 24.34 H new ATOM 0 HG3 ARG A 47 -9.297 -6.669 4.897 1.00 24.34 H new ATOM 0 HD2 ARG A 47 -8.852 -8.941 4.223 1.00 54.44 H new ATOM 0 HD3 ARG A 47 -8.155 -7.870 3.024 1.00 54.44 H new ATOM 0 HE ARG A 47 -6.392 -8.847 5.221 1.00 34.05 H new ATOM 0 HH11 ARG A 47 -7.346 -9.010 1.810 1.00 24.10 H new ATOM 0 HH12 ARG A 47 -5.848 -9.806 1.316 1.00 24.10 H new ATOM 0 HH21 ARG A 47 -4.465 -9.841 4.567 1.00 13.32 H new ATOM 0 HH22 ARG A 47 -4.223 -10.275 2.871 1.00 13.32 H new ATOM 778 N GLN A 48 -4.989 -4.160 5.394 1.00 73.44 N ATOM 779 CA GLN A 48 -3.914 -3.361 5.009 1.00 63.44 C ATOM 780 C GLN A 48 -3.107 -4.123 3.987 1.00 65.03 C ATOM 781 O GLN A 48 -2.600 -5.216 4.263 1.00 30.11 O ATOM 782 CB GLN A 48 -3.084 -2.962 6.214 1.00 61.12 C ATOM 783 CG GLN A 48 -2.141 -1.882 5.893 1.00 72.44 C ATOM 784 CD GLN A 48 -1.458 -1.273 7.098 1.00 33.31 C ATOM 785 OE1 GLN A 48 -1.128 -0.091 7.085 1.00 22.22 O ATOM 786 NE2 GLN A 48 -1.243 -2.046 8.131 1.00 51.22 N ATOM 0 H GLN A 48 -4.736 -4.978 5.947 1.00 73.44 H new ATOM 0 HA GLN A 48 -4.268 -2.433 4.561 1.00 63.44 H new ATOM 0 HB2 GLN A 48 -3.744 -2.641 7.020 1.00 61.12 H new ATOM 0 HB3 GLN A 48 -2.533 -3.829 6.579 1.00 61.12 H new ATOM 0 HG2 GLN A 48 -1.380 -2.270 5.216 1.00 72.44 H new ATOM 0 HG3 GLN A 48 -2.675 -1.097 5.357 1.00 72.44 H new ATOM 0 HE21 GLN A 48 -1.532 -3.024 8.105 1.00 51.22 H new ATOM 0 HE22 GLN A 48 -0.787 -1.671 8.963 1.00 51.22 H new ATOM 795 N VAL A 49 -3.021 -3.574 2.820 1.00 34.01 N ATOM 796 CA VAL A 49 -2.387 -4.218 1.703 1.00 23.11 C ATOM 797 C VAL A 49 -1.254 -3.384 1.166 1.00 14.35 C ATOM 798 O VAL A 49 -1.182 -2.176 1.415 1.00 53.15 O ATOM 799 CB VAL A 49 -3.405 -4.493 0.556 1.00 41.32 C ATOM 800 CG1 VAL A 49 -4.468 -5.491 0.998 1.00 22.03 C ATOM 801 CG2 VAL A 49 -4.067 -3.192 0.089 1.00 15.12 C ATOM 0 H VAL A 49 -3.394 -2.649 2.606 1.00 34.01 H new ATOM 0 HA VAL A 49 -1.993 -5.168 2.066 1.00 23.11 H new ATOM 0 HB VAL A 49 -2.853 -4.922 -0.280 1.00 41.32 H new ATOM 0 HG11 VAL A 49 -5.166 -5.666 0.179 1.00 22.03 H new ATOM 0 HG12 VAL A 49 -3.991 -6.431 1.275 1.00 22.03 H new ATOM 0 HG13 VAL A 49 -5.008 -5.091 1.856 1.00 22.03 H new ATOM 0 HG21 VAL A 49 -4.773 -3.410 -0.712 1.00 15.12 H new ATOM 0 HG22 VAL A 49 -4.596 -2.733 0.924 1.00 15.12 H new ATOM 0 HG23 VAL A 49 -3.303 -2.506 -0.278 1.00 15.12 H new ATOM 811 N CYS A 50 -0.375 -4.018 0.450 1.00 21.51 N ATOM 812 CA CYS A 50 0.696 -3.332 -0.197 1.00 4.30 C ATOM 813 C CYS A 50 0.186 -2.958 -1.571 1.00 72.21 C ATOM 814 O CYS A 50 -0.636 -3.660 -2.120 1.00 55.43 O ATOM 815 CB CYS A 50 1.917 -4.242 -0.303 1.00 42.44 C ATOM 816 SG CYS A 50 2.391 -5.008 1.311 1.00 13.22 S ATOM 0 H CYS A 50 -0.382 -5.027 0.299 1.00 21.51 H new ATOM 0 HA CYS A 50 1.003 -2.448 0.362 1.00 4.30 H new ATOM 0 HB2 CYS A 50 1.713 -5.031 -1.027 1.00 42.44 H new ATOM 0 HB3 CYS A 50 2.759 -3.667 -0.687 1.00 42.44 H new ATOM 821 N ILE A 51 0.624 -1.874 -2.106 1.00 61.40 N ATOM 822 CA ILE A 51 0.114 -1.426 -3.368 1.00 64.05 C ATOM 823 C ILE A 51 1.172 -1.328 -4.432 1.00 33.43 C ATOM 824 O ILE A 51 2.319 -0.935 -4.177 1.00 75.13 O ATOM 825 CB ILE A 51 -0.683 -0.102 -3.251 1.00 61.31 C ATOM 826 CG1 ILE A 51 -1.866 -0.307 -2.343 1.00 24.32 C ATOM 827 CG2 ILE A 51 -1.144 0.405 -4.606 1.00 5.13 C ATOM 828 CD1 ILE A 51 -2.787 0.891 -2.284 1.00 23.32 C ATOM 0 H ILE A 51 1.338 -1.273 -1.693 1.00 61.40 H new ATOM 0 HA ILE A 51 -0.583 -2.202 -3.686 1.00 64.05 H new ATOM 0 HB ILE A 51 -0.020 0.655 -2.831 1.00 61.31 H new ATOM 0 HG12 ILE A 51 -2.431 -1.175 -2.683 1.00 24.32 H new ATOM 0 HG13 ILE A 51 -1.510 -0.533 -1.338 1.00 24.32 H new ATOM 0 HG21 ILE A 51 -1.698 1.335 -4.477 1.00 5.13 H new ATOM 0 HG22 ILE A 51 -0.277 0.585 -5.242 1.00 5.13 H new ATOM 0 HG23 ILE A 51 -1.788 -0.340 -5.073 1.00 5.13 H new ATOM 0 HD11 ILE A 51 -3.619 0.678 -1.613 1.00 23.32 H new ATOM 0 HD12 ILE A 51 -2.236 1.756 -1.915 1.00 23.32 H new ATOM 0 HD13 ILE A 51 -3.171 1.104 -3.282 1.00 23.32 H new ATOM 840 N ASP A 52 0.763 -1.732 -5.604 1.00 62.03 N ATOM 841 CA ASP A 52 1.539 -1.716 -6.805 1.00 34.25 C ATOM 842 C ASP A 52 1.752 -0.289 -7.278 1.00 32.11 C ATOM 843 O ASP A 52 0.787 0.458 -7.483 1.00 45.25 O ATOM 844 CB ASP A 52 0.776 -2.506 -7.841 1.00 34.15 C ATOM 845 CG ASP A 52 1.434 -2.569 -9.190 1.00 42.04 C ATOM 846 OD1 ASP A 52 1.206 -1.668 -10.002 1.00 64.15 O ATOM 847 OD2 ASP A 52 2.157 -3.544 -9.462 1.00 51.30 O ATOM 0 H ASP A 52 -0.176 -2.102 -5.750 1.00 62.03 H new ATOM 0 HA ASP A 52 2.522 -2.155 -6.634 1.00 34.25 H new ATOM 0 HB2 ASP A 52 0.635 -3.522 -7.473 1.00 34.15 H new ATOM 0 HB3 ASP A 52 -0.215 -2.068 -7.955 1.00 34.15 H new ATOM 852 N PRO A 53 3.006 0.108 -7.471 1.00 62.13 N ATOM 853 CA PRO A 53 3.357 1.467 -7.874 1.00 3.22 C ATOM 854 C PRO A 53 3.106 1.751 -9.367 1.00 71.35 C ATOM 855 O PRO A 53 3.522 2.794 -9.885 1.00 2.33 O ATOM 856 CB PRO A 53 4.849 1.537 -7.564 1.00 70.34 C ATOM 857 CG PRO A 53 5.329 0.145 -7.748 1.00 74.34 C ATOM 858 CD PRO A 53 4.207 -0.741 -7.292 1.00 65.53 C ATOM 0 HA PRO A 53 2.749 2.208 -7.355 1.00 3.22 H new ATOM 0 HB2 PRO A 53 5.362 2.226 -8.234 1.00 70.34 H new ATOM 0 HB3 PRO A 53 5.028 1.888 -6.548 1.00 70.34 H new ATOM 0 HG2 PRO A 53 5.579 -0.047 -8.791 1.00 74.34 H new ATOM 0 HG3 PRO A 53 6.232 -0.037 -7.165 1.00 74.34 H new ATOM 0 HD2 PRO A 53 4.147 -1.652 -7.887 1.00 65.53 H new ATOM 0 HD3 PRO A 53 4.332 -1.046 -6.253 1.00 65.53 H new ATOM 866 N LYS A 54 2.440 0.841 -10.053 1.00 3.35 N ATOM 867 CA LYS A 54 2.157 1.010 -11.465 1.00 34.32 C ATOM 868 C LYS A 54 0.671 1.229 -11.722 1.00 31.11 C ATOM 869 O LYS A 54 0.264 1.469 -12.877 1.00 44.21 O ATOM 870 CB LYS A 54 2.652 -0.184 -12.259 1.00 41.32 C ATOM 871 CG LYS A 54 4.155 -0.376 -12.221 1.00 34.11 C ATOM 872 CD LYS A 54 4.565 -1.644 -12.943 1.00 50.11 C ATOM 873 CE LYS A 54 4.071 -1.656 -14.380 1.00 1.15 C ATOM 874 NZ LYS A 54 4.503 -2.873 -15.096 1.00 5.35 N ATOM 0 H LYS A 54 2.084 -0.027 -9.652 1.00 3.35 H new ATOM 0 HA LYS A 54 2.689 1.902 -11.796 1.00 34.32 H new ATOM 0 HB2 LYS A 54 2.172 -1.085 -11.876 1.00 41.32 H new ATOM 0 HB3 LYS A 54 2.338 -0.072 -13.297 1.00 41.32 H new ATOM 0 HG2 LYS A 54 4.645 0.482 -12.681 1.00 34.11 H new ATOM 0 HG3 LYS A 54 4.493 -0.419 -11.185 1.00 34.11 H new ATOM 0 HD2 LYS A 54 5.651 -1.735 -12.931 1.00 50.11 H new ATOM 0 HD3 LYS A 54 4.166 -2.510 -12.414 1.00 50.11 H new ATOM 0 HE2 LYS A 54 2.983 -1.594 -14.391 1.00 1.15 H new ATOM 0 HE3 LYS A 54 4.446 -0.775 -14.901 1.00 1.15 H new ATOM 0 HZ1 LYS A 54 4.147 -2.846 -16.073 1.00 5.35 H new ATOM 0 HZ2 LYS A 54 5.542 -2.919 -15.107 1.00 5.35 H new ATOM 0 HZ3 LYS A 54 4.124 -3.713 -14.613 1.00 5.35 H new ATOM 888 N LEU A 55 -0.145 1.136 -10.664 1.00 73.33 N ATOM 889 CA LEU A 55 -1.565 1.397 -10.765 1.00 4.10 C ATOM 890 C LEU A 55 -1.809 2.788 -11.321 1.00 3.32 C ATOM 891 O LEU A 55 -1.086 3.738 -11.001 1.00 0.11 O ATOM 892 CB LEU A 55 -2.245 1.245 -9.412 1.00 4.10 C ATOM 893 CG LEU A 55 -2.422 -0.171 -8.848 1.00 3.24 C ATOM 894 CD1 LEU A 55 -3.044 -0.102 -7.471 1.00 53.42 C ATOM 895 CD2 LEU A 55 -3.314 -1.000 -9.747 1.00 12.44 C ATOM 0 H LEU A 55 0.168 0.879 -9.728 1.00 73.33 H new ATOM 0 HA LEU A 55 -1.995 0.664 -11.447 1.00 4.10 H new ATOM 0 HB2 LEU A 55 -1.676 1.825 -8.685 1.00 4.10 H new ATOM 0 HB3 LEU A 55 -3.232 1.702 -9.481 1.00 4.10 H new ATOM 0 HG LEU A 55 -1.439 -0.638 -8.791 1.00 3.24 H new ATOM 0 HD11 LEU A 55 -3.167 -1.111 -7.076 1.00 53.42 H new ATOM 0 HD12 LEU A 55 -2.396 0.471 -6.807 1.00 53.42 H new ATOM 0 HD13 LEU A 55 -4.018 0.384 -7.536 1.00 53.42 H new ATOM 0 HD21 LEU A 55 -3.425 -2.000 -9.327 1.00 12.44 H new ATOM 0 HD22 LEU A 55 -4.293 -0.528 -9.824 1.00 12.44 H new ATOM 0 HD23 LEU A 55 -2.867 -1.070 -10.738 1.00 12.44 H new ATOM 907 N LYS A 56 -2.823 2.906 -12.121 1.00 13.10 N ATOM 908 CA LYS A 56 -3.119 4.122 -12.843 1.00 11.14 C ATOM 909 C LYS A 56 -3.584 5.248 -11.936 1.00 70.13 C ATOM 910 O LYS A 56 -3.240 6.409 -12.173 1.00 21.21 O ATOM 911 CB LYS A 56 -4.091 3.836 -13.989 1.00 32.24 C ATOM 912 CG LYS A 56 -3.512 2.819 -14.955 1.00 0.10 C ATOM 913 CD LYS A 56 -4.443 2.453 -16.092 1.00 54.41 C ATOM 914 CE LYS A 56 -3.766 1.418 -16.979 1.00 10.25 C ATOM 915 NZ LYS A 56 -4.600 0.986 -18.115 1.00 33.42 N ATOM 0 H LYS A 56 -3.485 2.151 -12.299 1.00 13.10 H new ATOM 0 HA LYS A 56 -2.189 4.484 -13.282 1.00 11.14 H new ATOM 0 HB2 LYS A 56 -5.033 3.465 -13.587 1.00 32.24 H new ATOM 0 HB3 LYS A 56 -4.314 4.761 -14.520 1.00 32.24 H new ATOM 0 HG2 LYS A 56 -2.585 3.214 -15.370 1.00 0.10 H new ATOM 0 HG3 LYS A 56 -3.255 1.915 -14.404 1.00 0.10 H new ATOM 0 HD2 LYS A 56 -5.379 2.056 -15.698 1.00 54.41 H new ATOM 0 HD3 LYS A 56 -4.693 3.340 -16.674 1.00 54.41 H new ATOM 0 HE2 LYS A 56 -2.832 1.832 -17.360 1.00 10.25 H new ATOM 0 HE3 LYS A 56 -3.507 0.548 -16.376 1.00 10.25 H new ATOM 0 HZ1 LYS A 56 -4.082 0.282 -18.678 1.00 33.42 H new ATOM 0 HZ2 LYS A 56 -5.481 0.563 -17.758 1.00 33.42 H new ATOM 0 HZ3 LYS A 56 -4.827 1.807 -18.711 1.00 33.42 H new ATOM 929 N TRP A 57 -4.331 4.924 -10.884 1.00 23.21 N ATOM 930 CA TRP A 57 -4.742 5.965 -9.944 1.00 21.34 C ATOM 931 C TRP A 57 -3.543 6.318 -9.045 1.00 15.20 C ATOM 932 O TRP A 57 -3.429 7.435 -8.518 1.00 11.20 O ATOM 933 CB TRP A 57 -5.988 5.555 -9.110 1.00 22.42 C ATOM 934 CG TRP A 57 -5.768 4.468 -8.091 1.00 75.03 C ATOM 935 CD1 TRP A 57 -5.914 3.123 -8.256 1.00 72.34 C ATOM 936 CD2 TRP A 57 -5.382 4.661 -6.734 1.00 44.44 C ATOM 937 NE1 TRP A 57 -5.627 2.481 -7.089 1.00 50.20 N ATOM 938 CE2 TRP A 57 -5.296 3.400 -6.138 1.00 53.22 C ATOM 939 CE3 TRP A 57 -5.093 5.788 -5.973 1.00 52.32 C ATOM 940 CZ2 TRP A 57 -4.937 3.232 -4.809 1.00 44.43 C ATOM 941 CZ3 TRP A 57 -4.736 5.628 -4.660 1.00 11.12 C ATOM 942 CH2 TRP A 57 -4.659 4.362 -4.086 1.00 42.51 C ATOM 0 H TRP A 57 -4.656 3.982 -10.664 1.00 23.21 H new ATOM 0 HA TRP A 57 -5.047 6.847 -10.508 1.00 21.34 H new ATOM 0 HB2 TRP A 57 -6.363 6.439 -8.595 1.00 22.42 H new ATOM 0 HB3 TRP A 57 -6.770 5.230 -9.796 1.00 22.42 H new ATOM 0 HD1 TRP A 57 -6.212 2.639 -9.174 1.00 72.34 H new ATOM 0 HE1 TRP A 57 -5.655 1.471 -6.949 1.00 50.20 H new ATOM 0 HE3 TRP A 57 -5.149 6.774 -6.410 1.00 52.32 H new ATOM 0 HZ2 TRP A 57 -4.879 2.250 -4.362 1.00 44.43 H new ATOM 0 HZ3 TRP A 57 -4.511 6.498 -4.061 1.00 11.12 H new ATOM 0 HH2 TRP A 57 -4.374 4.269 -3.048 1.00 42.51 H new ATOM 953 N ILE A 58 -2.646 5.345 -8.896 1.00 61.13 N ATOM 954 CA ILE A 58 -1.402 5.517 -8.161 1.00 3.14 C ATOM 955 C ILE A 58 -0.489 6.474 -8.903 1.00 43.45 C ATOM 956 O ILE A 58 0.180 7.293 -8.295 1.00 42.01 O ATOM 957 CB ILE A 58 -0.694 4.144 -7.902 1.00 33.10 C ATOM 958 CG1 ILE A 58 -1.432 3.329 -6.836 1.00 43.40 C ATOM 959 CG2 ILE A 58 0.777 4.288 -7.564 1.00 61.44 C ATOM 960 CD1 ILE A 58 -1.483 4.006 -5.484 1.00 11.02 C ATOM 0 H ILE A 58 -2.766 4.410 -9.286 1.00 61.13 H new ATOM 0 HA ILE A 58 -1.636 5.945 -7.186 1.00 3.14 H new ATOM 0 HB ILE A 58 -0.739 3.596 -8.843 1.00 33.10 H new ATOM 0 HG12 ILE A 58 -2.450 3.138 -7.176 1.00 43.40 H new ATOM 0 HG13 ILE A 58 -0.945 2.360 -6.730 1.00 43.40 H new ATOM 0 HG21 ILE A 58 1.210 3.302 -7.396 1.00 61.44 H new ATOM 0 HG22 ILE A 58 1.294 4.775 -8.391 1.00 61.44 H new ATOM 0 HG23 ILE A 58 0.886 4.891 -6.662 1.00 61.44 H new ATOM 0 HD11 ILE A 58 -2.020 3.371 -4.779 1.00 11.02 H new ATOM 0 HD12 ILE A 58 -0.468 4.172 -5.122 1.00 11.02 H new ATOM 0 HD13 ILE A 58 -1.997 4.963 -5.575 1.00 11.02 H new ATOM 972 N GLN A 59 -0.489 6.378 -10.224 1.00 75.11 N ATOM 973 CA GLN A 59 0.290 7.286 -11.049 1.00 71.44 C ATOM 974 C GLN A 59 -0.133 8.706 -10.757 1.00 51.24 C ATOM 975 O GLN A 59 0.703 9.575 -10.509 1.00 63.11 O ATOM 976 CB GLN A 59 0.089 6.996 -12.529 1.00 34.03 C ATOM 977 CG GLN A 59 0.472 5.588 -12.967 1.00 45.43 C ATOM 978 CD GLN A 59 1.913 5.236 -12.655 1.00 10.41 C ATOM 979 OE1 GLN A 59 2.811 5.478 -13.458 1.00 44.12 O ATOM 980 NE2 GLN A 59 2.133 4.642 -11.513 1.00 52.24 N ATOM 0 H GLN A 59 -1.020 5.681 -10.746 1.00 75.11 H new ATOM 0 HA GLN A 59 1.345 7.147 -10.813 1.00 71.44 H new ATOM 0 HB2 GLN A 59 -0.959 7.165 -12.778 1.00 34.03 H new ATOM 0 HB3 GLN A 59 0.674 7.712 -13.107 1.00 34.03 H new ATOM 0 HG2 GLN A 59 -0.185 4.870 -12.476 1.00 45.43 H new ATOM 0 HG3 GLN A 59 0.305 5.490 -14.040 1.00 45.43 H new ATOM 0 HE21 GLN A 59 1.358 4.460 -10.875 1.00 52.24 H new ATOM 0 HE22 GLN A 59 3.080 4.360 -11.259 1.00 52.24 H new ATOM 989 N GLU A 60 -1.451 8.912 -10.741 1.00 63.13 N ATOM 990 CA GLU A 60 -2.031 10.205 -10.437 1.00 24.10 C ATOM 991 C GLU A 60 -1.584 10.649 -9.048 1.00 22.24 C ATOM 992 O GLU A 60 -1.202 11.799 -8.850 1.00 74.33 O ATOM 993 CB GLU A 60 -3.563 10.129 -10.480 1.00 12.43 C ATOM 994 CG GLU A 60 -4.144 9.608 -11.788 1.00 2.45 C ATOM 995 CD GLU A 60 -3.752 10.429 -12.992 1.00 62.21 C ATOM 996 OE1 GLU A 60 -4.443 11.410 -13.310 1.00 71.01 O ATOM 997 OE2 GLU A 60 -2.753 10.083 -13.661 1.00 15.34 O ATOM 0 H GLU A 60 -2.138 8.184 -10.939 1.00 63.13 H new ATOM 0 HA GLU A 60 -1.693 10.925 -11.182 1.00 24.10 H new ATOM 0 HB2 GLU A 60 -3.903 9.487 -9.667 1.00 12.43 H new ATOM 0 HB3 GLU A 60 -3.967 11.124 -10.291 1.00 12.43 H new ATOM 0 HG2 GLU A 60 -3.816 8.579 -11.938 1.00 2.45 H new ATOM 0 HG3 GLU A 60 -5.231 9.588 -11.711 1.00 2.45 H new ATOM 1004 N TYR A 61 -1.613 9.705 -8.092 1.00 64.42 N ATOM 1005 CA TYR A 61 -1.199 9.978 -6.714 1.00 21.33 C ATOM 1006 C TYR A 61 0.240 10.498 -6.668 1.00 3.11 C ATOM 1007 O TYR A 61 0.497 11.572 -6.109 1.00 31.14 O ATOM 1008 CB TYR A 61 -1.327 8.719 -5.820 1.00 0.44 C ATOM 1009 CG TYR A 61 -1.019 8.978 -4.347 1.00 61.44 C ATOM 1010 CD1 TYR A 61 -2.005 9.427 -3.486 1.00 74.05 C ATOM 1011 CD2 TYR A 61 0.258 8.782 -3.826 1.00 3.24 C ATOM 1012 CE1 TYR A 61 -1.735 9.680 -2.154 1.00 32.33 C ATOM 1013 CE2 TYR A 61 0.534 9.031 -2.496 1.00 31.42 C ATOM 1014 CZ TYR A 61 -0.466 9.481 -1.665 1.00 53.44 C ATOM 1015 OH TYR A 61 -0.195 9.740 -0.336 1.00 43.05 O ATOM 0 H TYR A 61 -1.920 8.746 -8.253 1.00 64.42 H new ATOM 0 HA TYR A 61 -1.868 10.746 -6.325 1.00 21.33 H new ATOM 0 HB2 TYR A 61 -2.339 8.324 -5.906 1.00 0.44 H new ATOM 0 HB3 TYR A 61 -0.652 7.949 -6.193 1.00 0.44 H new ATOM 0 HD1 TYR A 61 -3.005 9.583 -3.862 1.00 74.05 H new ATOM 0 HD2 TYR A 61 1.047 8.429 -4.474 1.00 3.24 H new ATOM 0 HE1 TYR A 61 -2.519 10.033 -1.500 1.00 32.33 H new ATOM 0 HE2 TYR A 61 1.530 8.873 -2.110 1.00 31.42 H new ATOM 0 HH TYR A 61 0.748 9.547 -0.151 1.00 43.05 H new ATOM 1025 N LEU A 62 1.166 9.756 -7.272 1.00 13.54 N ATOM 1026 CA LEU A 62 2.575 10.138 -7.244 1.00 43.41 C ATOM 1027 C LEU A 62 2.829 11.437 -7.966 1.00 54.21 C ATOM 1028 O LEU A 62 3.551 12.296 -7.466 1.00 43.03 O ATOM 1029 CB LEU A 62 3.527 9.029 -7.747 1.00 24.30 C ATOM 1030 CG LEU A 62 3.821 7.854 -6.781 1.00 60.31 C ATOM 1031 CD1 LEU A 62 2.602 7.037 -6.461 1.00 0.40 C ATOM 1032 CD2 LEU A 62 4.926 6.984 -7.325 1.00 34.12 C ATOM 0 H LEU A 62 0.968 8.895 -7.782 1.00 13.54 H new ATOM 0 HA LEU A 62 2.806 10.288 -6.190 1.00 43.41 H new ATOM 0 HB2 LEU A 62 3.108 8.615 -8.664 1.00 24.30 H new ATOM 0 HB3 LEU A 62 4.477 9.494 -8.012 1.00 24.30 H new ATOM 0 HG LEU A 62 4.149 8.296 -5.840 1.00 60.31 H new ATOM 0 HD11 LEU A 62 2.873 6.230 -5.780 1.00 0.40 H new ATOM 0 HD12 LEU A 62 1.852 7.672 -5.990 1.00 0.40 H new ATOM 0 HD13 LEU A 62 2.195 6.615 -7.380 1.00 0.40 H new ATOM 0 HD21 LEU A 62 5.118 6.164 -6.633 1.00 34.12 H new ATOM 0 HD22 LEU A 62 4.628 6.580 -8.292 1.00 34.12 H new ATOM 0 HD23 LEU A 62 5.832 7.578 -7.444 1.00 34.12 H new ATOM 1044 N GLU A 63 2.216 11.603 -9.114 1.00 14.32 N ATOM 1045 CA GLU A 63 2.399 12.808 -9.889 1.00 51.12 C ATOM 1046 C GLU A 63 1.847 14.039 -9.179 1.00 35.13 C ATOM 1047 O GLU A 63 2.516 15.086 -9.135 1.00 31.54 O ATOM 1048 CB GLU A 63 1.834 12.656 -11.286 1.00 3.43 C ATOM 1049 CG GLU A 63 2.561 11.605 -12.107 1.00 3.44 C ATOM 1050 CD GLU A 63 1.965 11.419 -13.466 1.00 21.53 C ATOM 1051 OE1 GLU A 63 2.273 12.209 -14.374 1.00 72.22 O ATOM 1052 OE2 GLU A 63 1.163 10.487 -13.651 1.00 21.42 O ATOM 0 H GLU A 63 1.586 10.919 -9.533 1.00 14.32 H new ATOM 0 HA GLU A 63 3.473 12.966 -9.989 1.00 51.12 H new ATOM 0 HB2 GLU A 63 0.779 12.391 -11.219 1.00 3.43 H new ATOM 0 HB3 GLU A 63 1.890 13.615 -11.801 1.00 3.43 H new ATOM 0 HG2 GLU A 63 3.608 11.891 -12.210 1.00 3.44 H new ATOM 0 HG3 GLU A 63 2.541 10.655 -11.573 1.00 3.44 H new ATOM 1059 N LYS A 64 0.663 13.922 -8.576 1.00 72.20 N ATOM 1060 CA LYS A 64 0.104 15.061 -7.876 1.00 2.42 C ATOM 1061 C LYS A 64 0.825 15.290 -6.557 1.00 13.12 C ATOM 1062 O LYS A 64 0.789 16.383 -6.012 1.00 61.22 O ATOM 1063 CB LYS A 64 -1.406 14.967 -7.676 1.00 23.44 C ATOM 1064 CG LYS A 64 -1.880 13.952 -6.684 1.00 3.23 C ATOM 1065 CD LYS A 64 -3.380 13.967 -6.643 1.00 13.31 C ATOM 1066 CE LYS A 64 -3.926 13.028 -5.598 1.00 5.55 C ATOM 1067 NZ LYS A 64 -3.588 13.455 -4.223 1.00 72.14 N ATOM 0 H LYS A 64 0.094 13.076 -8.561 1.00 72.20 H new ATOM 0 HA LYS A 64 0.265 15.928 -8.517 1.00 2.42 H new ATOM 0 HB2 LYS A 64 -1.772 15.946 -7.366 1.00 23.44 H new ATOM 0 HB3 LYS A 64 -1.866 14.745 -8.639 1.00 23.44 H new ATOM 0 HG2 LYS A 64 -1.522 12.960 -6.960 1.00 3.23 H new ATOM 0 HG3 LYS A 64 -1.475 14.174 -5.697 1.00 3.23 H new ATOM 0 HD2 LYS A 64 -3.727 14.980 -6.437 1.00 13.31 H new ATOM 0 HD3 LYS A 64 -3.772 13.688 -7.621 1.00 13.31 H new ATOM 0 HE2 LYS A 64 -5.009 12.966 -5.700 1.00 5.55 H new ATOM 0 HE3 LYS A 64 -3.532 12.027 -5.772 1.00 5.55 H new ATOM 0 HZ1 LYS A 64 -4.134 12.892 -3.540 1.00 72.14 H new ATOM 0 HZ2 LYS A 64 -2.572 13.312 -4.055 1.00 72.14 H new ATOM 0 HZ3 LYS A 64 -3.820 14.462 -4.105 1.00 72.14 H new ATOM 1081 N ALA A 65 1.481 14.251 -6.048 1.00 51.14 N ATOM 1082 CA ALA A 65 2.286 14.380 -4.840 1.00 52.35 C ATOM 1083 C ALA A 65 3.574 15.130 -5.152 1.00 30.24 C ATOM 1084 O ALA A 65 4.036 15.958 -4.360 1.00 52.13 O ATOM 1085 CB ALA A 65 2.606 13.015 -4.238 1.00 22.02 C ATOM 0 H ALA A 65 1.471 13.315 -6.452 1.00 51.14 H new ATOM 0 HA ALA A 65 1.709 14.943 -4.107 1.00 52.35 H new ATOM 0 HB1 ALA A 65 3.207 13.146 -3.338 1.00 22.02 H new ATOM 0 HB2 ALA A 65 1.678 12.503 -3.983 1.00 22.02 H new ATOM 0 HB3 ALA A 65 3.161 12.419 -4.962 1.00 22.02 H new ATOM 1091 N LEU A 66 4.141 14.842 -6.315 1.00 52.32 N ATOM 1092 CA LEU A 66 5.365 15.494 -6.766 1.00 55.34 C ATOM 1093 C LEU A 66 5.087 16.905 -7.251 1.00 71.31 C ATOM 1094 O LEU A 66 5.983 17.751 -7.287 1.00 14.23 O ATOM 1095 CB LEU A 66 6.047 14.674 -7.859 1.00 34.01 C ATOM 1096 CG LEU A 66 6.496 13.271 -7.457 1.00 13.13 C ATOM 1097 CD1 LEU A 66 7.109 12.553 -8.634 1.00 70.14 C ATOM 1098 CD2 LEU A 66 7.484 13.335 -6.305 1.00 24.52 C ATOM 0 H LEU A 66 3.769 14.154 -6.970 1.00 52.32 H new ATOM 0 HA LEU A 66 6.041 15.558 -5.914 1.00 55.34 H new ATOM 0 HB2 LEU A 66 5.362 14.588 -8.703 1.00 34.01 H new ATOM 0 HB3 LEU A 66 6.918 15.227 -8.211 1.00 34.01 H new ATOM 0 HG LEU A 66 5.619 12.713 -7.129 1.00 13.13 H new ATOM 0 HD11 LEU A 66 7.423 11.555 -8.328 1.00 70.14 H new ATOM 0 HD12 LEU A 66 6.374 12.473 -9.434 1.00 70.14 H new ATOM 0 HD13 LEU A 66 7.974 13.112 -8.991 1.00 70.14 H new ATOM 0 HD21 LEU A 66 7.792 12.325 -6.033 1.00 24.52 H new ATOM 0 HD22 LEU A 66 8.358 13.912 -6.607 1.00 24.52 H new ATOM 0 HD23 LEU A 66 7.012 13.814 -5.447 1.00 24.52 H new ATOM 1110 N ASN A 67 3.865 17.149 -7.662 1.00 32.13 N ATOM 1111 CA ASN A 67 3.444 18.497 -8.028 1.00 42.44 C ATOM 1112 C ASN A 67 3.128 19.264 -6.752 1.00 72.43 C ATOM 1113 O ASN A 67 3.537 20.412 -6.587 1.00 13.14 O ATOM 1114 CB ASN A 67 2.213 18.450 -8.950 1.00 64.32 C ATOM 1115 CG ASN A 67 1.705 19.831 -9.390 1.00 21.15 C ATOM 1116 OD1 ASN A 67 2.590 20.790 -9.561 1.00 10.41 O flip ATOM 1117 ND2 ASN A 67 0.505 20.007 -9.613 1.00 23.31 N flip ATOM 0 H ASN A 67 3.139 16.438 -7.754 1.00 32.13 H new ATOM 0 HA ASN A 67 4.244 18.998 -8.573 1.00 42.44 H new ATOM 0 HB2 ASN A 67 2.459 17.866 -9.837 1.00 64.32 H new ATOM 0 HB3 ASN A 67 1.408 17.925 -8.436 1.00 64.32 H new ATOM 0 HD21 ASN A 67 -0.157 19.244 -9.471 1.00 23.31 H new ATOM 0 HD22 ASN A 67 0.175 20.915 -9.939 1.00 23.31 H new ATOM 1124 N LYS A 68 2.426 18.579 -5.854 1.00 23.04 N ATOM 1125 CA LYS A 68 2.042 19.064 -4.543 1.00 10.01 C ATOM 1126 C LYS A 68 1.093 20.268 -4.644 1.00 30.10 C ATOM 1127 O LYS A 68 -0.122 20.042 -4.794 1.00 37.12 O ATOM 1128 CB LYS A 68 3.279 19.354 -3.685 1.00 20.32 C ATOM 1129 CG LYS A 68 2.972 19.756 -2.270 1.00 22.54 C ATOM 1130 CD LYS A 68 4.232 20.054 -1.514 1.00 33.23 C ATOM 1131 CE LYS A 68 3.921 20.463 -0.094 1.00 1.42 C ATOM 1132 NZ LYS A 68 5.134 20.828 0.645 1.00 24.13 N ATOM 1133 OXT LYS A 68 1.549 21.435 -4.570 1.00 37.12 O ATOM 0 H LYS A 68 2.098 17.630 -6.033 1.00 23.04 H new ATOM 0 HA LYS A 68 1.482 18.277 -4.037 1.00 10.01 H new ATOM 0 HB2 LYS A 68 3.911 18.466 -3.669 1.00 20.32 H new ATOM 0 HB3 LYS A 68 3.857 20.148 -4.158 1.00 20.32 H new ATOM 0 HG2 LYS A 68 2.326 20.634 -2.269 1.00 22.54 H new ATOM 0 HG3 LYS A 68 2.424 18.957 -1.771 1.00 22.54 H new ATOM 0 HD2 LYS A 68 4.876 19.175 -1.511 1.00 33.23 H new ATOM 0 HD3 LYS A 68 4.782 20.851 -2.015 1.00 33.23 H new ATOM 0 HE2 LYS A 68 3.232 21.307 -0.101 1.00 1.42 H new ATOM 0 HE3 LYS A 68 3.416 19.644 0.418 1.00 1.42 H new ATOM 0 HZ1 LYS A 68 4.880 21.103 1.615 1.00 24.13 H new ATOM 0 HZ2 LYS A 68 5.781 20.014 0.674 1.00 24.13 H new ATOM 0 HZ3 LYS A 68 5.603 21.626 0.171 1.00 24.13 H new TER 1147 LYS A 68