USER MOD reduce.3.24.130724 H: found=0, std=0, add=1187, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1187 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 123 THR OG1 : rot 129:sc= -0.0997 USER MOD Set 1.2: A 133 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 119 GLN :FLIP amide:sc= 0.844 F(o=-2.8!,f=1.8) USER MOD Set 2.2: A 137 SER OG : rot -103:sc= 0.99 USER MOD Set 3.1: A 48 THR OG1 : rot 149:sc= -0.122 USER MOD Set 3.2: A 87 MET CE :methyl 133:sc= -0.786 (180deg=-0.452) USER MOD Set 4.1: A 52 SER OG : rot -70:sc= 1.05 USER MOD Set 4.2: A 53 HIS : no HE2:sc= -0.252 K(o=0.8,f=-0.85) USER MOD Set 5.1: A 1 MET N :NH3+ -156:sc= 1.18 (180deg=-0.287) USER MOD Set 5.2: A 51 TYR OH : rot 180:sc= 0.994 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 20:sc= -0.574 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00194) USER MOD Single : A 17 THR OG1 : rot 121:sc= 0.395 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 91:sc= -3.49! USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00313) USER MOD Single : A 35 ASN :FLIP amide:sc= -1.96! C(o=-2.9!,f=-2!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.233 USER MOD Single : A 41 TYR OH : rot 119:sc= 0.516 USER MOD Single : A 44 LYS NZ :NH3+ 139:sc= -1.37 (180deg=-3.01!) USER MOD Single : A 46 SER OG : rot 23:sc= 0.0568 USER MOD Single : A 49 ASN :FLIP amide:sc= -0.245 F(o=-1,f=-0.25) USER MOD Single : A 54 SER OG : rot -36:sc= 1.3 USER MOD Single : A 58 CYS SG : rot -16:sc= -0.697! USER MOD Single : A 61 SER OG : rot -47:sc= 0.372 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 HIS :FLIP no HD1:sc= -0.239 F(o=-2.5!,f=-0.24) USER MOD Single : A 66 SER OG : rot 148:sc= -1.13 USER MOD Single : A 73 LYS NZ :NH3+ -163:sc= 1.26 (180deg=0.929) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 16:sc= 0.57 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot -53:sc= 0.219 USER MOD Single : A 99 SER OG : rot 180:sc= -0.345 USER MOD Single : A 103 ASN :FLIP amide:sc= -0.571 F(o=-3.1!,f=-0.57) USER MOD Single : A 116 TYR OH : rot 150:sc= -0.725 USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0.952 (180deg=0.952) USER MOD Single : A 143 LYS NZ :NH3+ 167:sc= -0.0413 (180deg=-0.275) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.781 1.004 0.488 1.00 10.79 N ATOM 2 CA MET A 1 26.343 0.221 1.612 1.00 10.01 C ATOM 3 C MET A 1 26.449 1.082 2.869 1.00 9.13 C ATOM 4 O MET A 1 26.498 2.309 2.778 1.00 8.77 O ATOM 5 CB MET A 1 27.731 -0.318 1.227 1.00 10.16 C ATOM 6 CG MET A 1 28.429 -1.086 2.339 1.00 10.63 C ATOM 7 SD MET A 1 30.069 -1.674 1.872 1.00 11.28 S ATOM 8 CE MET A 1 30.615 -2.388 3.424 1.00 12.11 C ATOM 0 H1 MET A 1 25.343 0.359 -0.200 1.00 10.79 H new ATOM 0 H2 MET A 1 25.063 1.664 0.849 1.00 10.79 H new ATOM 0 H3 MET A 1 26.542 1.540 0.024 1.00 10.79 H new ATOM 0 HA MET A 1 25.676 -0.615 1.822 1.00 10.01 H new ATOM 0 HB2 MET A 1 27.628 -0.970 0.359 1.00 10.16 H new ATOM 0 HB3 MET A 1 28.363 0.518 0.925 1.00 10.16 H new ATOM 0 HG2 MET A 1 28.516 -0.445 3.216 1.00 10.63 H new ATOM 0 HG3 MET A 1 27.813 -1.938 2.626 1.00 10.63 H new ATOM 0 HE1 MET A 1 31.618 -2.798 3.303 1.00 12.11 H new ATOM 0 HE2 MET A 1 30.628 -1.617 4.194 1.00 12.11 H new ATOM 0 HE3 MET A 1 29.931 -3.184 3.719 1.00 12.11 H new ATOM 20 N ALA A 2 26.426 0.424 4.031 1.00 9.02 N ATOM 21 CA ALA A 2 26.736 1.043 5.328 1.00 8.49 C ATOM 22 C ALA A 2 25.608 1.921 5.872 1.00 7.47 C ATOM 23 O ALA A 2 25.192 1.737 7.017 1.00 7.51 O ATOM 24 CB ALA A 2 28.038 1.834 5.258 1.00 8.92 C ATOM 0 H ALA A 2 26.189 -0.566 4.101 1.00 9.02 H new ATOM 0 HA ALA A 2 26.852 0.218 6.031 1.00 8.49 H new ATOM 0 HB1 ALA A 2 28.244 2.282 6.230 1.00 8.92 H new ATOM 0 HB2 ALA A 2 28.855 1.166 4.985 1.00 8.92 H new ATOM 0 HB3 ALA A 2 27.946 2.620 4.509 1.00 8.92 H new ATOM 30 N SER A 3 25.140 2.872 5.057 1.00 6.83 N ATOM 31 CA SER A 3 24.155 3.882 5.471 1.00 6.03 C ATOM 32 C SER A 3 24.818 4.917 6.387 1.00 6.30 C ATOM 33 O SER A 3 24.689 6.119 6.178 1.00 6.25 O ATOM 34 CB SER A 3 22.945 3.249 6.167 1.00 6.05 C ATOM 35 OG SER A 3 21.908 4.196 6.368 1.00 6.36 O ATOM 0 H SER A 3 25.435 2.965 4.085 1.00 6.83 H new ATOM 0 HA SER A 3 23.790 4.378 4.572 1.00 6.03 H new ATOM 0 HB2 SER A 3 22.571 2.420 5.566 1.00 6.05 H new ATOM 0 HB3 SER A 3 23.252 2.834 7.127 1.00 6.05 H new ATOM 0 HG SER A 3 22.035 4.954 5.760 1.00 6.36 H new ATOM 41 N LEU A 4 25.525 4.434 7.402 1.00 6.90 N ATOM 42 CA LEU A 4 26.313 5.292 8.273 1.00 7.44 C ATOM 43 C LEU A 4 27.776 5.212 7.860 1.00 8.08 C ATOM 44 O LEU A 4 28.390 4.149 7.952 1.00 8.54 O ATOM 45 CB LEU A 4 26.166 4.884 9.747 1.00 8.03 C ATOM 46 CG LEU A 4 24.803 5.169 10.392 1.00 8.33 C ATOM 47 CD1 LEU A 4 23.740 4.195 9.902 1.00 8.55 C ATOM 48 CD2 LEU A 4 24.913 5.115 11.909 1.00 8.49 C ATOM 0 H LEU A 4 25.567 3.443 7.642 1.00 6.90 H new ATOM 0 HA LEU A 4 25.949 6.314 8.173 1.00 7.44 H new ATOM 0 HB2 LEU A 4 26.368 3.816 9.830 1.00 8.03 H new ATOM 0 HB3 LEU A 4 26.934 5.399 10.324 1.00 8.03 H new ATOM 0 HG LEU A 4 24.497 6.172 10.095 1.00 8.33 H new ATOM 0 HD11 LEU A 4 22.787 4.426 10.379 1.00 8.55 H new ATOM 0 HD12 LEU A 4 23.635 4.284 8.821 1.00 8.55 H new ATOM 0 HD13 LEU A 4 24.035 3.177 10.155 1.00 8.55 H new ATOM 0 HD21 LEU A 4 23.938 5.319 12.352 1.00 8.49 H new ATOM 0 HD22 LEU A 4 25.250 4.124 12.214 1.00 8.49 H new ATOM 0 HD23 LEU A 4 25.630 5.863 12.249 1.00 8.49 H new ATOM 60 N LEU A 5 28.324 6.327 7.395 1.00 8.35 N ATOM 61 CA LEU A 5 29.690 6.348 6.879 1.00 9.16 C ATOM 62 C LEU A 5 30.709 6.270 8.011 1.00 9.51 C ATOM 63 O LEU A 5 31.503 5.328 8.081 1.00 9.84 O ATOM 64 CB LEU A 5 29.943 7.607 6.032 1.00 9.53 C ATOM 65 CG LEU A 5 29.223 7.664 4.674 1.00 9.85 C ATOM 66 CD1 LEU A 5 29.435 6.375 3.897 1.00 10.47 C ATOM 67 CD2 LEU A 5 27.738 7.946 4.848 1.00 9.72 C ATOM 0 H LEU A 5 27.846 7.228 7.364 1.00 8.35 H new ATOM 0 HA LEU A 5 29.810 5.470 6.244 1.00 9.16 H new ATOM 0 HB2 LEU A 5 29.645 8.478 6.615 1.00 9.53 H new ATOM 0 HB3 LEU A 5 31.015 7.692 5.856 1.00 9.53 H new ATOM 0 HG LEU A 5 29.656 8.486 4.103 1.00 9.85 H new ATOM 0 HD11 LEU A 5 28.917 6.438 2.940 1.00 10.47 H new ATOM 0 HD12 LEU A 5 30.501 6.226 3.724 1.00 10.47 H new ATOM 0 HD13 LEU A 5 29.040 5.536 4.469 1.00 10.47 H new ATOM 0 HD21 LEU A 5 27.257 7.980 3.870 1.00 9.72 H new ATOM 0 HD22 LEU A 5 27.285 7.156 5.448 1.00 9.72 H new ATOM 0 HD23 LEU A 5 27.606 8.904 5.351 1.00 9.72 H new ATOM 79 N ASP A 6 30.684 7.258 8.893 1.00 9.65 N ATOM 80 CA ASP A 6 31.613 7.307 10.014 1.00 10.15 C ATOM 81 C ASP A 6 30.904 7.826 11.259 1.00 10.22 C ATOM 82 O ASP A 6 30.060 8.717 11.173 1.00 10.27 O ATOM 83 CB ASP A 6 32.817 8.188 9.668 1.00 10.65 C ATOM 84 CG ASP A 6 33.872 8.190 10.753 1.00 11.12 C ATOM 85 OD1 ASP A 6 34.414 7.111 11.061 1.00 11.06 O ATOM 86 OD2 ASP A 6 34.144 9.267 11.324 1.00 11.69 O ATOM 0 H ASP A 6 30.029 8.039 8.854 1.00 9.65 H new ATOM 0 HA ASP A 6 31.975 6.299 10.218 1.00 10.15 H new ATOM 0 HB2 ASP A 6 33.261 7.839 8.736 1.00 10.65 H new ATOM 0 HB3 ASP A 6 32.477 9.209 9.496 1.00 10.65 H new ATOM 91 N LYS A 7 31.233 7.259 12.410 1.00 10.47 N ATOM 92 CA LYS A 7 30.523 7.576 13.643 1.00 10.82 C ATOM 93 C LYS A 7 31.378 8.429 14.573 1.00 10.96 C ATOM 94 O LYS A 7 30.845 9.202 15.373 1.00 11.26 O ATOM 95 CB LYS A 7 30.108 6.284 14.350 1.00 11.03 C ATOM 96 CG LYS A 7 29.306 5.346 13.462 1.00 11.00 C ATOM 97 CD LYS A 7 29.041 4.019 14.149 1.00 11.19 C ATOM 98 CE LYS A 7 28.394 3.022 13.201 1.00 11.04 C ATOM 99 NZ LYS A 7 28.182 1.701 13.850 1.00 11.42 N ATOM 0 H LYS A 7 31.985 6.578 12.517 1.00 10.47 H new ATOM 0 HA LYS A 7 29.634 8.151 13.384 1.00 10.82 H new ATOM 0 HB2 LYS A 7 31.001 5.767 14.701 1.00 11.03 H new ATOM 0 HB3 LYS A 7 29.517 6.533 15.231 1.00 11.03 H new ATOM 0 HG2 LYS A 7 28.358 5.815 13.198 1.00 11.00 H new ATOM 0 HG3 LYS A 7 29.847 5.173 12.532 1.00 11.00 H new ATOM 0 HD2 LYS A 7 29.978 3.609 14.526 1.00 11.19 H new ATOM 0 HD3 LYS A 7 28.393 4.177 15.011 1.00 11.19 H new ATOM 0 HE2 LYS A 7 27.438 3.416 12.857 1.00 11.04 H new ATOM 0 HE3 LYS A 7 29.023 2.897 12.320 1.00 11.04 H new ATOM 0 HZ1 LYS A 7 27.739 1.048 13.172 1.00 11.42 H new ATOM 0 HZ2 LYS A 7 29.097 1.314 14.156 1.00 11.42 H new ATOM 0 HZ3 LYS A 7 27.561 1.816 14.676 1.00 11.42 H new ATOM 113 N ALA A 8 32.700 8.265 14.467 1.00 10.94 N ATOM 114 CA ALA A 8 33.671 9.013 15.269 1.00 11.28 C ATOM 115 C ALA A 8 33.493 8.749 16.765 1.00 11.40 C ATOM 116 O ALA A 8 34.146 7.870 17.329 1.00 11.50 O ATOM 117 CB ALA A 8 33.598 10.505 14.970 1.00 11.58 C ATOM 0 H ALA A 8 33.129 7.605 13.818 1.00 10.94 H new ATOM 0 HA ALA A 8 34.663 8.658 14.988 1.00 11.28 H new ATOM 0 HB1 ALA A 8 34.330 11.035 15.580 1.00 11.58 H new ATOM 0 HB2 ALA A 8 33.813 10.676 13.915 1.00 11.58 H new ATOM 0 HB3 ALA A 8 32.599 10.874 15.201 1.00 11.58 H new ATOM 123 N LYS A 9 32.606 9.500 17.400 1.00 11.60 N ATOM 124 CA LYS A 9 32.313 9.307 18.809 1.00 11.93 C ATOM 125 C LYS A 9 30.811 9.390 19.046 1.00 11.76 C ATOM 126 O LYS A 9 30.310 10.389 19.565 1.00 12.08 O ATOM 127 CB LYS A 9 33.037 10.344 19.679 1.00 12.75 C ATOM 128 CG LYS A 9 32.847 10.109 21.171 1.00 13.65 C ATOM 129 CD LYS A 9 33.239 11.322 21.999 1.00 14.38 C ATOM 130 CE LYS A 9 34.732 11.593 21.945 1.00 15.18 C ATOM 131 NZ LYS A 9 35.103 12.758 22.788 1.00 15.74 N ATOM 0 H LYS A 9 32.076 10.251 16.958 1.00 11.60 H new ATOM 0 HA LYS A 9 32.672 8.318 19.093 1.00 11.93 H new ATOM 0 HB2 LYS A 9 34.102 10.324 19.447 1.00 12.75 H new ATOM 0 HB3 LYS A 9 32.674 11.340 19.425 1.00 12.75 H new ATOM 0 HG2 LYS A 9 31.804 9.859 21.368 1.00 13.65 H new ATOM 0 HG3 LYS A 9 33.444 9.252 21.481 1.00 13.65 H new ATOM 0 HD2 LYS A 9 32.699 12.197 21.637 1.00 14.38 H new ATOM 0 HD3 LYS A 9 32.937 11.166 23.035 1.00 14.38 H new ATOM 0 HE2 LYS A 9 35.276 10.710 22.282 1.00 15.18 H new ATOM 0 HE3 LYS A 9 35.033 11.778 20.914 1.00 15.18 H new ATOM 0 HZ1 LYS A 9 36.129 12.916 22.729 1.00 15.74 H new ATOM 0 HZ2 LYS A 9 34.602 13.605 22.450 1.00 15.74 H new ATOM 0 HZ3 LYS A 9 34.838 12.570 23.776 1.00 15.74 H new ATOM 145 N ASP A 10 30.094 8.360 18.601 1.00 11.46 N ATOM 146 CA ASP A 10 28.653 8.235 18.856 1.00 11.51 C ATOM 147 C ASP A 10 27.866 9.396 18.252 1.00 10.95 C ATOM 148 O ASP A 10 26.725 9.651 18.637 1.00 10.81 O ATOM 149 CB ASP A 10 28.379 8.161 20.365 1.00 11.95 C ATOM 150 CG ASP A 10 28.881 6.880 20.998 1.00 12.36 C ATOM 151 OD1 ASP A 10 30.103 6.623 20.955 1.00 12.69 O ATOM 152 OD2 ASP A 10 28.057 6.128 21.556 1.00 12.50 O ATOM 0 H ASP A 10 30.488 7.592 18.057 1.00 11.46 H new ATOM 0 HA ASP A 10 28.321 7.314 18.378 1.00 11.51 H new ATOM 0 HB2 ASP A 10 28.852 9.011 20.856 1.00 11.95 H new ATOM 0 HB3 ASP A 10 27.306 8.249 20.538 1.00 11.95 H new ATOM 157 N PHE A 11 28.463 10.087 17.293 1.00 10.84 N ATOM 158 CA PHE A 11 27.842 11.263 16.709 1.00 10.58 C ATOM 159 C PHE A 11 28.051 11.284 15.201 1.00 9.71 C ATOM 160 O PHE A 11 29.165 11.480 14.723 1.00 9.93 O ATOM 161 CB PHE A 11 28.416 12.536 17.345 1.00 11.21 C ATOM 162 CG PHE A 11 27.766 13.805 16.869 1.00 12.04 C ATOM 163 CD1 PHE A 11 26.584 14.252 17.439 1.00 12.82 C ATOM 164 CD2 PHE A 11 28.338 14.550 15.851 1.00 12.19 C ATOM 165 CE1 PHE A 11 25.985 15.417 17.002 1.00 13.71 C ATOM 166 CE2 PHE A 11 27.743 15.716 15.410 1.00 13.10 C ATOM 167 CZ PHE A 11 26.562 16.151 15.992 1.00 13.85 C ATOM 0 H PHE A 11 29.376 9.853 16.904 1.00 10.84 H new ATOM 0 HA PHE A 11 26.771 11.224 16.907 1.00 10.58 H new ATOM 0 HB2 PHE A 11 28.308 12.469 18.428 1.00 11.21 H new ATOM 0 HB3 PHE A 11 29.484 12.586 17.133 1.00 11.21 H new ATOM 0 HD1 PHE A 11 26.126 13.682 18.234 1.00 12.82 H new ATOM 0 HD2 PHE A 11 29.259 14.216 15.397 1.00 12.19 H new ATOM 0 HE1 PHE A 11 25.063 15.752 17.454 1.00 13.71 H new ATOM 0 HE2 PHE A 11 28.197 16.288 14.614 1.00 13.10 H new ATOM 0 HZ PHE A 11 26.096 17.064 15.653 1.00 13.85 H new ATOM 177 N VAL A 12 26.981 11.067 14.462 1.00 8.87 N ATOM 178 CA VAL A 12 27.039 11.121 13.012 1.00 8.10 C ATOM 179 C VAL A 12 26.787 12.540 12.523 1.00 8.03 C ATOM 180 O VAL A 12 25.985 13.274 13.104 1.00 8.27 O ATOM 181 CB VAL A 12 26.024 10.158 12.357 1.00 7.45 C ATOM 182 CG1 VAL A 12 26.435 8.712 12.590 1.00 7.79 C ATOM 183 CG2 VAL A 12 24.620 10.406 12.892 1.00 7.55 C ATOM 0 H VAL A 12 26.059 10.851 14.841 1.00 8.87 H new ATOM 0 HA VAL A 12 28.040 10.805 12.718 1.00 8.10 H new ATOM 0 HB VAL A 12 26.018 10.348 11.284 1.00 7.45 H new ATOM 0 HG11 VAL A 12 25.709 8.047 12.122 1.00 7.79 H new ATOM 0 HG12 VAL A 12 27.419 8.539 12.154 1.00 7.79 H new ATOM 0 HG13 VAL A 12 26.472 8.512 13.661 1.00 7.79 H new ATOM 0 HG21 VAL A 12 23.922 9.716 12.417 1.00 7.55 H new ATOM 0 HG22 VAL A 12 24.608 10.248 13.970 1.00 7.55 H new ATOM 0 HG23 VAL A 12 24.323 11.431 12.672 1.00 7.55 H new ATOM 193 N ALA A 13 27.501 12.928 11.479 1.00 7.99 N ATOM 194 CA ALA A 13 27.310 14.230 10.866 1.00 8.22 C ATOM 195 C ALA A 13 25.950 14.289 10.191 1.00 7.61 C ATOM 196 O ALA A 13 25.169 15.216 10.409 1.00 7.80 O ATOM 197 CB ALA A 13 28.417 14.504 9.859 1.00 8.91 C ATOM 0 H ALA A 13 28.221 12.356 11.037 1.00 7.99 H new ATOM 0 HA ALA A 13 27.351 14.997 11.640 1.00 8.22 H new ATOM 0 HB1 ALA A 13 28.263 15.483 9.406 1.00 8.91 H new ATOM 0 HB2 ALA A 13 29.382 14.486 10.365 1.00 8.91 H new ATOM 0 HB3 ALA A 13 28.401 13.739 9.083 1.00 8.91 H new ATOM 203 N ASP A 14 25.678 13.285 9.369 1.00 7.15 N ATOM 204 CA ASP A 14 24.397 13.157 8.697 1.00 6.85 C ATOM 205 C ASP A 14 24.087 11.689 8.458 1.00 6.18 C ATOM 206 O ASP A 14 24.763 11.025 7.672 1.00 6.06 O ATOM 207 CB ASP A 14 24.409 13.914 7.367 1.00 7.60 C ATOM 208 CG ASP A 14 23.142 13.700 6.561 1.00 8.14 C ATOM 209 OD1 ASP A 14 22.088 14.254 6.943 1.00 8.32 O ATOM 210 OD2 ASP A 14 23.184 12.954 5.560 1.00 8.60 O ATOM 0 H ASP A 14 26.339 12.539 9.151 1.00 7.15 H new ATOM 0 HA ASP A 14 23.624 13.589 9.332 1.00 6.85 H new ATOM 0 HB2 ASP A 14 24.536 14.979 7.561 1.00 7.60 H new ATOM 0 HB3 ASP A 14 25.268 13.592 6.778 1.00 7.60 H new ATOM 215 N LYS A 15 23.102 11.176 9.171 1.00 6.06 N ATOM 216 CA LYS A 15 22.685 9.795 9.004 1.00 5.70 C ATOM 217 C LYS A 15 21.574 9.694 7.964 1.00 5.00 C ATOM 218 O LYS A 15 20.414 9.999 8.246 1.00 5.32 O ATOM 219 CB LYS A 15 22.222 9.219 10.347 1.00 6.54 C ATOM 220 CG LYS A 15 21.798 7.760 10.287 1.00 7.17 C ATOM 221 CD LYS A 15 21.498 7.212 11.677 1.00 7.82 C ATOM 222 CE LYS A 15 20.321 7.921 12.335 1.00 8.59 C ATOM 223 NZ LYS A 15 19.023 7.560 11.706 1.00 9.04 N ATOM 0 H LYS A 15 22.574 11.695 9.873 1.00 6.06 H new ATOM 0 HA LYS A 15 23.536 9.213 8.650 1.00 5.70 H new ATOM 0 HB2 LYS A 15 23.030 9.321 11.071 1.00 6.54 H new ATOM 0 HB3 LYS A 15 21.386 9.814 10.716 1.00 6.54 H new ATOM 0 HG2 LYS A 15 20.914 7.662 9.657 1.00 7.17 H new ATOM 0 HG3 LYS A 15 22.588 7.169 9.823 1.00 7.17 H new ATOM 0 HD2 LYS A 15 21.284 6.146 11.607 1.00 7.82 H new ATOM 0 HD3 LYS A 15 22.382 7.319 12.306 1.00 7.82 H new ATOM 0 HE2 LYS A 15 20.292 7.666 13.394 1.00 8.59 H new ATOM 0 HE3 LYS A 15 20.467 8.999 12.270 1.00 8.59 H new ATOM 0 HZ1 LYS A 15 18.250 8.053 12.197 1.00 9.04 H new ATOM 0 HZ2 LYS A 15 19.032 7.842 10.705 1.00 9.04 H new ATOM 0 HZ3 LYS A 15 18.877 6.533 11.775 1.00 9.04 H new ATOM 237 N LEU A 16 21.941 9.298 6.755 1.00 4.38 N ATOM 238 CA LEU A 16 20.970 9.087 5.696 1.00 3.98 C ATOM 239 C LEU A 16 21.459 8.002 4.737 1.00 3.20 C ATOM 240 O LEU A 16 21.409 6.817 5.068 1.00 3.50 O ATOM 241 CB LEU A 16 20.685 10.390 4.938 1.00 4.41 C ATOM 242 CG LEU A 16 19.542 10.314 3.921 1.00 4.83 C ATOM 243 CD1 LEU A 16 18.219 10.046 4.621 1.00 5.58 C ATOM 244 CD2 LEU A 16 19.465 11.593 3.105 1.00 5.22 C ATOM 0 H LEU A 16 22.907 9.116 6.484 1.00 4.38 H new ATOM 0 HA LEU A 16 20.037 8.756 6.152 1.00 3.98 H new ATOM 0 HB2 LEU A 16 20.454 11.171 5.663 1.00 4.41 H new ATOM 0 HB3 LEU A 16 21.593 10.696 4.418 1.00 4.41 H new ATOM 0 HG LEU A 16 19.744 9.486 3.241 1.00 4.83 H new ATOM 0 HD11 LEU A 16 17.420 9.996 3.882 1.00 5.58 H new ATOM 0 HD12 LEU A 16 18.277 9.099 5.158 1.00 5.58 H new ATOM 0 HD13 LEU A 16 18.011 10.851 5.326 1.00 5.58 H new ATOM 0 HD21 LEU A 16 18.647 11.519 2.389 1.00 5.22 H new ATOM 0 HD22 LEU A 16 19.290 12.439 3.770 1.00 5.22 H new ATOM 0 HD23 LEU A 16 20.403 11.740 2.570 1.00 5.22 H new ATOM 256 N THR A 17 21.980 8.422 3.580 1.00 2.59 N ATOM 257 CA THR A 17 22.395 7.502 2.522 1.00 2.16 C ATOM 258 C THR A 17 21.224 6.615 2.091 1.00 1.94 C ATOM 259 O THR A 17 20.447 6.986 1.210 1.00 2.69 O ATOM 260 CB THR A 17 23.584 6.622 2.969 1.00 2.27 C ATOM 261 OG1 THR A 17 24.625 7.449 3.500 1.00 2.61 O ATOM 262 CG2 THR A 17 24.136 5.804 1.811 1.00 2.60 C ATOM 0 H THR A 17 22.125 9.406 3.353 1.00 2.59 H new ATOM 0 HA THR A 17 22.719 8.105 1.674 1.00 2.16 H new ATOM 0 HB THR A 17 23.223 5.935 3.735 1.00 2.27 H new ATOM 0 HG1 THR A 17 24.809 7.188 4.427 1.00 2.61 H new ATOM 0 HG21 THR A 17 24.971 5.197 2.160 1.00 2.60 H new ATOM 0 HG22 THR A 17 23.354 5.154 1.419 1.00 2.60 H new ATOM 0 HG23 THR A 17 24.479 6.474 1.023 1.00 2.60 H new ATOM 270 N ALA A 18 21.101 5.467 2.752 1.00 1.42 N ATOM 271 CA ALA A 18 20.009 4.529 2.538 1.00 1.18 C ATOM 272 C ALA A 18 19.754 4.230 1.060 1.00 0.99 C ATOM 273 O ALA A 18 20.680 3.942 0.302 1.00 1.68 O ATOM 274 CB ALA A 18 18.743 5.025 3.220 1.00 1.35 C ATOM 0 H ALA A 18 21.768 5.160 3.461 1.00 1.42 H new ATOM 0 HA ALA A 18 20.312 3.585 2.990 1.00 1.18 H new ATOM 0 HB1 ALA A 18 17.936 4.313 3.051 1.00 1.35 H new ATOM 0 HB2 ALA A 18 18.921 5.124 4.291 1.00 1.35 H new ATOM 0 HB3 ALA A 18 18.464 5.995 2.808 1.00 1.35 H new ATOM 280 N ILE A 19 18.493 4.314 0.661 1.00 0.98 N ATOM 281 CA ILE A 19 18.046 3.754 -0.602 1.00 1.09 C ATOM 282 C ILE A 19 17.236 4.779 -1.408 1.00 1.12 C ATOM 283 O ILE A 19 17.066 5.916 -0.966 1.00 1.42 O ATOM 284 CB ILE A 19 17.179 2.503 -0.327 1.00 1.63 C ATOM 285 CG1 ILE A 19 15.876 2.909 0.377 1.00 2.29 C ATOM 286 CG2 ILE A 19 17.964 1.508 0.524 1.00 1.55 C ATOM 287 CD1 ILE A 19 14.862 1.790 0.490 1.00 3.19 C ATOM 0 H ILE A 19 17.757 4.769 1.201 1.00 0.98 H new ATOM 0 HA ILE A 19 18.922 3.479 -1.189 1.00 1.09 H new ATOM 0 HB ILE A 19 16.923 2.027 -1.274 1.00 1.63 H new ATOM 0 HG12 ILE A 19 16.113 3.273 1.377 1.00 2.29 H new ATOM 0 HG13 ILE A 19 15.426 3.740 -0.166 1.00 2.29 H new ATOM 0 HG21 ILE A 19 17.349 0.628 0.715 1.00 1.55 H new ATOM 0 HG22 ILE A 19 18.869 1.210 -0.006 1.00 1.55 H new ATOM 0 HG23 ILE A 19 18.235 1.974 1.471 1.00 1.55 H new ATOM 0 HD11 ILE A 19 13.971 2.157 0.999 1.00 3.19 H new ATOM 0 HD12 ILE A 19 14.593 1.441 -0.507 1.00 3.19 H new ATOM 0 HD13 ILE A 19 15.292 0.966 1.060 1.00 3.19 H new ATOM 299 N PRO A 20 16.759 4.401 -2.617 1.00 1.27 N ATOM 300 CA PRO A 20 15.842 5.235 -3.417 1.00 1.56 C ATOM 301 C PRO A 20 14.481 5.448 -2.740 1.00 1.80 C ATOM 302 O PRO A 20 14.370 5.416 -1.514 1.00 2.42 O ATOM 303 CB PRO A 20 15.671 4.443 -4.720 1.00 2.12 C ATOM 304 CG PRO A 20 16.821 3.498 -4.758 1.00 2.16 C ATOM 305 CD PRO A 20 17.113 3.160 -3.329 1.00 1.66 C ATOM 0 HA PRO A 20 16.243 6.239 -3.560 1.00 1.56 H new ATOM 0 HB2 PRO A 20 14.721 3.908 -4.734 1.00 2.12 H new ATOM 0 HB3 PRO A 20 15.677 5.105 -5.586 1.00 2.12 H new ATOM 0 HG2 PRO A 20 16.574 2.603 -5.330 1.00 2.16 H new ATOM 0 HG3 PRO A 20 17.687 3.954 -5.238 1.00 2.16 H new ATOM 0 HD2 PRO A 20 16.519 2.313 -2.985 1.00 1.66 H new ATOM 0 HD3 PRO A 20 18.160 2.895 -3.183 1.00 1.66 H new ATOM 313 N LYS A 21 13.443 5.656 -3.543 1.00 1.78 N ATOM 314 CA LYS A 21 12.139 6.040 -3.010 1.00 2.16 C ATOM 315 C LYS A 21 10.984 5.546 -3.897 1.00 1.84 C ATOM 316 O LYS A 21 10.031 4.964 -3.384 1.00 2.42 O ATOM 317 CB LYS A 21 12.081 7.566 -2.830 1.00 3.10 C ATOM 318 CG LYS A 21 10.803 8.079 -2.180 1.00 4.04 C ATOM 319 CD LYS A 21 10.954 9.538 -1.769 1.00 4.86 C ATOM 320 CE LYS A 21 9.693 10.088 -1.115 1.00 5.68 C ATOM 321 NZ LYS A 21 8.594 10.298 -2.094 1.00 6.38 N ATOM 0 H LYS A 21 13.477 5.566 -4.558 1.00 1.78 H new ATOM 0 HA LYS A 21 12.016 5.560 -2.039 1.00 2.16 H new ATOM 0 HB2 LYS A 21 12.932 7.880 -2.226 1.00 3.10 H new ATOM 0 HB3 LYS A 21 12.192 8.038 -3.806 1.00 3.10 H new ATOM 0 HG2 LYS A 21 9.970 7.977 -2.875 1.00 4.04 H new ATOM 0 HG3 LYS A 21 10.565 7.473 -1.306 1.00 4.04 H new ATOM 0 HD2 LYS A 21 11.791 9.633 -1.077 1.00 4.86 H new ATOM 0 HD3 LYS A 21 11.196 10.137 -2.647 1.00 4.86 H new ATOM 0 HE2 LYS A 21 9.359 9.399 -0.339 1.00 5.68 H new ATOM 0 HE3 LYS A 21 9.924 11.033 -0.624 1.00 5.68 H new ATOM 0 HZ1 LYS A 21 7.758 10.673 -1.602 1.00 6.38 H new ATOM 0 HZ2 LYS A 21 8.901 10.976 -2.821 1.00 6.38 H new ATOM 0 HZ3 LYS A 21 8.353 9.392 -2.545 1.00 6.38 H new ATOM 335 N PRO A 22 11.024 5.777 -5.230 1.00 1.54 N ATOM 336 CA PRO A 22 9.975 5.298 -6.141 1.00 1.96 C ATOM 337 C PRO A 22 10.058 3.792 -6.404 1.00 1.56 C ATOM 338 O PRO A 22 10.235 3.362 -7.542 1.00 2.15 O ATOM 339 CB PRO A 22 10.225 6.083 -7.441 1.00 2.77 C ATOM 340 CG PRO A 22 11.261 7.104 -7.109 1.00 2.68 C ATOM 341 CD PRO A 22 12.044 6.538 -5.963 1.00 1.75 C ATOM 0 HA PRO A 22 8.983 5.455 -5.718 1.00 1.96 H new ATOM 0 HB2 PRO A 22 10.569 5.422 -8.237 1.00 2.77 H new ATOM 0 HB3 PRO A 22 9.309 6.557 -7.794 1.00 2.77 H new ATOM 0 HG2 PRO A 22 11.907 7.298 -7.965 1.00 2.68 H new ATOM 0 HG3 PRO A 22 10.800 8.053 -6.836 1.00 2.68 H new ATOM 0 HD2 PRO A 22 12.860 5.900 -6.304 1.00 1.75 H new ATOM 0 HD3 PRO A 22 12.487 7.321 -5.348 1.00 1.75 H new ATOM 349 N GLU A 23 9.877 3.003 -5.353 1.00 0.92 N ATOM 350 CA GLU A 23 9.929 1.576 -5.396 1.00 0.94 C ATOM 351 C GLU A 23 8.679 1.107 -4.680 1.00 0.56 C ATOM 352 O GLU A 23 8.229 1.772 -3.751 1.00 1.14 O ATOM 353 CB GLU A 23 11.182 1.089 -4.697 1.00 1.69 C ATOM 354 CG GLU A 23 12.315 0.779 -5.648 1.00 2.20 C ATOM 355 CD GLU A 23 12.756 1.949 -6.502 1.00 2.88 C ATOM 356 OE1 GLU A 23 13.170 2.986 -5.947 1.00 3.25 O ATOM 357 OE2 GLU A 23 12.721 1.820 -7.748 1.00 3.39 O ATOM 0 H GLU A 23 9.684 3.368 -4.420 1.00 0.92 H new ATOM 0 HA GLU A 23 9.965 1.188 -6.414 1.00 0.94 H new ATOM 0 HB2 GLU A 23 11.511 1.847 -3.986 1.00 1.69 H new ATOM 0 HB3 GLU A 23 10.944 0.194 -4.122 1.00 1.69 H new ATOM 0 HG2 GLU A 23 13.169 0.424 -5.072 1.00 2.20 H new ATOM 0 HG3 GLU A 23 12.010 -0.038 -6.302 1.00 2.20 H new ATOM 364 N GLY A 24 8.088 0.021 -5.113 1.00 0.54 N ATOM 365 CA GLY A 24 6.707 -0.199 -4.732 1.00 0.46 C ATOM 366 C GLY A 24 6.417 -1.409 -3.873 1.00 0.33 C ATOM 367 O GLY A 24 7.310 -2.116 -3.427 1.00 0.39 O ATOM 0 H GLY A 24 8.512 -0.696 -5.702 1.00 0.54 H new ATOM 0 HA2 GLY A 24 6.357 0.686 -4.200 1.00 0.46 H new ATOM 0 HA3 GLY A 24 6.113 -0.279 -5.642 1.00 0.46 H new ATOM 371 N SER A 25 5.126 -1.568 -3.623 1.00 0.28 N ATOM 372 CA SER A 25 4.512 -2.729 -3.005 1.00 0.30 C ATOM 373 C SER A 25 3.042 -2.641 -3.357 1.00 0.32 C ATOM 374 O SER A 25 2.146 -2.970 -2.584 1.00 0.39 O ATOM 375 CB SER A 25 4.674 -2.731 -1.501 1.00 0.37 C ATOM 376 OG SER A 25 3.989 -1.641 -0.921 1.00 1.20 O ATOM 0 H SER A 25 4.442 -0.849 -3.860 1.00 0.28 H new ATOM 0 HA SER A 25 4.983 -3.644 -3.364 1.00 0.30 H new ATOM 0 HB2 SER A 25 4.292 -3.666 -1.091 1.00 0.37 H new ATOM 0 HB3 SER A 25 5.732 -2.679 -1.245 1.00 0.37 H new ATOM 0 HG SER A 25 3.076 -1.913 -0.693 1.00 1.20 H new ATOM 382 N VAL A 26 2.836 -2.155 -4.549 1.00 0.28 N ATOM 383 CA VAL A 26 1.533 -1.786 -5.044 1.00 0.30 C ATOM 384 C VAL A 26 1.371 -2.359 -6.436 1.00 0.30 C ATOM 385 O VAL A 26 2.369 -2.636 -7.096 1.00 0.30 O ATOM 386 CB VAL A 26 1.396 -0.244 -5.080 1.00 0.33 C ATOM 387 CG1 VAL A 26 1.262 0.319 -3.677 1.00 0.93 C ATOM 388 CG2 VAL A 26 2.604 0.364 -5.775 1.00 0.88 C ATOM 0 H VAL A 26 3.586 -1.999 -5.222 1.00 0.28 H new ATOM 0 HA VAL A 26 0.758 -2.182 -4.388 1.00 0.30 H new ATOM 0 HB VAL A 26 0.494 0.011 -5.637 1.00 0.33 H new ATOM 0 HG11 VAL A 26 1.167 1.404 -3.728 1.00 0.93 H new ATOM 0 HG12 VAL A 26 0.377 -0.101 -3.200 1.00 0.93 H new ATOM 0 HG13 VAL A 26 2.146 0.059 -3.095 1.00 0.93 H new ATOM 0 HG21 VAL A 26 2.503 1.449 -5.798 1.00 0.88 H new ATOM 0 HG22 VAL A 26 3.510 0.095 -5.232 1.00 0.88 H new ATOM 0 HG23 VAL A 26 2.667 -0.016 -6.795 1.00 0.88 H new ATOM 398 N THR A 27 0.138 -2.597 -6.848 1.00 0.33 N ATOM 399 CA THR A 27 -0.136 -2.996 -8.220 1.00 0.36 C ATOM 400 C THR A 27 -1.644 -3.053 -8.511 1.00 0.38 C ATOM 401 O THR A 27 -2.073 -2.743 -9.624 1.00 0.48 O ATOM 402 CB THR A 27 0.546 -4.347 -8.554 1.00 0.39 C ATOM 403 OG1 THR A 27 0.259 -4.749 -9.899 1.00 0.47 O ATOM 404 CG2 THR A 27 0.134 -5.434 -7.571 1.00 0.39 C ATOM 0 H THR A 27 -0.688 -2.522 -6.255 1.00 0.33 H new ATOM 0 HA THR A 27 0.290 -2.231 -8.869 1.00 0.36 H new ATOM 0 HB THR A 27 1.622 -4.202 -8.462 1.00 0.39 H new ATOM 0 HG1 THR A 27 0.701 -5.603 -10.087 1.00 0.47 H new ATOM 0 HG21 THR A 27 0.630 -6.369 -7.833 1.00 0.39 H new ATOM 0 HG22 THR A 27 0.423 -5.141 -6.562 1.00 0.39 H new ATOM 0 HG23 THR A 27 -0.946 -5.572 -7.613 1.00 0.39 H new ATOM 412 N ASP A 28 -2.452 -3.427 -7.519 1.00 0.35 N ATOM 413 CA ASP A 28 -3.905 -3.501 -7.707 1.00 0.42 C ATOM 414 C ASP A 28 -4.604 -3.571 -6.358 1.00 0.35 C ATOM 415 O ASP A 28 -4.001 -3.972 -5.370 1.00 0.37 O ATOM 416 CB ASP A 28 -4.272 -4.742 -8.535 1.00 0.57 C ATOM 417 CG ASP A 28 -5.570 -4.591 -9.311 1.00 1.08 C ATOM 418 OD1 ASP A 28 -6.636 -4.454 -8.671 1.00 1.44 O ATOM 419 OD2 ASP A 28 -5.537 -4.592 -10.555 1.00 1.69 O ATOM 0 H ASP A 28 -2.131 -3.682 -6.585 1.00 0.35 H new ATOM 0 HA ASP A 28 -4.230 -2.606 -8.237 1.00 0.42 H new ATOM 0 HB2 ASP A 28 -3.463 -4.955 -9.234 1.00 0.57 H new ATOM 0 HB3 ASP A 28 -4.353 -5.602 -7.870 1.00 0.57 H new ATOM 424 N VAL A 29 -5.863 -3.168 -6.313 1.00 0.39 N ATOM 425 CA VAL A 29 -6.672 -3.287 -5.105 1.00 0.41 C ATOM 426 C VAL A 29 -8.116 -3.623 -5.486 1.00 0.37 C ATOM 427 O VAL A 29 -8.697 -2.994 -6.372 1.00 0.42 O ATOM 428 CB VAL A 29 -6.639 -2.002 -4.239 1.00 0.60 C ATOM 429 CG1 VAL A 29 -7.584 -2.136 -3.061 1.00 1.13 C ATOM 430 CG2 VAL A 29 -5.230 -1.704 -3.733 1.00 1.14 C ATOM 0 H VAL A 29 -6.353 -2.752 -7.105 1.00 0.39 H new ATOM 0 HA VAL A 29 -6.245 -4.089 -4.503 1.00 0.41 H new ATOM 0 HB VAL A 29 -6.959 -1.173 -4.870 1.00 0.60 H new ATOM 0 HG11 VAL A 29 -7.550 -1.226 -2.462 1.00 1.13 H new ATOM 0 HG12 VAL A 29 -8.599 -2.293 -3.425 1.00 1.13 H new ATOM 0 HG13 VAL A 29 -7.283 -2.985 -2.448 1.00 1.13 H new ATOM 0 HG21 VAL A 29 -5.244 -0.796 -3.130 1.00 1.14 H new ATOM 0 HG22 VAL A 29 -4.878 -2.538 -3.126 1.00 1.14 H new ATOM 0 HG23 VAL A 29 -4.560 -1.565 -4.582 1.00 1.14 H new ATOM 440 N ASP A 30 -8.691 -4.611 -4.813 1.00 0.37 N ATOM 441 CA ASP A 30 -10.005 -5.130 -5.171 1.00 0.38 C ATOM 442 C ASP A 30 -11.027 -4.819 -4.095 1.00 0.42 C ATOM 443 O ASP A 30 -10.853 -5.191 -2.933 1.00 0.54 O ATOM 444 CB ASP A 30 -9.958 -6.651 -5.367 1.00 0.51 C ATOM 445 CG ASP A 30 -9.170 -7.085 -6.585 1.00 1.00 C ATOM 446 OD1 ASP A 30 -9.695 -6.949 -7.710 1.00 1.16 O ATOM 447 OD2 ASP A 30 -8.040 -7.596 -6.423 1.00 1.83 O ATOM 0 H ASP A 30 -8.264 -5.072 -4.010 1.00 0.37 H new ATOM 0 HA ASP A 30 -10.296 -4.646 -6.103 1.00 0.38 H new ATOM 0 HB2 ASP A 30 -9.520 -7.109 -4.480 1.00 0.51 H new ATOM 0 HB3 ASP A 30 -10.977 -7.029 -5.451 1.00 0.51 H new ATOM 452 N LEU A 31 -12.099 -4.159 -4.488 1.00 0.47 N ATOM 453 CA LEU A 31 -13.188 -3.866 -3.572 1.00 0.57 C ATOM 454 C LEU A 31 -14.175 -5.024 -3.560 1.00 0.58 C ATOM 455 O LEU A 31 -14.722 -5.399 -4.598 1.00 0.67 O ATOM 456 CB LEU A 31 -13.885 -2.550 -3.975 1.00 0.71 C ATOM 457 CG LEU A 31 -15.020 -2.055 -3.054 1.00 0.85 C ATOM 458 CD1 LEU A 31 -16.324 -2.787 -3.337 1.00 0.94 C ATOM 459 CD2 LEU A 31 -14.639 -2.210 -1.586 1.00 0.86 C ATOM 0 H LEU A 31 -12.241 -3.814 -5.437 1.00 0.47 H new ATOM 0 HA LEU A 31 -12.788 -3.741 -2.566 1.00 0.57 H new ATOM 0 HB2 LEU A 31 -13.128 -1.768 -4.032 1.00 0.71 H new ATOM 0 HB3 LEU A 31 -14.291 -2.674 -4.979 1.00 0.71 H new ATOM 0 HG LEU A 31 -15.171 -0.996 -3.265 1.00 0.85 H new ATOM 0 HD11 LEU A 31 -17.102 -2.414 -2.671 1.00 0.94 H new ATOM 0 HD12 LEU A 31 -16.620 -2.616 -4.372 1.00 0.94 H new ATOM 0 HD13 LEU A 31 -16.185 -3.855 -3.171 1.00 0.94 H new ATOM 0 HD21 LEU A 31 -15.456 -1.854 -0.958 1.00 0.86 H new ATOM 0 HD22 LEU A 31 -14.446 -3.261 -1.369 1.00 0.86 H new ATOM 0 HD23 LEU A 31 -13.742 -1.626 -1.379 1.00 0.86 H new ATOM 471 N LYS A 32 -14.379 -5.606 -2.390 1.00 0.56 N ATOM 472 CA LYS A 32 -15.424 -6.595 -2.208 1.00 0.60 C ATOM 473 C LYS A 32 -16.205 -6.285 -0.934 1.00 0.82 C ATOM 474 O LYS A 32 -16.637 -5.148 -0.747 1.00 1.33 O ATOM 475 CB LYS A 32 -14.868 -8.025 -2.190 1.00 0.62 C ATOM 476 CG LYS A 32 -13.760 -8.265 -1.179 1.00 0.65 C ATOM 477 CD LYS A 32 -12.386 -7.928 -1.749 1.00 0.90 C ATOM 478 CE LYS A 32 -12.143 -8.583 -3.107 1.00 1.10 C ATOM 479 NZ LYS A 32 -12.247 -10.068 -3.061 1.00 1.32 N ATOM 0 H LYS A 32 -13.833 -5.409 -1.551 1.00 0.56 H new ATOM 0 HA LYS A 32 -16.100 -6.540 -3.061 1.00 0.60 H new ATOM 0 HB2 LYS A 32 -15.686 -8.715 -1.982 1.00 0.62 H new ATOM 0 HB3 LYS A 32 -14.492 -8.266 -3.184 1.00 0.62 H new ATOM 0 HG2 LYS A 32 -13.942 -7.661 -0.290 1.00 0.65 H new ATOM 0 HG3 LYS A 32 -13.776 -9.308 -0.864 1.00 0.65 H new ATOM 0 HD2 LYS A 32 -12.292 -6.847 -1.848 1.00 0.90 H new ATOM 0 HD3 LYS A 32 -11.616 -8.252 -1.049 1.00 0.90 H new ATOM 0 HE2 LYS A 32 -12.865 -8.195 -3.826 1.00 1.10 H new ATOM 0 HE3 LYS A 32 -11.153 -8.304 -3.467 1.00 1.10 H new ATOM 0 HZ1 LYS A 32 -12.040 -10.460 -4.002 1.00 1.32 H new ATOM 0 HZ2 LYS A 32 -11.564 -10.443 -2.372 1.00 1.32 H new ATOM 0 HZ3 LYS A 32 -13.210 -10.340 -2.777 1.00 1.32 H new ATOM 493 N ASP A 33 -16.341 -7.264 -0.038 1.00 0.60 N ATOM 494 CA ASP A 33 -17.253 -7.131 1.093 1.00 0.94 C ATOM 495 C ASP A 33 -17.330 -8.395 1.925 1.00 0.53 C ATOM 496 O ASP A 33 -16.743 -9.422 1.576 1.00 1.46 O ATOM 497 CB ASP A 33 -18.657 -6.773 0.617 1.00 2.08 C ATOM 498 CG ASP A 33 -19.239 -7.767 -0.377 1.00 2.37 C ATOM 499 OD1 ASP A 33 -19.827 -8.783 0.056 1.00 2.32 O ATOM 500 OD2 ASP A 33 -19.126 -7.530 -1.604 1.00 2.85 O ATOM 0 H ASP A 33 -15.835 -8.149 -0.075 1.00 0.60 H new ATOM 0 HA ASP A 33 -16.852 -6.332 1.716 1.00 0.94 H new ATOM 0 HB2 ASP A 33 -19.318 -6.708 1.481 1.00 2.08 H new ATOM 0 HB3 ASP A 33 -18.634 -5.785 0.158 1.00 2.08 H new ATOM 505 N VAL A 34 -18.064 -8.298 3.032 1.00 0.54 N ATOM 506 CA VAL A 34 -18.313 -9.433 3.896 1.00 1.14 C ATOM 507 C VAL A 34 -19.540 -9.190 4.786 1.00 0.77 C ATOM 508 O VAL A 34 -19.487 -8.459 5.780 1.00 0.92 O ATOM 509 CB VAL A 34 -17.076 -9.776 4.759 1.00 2.31 C ATOM 510 CG1 VAL A 34 -16.734 -8.660 5.729 1.00 2.83 C ATOM 511 CG2 VAL A 34 -17.270 -11.098 5.489 1.00 3.26 C ATOM 0 H VAL A 34 -18.498 -7.431 3.348 1.00 0.54 H new ATOM 0 HA VAL A 34 -18.518 -10.289 3.253 1.00 1.14 H new ATOM 0 HB VAL A 34 -16.229 -9.883 4.082 1.00 2.31 H new ATOM 0 HG11 VAL A 34 -15.859 -8.943 6.315 1.00 2.83 H new ATOM 0 HG12 VAL A 34 -16.519 -7.748 5.173 1.00 2.83 H new ATOM 0 HG13 VAL A 34 -17.578 -8.487 6.397 1.00 2.83 H new ATOM 0 HG21 VAL A 34 -16.386 -11.316 6.088 1.00 3.26 H new ATOM 0 HG22 VAL A 34 -18.142 -11.030 6.140 1.00 3.26 H new ATOM 0 HG23 VAL A 34 -17.421 -11.896 4.762 1.00 3.26 H new ATOM 521 N ASN A 35 -20.668 -9.762 4.391 1.00 1.02 N ATOM 522 CA ASN A 35 -21.885 -9.681 5.180 1.00 1.38 C ATOM 523 C ASN A 35 -22.375 -8.233 5.198 1.00 1.25 C ATOM 524 O ASN A 35 -22.937 -7.750 4.217 1.00 1.86 O ATOM 525 CB ASN A 35 -21.610 -10.216 6.602 1.00 1.73 C ATOM 526 CG ASN A 35 -22.729 -9.966 7.591 1.00 2.46 C ATOM 527 OD1 ASN A 35 -22.337 -9.649 8.813 1.00 3.16 O flip ATOM 528 ND2 ASN A 35 -23.911 -10.027 7.258 1.00 2.69 N flip ATOM 0 H ASN A 35 -20.764 -10.290 3.523 1.00 1.02 H new ATOM 0 HA ASN A 35 -22.670 -10.296 4.740 1.00 1.38 H new ATOM 0 HB2 ASN A 35 -21.425 -11.289 6.544 1.00 1.73 H new ATOM 0 HB3 ASN A 35 -20.697 -9.755 6.980 1.00 1.73 H new ATOM 0 HD21 ASN A 35 -24.159 -10.277 6.301 1.00 2.69 H new ATOM 0 HD22 ASN A 35 -24.644 -9.828 7.939 1.00 2.69 H new ATOM 535 N ARG A 36 -22.142 -7.558 6.310 1.00 0.85 N ATOM 536 CA ARG A 36 -22.382 -6.145 6.452 1.00 1.08 C ATOM 537 C ARG A 36 -21.849 -5.731 7.798 1.00 0.99 C ATOM 538 O ARG A 36 -22.317 -4.791 8.438 1.00 1.18 O ATOM 539 CB ARG A 36 -23.868 -5.854 6.344 1.00 1.64 C ATOM 540 CG ARG A 36 -24.709 -6.584 7.381 1.00 2.03 C ATOM 541 CD ARG A 36 -25.817 -7.370 6.710 1.00 2.67 C ATOM 542 NE ARG A 36 -26.535 -6.530 5.765 1.00 3.55 N ATOM 543 CZ ARG A 36 -27.515 -6.953 4.968 1.00 4.51 C ATOM 544 NH1 ARG A 36 -27.863 -8.236 4.954 1.00 4.82 N ATOM 545 NH2 ARG A 36 -28.143 -6.087 4.179 1.00 5.46 N ATOM 0 H ARG A 36 -21.772 -7.993 7.155 1.00 0.85 H new ATOM 0 HA ARG A 36 -21.882 -5.584 5.662 1.00 1.08 H new ATOM 0 HB2 ARG A 36 -24.028 -4.781 6.449 1.00 1.64 H new ATOM 0 HB3 ARG A 36 -24.213 -6.132 5.348 1.00 1.64 H new ATOM 0 HG2 ARG A 36 -24.078 -7.257 7.961 1.00 2.03 H new ATOM 0 HG3 ARG A 36 -25.137 -5.866 8.081 1.00 2.03 H new ATOM 0 HD2 ARG A 36 -25.397 -8.233 6.193 1.00 2.67 H new ATOM 0 HD3 ARG A 36 -26.506 -7.753 7.462 1.00 2.67 H new ATOM 0 HE ARG A 36 -26.269 -5.547 5.708 1.00 3.55 H new ATOM 0 HH11 ARG A 36 -27.379 -8.902 5.556 1.00 4.82 H new ATOM 0 HH12 ARG A 36 -28.614 -8.554 4.342 1.00 4.82 H new ATOM 0 HH21 ARG A 36 -27.874 -5.103 4.185 1.00 5.46 H new ATOM 0 HH22 ARG A 36 -28.894 -6.406 3.567 1.00 5.46 H new ATOM 559 N ASP A 37 -20.823 -6.449 8.179 1.00 0.82 N ATOM 560 CA ASP A 37 -20.179 -6.276 9.465 1.00 0.91 C ATOM 561 C ASP A 37 -18.952 -5.464 9.209 1.00 0.73 C ATOM 562 O ASP A 37 -18.607 -4.515 9.915 1.00 0.84 O ATOM 563 CB ASP A 37 -19.776 -7.632 10.026 1.00 1.10 C ATOM 564 CG ASP A 37 -20.380 -7.912 11.382 1.00 1.48 C ATOM 565 OD1 ASP A 37 -19.863 -7.382 12.386 1.00 1.92 O ATOM 566 OD2 ASP A 37 -21.383 -8.651 11.445 1.00 1.80 O ATOM 0 H ASP A 37 -20.404 -7.179 7.602 1.00 0.82 H new ATOM 0 HA ASP A 37 -20.844 -5.792 10.180 1.00 0.91 H new ATOM 0 HB2 ASP A 37 -20.082 -8.413 9.330 1.00 1.10 H new ATOM 0 HB3 ASP A 37 -18.690 -7.680 10.101 1.00 1.10 H new ATOM 571 N SER A 38 -18.324 -5.874 8.143 1.00 0.54 N ATOM 572 CA SER A 38 -17.179 -5.221 7.584 1.00 0.48 C ATOM 573 C SER A 38 -17.245 -5.487 6.096 1.00 0.50 C ATOM 574 O SER A 38 -18.195 -6.116 5.636 1.00 0.94 O ATOM 575 CB SER A 38 -15.906 -5.796 8.213 1.00 0.55 C ATOM 576 OG SER A 38 -14.742 -5.145 7.734 1.00 0.76 O ATOM 0 H SER A 38 -18.608 -6.703 7.622 1.00 0.54 H new ATOM 0 HA SER A 38 -17.166 -4.149 7.778 1.00 0.48 H new ATOM 0 HB2 SER A 38 -15.959 -5.695 9.297 1.00 0.55 H new ATOM 0 HB3 SER A 38 -15.842 -6.862 7.995 1.00 0.55 H new ATOM 0 HG SER A 38 -13.950 -5.537 8.158 1.00 0.76 H new ATOM 582 N VAL A 39 -16.322 -4.967 5.336 1.00 0.33 N ATOM 583 CA VAL A 39 -16.138 -5.432 3.996 1.00 0.35 C ATOM 584 C VAL A 39 -14.681 -5.757 3.775 1.00 0.31 C ATOM 585 O VAL A 39 -13.859 -5.629 4.684 1.00 0.34 O ATOM 586 CB VAL A 39 -16.616 -4.447 2.937 1.00 0.43 C ATOM 587 CG1 VAL A 39 -18.135 -4.359 2.912 1.00 0.86 C ATOM 588 CG2 VAL A 39 -16.000 -3.093 3.126 1.00 0.86 C ATOM 0 H VAL A 39 -15.688 -4.222 5.624 1.00 0.33 H new ATOM 0 HA VAL A 39 -16.755 -6.324 3.884 1.00 0.35 H new ATOM 0 HB VAL A 39 -16.287 -4.825 1.969 1.00 0.43 H new ATOM 0 HG11 VAL A 39 -18.446 -3.648 2.146 1.00 0.86 H new ATOM 0 HG12 VAL A 39 -18.553 -5.340 2.687 1.00 0.86 H new ATOM 0 HG13 VAL A 39 -18.496 -4.025 3.885 1.00 0.86 H new ATOM 0 HG21 VAL A 39 -16.364 -2.417 2.353 1.00 0.86 H new ATOM 0 HG22 VAL A 39 -16.272 -2.703 4.107 1.00 0.86 H new ATOM 0 HG23 VAL A 39 -14.915 -3.174 3.056 1.00 0.86 H new ATOM 598 N GLU A 40 -14.355 -6.205 2.594 1.00 0.33 N ATOM 599 CA GLU A 40 -13.027 -6.695 2.356 1.00 0.36 C ATOM 600 C GLU A 40 -12.340 -5.972 1.211 1.00 0.38 C ATOM 601 O GLU A 40 -12.967 -5.601 0.217 1.00 0.50 O ATOM 602 CB GLU A 40 -13.096 -8.194 2.124 1.00 0.52 C ATOM 603 CG GLU A 40 -13.268 -8.967 3.419 1.00 0.62 C ATOM 604 CD GLU A 40 -13.483 -10.450 3.203 1.00 0.89 C ATOM 605 OE1 GLU A 40 -13.177 -10.949 2.101 1.00 1.16 O ATOM 606 OE2 GLU A 40 -13.949 -11.128 4.139 1.00 1.19 O ATOM 0 H GLU A 40 -14.982 -6.241 1.791 1.00 0.33 H new ATOM 0 HA GLU A 40 -12.413 -6.494 3.234 1.00 0.36 H new ATOM 0 HB2 GLU A 40 -13.927 -8.419 1.456 1.00 0.52 H new ATOM 0 HB3 GLU A 40 -12.186 -8.525 1.623 1.00 0.52 H new ATOM 0 HG2 GLU A 40 -12.385 -8.821 4.042 1.00 0.62 H new ATOM 0 HG3 GLU A 40 -14.117 -8.559 3.968 1.00 0.62 H new ATOM 613 N TYR A 41 -11.048 -5.750 1.382 1.00 0.37 N ATOM 614 CA TYR A 41 -10.233 -5.125 0.344 1.00 0.56 C ATOM 615 C TYR A 41 -9.072 -6.032 -0.010 1.00 0.43 C ATOM 616 O TYR A 41 -8.106 -6.130 0.748 1.00 0.40 O ATOM 617 CB TYR A 41 -9.670 -3.786 0.822 1.00 0.89 C ATOM 618 CG TYR A 41 -10.021 -2.598 -0.042 1.00 0.86 C ATOM 619 CD1 TYR A 41 -11.043 -2.689 -0.980 1.00 1.65 C ATOM 620 CD2 TYR A 41 -9.345 -1.392 0.072 1.00 1.30 C ATOM 621 CE1 TYR A 41 -11.378 -1.615 -1.779 1.00 2.63 C ATOM 622 CE2 TYR A 41 -9.678 -0.313 -0.724 1.00 2.04 C ATOM 623 CZ TYR A 41 -10.640 -0.397 -1.620 1.00 2.72 C ATOM 624 OH TYR A 41 -11.019 0.646 -2.436 1.00 3.73 O ATOM 0 H TYR A 41 -10.536 -5.992 2.230 1.00 0.37 H new ATOM 0 HA TYR A 41 -10.868 -4.959 -0.526 1.00 0.56 H new ATOM 0 HB2 TYR A 41 -10.030 -3.599 1.834 1.00 0.89 H new ATOM 0 HB3 TYR A 41 -8.584 -3.866 0.879 1.00 0.89 H new ATOM 0 HD1 TYR A 41 -11.585 -3.617 -1.085 1.00 1.65 H new ATOM 0 HD2 TYR A 41 -8.547 -1.295 0.793 1.00 1.30 H new ATOM 0 HE1 TYR A 41 -12.175 -1.690 -2.504 1.00 2.63 H new ATOM 0 HE2 TYR A 41 -9.140 0.616 -0.610 1.00 2.04 H new ATOM 0 HH TYR A 41 -11.317 1.400 -1.886 1.00 3.73 H new ATOM 634 N LEU A 42 -9.166 -6.695 -1.145 1.00 0.41 N ATOM 635 CA LEU A 42 -8.061 -7.516 -1.617 1.00 0.38 C ATOM 636 C LEU A 42 -6.993 -6.590 -2.172 1.00 0.34 C ATOM 637 O LEU A 42 -7.188 -5.964 -3.204 1.00 0.38 O ATOM 638 CB LEU A 42 -8.532 -8.497 -2.704 1.00 0.49 C ATOM 639 CG LEU A 42 -7.715 -9.793 -2.858 1.00 0.55 C ATOM 640 CD1 LEU A 42 -6.233 -9.512 -3.052 1.00 0.71 C ATOM 641 CD2 LEU A 42 -7.928 -10.706 -1.666 1.00 0.81 C ATOM 0 H LEU A 42 -9.984 -6.685 -1.754 1.00 0.41 H new ATOM 0 HA LEU A 42 -7.662 -8.107 -0.793 1.00 0.38 H new ATOM 0 HB2 LEU A 42 -9.567 -8.768 -2.494 1.00 0.49 H new ATOM 0 HB3 LEU A 42 -8.527 -7.975 -3.661 1.00 0.49 H new ATOM 0 HG LEU A 42 -8.074 -10.296 -3.756 1.00 0.55 H new ATOM 0 HD11 LEU A 42 -5.695 -10.454 -3.156 1.00 0.71 H new ATOM 0 HD12 LEU A 42 -6.091 -8.912 -3.951 1.00 0.71 H new ATOM 0 HD13 LEU A 42 -5.850 -8.969 -2.188 1.00 0.71 H new ATOM 0 HD21 LEU A 42 -7.342 -11.616 -1.795 1.00 0.81 H new ATOM 0 HD22 LEU A 42 -7.611 -10.196 -0.756 1.00 0.81 H new ATOM 0 HD23 LEU A 42 -8.984 -10.963 -1.589 1.00 0.81 H new ATOM 653 N ALA A 43 -5.867 -6.503 -1.502 1.00 0.33 N ATOM 654 CA ALA A 43 -4.838 -5.577 -1.915 1.00 0.36 C ATOM 655 C ALA A 43 -3.702 -6.327 -2.567 1.00 0.35 C ATOM 656 O ALA A 43 -2.959 -7.063 -1.921 1.00 0.37 O ATOM 657 CB ALA A 43 -4.348 -4.729 -0.750 1.00 0.42 C ATOM 0 H ALA A 43 -5.641 -7.057 -0.676 1.00 0.33 H new ATOM 0 HA ALA A 43 -5.266 -4.891 -2.646 1.00 0.36 H new ATOM 0 HB1 ALA A 43 -3.575 -4.044 -1.098 1.00 0.42 H new ATOM 0 HB2 ALA A 43 -5.181 -4.157 -0.340 1.00 0.42 H new ATOM 0 HB3 ALA A 43 -3.937 -5.377 0.024 1.00 0.42 H new ATOM 663 N LYS A 44 -3.595 -6.143 -3.858 1.00 0.38 N ATOM 664 CA LYS A 44 -2.569 -6.777 -4.641 1.00 0.39 C ATOM 665 C LYS A 44 -1.299 -5.952 -4.549 1.00 0.36 C ATOM 666 O LYS A 44 -1.287 -4.757 -4.862 1.00 0.47 O ATOM 667 CB LYS A 44 -3.024 -6.868 -6.084 1.00 0.53 C ATOM 668 CG LYS A 44 -4.197 -7.802 -6.334 1.00 0.95 C ATOM 669 CD LYS A 44 -3.876 -9.240 -5.968 1.00 1.58 C ATOM 670 CE LYS A 44 -4.888 -10.198 -6.577 1.00 1.61 C ATOM 671 NZ LYS A 44 -6.294 -9.806 -6.272 1.00 2.63 N ATOM 0 H LYS A 44 -4.221 -5.545 -4.397 1.00 0.38 H new ATOM 0 HA LYS A 44 -2.377 -7.782 -4.264 1.00 0.39 H new ATOM 0 HB2 LYS A 44 -3.296 -5.869 -6.426 1.00 0.53 H new ATOM 0 HB3 LYS A 44 -2.182 -7.196 -6.694 1.00 0.53 H new ATOM 0 HG2 LYS A 44 -5.057 -7.465 -5.755 1.00 0.95 H new ATOM 0 HG3 LYS A 44 -4.481 -7.752 -7.385 1.00 0.95 H new ATOM 0 HD2 LYS A 44 -2.875 -9.493 -6.317 1.00 1.58 H new ATOM 0 HD3 LYS A 44 -3.872 -9.351 -4.884 1.00 1.58 H new ATOM 0 HE2 LYS A 44 -4.749 -10.231 -7.658 1.00 1.61 H new ATOM 0 HE3 LYS A 44 -4.704 -11.204 -6.201 1.00 1.61 H new ATOM 0 HZ1 LYS A 44 -6.883 -9.941 -7.118 1.00 2.63 H new ATOM 0 HZ2 LYS A 44 -6.659 -10.397 -5.498 1.00 2.63 H new ATOM 0 HZ3 LYS A 44 -6.322 -8.806 -5.987 1.00 2.63 H new ATOM 685 N VAL A 45 -0.240 -6.589 -4.116 1.00 0.31 N ATOM 686 CA VAL A 45 1.006 -5.907 -3.849 1.00 0.33 C ATOM 687 C VAL A 45 2.073 -6.308 -4.848 1.00 0.28 C ATOM 688 O VAL A 45 2.173 -7.464 -5.246 1.00 0.30 O ATOM 689 CB VAL A 45 1.492 -6.232 -2.424 1.00 0.44 C ATOM 690 CG1 VAL A 45 2.913 -5.749 -2.199 1.00 0.82 C ATOM 691 CG2 VAL A 45 0.550 -5.623 -1.398 1.00 0.51 C ATOM 0 H VAL A 45 -0.215 -7.593 -3.938 1.00 0.31 H new ATOM 0 HA VAL A 45 0.828 -4.836 -3.941 1.00 0.33 H new ATOM 0 HB VAL A 45 1.491 -7.316 -2.305 1.00 0.44 H new ATOM 0 HG11 VAL A 45 3.224 -5.994 -1.184 1.00 0.82 H new ATOM 0 HG12 VAL A 45 3.580 -6.236 -2.911 1.00 0.82 H new ATOM 0 HG13 VAL A 45 2.957 -4.669 -2.341 1.00 0.82 H new ATOM 0 HG21 VAL A 45 0.903 -5.859 -0.394 1.00 0.51 H new ATOM 0 HG22 VAL A 45 0.521 -4.541 -1.527 1.00 0.51 H new ATOM 0 HG23 VAL A 45 -0.451 -6.031 -1.536 1.00 0.51 H new ATOM 701 N SER A 46 2.843 -5.345 -5.294 1.00 0.25 N ATOM 702 CA SER A 46 4.026 -5.643 -6.055 1.00 0.25 C ATOM 703 C SER A 46 5.202 -4.818 -5.543 1.00 0.24 C ATOM 704 O SER A 46 5.339 -3.636 -5.855 1.00 0.26 O ATOM 705 CB SER A 46 3.762 -5.422 -7.537 1.00 0.28 C ATOM 706 OG SER A 46 3.159 -6.565 -8.117 1.00 0.72 O ATOM 0 H SER A 46 2.670 -4.351 -5.142 1.00 0.25 H new ATOM 0 HA SER A 46 4.290 -6.693 -5.927 1.00 0.25 H new ATOM 0 HB2 SER A 46 3.113 -4.556 -7.670 1.00 0.28 H new ATOM 0 HB3 SER A 46 4.699 -5.200 -8.049 1.00 0.28 H new ATOM 0 HG SER A 46 2.716 -7.091 -7.419 1.00 0.72 H new ATOM 712 N VAL A 47 6.034 -5.464 -4.734 1.00 0.25 N ATOM 713 CA VAL A 47 7.138 -4.805 -4.054 1.00 0.28 C ATOM 714 C VAL A 47 8.343 -4.678 -4.969 1.00 0.28 C ATOM 715 O VAL A 47 8.786 -5.658 -5.563 1.00 0.30 O ATOM 716 CB VAL A 47 7.575 -5.576 -2.786 1.00 0.41 C ATOM 717 CG1 VAL A 47 8.682 -4.829 -2.055 1.00 1.14 C ATOM 718 CG2 VAL A 47 6.397 -5.818 -1.854 1.00 1.05 C ATOM 0 H VAL A 47 5.960 -6.461 -4.532 1.00 0.25 H new ATOM 0 HA VAL A 47 6.777 -3.817 -3.769 1.00 0.28 H new ATOM 0 HB VAL A 47 7.960 -6.545 -3.105 1.00 0.41 H new ATOM 0 HG11 VAL A 47 8.974 -5.389 -1.167 1.00 1.14 H new ATOM 0 HG12 VAL A 47 9.543 -4.719 -2.714 1.00 1.14 H new ATOM 0 HG13 VAL A 47 8.323 -3.843 -1.760 1.00 1.14 H new ATOM 0 HG21 VAL A 47 6.736 -6.362 -0.972 1.00 1.05 H new ATOM 0 HG22 VAL A 47 5.972 -4.862 -1.549 1.00 1.05 H new ATOM 0 HG23 VAL A 47 5.638 -6.404 -2.372 1.00 1.05 H new ATOM 728 N THR A 48 8.867 -3.473 -5.084 1.00 0.30 N ATOM 729 CA THR A 48 10.044 -3.242 -5.877 1.00 0.31 C ATOM 730 C THR A 48 11.213 -2.928 -4.961 1.00 0.34 C ATOM 731 O THR A 48 11.218 -1.884 -4.316 1.00 0.37 O ATOM 732 CB THR A 48 9.823 -2.073 -6.846 1.00 0.36 C ATOM 733 OG1 THR A 48 8.501 -2.151 -7.389 1.00 0.41 O ATOM 734 CG2 THR A 48 10.846 -2.105 -7.971 1.00 0.41 C ATOM 0 H THR A 48 8.489 -2.640 -4.633 1.00 0.30 H new ATOM 0 HA THR A 48 10.258 -4.139 -6.458 1.00 0.31 H new ATOM 0 HB THR A 48 9.943 -1.137 -6.301 1.00 0.36 H new ATOM 0 HG1 THR A 48 8.171 -1.248 -7.577 1.00 0.41 H new ATOM 0 HG21 THR A 48 10.671 -1.267 -8.646 1.00 0.41 H new ATOM 0 HG22 THR A 48 11.850 -2.030 -7.552 1.00 0.41 H new ATOM 0 HG23 THR A 48 10.752 -3.041 -8.522 1.00 0.41 H new ATOM 742 N ASN A 49 12.155 -3.869 -4.875 1.00 0.38 N ATOM 743 CA ASN A 49 13.397 -3.693 -4.123 1.00 0.44 C ATOM 744 C ASN A 49 14.513 -3.261 -5.078 1.00 0.42 C ATOM 745 O ASN A 49 14.743 -3.913 -6.107 1.00 0.46 O ATOM 746 CB ASN A 49 13.749 -4.994 -3.390 1.00 0.59 C ATOM 747 CG ASN A 49 15.192 -5.430 -3.577 1.00 0.73 C ATOM 748 OD1 ASN A 49 15.405 -6.382 -4.472 1.00 1.48 O flip ATOM 749 ND2 ASN A 49 16.099 -4.937 -2.907 1.00 0.76 N flip ATOM 0 H ASN A 49 12.076 -4.780 -5.328 1.00 0.38 H new ATOM 0 HA ASN A 49 13.273 -2.913 -3.372 1.00 0.44 H new ATOM 0 HB2 ASN A 49 13.553 -4.865 -2.326 1.00 0.59 H new ATOM 0 HB3 ASN A 49 13.090 -5.788 -3.742 1.00 0.59 H new ATOM 0 HD21 ASN A 49 15.891 -4.205 -2.228 1.00 0.76 H new ATOM 0 HD22 ASN A 49 17.058 -5.260 -3.031 1.00 0.76 H new ATOM 756 N PRO A 50 15.178 -2.129 -4.767 1.00 0.46 N ATOM 757 CA PRO A 50 16.116 -1.454 -5.656 1.00 0.51 C ATOM 758 C PRO A 50 17.596 -1.463 -5.229 1.00 0.53 C ATOM 759 O PRO A 50 18.282 -0.460 -5.424 1.00 0.65 O ATOM 760 CB PRO A 50 15.588 -0.034 -5.520 1.00 0.64 C ATOM 761 CG PRO A 50 15.226 0.082 -4.063 1.00 0.73 C ATOM 762 CD PRO A 50 14.993 -1.329 -3.553 1.00 0.55 C ATOM 0 HA PRO A 50 16.146 -1.922 -6.640 1.00 0.51 H new ATOM 0 HB2 PRO A 50 16.341 0.701 -5.804 1.00 0.64 H new ATOM 0 HB3 PRO A 50 14.722 0.133 -6.161 1.00 0.64 H new ATOM 0 HG2 PRO A 50 16.026 0.568 -3.504 1.00 0.73 H new ATOM 0 HG3 PRO A 50 14.332 0.692 -3.935 1.00 0.73 H new ATOM 0 HD2 PRO A 50 15.703 -1.603 -2.772 1.00 0.55 H new ATOM 0 HD3 PRO A 50 13.995 -1.451 -3.133 1.00 0.55 H new ATOM 770 N TYR A 51 18.123 -2.552 -4.680 1.00 0.53 N ATOM 771 CA TYR A 51 19.538 -2.537 -4.289 1.00 0.68 C ATOM 772 C TYR A 51 20.367 -3.547 -5.083 1.00 0.88 C ATOM 773 O TYR A 51 21.587 -3.567 -4.965 1.00 1.88 O ATOM 774 CB TYR A 51 19.698 -2.779 -2.789 1.00 0.74 C ATOM 775 CG TYR A 51 21.065 -2.376 -2.274 1.00 0.88 C ATOM 776 CD1 TYR A 51 21.564 -1.102 -2.519 1.00 1.22 C ATOM 777 CD2 TYR A 51 21.851 -3.259 -1.545 1.00 1.06 C ATOM 778 CE1 TYR A 51 22.807 -0.718 -2.052 1.00 1.63 C ATOM 779 CE2 TYR A 51 23.097 -2.882 -1.075 1.00 1.36 C ATOM 780 CZ TYR A 51 23.569 -1.611 -1.329 1.00 1.64 C ATOM 781 OH TYR A 51 24.802 -1.228 -0.853 1.00 2.08 O ATOM 0 H TYR A 51 17.623 -3.423 -4.499 1.00 0.53 H new ATOM 0 HA TYR A 51 19.918 -1.543 -4.524 1.00 0.68 H new ATOM 0 HB2 TYR A 51 18.932 -2.220 -2.251 1.00 0.74 H new ATOM 0 HB3 TYR A 51 19.531 -3.835 -2.576 1.00 0.74 H new ATOM 0 HD1 TYR A 51 20.970 -0.399 -3.084 1.00 1.22 H new ATOM 0 HD2 TYR A 51 21.485 -4.254 -1.342 1.00 1.06 H new ATOM 0 HE1 TYR A 51 23.179 0.276 -2.252 1.00 1.63 H new ATOM 0 HE2 TYR A 51 23.698 -3.581 -0.511 1.00 1.36 H new ATOM 0 HH TYR A 51 25.209 -1.973 -0.364 1.00 2.08 H new ATOM 791 N SER A 52 19.669 -4.413 -5.813 1.00 0.69 N ATOM 792 CA SER A 52 20.233 -5.403 -6.756 1.00 0.66 C ATOM 793 C SER A 52 20.581 -6.676 -6.003 1.00 0.65 C ATOM 794 O SER A 52 21.435 -7.459 -6.407 1.00 0.77 O ATOM 795 CB SER A 52 21.428 -4.874 -7.583 1.00 0.80 C ATOM 796 OG SER A 52 22.622 -4.756 -6.826 1.00 1.51 O ATOM 0 H SER A 52 18.651 -4.454 -5.769 1.00 0.69 H new ATOM 0 HA SER A 52 19.464 -5.618 -7.498 1.00 0.66 H new ATOM 0 HB2 SER A 52 21.604 -5.544 -8.425 1.00 0.80 H new ATOM 0 HB3 SER A 52 21.171 -3.900 -7.999 1.00 0.80 H new ATOM 0 HG SER A 52 22.529 -4.024 -6.181 1.00 1.51 H new ATOM 802 N HIS A 53 19.853 -6.880 -4.908 1.00 0.58 N ATOM 803 CA HIS A 53 20.017 -8.053 -4.053 1.00 0.66 C ATOM 804 C HIS A 53 18.672 -8.428 -3.451 1.00 0.65 C ATOM 805 O HIS A 53 18.009 -7.583 -2.854 1.00 1.08 O ATOM 806 CB HIS A 53 21.014 -7.779 -2.917 1.00 0.74 C ATOM 807 CG HIS A 53 22.332 -7.255 -3.388 1.00 0.95 C ATOM 808 ND1 HIS A 53 22.545 -5.923 -3.651 1.00 1.06 N ATOM 809 CD2 HIS A 53 23.487 -7.885 -3.696 1.00 1.41 C ATOM 810 CE1 HIS A 53 23.763 -5.755 -4.106 1.00 1.43 C ATOM 811 NE2 HIS A 53 24.364 -6.930 -4.143 1.00 1.67 N ATOM 0 H HIS A 53 19.131 -6.235 -4.588 1.00 0.58 H new ATOM 0 HA HIS A 53 20.403 -8.869 -4.664 1.00 0.66 H new ATOM 0 HB2 HIS A 53 20.574 -7.061 -2.225 1.00 0.74 H new ATOM 0 HB3 HIS A 53 21.178 -8.701 -2.359 1.00 0.74 H new ATOM 0 HD1 HIS A 53 21.861 -5.179 -3.513 1.00 1.06 H new ATOM 0 HD2 HIS A 53 23.683 -8.943 -3.607 1.00 1.41 H new ATOM 0 HE1 HIS A 53 24.201 -4.813 -4.401 1.00 1.43 H new ATOM 820 N SER A 54 18.249 -9.665 -3.672 1.00 0.55 N ATOM 821 CA SER A 54 17.076 -10.221 -3.033 1.00 0.51 C ATOM 822 C SER A 54 17.083 -9.994 -1.535 1.00 0.47 C ATOM 823 O SER A 54 17.723 -10.738 -0.821 1.00 0.51 O ATOM 824 CB SER A 54 17.042 -11.727 -3.286 1.00 0.61 C ATOM 825 OG SER A 54 17.438 -12.040 -4.610 1.00 1.39 O ATOM 0 H SER A 54 18.718 -10.312 -4.306 1.00 0.55 H new ATOM 0 HA SER A 54 16.202 -9.723 -3.453 1.00 0.51 H new ATOM 0 HB2 SER A 54 17.701 -12.231 -2.579 1.00 0.61 H new ATOM 0 HB3 SER A 54 16.035 -12.104 -3.107 1.00 0.61 H new ATOM 0 HG SER A 54 17.116 -11.345 -5.221 1.00 1.39 H new ATOM 831 N ILE A 55 16.283 -9.063 -1.045 1.00 0.44 N ATOM 832 CA ILE A 55 16.291 -8.770 0.382 1.00 0.49 C ATOM 833 C ILE A 55 15.576 -9.892 1.097 1.00 0.58 C ATOM 834 O ILE A 55 15.066 -10.769 0.440 1.00 1.03 O ATOM 835 CB ILE A 55 15.584 -7.438 0.709 1.00 0.49 C ATOM 836 CG1 ILE A 55 14.330 -7.257 -0.146 1.00 0.47 C ATOM 837 CG2 ILE A 55 16.537 -6.270 0.517 1.00 0.48 C ATOM 838 CD1 ILE A 55 13.430 -6.139 0.329 1.00 0.56 C ATOM 0 H ILE A 55 15.632 -8.506 -1.598 1.00 0.44 H new ATOM 0 HA ILE A 55 17.327 -8.681 0.707 1.00 0.49 H new ATOM 0 HB ILE A 55 15.276 -7.466 1.754 1.00 0.49 H new ATOM 0 HG12 ILE A 55 14.628 -7.060 -1.176 1.00 0.47 H new ATOM 0 HG13 ILE A 55 13.766 -8.190 -0.150 1.00 0.47 H new ATOM 0 HG21 ILE A 55 16.022 -5.338 0.752 1.00 0.48 H new ATOM 0 HG22 ILE A 55 17.395 -6.388 1.179 1.00 0.48 H new ATOM 0 HG23 ILE A 55 16.878 -6.245 -0.518 1.00 0.48 H new ATOM 0 HD11 ILE A 55 12.561 -6.069 -0.325 1.00 0.56 H new ATOM 0 HD12 ILE A 55 13.102 -6.344 1.348 1.00 0.56 H new ATOM 0 HD13 ILE A 55 13.978 -5.197 0.307 1.00 0.56 H new ATOM 850 N PRO A 56 15.612 -9.957 2.428 1.00 0.35 N ATOM 851 CA PRO A 56 14.947 -11.019 3.158 1.00 0.34 C ATOM 852 C PRO A 56 13.524 -10.683 3.605 1.00 0.30 C ATOM 853 O PRO A 56 12.564 -11.330 3.193 1.00 0.32 O ATOM 854 CB PRO A 56 15.837 -11.210 4.382 1.00 0.37 C ATOM 855 CG PRO A 56 16.763 -10.024 4.436 1.00 0.35 C ATOM 856 CD PRO A 56 16.363 -9.088 3.327 1.00 0.35 C ATOM 0 HA PRO A 56 14.828 -11.900 2.528 1.00 0.34 H new ATOM 0 HB2 PRO A 56 15.237 -11.274 5.290 1.00 0.37 H new ATOM 0 HB3 PRO A 56 16.402 -12.139 4.308 1.00 0.37 H new ATOM 0 HG2 PRO A 56 16.692 -9.526 5.403 1.00 0.35 H new ATOM 0 HG3 PRO A 56 17.799 -10.341 4.316 1.00 0.35 H new ATOM 0 HD2 PRO A 56 15.754 -8.262 3.694 1.00 0.35 H new ATOM 0 HD3 PRO A 56 17.231 -8.649 2.835 1.00 0.35 H new ATOM 864 N ILE A 57 13.389 -9.689 4.469 1.00 0.29 N ATOM 865 CA ILE A 57 12.128 -9.464 5.167 1.00 0.30 C ATOM 866 C ILE A 57 11.679 -8.015 5.016 1.00 0.27 C ATOM 867 O ILE A 57 12.485 -7.150 4.679 1.00 0.30 O ATOM 868 CB ILE A 57 12.289 -9.831 6.664 1.00 0.38 C ATOM 869 CG1 ILE A 57 12.865 -11.251 6.794 1.00 0.58 C ATOM 870 CG2 ILE A 57 10.967 -9.722 7.416 1.00 0.38 C ATOM 871 CD1 ILE A 57 11.871 -12.354 6.486 1.00 1.23 C ATOM 0 H ILE A 57 14.130 -9.028 4.704 1.00 0.29 H new ATOM 0 HA ILE A 57 11.361 -10.100 4.725 1.00 0.30 H new ATOM 0 HB ILE A 57 12.980 -9.118 7.114 1.00 0.38 H new ATOM 0 HG12 ILE A 57 13.718 -11.348 6.123 1.00 0.58 H new ATOM 0 HG13 ILE A 57 13.240 -11.388 7.808 1.00 0.58 H new ATOM 0 HG21 ILE A 57 11.121 -9.987 8.462 1.00 0.38 H new ATOM 0 HG22 ILE A 57 10.595 -8.699 7.352 1.00 0.38 H new ATOM 0 HG23 ILE A 57 10.239 -10.401 6.973 1.00 0.38 H new ATOM 0 HD11 ILE A 57 12.356 -13.323 6.601 1.00 1.23 H new ATOM 0 HD12 ILE A 57 11.028 -12.286 7.174 1.00 1.23 H new ATOM 0 HD13 ILE A 57 11.514 -12.246 5.462 1.00 1.23 H new ATOM 883 N CYS A 58 10.398 -7.748 5.242 1.00 0.26 N ATOM 884 CA CYS A 58 9.879 -6.405 5.088 1.00 0.24 C ATOM 885 C CYS A 58 8.611 -6.166 5.899 1.00 0.23 C ATOM 886 O CYS A 58 8.135 -7.026 6.635 1.00 0.25 O ATOM 887 CB CYS A 58 9.596 -6.105 3.617 1.00 0.26 C ATOM 888 SG CYS A 58 8.436 -7.243 2.827 1.00 1.15 S ATOM 0 H CYS A 58 9.708 -8.442 5.530 1.00 0.26 H new ATOM 0 HA CYS A 58 10.649 -5.734 5.467 1.00 0.24 H new ATOM 0 HB2 CYS A 58 9.203 -5.092 3.536 1.00 0.26 H new ATOM 0 HB3 CYS A 58 10.537 -6.127 3.068 1.00 0.26 H new ATOM 0 HG CYS A 58 8.302 -8.306 3.563 1.00 1.15 H new ATOM 894 N GLU A 59 8.104 -4.966 5.725 1.00 0.25 N ATOM 895 CA GLU A 59 6.894 -4.510 6.366 1.00 0.27 C ATOM 896 C GLU A 59 5.995 -3.839 5.349 1.00 0.29 C ATOM 897 O GLU A 59 6.367 -2.833 4.744 1.00 0.32 O ATOM 898 CB GLU A 59 7.222 -3.531 7.498 1.00 0.32 C ATOM 899 CG GLU A 59 5.999 -2.898 8.148 1.00 0.39 C ATOM 900 CD GLU A 59 6.357 -1.704 9.011 1.00 0.67 C ATOM 901 OE1 GLU A 59 6.492 -0.591 8.464 1.00 1.36 O ATOM 902 OE2 GLU A 59 6.508 -1.874 10.236 1.00 1.04 O ATOM 0 H GLU A 59 8.532 -4.265 5.120 1.00 0.25 H new ATOM 0 HA GLU A 59 6.378 -5.372 6.790 1.00 0.27 H new ATOM 0 HB2 GLU A 59 7.796 -4.055 8.262 1.00 0.32 H new ATOM 0 HB3 GLU A 59 7.862 -2.740 7.106 1.00 0.32 H new ATOM 0 HG2 GLU A 59 5.299 -2.586 7.373 1.00 0.39 H new ATOM 0 HG3 GLU A 59 5.488 -3.643 8.757 1.00 0.39 H new ATOM 909 N ILE A 60 4.831 -4.419 5.145 1.00 0.32 N ATOM 910 CA ILE A 60 3.810 -3.759 4.371 1.00 0.34 C ATOM 911 C ILE A 60 2.841 -3.071 5.315 1.00 0.31 C ATOM 912 O ILE A 60 2.082 -3.707 6.050 1.00 0.36 O ATOM 913 CB ILE A 60 3.050 -4.696 3.385 1.00 0.48 C ATOM 914 CG1 ILE A 60 3.410 -6.172 3.578 1.00 0.33 C ATOM 915 CG2 ILE A 60 3.330 -4.290 1.947 1.00 0.99 C ATOM 916 CD1 ILE A 60 2.539 -6.886 4.585 1.00 1.05 C ATOM 0 H ILE A 60 4.573 -5.339 5.502 1.00 0.32 H new ATOM 0 HA ILE A 60 4.313 -3.029 3.737 1.00 0.34 H new ATOM 0 HB ILE A 60 1.988 -4.584 3.604 1.00 0.48 H new ATOM 0 HG12 ILE A 60 3.334 -6.683 2.618 1.00 0.33 H new ATOM 0 HG13 ILE A 60 4.450 -6.244 3.896 1.00 0.33 H new ATOM 0 HG21 ILE A 60 2.792 -4.954 1.270 1.00 0.99 H new ATOM 0 HG22 ILE A 60 2.999 -3.264 1.788 1.00 0.99 H new ATOM 0 HG23 ILE A 60 4.400 -4.361 1.751 1.00 0.99 H new ATOM 0 HD11 ILE A 60 2.855 -7.926 4.667 1.00 1.05 H new ATOM 0 HD12 ILE A 60 2.633 -6.401 5.556 1.00 1.05 H new ATOM 0 HD13 ILE A 60 1.499 -6.847 4.259 1.00 1.05 H new ATOM 928 N SER A 61 2.917 -1.753 5.296 1.00 0.26 N ATOM 929 CA SER A 61 2.081 -0.928 6.139 1.00 0.25 C ATOM 930 C SER A 61 1.116 -0.154 5.266 1.00 0.24 C ATOM 931 O SER A 61 1.484 0.838 4.652 1.00 0.24 O ATOM 932 CB SER A 61 2.932 0.003 7.004 1.00 0.29 C ATOM 933 OG SER A 61 3.889 0.702 6.231 1.00 0.83 O ATOM 0 H SER A 61 3.557 -1.230 4.699 1.00 0.26 H new ATOM 0 HA SER A 61 1.510 -1.558 6.821 1.00 0.25 H new ATOM 0 HB2 SER A 61 2.286 0.716 7.516 1.00 0.29 H new ATOM 0 HB3 SER A 61 3.440 -0.578 7.774 1.00 0.29 H new ATOM 0 HG SER A 61 4.351 0.074 5.637 1.00 0.83 H new ATOM 939 N PHE A 62 -0.123 -0.598 5.221 1.00 0.24 N ATOM 940 CA PHE A 62 -1.064 -0.105 4.240 1.00 0.25 C ATOM 941 C PHE A 62 -2.140 0.696 4.933 1.00 0.26 C ATOM 942 O PHE A 62 -2.775 0.228 5.870 1.00 0.30 O ATOM 943 CB PHE A 62 -1.684 -1.271 3.448 1.00 0.27 C ATOM 944 CG PHE A 62 -1.977 -2.487 4.291 1.00 0.29 C ATOM 945 CD1 PHE A 62 -1.010 -3.465 4.482 1.00 0.34 C ATOM 946 CD2 PHE A 62 -3.211 -2.647 4.900 1.00 0.31 C ATOM 947 CE1 PHE A 62 -1.270 -4.574 5.263 1.00 0.40 C ATOM 948 CE2 PHE A 62 -3.475 -3.754 5.684 1.00 0.37 C ATOM 949 CZ PHE A 62 -2.504 -4.718 5.865 1.00 0.40 C ATOM 0 H PHE A 62 -0.502 -1.302 5.855 1.00 0.24 H new ATOM 0 HA PHE A 62 -0.538 0.538 3.534 1.00 0.25 H new ATOM 0 HB2 PHE A 62 -2.609 -0.931 2.982 1.00 0.27 H new ATOM 0 HB3 PHE A 62 -1.006 -1.553 2.642 1.00 0.27 H new ATOM 0 HD1 PHE A 62 -0.043 -3.357 4.014 1.00 0.34 H new ATOM 0 HD2 PHE A 62 -3.976 -1.898 4.760 1.00 0.31 H new ATOM 0 HE1 PHE A 62 -0.509 -5.328 5.403 1.00 0.40 H new ATOM 0 HE2 PHE A 62 -4.441 -3.865 6.155 1.00 0.37 H new ATOM 0 HZ PHE A 62 -2.709 -5.584 6.477 1.00 0.40 H new ATOM 959 N THR A 63 -2.302 1.913 4.487 1.00 0.25 N ATOM 960 CA THR A 63 -3.329 2.784 4.993 1.00 0.27 C ATOM 961 C THR A 63 -4.217 3.211 3.839 1.00 0.25 C ATOM 962 O THR A 63 -3.824 4.022 3.009 1.00 0.27 O ATOM 963 CB THR A 63 -2.717 4.020 5.680 1.00 0.32 C ATOM 964 OG1 THR A 63 -1.629 3.611 6.523 1.00 0.36 O ATOM 965 CG2 THR A 63 -3.762 4.754 6.514 1.00 0.38 C ATOM 0 H THR A 63 -1.722 2.330 3.759 1.00 0.25 H new ATOM 0 HA THR A 63 -3.917 2.249 5.739 1.00 0.27 H new ATOM 0 HB THR A 63 -2.353 4.699 4.909 1.00 0.32 H new ATOM 0 HG1 THR A 63 -1.239 4.398 6.958 1.00 0.36 H new ATOM 0 HG21 THR A 63 -3.305 5.622 6.988 1.00 0.38 H new ATOM 0 HG22 THR A 63 -4.578 5.080 5.869 1.00 0.38 H new ATOM 0 HG23 THR A 63 -4.151 4.084 7.281 1.00 0.38 H new ATOM 973 N PHE A 64 -5.405 2.661 3.783 1.00 0.24 N ATOM 974 CA PHE A 64 -6.297 2.911 2.677 1.00 0.24 C ATOM 975 C PHE A 64 -7.264 4.022 3.034 1.00 0.22 C ATOM 976 O PHE A 64 -7.709 4.126 4.170 1.00 0.23 O ATOM 977 CB PHE A 64 -7.071 1.648 2.316 1.00 0.27 C ATOM 978 CG PHE A 64 -6.231 0.583 1.691 1.00 0.43 C ATOM 979 CD1 PHE A 64 -5.953 0.615 0.336 1.00 0.58 C ATOM 980 CD2 PHE A 64 -5.721 -0.450 2.457 1.00 0.65 C ATOM 981 CE1 PHE A 64 -5.182 -0.365 -0.244 1.00 0.84 C ATOM 982 CE2 PHE A 64 -4.949 -1.434 1.881 1.00 0.90 C ATOM 983 CZ PHE A 64 -4.675 -1.388 0.530 1.00 0.96 C ATOM 0 H PHE A 64 -5.779 2.033 4.495 1.00 0.24 H new ATOM 0 HA PHE A 64 -5.703 3.214 1.815 1.00 0.24 H new ATOM 0 HB2 PHE A 64 -7.536 1.248 3.217 1.00 0.27 H new ATOM 0 HB3 PHE A 64 -7.877 1.911 1.631 1.00 0.27 H new ATOM 0 HD1 PHE A 64 -6.345 1.417 -0.272 1.00 0.58 H new ATOM 0 HD2 PHE A 64 -5.930 -0.485 3.516 1.00 0.65 H new ATOM 0 HE1 PHE A 64 -4.974 -0.334 -1.303 1.00 0.84 H new ATOM 0 HE2 PHE A 64 -4.559 -2.240 2.485 1.00 0.90 H new ATOM 0 HZ PHE A 64 -4.063 -2.154 0.078 1.00 0.96 H new ATOM 993 N HIS A 65 -7.529 4.881 2.070 1.00 0.24 N ATOM 994 CA HIS A 65 -8.466 5.982 2.227 1.00 0.26 C ATOM 995 C HIS A 65 -9.468 5.918 1.115 1.00 0.24 C ATOM 996 O HIS A 65 -9.148 5.497 0.011 1.00 0.36 O ATOM 997 CB HIS A 65 -7.789 7.353 2.174 1.00 0.42 C ATOM 998 CG HIS A 65 -6.622 7.572 3.095 1.00 0.51 C ATOM 999 ND1 HIS A 65 -5.843 6.714 3.796 1.00 1.02 N flip ATOM 1000 CD2 HIS A 65 -6.125 8.826 3.352 1.00 0.53 C flip ATOM 1001 CE1 HIS A 65 -4.900 7.466 4.454 1.00 1.29 C flip ATOM 1002 NE2 HIS A 65 -5.094 8.736 4.166 1.00 1.02 N flip ATOM 0 H HIS A 65 -7.098 4.836 1.147 1.00 0.24 H new ATOM 0 HA HIS A 65 -8.929 5.875 3.208 1.00 0.26 H new ATOM 0 HB2 HIS A 65 -7.451 7.525 1.152 1.00 0.42 H new ATOM 0 HB3 HIS A 65 -8.541 8.111 2.393 1.00 0.42 H new ATOM 0 HD2 HIS A 65 -6.520 9.746 2.948 1.00 0.53 H new ATOM 0 HE1 HIS A 65 -4.127 7.079 5.101 1.00 1.29 H new ATOM 0 HE2 HIS A 65 -4.539 9.518 4.515 1.00 1.02 H new ATOM 1011 N SER A 66 -10.689 6.275 1.418 1.00 0.22 N ATOM 1012 CA SER A 66 -11.724 6.315 0.438 1.00 0.25 C ATOM 1013 C SER A 66 -11.940 7.725 -0.078 1.00 0.24 C ATOM 1014 O SER A 66 -11.048 8.308 -0.693 1.00 0.30 O ATOM 1015 CB SER A 66 -12.970 5.808 1.109 1.00 0.38 C ATOM 1016 OG SER A 66 -12.874 5.963 2.516 1.00 1.27 O ATOM 0 H SER A 66 -10.987 6.545 2.355 1.00 0.22 H new ATOM 0 HA SER A 66 -11.458 5.703 -0.423 1.00 0.25 H new ATOM 0 HB2 SER A 66 -13.838 6.351 0.736 1.00 0.38 H new ATOM 0 HB3 SER A 66 -13.121 4.757 0.862 1.00 0.38 H new ATOM 0 HG SER A 66 -13.765 6.132 2.888 1.00 1.27 H new ATOM 1022 N ALA A 67 -13.106 8.291 0.239 1.00 0.24 N ATOM 1023 CA ALA A 67 -13.467 9.604 -0.251 1.00 0.28 C ATOM 1024 C ALA A 67 -12.503 10.617 0.323 1.00 0.30 C ATOM 1025 O ALA A 67 -11.940 11.440 -0.394 1.00 0.36 O ATOM 1026 CB ALA A 67 -14.899 9.948 0.132 1.00 0.32 C ATOM 0 H ALA A 67 -13.810 7.853 0.833 1.00 0.24 H new ATOM 0 HA ALA A 67 -13.407 9.616 -1.339 1.00 0.28 H new ATOM 0 HB1 ALA A 67 -15.149 10.939 -0.247 1.00 0.32 H new ATOM 0 HB2 ALA A 67 -15.578 9.213 -0.300 1.00 0.32 H new ATOM 0 HB3 ALA A 67 -14.998 9.939 1.217 1.00 0.32 H new ATOM 1032 N GLY A 68 -12.337 10.576 1.640 1.00 0.29 N ATOM 1033 CA GLY A 68 -11.285 11.317 2.279 1.00 0.32 C ATOM 1034 C GLY A 68 -11.022 10.771 3.665 1.00 0.34 C ATOM 1035 O GLY A 68 -10.342 11.398 4.474 1.00 0.39 O ATOM 0 H GLY A 68 -12.923 10.035 2.276 1.00 0.29 H new ATOM 0 HA2 GLY A 68 -10.376 11.260 1.680 1.00 0.32 H new ATOM 0 HA3 GLY A 68 -11.560 12.370 2.342 1.00 0.32 H new ATOM 1039 N ARG A 69 -11.581 9.591 3.943 1.00 0.36 N ATOM 1040 CA ARG A 69 -11.484 8.999 5.268 1.00 0.46 C ATOM 1041 C ARG A 69 -10.625 7.751 5.182 1.00 0.52 C ATOM 1042 O ARG A 69 -9.974 7.533 4.169 1.00 1.08 O ATOM 1043 CB ARG A 69 -12.876 8.683 5.850 1.00 0.48 C ATOM 1044 CG ARG A 69 -13.693 7.680 5.052 1.00 0.47 C ATOM 1045 CD ARG A 69 -14.562 8.352 4.001 1.00 0.58 C ATOM 1046 NE ARG A 69 -15.416 9.402 4.572 1.00 0.55 N ATOM 1047 CZ ARG A 69 -15.238 10.724 4.435 1.00 1.05 C ATOM 1048 NH1 ARG A 69 -14.117 11.210 3.935 1.00 1.97 N ATOM 1049 NH2 ARG A 69 -16.163 11.556 4.884 1.00 1.04 N ATOM 0 H ARG A 69 -12.103 9.033 3.267 1.00 0.36 H new ATOM 0 HA ARG A 69 -11.019 9.713 5.948 1.00 0.46 H new ATOM 0 HB2 ARG A 69 -12.752 8.303 6.864 1.00 0.48 H new ATOM 0 HB3 ARG A 69 -13.441 9.612 5.925 1.00 0.48 H new ATOM 0 HG2 ARG A 69 -13.022 6.972 4.567 1.00 0.47 H new ATOM 0 HG3 ARG A 69 -14.325 7.107 5.731 1.00 0.47 H new ATOM 0 HD2 ARG A 69 -13.926 8.784 3.229 1.00 0.58 H new ATOM 0 HD3 ARG A 69 -15.187 7.602 3.516 1.00 0.58 H new ATOM 0 HE ARG A 69 -16.218 9.097 5.123 1.00 0.55 H new ATOM 0 HH11 ARG A 69 -13.371 10.577 3.646 1.00 1.97 H new ATOM 0 HH12 ARG A 69 -13.997 12.218 3.837 1.00 1.97 H new ATOM 0 HH21 ARG A 69 -17.004 11.191 5.331 1.00 1.04 H new ATOM 0 HH22 ARG A 69 -16.035 12.563 4.784 1.00 1.04 H new ATOM 1063 N GLU A 70 -10.654 6.905 6.191 1.00 0.52 N ATOM 1064 CA GLU A 70 -9.698 5.836 6.273 1.00 0.52 C ATOM 1065 C GLU A 70 -10.381 4.514 6.004 1.00 0.67 C ATOM 1066 O GLU A 70 -11.032 3.948 6.871 1.00 1.28 O ATOM 1067 CB GLU A 70 -8.981 5.830 7.632 1.00 0.66 C ATOM 1068 CG GLU A 70 -9.914 5.797 8.836 1.00 1.35 C ATOM 1069 CD GLU A 70 -9.164 5.700 10.148 1.00 1.91 C ATOM 1070 OE1 GLU A 70 -8.699 4.596 10.494 1.00 2.61 O ATOM 1071 OE2 GLU A 70 -9.035 6.731 10.844 1.00 2.12 O ATOM 0 H GLU A 70 -11.326 6.941 6.957 1.00 0.52 H new ATOM 0 HA GLU A 70 -8.935 5.993 5.511 1.00 0.52 H new ATOM 0 HB2 GLU A 70 -8.320 4.965 7.676 1.00 0.66 H new ATOM 0 HB3 GLU A 70 -8.351 6.717 7.700 1.00 0.66 H new ATOM 0 HG2 GLU A 70 -10.530 6.696 8.839 1.00 1.35 H new ATOM 0 HG3 GLU A 70 -10.591 4.947 8.744 1.00 1.35 H new ATOM 1078 N ILE A 71 -10.256 4.058 4.769 1.00 0.28 N ATOM 1079 CA ILE A 71 -10.776 2.767 4.363 1.00 0.28 C ATOM 1080 C ILE A 71 -10.280 1.676 5.304 1.00 0.29 C ATOM 1081 O ILE A 71 -10.993 0.725 5.600 1.00 0.33 O ATOM 1082 CB ILE A 71 -10.359 2.453 2.909 1.00 0.31 C ATOM 1083 CG1 ILE A 71 -11.350 3.047 1.915 1.00 0.37 C ATOM 1084 CG2 ILE A 71 -10.230 0.970 2.690 1.00 0.30 C ATOM 1085 CD1 ILE A 71 -12.753 2.514 2.073 1.00 0.40 C ATOM 0 H ILE A 71 -9.791 4.573 4.021 1.00 0.28 H new ATOM 0 HA ILE A 71 -11.864 2.800 4.413 1.00 0.28 H new ATOM 0 HB ILE A 71 -9.384 2.912 2.741 1.00 0.31 H new ATOM 0 HG12 ILE A 71 -11.366 4.130 2.033 1.00 0.37 H new ATOM 0 HG13 ILE A 71 -11.004 2.842 0.902 1.00 0.37 H new ATOM 0 HG21 ILE A 71 -9.936 0.779 1.658 1.00 0.30 H new ATOM 0 HG22 ILE A 71 -9.474 0.567 3.364 1.00 0.30 H new ATOM 0 HG23 ILE A 71 -11.187 0.488 2.889 1.00 0.30 H new ATOM 0 HD11 ILE A 71 -13.405 2.980 1.334 1.00 0.40 H new ATOM 0 HD12 ILE A 71 -12.751 1.434 1.925 1.00 0.40 H new ATOM 0 HD13 ILE A 71 -13.118 2.743 3.074 1.00 0.40 H new ATOM 1097 N GLY A 72 -9.061 1.841 5.775 1.00 0.29 N ATOM 1098 CA GLY A 72 -8.496 0.900 6.722 1.00 0.36 C ATOM 1099 C GLY A 72 -6.998 1.027 6.773 1.00 0.34 C ATOM 1100 O GLY A 72 -6.424 1.734 5.955 1.00 0.49 O ATOM 0 H GLY A 72 -8.445 2.613 5.520 1.00 0.29 H new ATOM 0 HA2 GLY A 72 -8.914 1.079 7.713 1.00 0.36 H new ATOM 0 HA3 GLY A 72 -8.770 -0.116 6.439 1.00 0.36 H new ATOM 1104 N LYS A 73 -6.350 0.367 7.720 1.00 0.36 N ATOM 1105 CA LYS A 73 -4.901 0.422 7.789 1.00 0.35 C ATOM 1106 C LYS A 73 -4.338 -0.681 8.672 1.00 0.39 C ATOM 1107 O LYS A 73 -5.061 -1.303 9.456 1.00 0.47 O ATOM 1108 CB LYS A 73 -4.410 1.788 8.288 1.00 0.44 C ATOM 1109 CG LYS A 73 -4.530 1.994 9.788 1.00 0.61 C ATOM 1110 CD LYS A 73 -5.954 2.282 10.228 1.00 0.68 C ATOM 1111 CE LYS A 73 -5.999 2.563 11.717 1.00 1.26 C ATOM 1112 NZ LYS A 73 -7.309 3.122 12.149 1.00 1.81 N ATOM 0 H LYS A 73 -6.796 -0.203 8.439 1.00 0.36 H new ATOM 0 HA LYS A 73 -4.536 0.272 6.773 1.00 0.35 H new ATOM 0 HB2 LYS A 73 -3.366 1.911 8.000 1.00 0.44 H new ATOM 0 HB3 LYS A 73 -4.975 2.570 7.781 1.00 0.44 H new ATOM 0 HG2 LYS A 73 -4.168 1.104 10.303 1.00 0.61 H new ATOM 0 HG3 LYS A 73 -3.887 2.821 10.090 1.00 0.61 H new ATOM 0 HD2 LYS A 73 -6.346 3.138 9.678 1.00 0.68 H new ATOM 0 HD3 LYS A 73 -6.594 1.431 9.992 1.00 0.68 H new ATOM 0 HE2 LYS A 73 -5.802 1.641 12.264 1.00 1.26 H new ATOM 0 HE3 LYS A 73 -5.205 3.263 11.976 1.00 1.26 H new ATOM 0 HZ1 LYS A 73 -7.207 3.561 13.086 1.00 1.81 H new ATOM 0 HZ2 LYS A 73 -7.624 3.838 11.464 1.00 1.81 H new ATOM 0 HZ3 LYS A 73 -8.013 2.358 12.199 1.00 1.81 H new ATOM 1126 N GLY A 74 -3.045 -0.912 8.532 1.00 0.39 N ATOM 1127 CA GLY A 74 -2.362 -1.917 9.310 1.00 0.43 C ATOM 1128 C GLY A 74 -0.965 -2.150 8.786 1.00 0.34 C ATOM 1129 O GLY A 74 -0.608 -1.647 7.719 1.00 0.32 O ATOM 0 H GLY A 74 -2.446 -0.408 7.878 1.00 0.39 H new ATOM 0 HA2 GLY A 74 -2.316 -1.605 10.353 1.00 0.43 H new ATOM 0 HA3 GLY A 74 -2.925 -2.850 9.281 1.00 0.43 H new ATOM 1133 N LYS A 75 -0.176 -2.899 9.527 1.00 0.37 N ATOM 1134 CA LYS A 75 1.187 -3.202 9.126 1.00 0.37 C ATOM 1135 C LYS A 75 1.548 -4.633 9.486 1.00 0.39 C ATOM 1136 O LYS A 75 1.284 -5.092 10.598 1.00 0.50 O ATOM 1137 CB LYS A 75 2.185 -2.223 9.758 1.00 0.56 C ATOM 1138 CG LYS A 75 1.924 -1.912 11.225 1.00 0.84 C ATOM 1139 CD LYS A 75 1.255 -0.556 11.405 1.00 0.90 C ATOM 1140 CE LYS A 75 2.088 0.567 10.799 1.00 1.17 C ATOM 1141 NZ LYS A 75 1.498 1.906 11.068 1.00 1.72 N ATOM 0 H LYS A 75 -0.455 -3.313 10.417 1.00 0.37 H new ATOM 0 HA LYS A 75 1.246 -3.090 8.043 1.00 0.37 H new ATOM 0 HB2 LYS A 75 3.189 -2.635 9.660 1.00 0.56 H new ATOM 0 HB3 LYS A 75 2.167 -1.291 9.194 1.00 0.56 H new ATOM 0 HG2 LYS A 75 1.292 -2.689 11.654 1.00 0.84 H new ATOM 0 HG3 LYS A 75 2.866 -1.928 11.773 1.00 0.84 H new ATOM 0 HD2 LYS A 75 0.270 -0.571 10.939 1.00 0.90 H new ATOM 0 HD3 LYS A 75 1.102 -0.364 12.467 1.00 0.90 H new ATOM 0 HE2 LYS A 75 3.099 0.528 11.205 1.00 1.17 H new ATOM 0 HE3 LYS A 75 2.171 0.417 9.723 1.00 1.17 H new ATOM 0 HZ1 LYS A 75 2.095 2.641 10.639 1.00 1.72 H new ATOM 0 HZ2 LYS A 75 0.543 1.953 10.659 1.00 1.72 H new ATOM 0 HZ3 LYS A 75 1.443 2.061 12.095 1.00 1.72 H new ATOM 1155 N ILE A 76 2.152 -5.336 8.540 1.00 0.35 N ATOM 1156 CA ILE A 76 2.492 -6.736 8.728 1.00 0.39 C ATOM 1157 C ILE A 76 3.923 -7.003 8.272 1.00 0.34 C ATOM 1158 O ILE A 76 4.284 -6.707 7.133 1.00 0.35 O ATOM 1159 CB ILE A 76 1.530 -7.658 7.940 1.00 0.45 C ATOM 1160 CG1 ILE A 76 0.084 -7.469 8.417 1.00 0.51 C ATOM 1161 CG2 ILE A 76 1.949 -9.116 8.080 1.00 0.56 C ATOM 1162 CD1 ILE A 76 -0.933 -8.263 7.624 1.00 0.73 C ATOM 0 H ILE A 76 2.417 -4.957 7.631 1.00 0.35 H new ATOM 0 HA ILE A 76 2.398 -6.955 9.792 1.00 0.39 H new ATOM 0 HB ILE A 76 1.583 -7.383 6.887 1.00 0.45 H new ATOM 0 HG12 ILE A 76 0.017 -7.757 9.466 1.00 0.51 H new ATOM 0 HG13 ILE A 76 -0.171 -6.411 8.360 1.00 0.51 H new ATOM 0 HG21 ILE A 76 1.260 -9.748 7.519 1.00 0.56 H new ATOM 0 HG22 ILE A 76 2.959 -9.244 7.689 1.00 0.56 H new ATOM 0 HG23 ILE A 76 1.928 -9.401 9.132 1.00 0.56 H new ATOM 0 HD11 ILE A 76 -1.931 -8.076 8.022 1.00 0.73 H new ATOM 0 HD12 ILE A 76 -0.897 -7.959 6.578 1.00 0.73 H new ATOM 0 HD13 ILE A 76 -0.705 -9.326 7.701 1.00 0.73 H new ATOM 1174 N PRO A 77 4.767 -7.533 9.165 1.00 0.34 N ATOM 1175 CA PRO A 77 6.109 -7.981 8.804 1.00 0.32 C ATOM 1176 C PRO A 77 6.045 -9.247 7.953 1.00 0.33 C ATOM 1177 O PRO A 77 5.569 -10.289 8.411 1.00 0.44 O ATOM 1178 CB PRO A 77 6.782 -8.272 10.154 1.00 0.40 C ATOM 1179 CG PRO A 77 5.871 -7.698 11.190 1.00 0.57 C ATOM 1180 CD PRO A 77 4.496 -7.718 10.592 1.00 0.42 C ATOM 0 HA PRO A 77 6.652 -7.242 8.214 1.00 0.32 H new ATOM 0 HB2 PRO A 77 6.917 -9.343 10.301 1.00 0.40 H new ATOM 0 HB3 PRO A 77 7.771 -7.816 10.205 1.00 0.40 H new ATOM 0 HG2 PRO A 77 5.905 -8.285 12.108 1.00 0.57 H new ATOM 0 HG3 PRO A 77 6.168 -6.682 11.450 1.00 0.57 H new ATOM 0 HD2 PRO A 77 3.982 -8.659 10.789 1.00 0.42 H new ATOM 0 HD3 PRO A 77 3.868 -6.922 10.992 1.00 0.42 H new ATOM 1188 N ASP A 78 6.501 -9.157 6.715 1.00 0.30 N ATOM 1189 CA ASP A 78 6.389 -10.272 5.789 1.00 0.35 C ATOM 1190 C ASP A 78 7.712 -10.510 5.080 1.00 0.32 C ATOM 1191 O ASP A 78 8.420 -9.557 4.758 1.00 0.28 O ATOM 1192 CB ASP A 78 5.287 -9.994 4.764 1.00 0.39 C ATOM 1193 CG ASP A 78 4.959 -11.207 3.920 1.00 0.52 C ATOM 1194 OD1 ASP A 78 4.171 -12.058 4.369 1.00 0.79 O ATOM 1195 OD2 ASP A 78 5.495 -11.311 2.796 1.00 0.52 O ATOM 0 H ASP A 78 6.951 -8.327 6.329 1.00 0.30 H new ATOM 0 HA ASP A 78 6.132 -11.168 6.354 1.00 0.35 H new ATOM 0 HB2 ASP A 78 4.388 -9.663 5.283 1.00 0.39 H new ATOM 0 HB3 ASP A 78 5.598 -9.177 4.114 1.00 0.39 H new ATOM 1200 N PRO A 79 8.092 -11.779 4.873 1.00 0.39 N ATOM 1201 CA PRO A 79 9.299 -12.134 4.123 1.00 0.40 C ATOM 1202 C PRO A 79 9.253 -11.643 2.676 1.00 0.38 C ATOM 1203 O PRO A 79 8.801 -12.353 1.775 1.00 0.47 O ATOM 1204 CB PRO A 79 9.330 -13.667 4.173 1.00 0.52 C ATOM 1205 CG PRO A 79 7.933 -14.069 4.508 1.00 0.58 C ATOM 1206 CD PRO A 79 7.389 -12.973 5.373 1.00 0.49 C ATOM 0 HA PRO A 79 10.187 -11.670 4.551 1.00 0.40 H new ATOM 0 HB2 PRO A 79 9.643 -14.087 3.217 1.00 0.52 H new ATOM 0 HB3 PRO A 79 10.035 -14.024 4.924 1.00 0.52 H new ATOM 0 HG2 PRO A 79 7.334 -14.189 3.606 1.00 0.58 H new ATOM 0 HG3 PRO A 79 7.916 -15.025 5.031 1.00 0.58 H new ATOM 0 HD2 PRO A 79 6.308 -12.877 5.272 1.00 0.49 H new ATOM 0 HD3 PRO A 79 7.596 -13.151 6.428 1.00 0.49 H new ATOM 1214 N GLY A 80 9.718 -10.421 2.467 1.00 0.34 N ATOM 1215 CA GLY A 80 9.745 -9.846 1.139 1.00 0.40 C ATOM 1216 C GLY A 80 11.054 -10.114 0.439 1.00 0.35 C ATOM 1217 O GLY A 80 11.624 -9.228 -0.187 1.00 0.40 O ATOM 0 H GLY A 80 10.080 -9.812 3.201 1.00 0.34 H new ATOM 0 HA2 GLY A 80 8.926 -10.257 0.548 1.00 0.40 H new ATOM 0 HA3 GLY A 80 9.582 -8.770 1.205 1.00 0.40 H new ATOM 1221 N SER A 81 11.532 -11.337 0.565 1.00 0.34 N ATOM 1222 CA SER A 81 12.750 -11.761 -0.085 1.00 0.36 C ATOM 1223 C SER A 81 12.501 -11.953 -1.582 1.00 0.37 C ATOM 1224 O SER A 81 11.637 -12.749 -1.959 1.00 0.43 O ATOM 1225 CB SER A 81 13.236 -13.052 0.586 1.00 0.41 C ATOM 1226 OG SER A 81 12.384 -14.146 0.288 1.00 0.62 O ATOM 0 H SER A 81 11.083 -12.064 1.123 1.00 0.34 H new ATOM 0 HA SER A 81 13.526 -11.003 0.018 1.00 0.36 H new ATOM 0 HB2 SER A 81 14.249 -13.277 0.253 1.00 0.41 H new ATOM 0 HB3 SER A 81 13.280 -12.908 1.665 1.00 0.41 H new ATOM 0 HG SER A 81 11.811 -13.917 -0.473 1.00 0.62 H new ATOM 1232 N LEU A 82 13.240 -11.241 -2.455 1.00 0.37 N ATOM 1233 CA LEU A 82 12.769 -11.147 -3.851 1.00 0.39 C ATOM 1234 C LEU A 82 13.807 -10.652 -4.863 1.00 0.49 C ATOM 1235 O LEU A 82 14.867 -10.152 -4.496 1.00 0.82 O ATOM 1236 CB LEU A 82 11.497 -10.266 -3.918 1.00 0.36 C ATOM 1237 CG LEU A 82 11.652 -8.728 -3.781 1.00 0.52 C ATOM 1238 CD1 LEU A 82 12.803 -8.333 -2.872 1.00 1.10 C ATOM 1239 CD2 LEU A 82 11.794 -8.062 -5.140 1.00 1.08 C ATOM 0 H LEU A 82 14.109 -10.752 -2.241 1.00 0.37 H new ATOM 0 HA LEU A 82 12.552 -12.172 -4.150 1.00 0.39 H new ATOM 0 HB2 LEU A 82 11.005 -10.466 -4.870 1.00 0.36 H new ATOM 0 HB3 LEU A 82 10.820 -10.602 -3.133 1.00 0.36 H new ATOM 0 HG LEU A 82 10.735 -8.371 -3.312 1.00 0.52 H new ATOM 0 HD11 LEU A 82 12.864 -7.246 -2.813 1.00 1.10 H new ATOM 0 HD12 LEU A 82 12.636 -8.741 -1.875 1.00 1.10 H new ATOM 0 HD13 LEU A 82 13.736 -8.728 -3.274 1.00 1.10 H new ATOM 0 HD21 LEU A 82 11.901 -6.985 -5.008 1.00 1.08 H new ATOM 0 HD22 LEU A 82 12.675 -8.454 -5.647 1.00 1.08 H new ATOM 0 HD23 LEU A 82 10.908 -8.268 -5.741 1.00 1.08 H new ATOM 1251 N LYS A 83 13.413 -10.765 -6.145 1.00 0.40 N ATOM 1252 CA LYS A 83 14.220 -10.428 -7.327 1.00 0.46 C ATOM 1253 C LYS A 83 15.670 -10.086 -7.011 1.00 0.47 C ATOM 1254 O LYS A 83 16.502 -10.971 -6.824 1.00 0.63 O ATOM 1255 CB LYS A 83 13.574 -9.261 -8.072 1.00 0.52 C ATOM 1256 CG LYS A 83 12.092 -9.456 -8.361 1.00 0.58 C ATOM 1257 CD LYS A 83 11.838 -10.703 -9.181 1.00 0.68 C ATOM 1258 CE LYS A 83 10.352 -10.922 -9.371 1.00 1.08 C ATOM 1259 NZ LYS A 83 10.050 -12.241 -9.984 1.00 1.84 N ATOM 0 H LYS A 83 12.485 -11.108 -6.393 1.00 0.40 H new ATOM 0 HA LYS A 83 14.243 -11.325 -7.946 1.00 0.46 H new ATOM 0 HB2 LYS A 83 13.703 -8.352 -7.484 1.00 0.52 H new ATOM 0 HB3 LYS A 83 14.101 -9.109 -9.014 1.00 0.52 H new ATOM 0 HG2 LYS A 83 11.544 -9.521 -7.421 1.00 0.58 H new ATOM 0 HG3 LYS A 83 11.708 -8.586 -8.894 1.00 0.58 H new ATOM 0 HD2 LYS A 83 12.325 -10.612 -10.152 1.00 0.68 H new ATOM 0 HD3 LYS A 83 12.278 -11.568 -8.684 1.00 0.68 H new ATOM 0 HE2 LYS A 83 9.850 -10.849 -8.406 1.00 1.08 H new ATOM 0 HE3 LYS A 83 9.948 -10.130 -10.001 1.00 1.08 H new ATOM 0 HZ1 LYS A 83 9.021 -12.345 -10.094 1.00 1.84 H new ATOM 0 HZ2 LYS A 83 10.506 -12.303 -10.917 1.00 1.84 H new ATOM 0 HZ3 LYS A 83 10.411 -13.000 -9.371 1.00 1.84 H new ATOM 1273 N ALA A 84 15.938 -8.786 -6.953 1.00 0.47 N ATOM 1274 CA ALA A 84 17.243 -8.234 -6.663 1.00 0.50 C ATOM 1275 C ALA A 84 17.120 -6.774 -6.896 1.00 0.58 C ATOM 1276 O ALA A 84 17.507 -5.938 -6.087 1.00 0.99 O ATOM 1277 CB ALA A 84 18.335 -8.836 -7.541 1.00 0.56 C ATOM 0 H ALA A 84 15.228 -8.072 -7.112 1.00 0.47 H new ATOM 0 HA ALA A 84 17.538 -8.462 -5.639 1.00 0.50 H new ATOM 0 HB1 ALA A 84 19.296 -8.389 -7.285 1.00 0.56 H new ATOM 0 HB2 ALA A 84 18.381 -9.913 -7.378 1.00 0.56 H new ATOM 0 HB3 ALA A 84 18.110 -8.637 -8.589 1.00 0.56 H new ATOM 1283 N LYS A 85 16.481 -6.508 -7.983 1.00 0.49 N ATOM 1284 CA LYS A 85 16.113 -5.183 -8.359 1.00 0.54 C ATOM 1285 C LYS A 85 14.990 -5.221 -9.363 1.00 0.53 C ATOM 1286 O LYS A 85 15.174 -4.965 -10.552 1.00 0.61 O ATOM 1287 CB LYS A 85 17.310 -4.437 -8.876 1.00 0.65 C ATOM 1288 CG LYS A 85 17.530 -3.203 -8.065 1.00 1.07 C ATOM 1289 CD LYS A 85 18.889 -2.565 -8.319 1.00 1.25 C ATOM 1290 CE LYS A 85 19.209 -2.507 -9.800 1.00 1.60 C ATOM 1291 NZ LYS A 85 20.427 -1.701 -10.079 1.00 1.84 N ATOM 0 H LYS A 85 16.192 -7.222 -8.652 1.00 0.49 H new ATOM 0 HA LYS A 85 15.750 -4.646 -7.483 1.00 0.54 H new ATOM 0 HB2 LYS A 85 18.193 -5.074 -8.831 1.00 0.65 H new ATOM 0 HB3 LYS A 85 17.160 -4.173 -9.923 1.00 0.65 H new ATOM 0 HG2 LYS A 85 16.746 -2.480 -8.292 1.00 1.07 H new ATOM 0 HG3 LYS A 85 17.441 -3.448 -7.007 1.00 1.07 H new ATOM 0 HD2 LYS A 85 18.902 -1.557 -7.903 1.00 1.25 H new ATOM 0 HD3 LYS A 85 19.661 -3.134 -7.801 1.00 1.25 H new ATOM 0 HE2 LYS A 85 19.350 -3.519 -10.180 1.00 1.60 H new ATOM 0 HE3 LYS A 85 18.362 -2.080 -10.337 1.00 1.60 H new ATOM 0 HZ1 LYS A 85 20.608 -1.689 -11.103 1.00 1.84 H new ATOM 0 HZ2 LYS A 85 20.284 -0.728 -9.741 1.00 1.84 H new ATOM 0 HZ3 LYS A 85 21.242 -2.122 -9.589 1.00 1.84 H new ATOM 1305 N ASP A 86 13.834 -5.594 -8.859 1.00 0.48 N ATOM 1306 CA ASP A 86 12.646 -5.750 -9.677 1.00 0.46 C ATOM 1307 C ASP A 86 11.424 -5.749 -8.772 1.00 0.40 C ATOM 1308 O ASP A 86 11.504 -5.338 -7.613 1.00 0.38 O ATOM 1309 CB ASP A 86 12.728 -7.043 -10.510 1.00 0.49 C ATOM 1310 CG ASP A 86 11.817 -7.042 -11.731 1.00 0.53 C ATOM 1311 OD1 ASP A 86 10.616 -7.342 -11.580 1.00 0.55 O ATOM 1312 OD2 ASP A 86 12.293 -6.723 -12.843 1.00 0.64 O ATOM 0 H ASP A 86 13.689 -5.798 -7.870 1.00 0.48 H new ATOM 0 HA ASP A 86 12.568 -4.920 -10.379 1.00 0.46 H new ATOM 0 HB2 ASP A 86 13.758 -7.190 -10.836 1.00 0.49 H new ATOM 0 HB3 ASP A 86 12.470 -7.891 -9.875 1.00 0.49 H new ATOM 1317 N MET A 87 10.321 -6.243 -9.282 1.00 0.39 N ATOM 1318 CA MET A 87 9.049 -6.135 -8.607 1.00 0.35 C ATOM 1319 C MET A 87 8.479 -7.521 -8.355 1.00 0.34 C ATOM 1320 O MET A 87 8.283 -8.301 -9.283 1.00 0.37 O ATOM 1321 CB MET A 87 8.094 -5.295 -9.454 1.00 0.35 C ATOM 1322 CG MET A 87 6.888 -4.787 -8.691 1.00 0.35 C ATOM 1323 SD MET A 87 5.774 -3.809 -9.718 1.00 0.41 S ATOM 1324 CE MET A 87 6.796 -2.375 -10.048 1.00 1.35 C ATOM 0 H MET A 87 10.280 -6.731 -10.177 1.00 0.39 H new ATOM 0 HA MET A 87 9.183 -5.643 -7.644 1.00 0.35 H new ATOM 0 HB2 MET A 87 8.639 -4.444 -9.863 1.00 0.35 H new ATOM 0 HB3 MET A 87 7.753 -5.892 -10.300 1.00 0.35 H new ATOM 0 HG2 MET A 87 6.343 -5.635 -8.276 1.00 0.35 H new ATOM 0 HG3 MET A 87 7.225 -4.182 -7.849 1.00 0.35 H new ATOM 0 HE1 MET A 87 6.759 -2.139 -11.112 1.00 1.35 H new ATOM 0 HE2 MET A 87 6.426 -1.525 -9.475 1.00 1.35 H new ATOM 0 HE3 MET A 87 7.825 -2.587 -9.759 1.00 1.35 H new ATOM 1334 N THR A 88 8.224 -7.824 -7.097 1.00 0.31 N ATOM 1335 CA THR A 88 7.728 -9.132 -6.716 1.00 0.30 C ATOM 1336 C THR A 88 6.240 -9.044 -6.394 1.00 0.27 C ATOM 1337 O THR A 88 5.774 -8.038 -5.854 1.00 0.27 O ATOM 1338 CB THR A 88 8.493 -9.692 -5.494 1.00 0.32 C ATOM 1339 OG1 THR A 88 8.358 -11.118 -5.442 1.00 0.77 O ATOM 1340 CG2 THR A 88 7.972 -9.089 -4.191 1.00 0.54 C ATOM 0 H THR A 88 8.353 -7.178 -6.318 1.00 0.31 H new ATOM 0 HA THR A 88 7.886 -9.811 -7.554 1.00 0.30 H new ATOM 0 HB THR A 88 9.543 -9.423 -5.606 1.00 0.32 H new ATOM 0 HG1 THR A 88 8.847 -11.465 -4.667 1.00 0.77 H new ATOM 0 HG21 THR A 88 8.529 -9.502 -3.350 1.00 0.54 H new ATOM 0 HG22 THR A 88 8.100 -8.007 -4.214 1.00 0.54 H new ATOM 0 HG23 THR A 88 6.914 -9.327 -4.077 1.00 0.54 H new ATOM 1348 N ALA A 89 5.485 -10.066 -6.751 1.00 0.27 N ATOM 1349 CA ALA A 89 4.064 -10.059 -6.472 1.00 0.28 C ATOM 1350 C ALA A 89 3.786 -10.584 -5.069 1.00 0.29 C ATOM 1351 O ALA A 89 4.184 -11.689 -4.701 1.00 0.48 O ATOM 1352 CB ALA A 89 3.304 -10.844 -7.522 1.00 0.31 C ATOM 0 H ALA A 89 5.827 -10.900 -7.228 1.00 0.27 H new ATOM 0 HA ALA A 89 3.711 -9.029 -6.514 1.00 0.28 H new ATOM 0 HB1 ALA A 89 2.239 -10.824 -7.291 1.00 0.31 H new ATOM 0 HB2 ALA A 89 3.471 -10.397 -8.502 1.00 0.31 H new ATOM 0 HB3 ALA A 89 3.655 -11.876 -7.529 1.00 0.31 H new ATOM 1358 N LEU A 90 3.117 -9.756 -4.295 1.00 0.27 N ATOM 1359 CA LEU A 90 2.756 -10.058 -2.921 1.00 0.30 C ATOM 1360 C LEU A 90 1.268 -9.748 -2.768 1.00 0.29 C ATOM 1361 O LEU A 90 0.696 -9.094 -3.638 1.00 0.32 O ATOM 1362 CB LEU A 90 3.639 -9.208 -1.985 1.00 0.35 C ATOM 1363 CG LEU A 90 3.422 -9.363 -0.475 1.00 0.40 C ATOM 1364 CD1 LEU A 90 4.745 -9.208 0.261 1.00 0.77 C ATOM 1365 CD2 LEU A 90 2.435 -8.323 0.032 1.00 0.72 C ATOM 0 H LEU A 90 2.802 -8.837 -4.606 1.00 0.27 H new ATOM 0 HA LEU A 90 2.922 -11.103 -2.661 1.00 0.30 H new ATOM 0 HB2 LEU A 90 4.681 -9.442 -2.201 1.00 0.35 H new ATOM 0 HB3 LEU A 90 3.488 -8.159 -2.241 1.00 0.35 H new ATOM 0 HG LEU A 90 3.016 -10.357 -0.287 1.00 0.40 H new ATOM 0 HD11 LEU A 90 4.580 -9.320 1.333 1.00 0.77 H new ATOM 0 HD12 LEU A 90 5.443 -9.972 -0.081 1.00 0.77 H new ATOM 0 HD13 LEU A 90 5.160 -8.221 0.059 1.00 0.77 H new ATOM 0 HD21 LEU A 90 2.294 -8.449 1.105 1.00 0.72 H new ATOM 0 HD22 LEU A 90 2.823 -7.325 -0.169 1.00 0.72 H new ATOM 0 HD23 LEU A 90 1.480 -8.450 -0.477 1.00 0.72 H new ATOM 1377 N ASP A 91 0.612 -10.216 -1.720 1.00 0.35 N ATOM 1378 CA ASP A 91 -0.806 -9.919 -1.580 1.00 0.43 C ATOM 1379 C ASP A 91 -1.189 -9.677 -0.135 1.00 0.43 C ATOM 1380 O ASP A 91 -0.661 -10.303 0.785 1.00 0.52 O ATOM 1381 CB ASP A 91 -1.691 -11.014 -2.201 1.00 0.63 C ATOM 1382 CG ASP A 91 -1.699 -12.315 -1.426 1.00 1.07 C ATOM 1383 OD1 ASP A 91 -2.517 -12.457 -0.496 1.00 1.67 O ATOM 1384 OD2 ASP A 91 -0.909 -13.220 -1.772 1.00 1.81 O ATOM 0 H ASP A 91 1.019 -10.784 -0.977 1.00 0.35 H new ATOM 0 HA ASP A 91 -0.984 -8.997 -2.134 1.00 0.43 H new ATOM 0 HB2 ASP A 91 -2.713 -10.642 -2.276 1.00 0.63 H new ATOM 0 HB3 ASP A 91 -1.348 -11.211 -3.217 1.00 0.63 H new ATOM 1389 N ILE A 92 -2.087 -8.725 0.047 1.00 0.39 N ATOM 1390 CA ILE A 92 -2.682 -8.455 1.346 1.00 0.38 C ATOM 1391 C ILE A 92 -4.060 -9.096 1.366 1.00 0.38 C ATOM 1392 O ILE A 92 -4.710 -9.139 0.323 1.00 0.54 O ATOM 1393 CB ILE A 92 -2.823 -6.933 1.589 1.00 0.43 C ATOM 1394 CG1 ILE A 92 -1.502 -6.207 1.308 1.00 0.52 C ATOM 1395 CG2 ILE A 92 -3.299 -6.634 3.004 1.00 0.52 C ATOM 1396 CD1 ILE A 92 -0.330 -6.705 2.129 1.00 0.65 C ATOM 0 H ILE A 92 -2.425 -8.118 -0.700 1.00 0.39 H new ATOM 0 HA ILE A 92 -2.044 -8.863 2.130 1.00 0.38 H new ATOM 0 HB ILE A 92 -3.577 -6.563 0.895 1.00 0.43 H new ATOM 0 HG12 ILE A 92 -1.261 -6.313 0.250 1.00 0.52 H new ATOM 0 HG13 ILE A 92 -1.638 -5.143 1.499 1.00 0.52 H new ATOM 0 HG21 ILE A 92 -3.386 -5.556 3.138 1.00 0.52 H new ATOM 0 HG22 ILE A 92 -4.271 -7.100 3.167 1.00 0.52 H new ATOM 0 HG23 ILE A 92 -2.581 -7.032 3.721 1.00 0.52 H new ATOM 0 HD11 ILE A 92 0.564 -6.138 1.868 1.00 0.65 H new ATOM 0 HD12 ILE A 92 -0.546 -6.574 3.189 1.00 0.65 H new ATOM 0 HD13 ILE A 92 -0.163 -7.762 1.921 1.00 0.65 H new ATOM 1408 N PRO A 93 -4.495 -9.651 2.517 1.00 0.41 N ATOM 1409 CA PRO A 93 -5.833 -10.251 2.669 1.00 0.55 C ATOM 1410 C PRO A 93 -6.978 -9.368 2.144 1.00 0.61 C ATOM 1411 O PRO A 93 -7.148 -9.224 0.938 1.00 1.07 O ATOM 1412 CB PRO A 93 -5.947 -10.472 4.178 1.00 0.67 C ATOM 1413 CG PRO A 93 -4.544 -10.684 4.621 1.00 0.70 C ATOM 1414 CD PRO A 93 -3.698 -9.792 3.751 1.00 0.52 C ATOM 0 HA PRO A 93 -5.930 -11.162 2.078 1.00 0.55 H new ATOM 0 HB2 PRO A 93 -6.396 -9.611 4.674 1.00 0.67 H new ATOM 0 HB3 PRO A 93 -6.572 -11.335 4.408 1.00 0.67 H new ATOM 0 HG2 PRO A 93 -4.424 -10.430 5.674 1.00 0.70 H new ATOM 0 HG3 PRO A 93 -4.253 -11.728 4.510 1.00 0.70 H new ATOM 0 HD2 PRO A 93 -3.517 -8.827 4.223 1.00 0.52 H new ATOM 0 HD3 PRO A 93 -2.723 -10.236 3.550 1.00 0.52 H new ATOM 1422 N VAL A 94 -7.771 -8.778 3.036 1.00 0.38 N ATOM 1423 CA VAL A 94 -8.969 -8.052 2.615 1.00 0.34 C ATOM 1424 C VAL A 94 -9.482 -7.112 3.707 1.00 0.34 C ATOM 1425 O VAL A 94 -10.281 -7.510 4.537 1.00 0.36 O ATOM 1426 CB VAL A 94 -10.105 -9.042 2.252 1.00 0.36 C ATOM 1427 CG1 VAL A 94 -10.080 -9.413 0.779 1.00 0.42 C ATOM 1428 CG2 VAL A 94 -10.022 -10.300 3.115 1.00 0.46 C ATOM 0 H VAL A 94 -7.610 -8.787 4.043 1.00 0.38 H new ATOM 0 HA VAL A 94 -8.686 -7.461 1.744 1.00 0.34 H new ATOM 0 HB VAL A 94 -11.050 -8.538 2.453 1.00 0.36 H new ATOM 0 HG11 VAL A 94 -10.892 -10.108 0.565 1.00 0.42 H new ATOM 0 HG12 VAL A 94 -10.204 -8.514 0.175 1.00 0.42 H new ATOM 0 HG13 VAL A 94 -9.127 -9.883 0.538 1.00 0.42 H new ATOM 0 HG21 VAL A 94 -10.829 -10.981 2.844 1.00 0.46 H new ATOM 0 HG22 VAL A 94 -9.062 -10.791 2.952 1.00 0.46 H new ATOM 0 HG23 VAL A 94 -10.116 -10.027 4.166 1.00 0.46 H new ATOM 1438 N VAL A 95 -9.098 -5.842 3.671 1.00 0.35 N ATOM 1439 CA VAL A 95 -9.400 -4.956 4.798 1.00 0.35 C ATOM 1440 C VAL A 95 -10.110 -3.648 4.411 1.00 0.36 C ATOM 1441 O VAL A 95 -9.496 -2.734 3.857 1.00 0.44 O ATOM 1442 CB VAL A 95 -8.101 -4.621 5.572 1.00 0.42 C ATOM 1443 CG1 VAL A 95 -7.064 -3.980 4.653 1.00 0.48 C ATOM 1444 CG2 VAL A 95 -8.394 -3.726 6.769 1.00 0.45 C ATOM 0 H VAL A 95 -8.591 -5.408 2.900 1.00 0.35 H new ATOM 0 HA VAL A 95 -10.100 -5.510 5.423 1.00 0.35 H new ATOM 0 HB VAL A 95 -7.685 -5.557 5.945 1.00 0.42 H new ATOM 0 HG11 VAL A 95 -6.162 -3.755 5.223 1.00 0.48 H new ATOM 0 HG12 VAL A 95 -6.820 -4.668 3.844 1.00 0.48 H new ATOM 0 HG13 VAL A 95 -7.468 -3.058 4.235 1.00 0.48 H new ATOM 0 HG21 VAL A 95 -7.465 -3.506 7.295 1.00 0.45 H new ATOM 0 HG22 VAL A 95 -8.846 -2.795 6.426 1.00 0.45 H new ATOM 0 HG23 VAL A 95 -9.081 -4.235 7.444 1.00 0.45 H new ATOM 1454 N VAL A 96 -11.418 -3.571 4.645 1.00 0.34 N ATOM 1455 CA VAL A 96 -12.071 -2.280 4.777 1.00 0.34 C ATOM 1456 C VAL A 96 -13.299 -2.396 5.678 1.00 0.36 C ATOM 1457 O VAL A 96 -14.243 -3.091 5.343 1.00 0.47 O ATOM 1458 CB VAL A 96 -12.423 -1.649 3.403 1.00 0.45 C ATOM 1459 CG1 VAL A 96 -12.878 -2.704 2.406 1.00 1.02 C ATOM 1460 CG2 VAL A 96 -13.480 -0.563 3.554 1.00 1.07 C ATOM 0 H VAL A 96 -12.035 -4.377 4.745 1.00 0.34 H new ATOM 0 HA VAL A 96 -11.362 -1.599 5.248 1.00 0.34 H new ATOM 0 HB VAL A 96 -11.514 -1.190 3.013 1.00 0.45 H new ATOM 0 HG11 VAL A 96 -13.116 -2.227 1.455 1.00 1.02 H new ATOM 0 HG12 VAL A 96 -12.080 -3.432 2.257 1.00 1.02 H new ATOM 0 HG13 VAL A 96 -13.764 -3.210 2.790 1.00 1.02 H new ATOM 0 HG21 VAL A 96 -13.707 -0.138 2.576 1.00 1.07 H new ATOM 0 HG22 VAL A 96 -14.385 -0.993 3.982 1.00 1.07 H new ATOM 0 HG23 VAL A 96 -13.105 0.221 4.212 1.00 1.07 H new ATOM 1470 N PRO A 97 -13.290 -1.780 6.864 1.00 0.34 N ATOM 1471 CA PRO A 97 -14.477 -1.739 7.706 1.00 0.36 C ATOM 1472 C PRO A 97 -15.683 -1.181 6.952 1.00 0.33 C ATOM 1473 O PRO A 97 -15.578 -0.179 6.242 1.00 0.34 O ATOM 1474 CB PRO A 97 -14.090 -0.828 8.877 1.00 0.41 C ATOM 1475 CG PRO A 97 -12.753 -0.250 8.541 1.00 0.48 C ATOM 1476 CD PRO A 97 -12.136 -1.132 7.494 1.00 0.36 C ATOM 0 HA PRO A 97 -14.775 -2.735 8.035 1.00 0.36 H new ATOM 0 HB2 PRO A 97 -14.830 -0.040 9.016 1.00 0.41 H new ATOM 0 HB3 PRO A 97 -14.046 -1.392 9.809 1.00 0.41 H new ATOM 0 HG2 PRO A 97 -12.857 0.770 8.171 1.00 0.48 H new ATOM 0 HG3 PRO A 97 -12.120 -0.205 9.427 1.00 0.48 H new ATOM 0 HD2 PRO A 97 -11.558 -0.554 6.773 1.00 0.36 H new ATOM 0 HD3 PRO A 97 -11.457 -1.862 7.934 1.00 0.36 H new ATOM 1484 N TYR A 98 -16.824 -1.848 7.111 1.00 0.35 N ATOM 1485 CA TYR A 98 -18.052 -1.479 6.411 1.00 0.37 C ATOM 1486 C TYR A 98 -18.416 -0.016 6.680 1.00 0.36 C ATOM 1487 O TYR A 98 -18.987 0.662 5.826 1.00 0.39 O ATOM 1488 CB TYR A 98 -19.198 -2.419 6.828 1.00 0.47 C ATOM 1489 CG TYR A 98 -20.550 -2.038 6.264 1.00 0.60 C ATOM 1490 CD1 TYR A 98 -20.710 -1.794 4.907 1.00 1.04 C ATOM 1491 CD2 TYR A 98 -21.664 -1.924 7.088 1.00 0.90 C ATOM 1492 CE1 TYR A 98 -21.938 -1.445 4.386 1.00 1.23 C ATOM 1493 CE2 TYR A 98 -22.896 -1.577 6.573 1.00 1.06 C ATOM 1494 CZ TYR A 98 -23.036 -1.345 5.235 1.00 1.08 C ATOM 1495 OH TYR A 98 -24.255 -0.987 4.705 1.00 1.31 O ATOM 0 H TYR A 98 -16.923 -2.656 7.726 1.00 0.35 H new ATOM 0 HA TYR A 98 -17.888 -1.586 5.339 1.00 0.37 H new ATOM 0 HB2 TYR A 98 -18.956 -3.433 6.508 1.00 0.47 H new ATOM 0 HB3 TYR A 98 -19.262 -2.435 7.916 1.00 0.47 H new ATOM 0 HD1 TYR A 98 -19.858 -1.879 4.248 1.00 1.04 H new ATOM 0 HD2 TYR A 98 -21.563 -2.110 8.147 1.00 0.90 H new ATOM 0 HE1 TYR A 98 -22.047 -1.251 3.329 1.00 1.23 H new ATOM 0 HE2 TYR A 98 -23.750 -1.489 7.228 1.00 1.06 H new ATOM 0 HH TYR A 98 -24.157 -0.159 4.190 1.00 1.31 H new ATOM 1505 N SER A 99 -18.052 0.466 7.861 1.00 0.37 N ATOM 1506 CA SER A 99 -18.311 1.840 8.261 1.00 0.41 C ATOM 1507 C SER A 99 -17.683 2.856 7.297 1.00 0.38 C ATOM 1508 O SER A 99 -18.192 3.962 7.132 1.00 0.39 O ATOM 1509 CB SER A 99 -17.770 2.051 9.672 1.00 0.50 C ATOM 1510 OG SER A 99 -16.494 1.448 9.809 1.00 1.20 O ATOM 0 H SER A 99 -17.568 -0.087 8.569 1.00 0.37 H new ATOM 0 HA SER A 99 -19.388 2.005 8.236 1.00 0.41 H new ATOM 0 HB2 SER A 99 -17.700 3.118 9.885 1.00 0.50 H new ATOM 0 HB3 SER A 99 -18.460 1.625 10.400 1.00 0.50 H new ATOM 0 HG SER A 99 -16.159 1.593 10.719 1.00 1.20 H new ATOM 1516 N ILE A 100 -16.589 2.484 6.653 1.00 0.36 N ATOM 1517 CA ILE A 100 -15.896 3.408 5.768 1.00 0.37 C ATOM 1518 C ILE A 100 -16.622 3.534 4.431 1.00 0.34 C ATOM 1519 O ILE A 100 -16.902 4.643 3.969 1.00 0.36 O ATOM 1520 CB ILE A 100 -14.446 2.985 5.513 1.00 0.41 C ATOM 1521 CG1 ILE A 100 -13.804 2.437 6.792 1.00 0.45 C ATOM 1522 CG2 ILE A 100 -13.665 4.175 4.991 1.00 0.48 C ATOM 1523 CD1 ILE A 100 -13.818 3.399 7.962 1.00 0.51 C ATOM 0 H ILE A 100 -16.165 1.559 6.724 1.00 0.36 H new ATOM 0 HA ILE A 100 -15.890 4.374 6.274 1.00 0.37 H new ATOM 0 HB ILE A 100 -14.432 2.188 4.769 1.00 0.41 H new ATOM 0 HG12 ILE A 100 -14.324 1.524 7.082 1.00 0.45 H new ATOM 0 HG13 ILE A 100 -12.772 2.162 6.576 1.00 0.45 H new ATOM 0 HG21 ILE A 100 -12.632 3.880 4.808 1.00 0.48 H new ATOM 0 HG22 ILE A 100 -14.113 4.525 4.061 1.00 0.48 H new ATOM 0 HG23 ILE A 100 -13.688 4.977 5.729 1.00 0.48 H new ATOM 0 HD11 ILE A 100 -13.344 2.930 8.824 1.00 0.51 H new ATOM 0 HD12 ILE A 100 -13.272 4.304 7.696 1.00 0.51 H new ATOM 0 HD13 ILE A 100 -14.848 3.656 8.209 1.00 0.51 H new ATOM 1535 N LEU A 101 -16.883 2.385 3.798 1.00 0.33 N ATOM 1536 CA LEU A 101 -17.761 2.325 2.613 1.00 0.34 C ATOM 1537 C LEU A 101 -19.081 3.036 2.899 1.00 0.34 C ATOM 1538 O LEU A 101 -19.725 3.579 2.004 1.00 0.36 O ATOM 1539 CB LEU A 101 -18.045 0.882 2.173 1.00 0.35 C ATOM 1540 CG LEU A 101 -16.885 0.139 1.498 1.00 0.41 C ATOM 1541 CD1 LEU A 101 -17.366 -1.178 0.924 1.00 0.89 C ATOM 1542 CD2 LEU A 101 -16.256 0.974 0.397 1.00 1.00 C ATOM 0 H LEU A 101 -16.502 1.483 4.082 1.00 0.33 H new ATOM 0 HA LEU A 101 -17.235 2.826 1.800 1.00 0.34 H new ATOM 0 HB2 LEU A 101 -18.354 0.311 3.049 1.00 0.35 H new ATOM 0 HB3 LEU A 101 -18.891 0.894 1.485 1.00 0.35 H new ATOM 0 HG LEU A 101 -16.129 -0.050 2.260 1.00 0.41 H new ATOM 0 HD11 LEU A 101 -16.532 -1.694 0.448 1.00 0.89 H new ATOM 0 HD12 LEU A 101 -17.768 -1.799 1.725 1.00 0.89 H new ATOM 0 HD13 LEU A 101 -18.145 -0.990 0.185 1.00 0.89 H new ATOM 0 HD21 LEU A 101 -15.438 0.417 -0.060 1.00 1.00 H new ATOM 0 HD22 LEU A 101 -17.006 1.203 -0.360 1.00 1.00 H new ATOM 0 HD23 LEU A 101 -15.872 1.903 0.819 1.00 1.00 H new ATOM 1554 N PHE A 102 -19.429 3.052 4.173 1.00 0.34 N ATOM 1555 CA PHE A 102 -20.654 3.689 4.639 1.00 0.36 C ATOM 1556 C PHE A 102 -20.570 5.185 4.360 1.00 0.35 C ATOM 1557 O PHE A 102 -21.522 5.802 3.890 1.00 0.36 O ATOM 1558 CB PHE A 102 -20.876 3.416 6.136 1.00 0.42 C ATOM 1559 CG PHE A 102 -22.111 4.053 6.719 1.00 0.57 C ATOM 1560 CD1 PHE A 102 -22.090 5.362 7.170 1.00 0.80 C ATOM 1561 CD2 PHE A 102 -23.290 3.334 6.824 1.00 0.74 C ATOM 1562 CE1 PHE A 102 -23.219 5.942 7.710 1.00 0.96 C ATOM 1563 CE2 PHE A 102 -24.424 3.909 7.361 1.00 0.90 C ATOM 1564 CZ PHE A 102 -24.389 5.216 7.805 1.00 0.94 C ATOM 0 H PHE A 102 -18.874 2.626 4.915 1.00 0.34 H new ATOM 0 HA PHE A 102 -21.508 3.272 4.104 1.00 0.36 H new ATOM 0 HB2 PHE A 102 -20.933 2.338 6.290 1.00 0.42 H new ATOM 0 HB3 PHE A 102 -20.006 3.771 6.688 1.00 0.42 H new ATOM 0 HD1 PHE A 102 -21.178 5.936 7.098 1.00 0.80 H new ATOM 0 HD2 PHE A 102 -23.322 2.310 6.481 1.00 0.74 H new ATOM 0 HE1 PHE A 102 -23.187 6.964 8.058 1.00 0.96 H new ATOM 0 HE2 PHE A 102 -25.337 3.337 7.434 1.00 0.90 H new ATOM 0 HZ PHE A 102 -25.275 5.669 8.225 1.00 0.94 H new ATOM 1574 N ASN A 103 -19.405 5.753 4.626 1.00 0.36 N ATOM 1575 CA ASN A 103 -19.187 7.179 4.424 1.00 0.38 C ATOM 1576 C ASN A 103 -19.054 7.528 2.943 1.00 0.36 C ATOM 1577 O ASN A 103 -19.812 8.344 2.421 1.00 0.38 O ATOM 1578 CB ASN A 103 -17.926 7.630 5.158 1.00 0.43 C ATOM 1579 CG ASN A 103 -18.060 7.647 6.677 1.00 0.49 C ATOM 1580 OD1 ASN A 103 -18.759 6.677 7.248 1.00 0.82 O flip ATOM 1581 ND2 ASN A 103 -17.508 8.522 7.334 1.00 0.49 N flip ATOM 0 H ASN A 103 -18.593 5.249 4.983 1.00 0.36 H new ATOM 0 HA ASN A 103 -20.058 7.698 4.824 1.00 0.38 H new ATOM 0 HB2 ASN A 103 -17.104 6.969 4.884 1.00 0.43 H new ATOM 0 HB3 ASN A 103 -17.658 8.630 4.817 1.00 0.43 H new ATOM 0 HD21 ASN A 103 -16.977 9.255 6.863 1.00 0.49 H new ATOM 0 HD22 ASN A 103 -17.579 8.517 8.351 1.00 0.49 H new ATOM 1588 N LEU A 104 -18.087 6.903 2.270 1.00 0.36 N ATOM 1589 CA LEU A 104 -17.817 7.184 0.857 1.00 0.39 C ATOM 1590 C LEU A 104 -19.039 6.961 -0.040 1.00 0.37 C ATOM 1591 O LEU A 104 -19.388 7.828 -0.831 1.00 0.40 O ATOM 1592 CB LEU A 104 -16.639 6.335 0.370 1.00 0.45 C ATOM 1593 CG LEU A 104 -16.852 4.823 0.434 1.00 0.51 C ATOM 1594 CD1 LEU A 104 -17.302 4.276 -0.912 1.00 0.55 C ATOM 1595 CD2 LEU A 104 -15.590 4.136 0.890 1.00 0.65 C ATOM 0 H LEU A 104 -17.476 6.197 2.681 1.00 0.36 H new ATOM 0 HA LEU A 104 -17.565 8.242 0.785 1.00 0.39 H new ATOM 0 HB2 LEU A 104 -16.416 6.610 -0.661 1.00 0.45 H new ATOM 0 HB3 LEU A 104 -15.761 6.587 0.965 1.00 0.45 H new ATOM 0 HG LEU A 104 -17.641 4.621 1.158 1.00 0.51 H new ATOM 0 HD11 LEU A 104 -17.446 3.198 -0.837 1.00 0.55 H new ATOM 0 HD12 LEU A 104 -18.241 4.748 -1.201 1.00 0.55 H new ATOM 0 HD13 LEU A 104 -16.542 4.489 -1.664 1.00 0.55 H new ATOM 0 HD21 LEU A 104 -15.756 3.060 0.931 1.00 0.65 H new ATOM 0 HD22 LEU A 104 -14.784 4.352 0.189 1.00 0.65 H new ATOM 0 HD23 LEU A 104 -15.316 4.499 1.881 1.00 0.65 H new ATOM 1607 N ALA A 105 -19.685 5.808 0.081 1.00 0.35 N ATOM 1608 CA ALA A 105 -20.817 5.478 -0.785 1.00 0.38 C ATOM 1609 C ALA A 105 -22.002 6.365 -0.461 1.00 0.37 C ATOM 1610 O ALA A 105 -22.839 6.645 -1.305 1.00 0.39 O ATOM 1611 CB ALA A 105 -21.189 4.010 -0.659 1.00 0.43 C ATOM 0 H ALA A 105 -19.449 5.088 0.764 1.00 0.35 H new ATOM 0 HA ALA A 105 -20.523 5.658 -1.819 1.00 0.38 H new ATOM 0 HB1 ALA A 105 -22.033 3.791 -1.313 1.00 0.43 H new ATOM 0 HB2 ALA A 105 -20.338 3.393 -0.946 1.00 0.43 H new ATOM 0 HB3 ALA A 105 -21.463 3.791 0.373 1.00 0.43 H new ATOM 1617 N ARG A 106 -22.041 6.819 0.769 1.00 0.36 N ATOM 1618 CA ARG A 106 -23.074 7.751 1.166 1.00 0.40 C ATOM 1619 C ARG A 106 -22.873 9.091 0.465 1.00 0.38 C ATOM 1620 O ARG A 106 -23.765 9.575 -0.221 1.00 0.40 O ATOM 1621 CB ARG A 106 -23.110 7.936 2.671 1.00 0.48 C ATOM 1622 CG ARG A 106 -23.877 9.172 3.108 1.00 0.53 C ATOM 1623 CD ARG A 106 -23.879 9.301 4.618 1.00 0.73 C ATOM 1624 NE ARG A 106 -22.682 8.696 5.196 1.00 0.91 N ATOM 1625 CZ ARG A 106 -22.120 9.070 6.342 1.00 1.38 C ATOM 1626 NH1 ARG A 106 -22.654 10.034 7.080 1.00 1.52 N ATOM 1627 NH2 ARG A 106 -21.026 8.456 6.754 1.00 1.81 N ATOM 0 H ARG A 106 -21.381 6.564 1.504 1.00 0.36 H new ATOM 0 HA ARG A 106 -24.035 7.335 0.864 1.00 0.40 H new ATOM 0 HB2 ARG A 106 -23.563 7.056 3.127 1.00 0.48 H new ATOM 0 HB3 ARG A 106 -22.089 7.999 3.046 1.00 0.48 H new ATOM 0 HG2 ARG A 106 -23.427 10.060 2.664 1.00 0.53 H new ATOM 0 HG3 ARG A 106 -24.902 9.117 2.742 1.00 0.53 H new ATOM 0 HD2 ARG A 106 -23.930 10.354 4.897 1.00 0.73 H new ATOM 0 HD3 ARG A 106 -24.768 8.820 5.027 1.00 0.73 H new ATOM 0 HE ARG A 106 -22.245 7.930 4.683 1.00 0.91 H new ATOM 0 HH11 ARG A 106 -23.507 10.500 6.771 1.00 1.52 H new ATOM 0 HH12 ARG A 106 -22.211 10.310 7.957 1.00 1.52 H new ATOM 0 HH21 ARG A 106 -20.622 7.705 6.195 1.00 1.81 H new ATOM 0 HH22 ARG A 106 -20.585 8.733 7.631 1.00 1.81 H new ATOM 1641 N ASP A 107 -21.686 9.668 0.603 1.00 0.37 N ATOM 1642 CA ASP A 107 -21.436 11.002 0.066 1.00 0.41 C ATOM 1643 C ASP A 107 -21.166 10.953 -1.435 1.00 0.38 C ATOM 1644 O ASP A 107 -21.850 11.598 -2.234 1.00 0.41 O ATOM 1645 CB ASP A 107 -20.232 11.632 0.780 1.00 0.46 C ATOM 1646 CG ASP A 107 -19.991 13.077 0.382 1.00 0.57 C ATOM 1647 OD1 ASP A 107 -19.571 13.311 -0.771 1.00 0.68 O ATOM 1648 OD2 ASP A 107 -20.233 13.985 1.205 1.00 0.80 O ATOM 0 H ASP A 107 -20.889 9.241 1.076 1.00 0.37 H new ATOM 0 HA ASP A 107 -22.327 11.606 0.236 1.00 0.41 H new ATOM 0 HB2 ASP A 107 -20.388 11.580 1.857 1.00 0.46 H new ATOM 0 HB3 ASP A 107 -19.339 11.047 0.559 1.00 0.46 H new ATOM 1653 N VAL A 108 -20.210 10.138 -1.829 1.00 0.34 N ATOM 1654 CA VAL A 108 -19.802 10.105 -3.214 1.00 0.33 C ATOM 1655 C VAL A 108 -20.637 9.098 -3.994 1.00 0.32 C ATOM 1656 O VAL A 108 -20.813 9.243 -5.189 1.00 0.37 O ATOM 1657 CB VAL A 108 -18.302 9.782 -3.374 1.00 0.32 C ATOM 1658 CG1 VAL A 108 -17.815 10.227 -4.738 1.00 0.77 C ATOM 1659 CG2 VAL A 108 -17.471 10.431 -2.278 1.00 0.88 C ATOM 0 H VAL A 108 -19.707 9.497 -1.216 1.00 0.34 H new ATOM 0 HA VAL A 108 -19.969 11.103 -3.618 1.00 0.33 H new ATOM 0 HB VAL A 108 -18.181 8.702 -3.286 1.00 0.32 H new ATOM 0 HG11 VAL A 108 -16.755 9.994 -4.840 1.00 0.77 H new ATOM 0 HG12 VAL A 108 -18.377 9.706 -5.513 1.00 0.77 H new ATOM 0 HG13 VAL A 108 -17.962 11.302 -4.844 1.00 0.77 H new ATOM 0 HG21 VAL A 108 -16.420 10.182 -2.423 1.00 0.88 H new ATOM 0 HG22 VAL A 108 -17.596 11.513 -2.319 1.00 0.88 H new ATOM 0 HG23 VAL A 108 -17.800 10.064 -1.306 1.00 0.88 H new ATOM 1669 N GLY A 109 -21.125 8.057 -3.320 1.00 0.29 N ATOM 1670 CA GLY A 109 -22.075 7.150 -3.961 1.00 0.30 C ATOM 1671 C GLY A 109 -23.403 7.830 -4.215 1.00 0.33 C ATOM 1672 O GLY A 109 -24.167 7.441 -5.100 1.00 0.38 O ATOM 0 H GLY A 109 -20.886 7.825 -2.356 1.00 0.29 H new ATOM 0 HA2 GLY A 109 -21.661 6.794 -4.904 1.00 0.30 H new ATOM 0 HA3 GLY A 109 -22.228 6.275 -3.329 1.00 0.30 H new ATOM 1676 N VAL A 110 -23.655 8.839 -3.399 1.00 0.37 N ATOM 1677 CA VAL A 110 -24.760 9.748 -3.652 1.00 0.46 C ATOM 1678 C VAL A 110 -24.599 10.283 -5.084 1.00 0.47 C ATOM 1679 O VAL A 110 -25.558 10.323 -5.859 1.00 0.54 O ATOM 1680 CB VAL A 110 -24.857 10.896 -2.606 1.00 0.56 C ATOM 1681 CG1 VAL A 110 -24.692 12.275 -3.233 1.00 1.09 C ATOM 1682 CG2 VAL A 110 -26.181 10.810 -1.856 1.00 0.78 C ATOM 0 H VAL A 110 -23.113 9.049 -2.561 1.00 0.37 H new ATOM 0 HA VAL A 110 -25.702 9.208 -3.552 1.00 0.46 H new ATOM 0 HB VAL A 110 -24.031 10.765 -1.906 1.00 0.56 H new ATOM 0 HG11 VAL A 110 -24.768 13.038 -2.459 1.00 1.09 H new ATOM 0 HG12 VAL A 110 -23.716 12.342 -3.713 1.00 1.09 H new ATOM 0 HG13 VAL A 110 -25.474 12.433 -3.976 1.00 1.09 H new ATOM 0 HG21 VAL A 110 -26.239 11.618 -1.126 1.00 0.78 H new ATOM 0 HG22 VAL A 110 -27.006 10.899 -2.563 1.00 0.78 H new ATOM 0 HG23 VAL A 110 -26.246 9.851 -1.342 1.00 0.78 H new ATOM 1692 N ASP A 111 -23.374 10.704 -5.416 1.00 0.45 N ATOM 1693 CA ASP A 111 -23.010 11.019 -6.808 1.00 0.52 C ATOM 1694 C ASP A 111 -22.976 9.771 -7.711 1.00 0.59 C ATOM 1695 O ASP A 111 -23.775 9.673 -8.646 1.00 1.05 O ATOM 1696 CB ASP A 111 -21.653 11.728 -6.858 1.00 0.60 C ATOM 1697 CG ASP A 111 -21.662 13.066 -6.150 1.00 1.30 C ATOM 1698 OD1 ASP A 111 -22.049 14.073 -6.775 1.00 1.86 O ATOM 1699 OD2 ASP A 111 -21.290 13.119 -4.958 1.00 1.87 O ATOM 0 H ASP A 111 -22.617 10.835 -4.745 1.00 0.45 H new ATOM 0 HA ASP A 111 -23.788 11.679 -7.192 1.00 0.52 H new ATOM 0 HB2 ASP A 111 -20.897 11.087 -6.404 1.00 0.60 H new ATOM 0 HB3 ASP A 111 -21.363 11.875 -7.899 1.00 0.60 H new ATOM 1704 N TRP A 112 -22.085 8.814 -7.367 1.00 0.43 N ATOM 1705 CA TRP A 112 -21.795 7.604 -8.189 1.00 0.45 C ATOM 1706 C TRP A 112 -20.371 7.030 -7.968 1.00 0.42 C ATOM 1707 O TRP A 112 -20.195 6.046 -7.255 1.00 0.43 O ATOM 1708 CB TRP A 112 -22.044 7.832 -9.707 1.00 0.57 C ATOM 1709 CG TRP A 112 -21.234 8.921 -10.388 1.00 0.64 C ATOM 1710 CD1 TRP A 112 -20.648 10.019 -9.817 1.00 0.72 C ATOM 1711 CD2 TRP A 112 -20.951 9.008 -11.789 1.00 0.78 C ATOM 1712 NE1 TRP A 112 -20.000 10.761 -10.772 1.00 0.83 N ATOM 1713 CE2 TRP A 112 -20.176 10.166 -11.991 1.00 0.86 C ATOM 1714 CE3 TRP A 112 -21.273 8.216 -12.894 1.00 0.96 C ATOM 1715 CZ2 TRP A 112 -19.718 10.547 -13.249 1.00 1.04 C ATOM 1716 CZ3 TRP A 112 -20.819 8.595 -14.141 1.00 1.16 C ATOM 1717 CH2 TRP A 112 -20.051 9.752 -14.310 1.00 1.17 C ATOM 0 H TRP A 112 -21.540 8.854 -6.506 1.00 0.43 H new ATOM 0 HA TRP A 112 -22.508 6.860 -7.832 1.00 0.45 H new ATOM 0 HB2 TRP A 112 -21.851 6.893 -10.226 1.00 0.57 H new ATOM 0 HB3 TRP A 112 -23.101 8.061 -9.845 1.00 0.57 H new ATOM 0 HD1 TRP A 112 -20.690 10.265 -8.766 1.00 0.72 H new ATOM 0 HE1 TRP A 112 -19.473 11.617 -10.601 1.00 0.83 H new ATOM 0 HE3 TRP A 112 -21.867 7.322 -12.774 1.00 0.96 H new ATOM 0 HZ2 TRP A 112 -19.122 11.438 -13.382 1.00 1.04 H new ATOM 0 HZ3 TRP A 112 -21.061 7.988 -15.001 1.00 1.16 H new ATOM 0 HH2 TRP A 112 -19.714 10.023 -15.300 1.00 1.17 H new ATOM 1728 N ASP A 113 -19.386 7.648 -8.605 1.00 0.42 N ATOM 1729 CA ASP A 113 -18.000 7.153 -8.615 1.00 0.42 C ATOM 1730 C ASP A 113 -17.191 7.775 -7.488 1.00 0.40 C ATOM 1731 O ASP A 113 -17.164 8.995 -7.343 1.00 0.50 O ATOM 1732 CB ASP A 113 -17.318 7.466 -9.958 1.00 0.51 C ATOM 1733 CG ASP A 113 -17.582 6.427 -11.034 1.00 1.26 C ATOM 1734 OD1 ASP A 113 -18.762 6.199 -11.369 1.00 2.15 O ATOM 1735 OD2 ASP A 113 -16.616 5.808 -11.530 1.00 1.61 O ATOM 0 H ASP A 113 -19.517 8.510 -9.134 1.00 0.42 H new ATOM 0 HA ASP A 113 -18.038 6.073 -8.473 1.00 0.42 H new ATOM 0 HB2 ASP A 113 -17.662 8.438 -10.312 1.00 0.51 H new ATOM 0 HB3 ASP A 113 -16.243 7.546 -9.799 1.00 0.51 H new ATOM 1740 N ILE A 114 -16.518 6.933 -6.703 1.00 0.32 N ATOM 1741 CA ILE A 114 -15.798 7.398 -5.516 1.00 0.32 C ATOM 1742 C ILE A 114 -14.298 7.276 -5.741 1.00 0.32 C ATOM 1743 O ILE A 114 -13.843 6.464 -6.550 1.00 0.33 O ATOM 1744 CB ILE A 114 -16.181 6.619 -4.210 1.00 0.31 C ATOM 1745 CG1 ILE A 114 -17.699 6.491 -4.058 1.00 0.39 C ATOM 1746 CG2 ILE A 114 -15.593 7.295 -2.975 1.00 0.33 C ATOM 1747 CD1 ILE A 114 -18.287 5.343 -4.846 1.00 0.38 C ATOM 0 H ILE A 114 -16.456 5.928 -6.867 1.00 0.32 H new ATOM 0 HA ILE A 114 -16.088 8.438 -5.370 1.00 0.32 H new ATOM 0 HB ILE A 114 -15.758 5.618 -4.299 1.00 0.31 H new ATOM 0 HG12 ILE A 114 -17.941 6.360 -3.003 1.00 0.39 H new ATOM 0 HG13 ILE A 114 -18.168 7.421 -4.380 1.00 0.39 H new ATOM 0 HG21 ILE A 114 -15.875 6.734 -2.084 1.00 0.33 H new ATOM 0 HG22 ILE A 114 -14.507 7.323 -3.058 1.00 0.33 H new ATOM 0 HG23 ILE A 114 -15.977 8.312 -2.899 1.00 0.33 H new ATOM 0 HD11 ILE A 114 -19.366 5.311 -4.692 1.00 0.38 H new ATOM 0 HD12 ILE A 114 -18.075 5.483 -5.906 1.00 0.38 H new ATOM 0 HD13 ILE A 114 -17.845 4.406 -4.509 1.00 0.38 H new ATOM 1759 N ASP A 115 -13.543 8.085 -5.023 1.00 0.35 N ATOM 1760 CA ASP A 115 -12.097 8.062 -5.095 1.00 0.38 C ATOM 1761 C ASP A 115 -11.556 7.245 -3.930 1.00 0.34 C ATOM 1762 O ASP A 115 -12.228 7.106 -2.911 1.00 0.31 O ATOM 1763 CB ASP A 115 -11.533 9.490 -5.064 1.00 0.46 C ATOM 1764 CG ASP A 115 -11.803 10.224 -3.762 1.00 1.27 C ATOM 1765 OD1 ASP A 115 -12.978 10.257 -3.332 1.00 2.11 O ATOM 1766 OD2 ASP A 115 -10.842 10.743 -3.151 1.00 1.36 O ATOM 0 H ASP A 115 -13.916 8.777 -4.373 1.00 0.35 H new ATOM 0 HA ASP A 115 -11.787 7.602 -6.033 1.00 0.38 H new ATOM 0 HB2 ASP A 115 -10.457 9.450 -5.232 1.00 0.46 H new ATOM 0 HB3 ASP A 115 -11.963 10.059 -5.888 1.00 0.46 H new ATOM 1771 N TYR A 116 -10.381 6.656 -4.102 1.00 0.37 N ATOM 1772 CA TYR A 116 -9.739 5.887 -3.041 1.00 0.37 C ATOM 1773 C TYR A 116 -8.238 6.111 -3.117 1.00 0.40 C ATOM 1774 O TYR A 116 -7.743 6.606 -4.126 1.00 0.62 O ATOM 1775 CB TYR A 116 -10.034 4.382 -3.158 1.00 0.38 C ATOM 1776 CG TYR A 116 -11.500 4.026 -3.133 1.00 0.37 C ATOM 1777 CD1 TYR A 116 -12.263 4.070 -4.292 1.00 0.37 C ATOM 1778 CD2 TYR A 116 -12.119 3.638 -1.956 1.00 0.40 C ATOM 1779 CE1 TYR A 116 -13.600 3.740 -4.274 1.00 0.39 C ATOM 1780 CE2 TYR A 116 -13.458 3.305 -1.931 1.00 0.42 C ATOM 1781 CZ TYR A 116 -14.194 3.358 -3.096 1.00 0.41 C ATOM 1782 OH TYR A 116 -15.527 3.019 -3.084 1.00 0.45 O ATOM 0 H TYR A 116 -9.849 6.696 -4.971 1.00 0.37 H new ATOM 0 HA TYR A 116 -10.138 6.228 -2.085 1.00 0.37 H new ATOM 0 HB2 TYR A 116 -9.599 4.011 -4.086 1.00 0.38 H new ATOM 0 HB3 TYR A 116 -9.533 3.862 -2.341 1.00 0.38 H new ATOM 0 HD1 TYR A 116 -11.801 4.368 -5.222 1.00 0.37 H new ATOM 0 HD2 TYR A 116 -11.544 3.595 -1.043 1.00 0.40 H new ATOM 0 HE1 TYR A 116 -14.180 3.782 -5.184 1.00 0.39 H new ATOM 0 HE2 TYR A 116 -13.926 3.005 -1.005 1.00 0.42 H new ATOM 0 HH TYR A 116 -15.689 2.354 -2.383 1.00 0.45 H new ATOM 1792 N GLU A 117 -7.523 5.739 -2.068 1.00 0.27 N ATOM 1793 CA GLU A 117 -6.082 5.914 -2.014 1.00 0.28 C ATOM 1794 C GLU A 117 -5.459 4.877 -1.095 1.00 0.28 C ATOM 1795 O GLU A 117 -5.975 4.601 -0.017 1.00 0.31 O ATOM 1796 CB GLU A 117 -5.722 7.315 -1.510 1.00 0.31 C ATOM 1797 CG GLU A 117 -4.227 7.511 -1.297 1.00 0.39 C ATOM 1798 CD GLU A 117 -3.895 8.823 -0.624 1.00 0.51 C ATOM 1799 OE1 GLU A 117 -4.044 8.918 0.614 1.00 0.80 O ATOM 1800 OE2 GLU A 117 -3.500 9.772 -1.327 1.00 0.66 O ATOM 0 H GLU A 117 -7.923 5.309 -1.234 1.00 0.27 H new ATOM 0 HA GLU A 117 -5.691 5.788 -3.024 1.00 0.28 H new ATOM 0 HB2 GLU A 117 -6.080 8.055 -2.226 1.00 0.31 H new ATOM 0 HB3 GLU A 117 -6.244 7.501 -0.571 1.00 0.31 H new ATOM 0 HG2 GLU A 117 -3.841 6.690 -0.692 1.00 0.39 H new ATOM 0 HG3 GLU A 117 -3.719 7.464 -2.260 1.00 0.39 H new ATOM 1807 N LEU A 118 -4.368 4.292 -1.534 1.00 0.29 N ATOM 1808 CA LEU A 118 -3.575 3.432 -0.684 1.00 0.28 C ATOM 1809 C LEU A 118 -2.314 4.158 -0.250 1.00 0.28 C ATOM 1810 O LEU A 118 -1.617 4.751 -1.066 1.00 0.32 O ATOM 1811 CB LEU A 118 -3.227 2.128 -1.407 1.00 0.35 C ATOM 1812 CG LEU A 118 -2.035 1.353 -0.838 1.00 0.40 C ATOM 1813 CD1 LEU A 118 -2.280 0.978 0.612 1.00 1.24 C ATOM 1814 CD2 LEU A 118 -1.763 0.112 -1.668 1.00 1.25 C ATOM 0 H LEU A 118 -4.007 4.397 -2.482 1.00 0.29 H new ATOM 0 HA LEU A 118 -4.158 3.179 0.202 1.00 0.28 H new ATOM 0 HB2 LEU A 118 -4.102 1.478 -1.388 1.00 0.35 H new ATOM 0 HB3 LEU A 118 -3.023 2.357 -2.453 1.00 0.35 H new ATOM 0 HG LEU A 118 -1.157 1.998 -0.881 1.00 0.40 H new ATOM 0 HD11 LEU A 118 -1.421 0.428 0.996 1.00 1.24 H new ATOM 0 HD12 LEU A 118 -2.425 1.883 1.202 1.00 1.24 H new ATOM 0 HD13 LEU A 118 -3.171 0.353 0.681 1.00 1.24 H new ATOM 0 HD21 LEU A 118 -0.913 -0.427 -1.249 1.00 1.25 H new ATOM 0 HD22 LEU A 118 -2.642 -0.533 -1.657 1.00 1.25 H new ATOM 0 HD23 LEU A 118 -1.539 0.403 -2.694 1.00 1.25 H new ATOM 1826 N GLN A 119 -2.052 4.124 1.038 1.00 0.26 N ATOM 1827 CA GLN A 119 -0.847 4.704 1.600 1.00 0.27 C ATOM 1828 C GLN A 119 -0.034 3.600 2.230 1.00 0.26 C ATOM 1829 O GLN A 119 -0.334 3.155 3.331 1.00 0.27 O ATOM 1830 CB GLN A 119 -1.203 5.722 2.668 1.00 0.30 C ATOM 1831 CG GLN A 119 -0.047 6.618 3.070 1.00 0.37 C ATOM 1832 CD GLN A 119 0.077 7.844 2.187 1.00 0.46 C ATOM 1833 OE1 GLN A 119 -0.323 7.719 0.933 1.00 0.63 O flip ATOM 1834 NE2 GLN A 119 0.531 8.897 2.633 1.00 0.51 N flip ATOM 0 H GLN A 119 -2.668 3.693 1.728 1.00 0.26 H new ATOM 0 HA GLN A 119 -0.281 5.199 0.811 1.00 0.27 H new ATOM 0 HB2 GLN A 119 -2.023 6.343 2.306 1.00 0.30 H new ATOM 0 HB3 GLN A 119 -1.567 5.196 3.551 1.00 0.30 H new ATOM 0 HG2 GLN A 119 -0.179 6.933 4.105 1.00 0.37 H new ATOM 0 HG3 GLN A 119 0.881 6.048 3.026 1.00 0.37 H new ATOM 0 HE21 GLN A 119 0.829 8.952 3.607 1.00 0.51 H new ATOM 0 HE22 GLN A 119 0.610 9.715 2.029 1.00 0.51 H new ATOM 1843 N ILE A 120 0.970 3.143 1.537 1.00 0.26 N ATOM 1844 CA ILE A 120 1.682 1.975 1.988 1.00 0.26 C ATOM 1845 C ILE A 120 3.161 2.292 2.240 1.00 0.23 C ATOM 1846 O ILE A 120 3.873 2.781 1.366 1.00 0.24 O ATOM 1847 CB ILE A 120 1.452 0.816 0.980 1.00 0.31 C ATOM 1848 CG1 ILE A 120 1.698 -0.565 1.613 1.00 0.45 C ATOM 1849 CG2 ILE A 120 2.273 1.002 -0.279 1.00 0.36 C ATOM 1850 CD1 ILE A 120 3.124 -0.841 2.026 1.00 0.81 C ATOM 0 H ILE A 120 1.313 3.553 0.668 1.00 0.26 H new ATOM 0 HA ILE A 120 1.293 1.647 2.952 1.00 0.26 H new ATOM 0 HB ILE A 120 0.400 0.851 0.697 1.00 0.31 H new ATOM 0 HG12 ILE A 120 1.058 -0.664 2.490 1.00 0.45 H new ATOM 0 HG13 ILE A 120 1.388 -1.332 0.903 1.00 0.45 H new ATOM 0 HG21 ILE A 120 2.086 0.172 -0.961 1.00 0.36 H new ATOM 0 HG22 ILE A 120 1.992 1.938 -0.761 1.00 0.36 H new ATOM 0 HG23 ILE A 120 3.332 1.029 -0.022 1.00 0.36 H new ATOM 0 HD11 ILE A 120 3.190 -1.839 2.460 1.00 0.81 H new ATOM 0 HD12 ILE A 120 3.774 -0.781 1.153 1.00 0.81 H new ATOM 0 HD13 ILE A 120 3.439 -0.103 2.764 1.00 0.81 H new ATOM 1862 N GLY A 121 3.582 2.077 3.479 1.00 0.23 N ATOM 1863 CA GLY A 121 4.961 2.286 3.860 1.00 0.23 C ATOM 1864 C GLY A 121 5.801 1.050 3.652 1.00 0.22 C ATOM 1865 O GLY A 121 5.433 -0.037 4.106 1.00 0.26 O ATOM 0 H GLY A 121 2.980 1.756 4.237 1.00 0.23 H new ATOM 0 HA2 GLY A 121 5.377 3.108 3.278 1.00 0.23 H new ATOM 0 HA3 GLY A 121 5.006 2.582 4.908 1.00 0.23 H new ATOM 1869 N LEU A 122 6.921 1.209 2.972 1.00 0.23 N ATOM 1870 CA LEU A 122 7.787 0.086 2.655 1.00 0.25 C ATOM 1871 C LEU A 122 8.966 0.032 3.597 1.00 0.23 C ATOM 1872 O LEU A 122 9.982 0.690 3.379 1.00 0.30 O ATOM 1873 CB LEU A 122 8.290 0.185 1.213 1.00 0.30 C ATOM 1874 CG LEU A 122 7.327 -0.305 0.131 1.00 0.45 C ATOM 1875 CD1 LEU A 122 5.920 0.172 0.408 1.00 1.20 C ATOM 1876 CD2 LEU A 122 7.794 0.178 -1.224 1.00 1.00 C ATOM 0 H LEU A 122 7.255 2.109 2.627 1.00 0.23 H new ATOM 0 HA LEU A 122 7.202 -0.827 2.769 1.00 0.25 H new ATOM 0 HB2 LEU A 122 8.538 1.226 1.006 1.00 0.30 H new ATOM 0 HB3 LEU A 122 9.216 -0.385 1.132 1.00 0.30 H new ATOM 0 HG LEU A 122 7.318 -1.395 0.137 1.00 0.45 H new ATOM 0 HD11 LEU A 122 5.253 -0.189 -0.375 1.00 1.20 H new ATOM 0 HD12 LEU A 122 5.589 -0.212 1.373 1.00 1.20 H new ATOM 0 HD13 LEU A 122 5.902 1.262 0.426 1.00 1.20 H new ATOM 0 HD21 LEU A 122 7.105 -0.173 -1.993 1.00 1.00 H new ATOM 0 HD22 LEU A 122 7.822 1.268 -1.232 1.00 1.00 H new ATOM 0 HD23 LEU A 122 8.792 -0.212 -1.425 1.00 1.00 H new ATOM 1888 N THR A 123 8.813 -0.724 4.660 1.00 0.22 N ATOM 1889 CA THR A 123 9.911 -0.997 5.556 1.00 0.21 C ATOM 1890 C THR A 123 10.564 -2.301 5.150 1.00 0.23 C ATOM 1891 O THR A 123 10.103 -3.371 5.513 1.00 0.32 O ATOM 1892 CB THR A 123 9.422 -1.110 7.004 1.00 0.24 C ATOM 1893 OG1 THR A 123 8.793 0.109 7.409 1.00 0.26 O ATOM 1894 CG2 THR A 123 10.562 -1.446 7.955 1.00 0.26 C ATOM 0 H THR A 123 7.932 -1.163 4.926 1.00 0.22 H new ATOM 0 HA THR A 123 10.625 -0.176 5.495 1.00 0.21 H new ATOM 0 HB THR A 123 8.698 -1.923 7.047 1.00 0.24 H new ATOM 0 HG1 THR A 123 7.915 -0.089 7.797 1.00 0.26 H new ATOM 0 HG21 THR A 123 10.178 -1.518 8.972 1.00 0.26 H new ATOM 0 HG22 THR A 123 11.007 -2.398 7.667 1.00 0.26 H new ATOM 0 HG23 THR A 123 11.318 -0.663 7.907 1.00 0.26 H new ATOM 1902 N ILE A 124 11.618 -2.227 4.377 1.00 0.20 N ATOM 1903 CA ILE A 124 12.254 -3.434 3.899 1.00 0.21 C ATOM 1904 C ILE A 124 13.625 -3.601 4.521 1.00 0.24 C ATOM 1905 O ILE A 124 14.377 -2.634 4.671 1.00 0.32 O ATOM 1906 CB ILE A 124 12.345 -3.498 2.356 1.00 0.23 C ATOM 1907 CG1 ILE A 124 13.011 -2.246 1.761 1.00 0.25 C ATOM 1908 CG2 ILE A 124 10.954 -3.709 1.766 1.00 0.25 C ATOM 1909 CD1 ILE A 124 12.069 -1.088 1.488 1.00 0.98 C ATOM 0 H ILE A 124 12.051 -1.357 4.067 1.00 0.20 H new ATOM 0 HA ILE A 124 11.618 -4.263 4.210 1.00 0.21 H new ATOM 0 HB ILE A 124 12.979 -4.344 2.092 1.00 0.23 H new ATOM 0 HG12 ILE A 124 13.790 -1.908 2.444 1.00 0.25 H new ATOM 0 HG13 ILE A 124 13.503 -2.523 0.828 1.00 0.25 H new ATOM 0 HG21 ILE A 124 11.023 -3.753 0.679 1.00 0.25 H new ATOM 0 HG22 ILE A 124 10.537 -4.643 2.142 1.00 0.25 H new ATOM 0 HG23 ILE A 124 10.307 -2.881 2.055 1.00 0.25 H new ATOM 0 HD11 ILE A 124 12.631 -0.253 1.070 1.00 0.98 H new ATOM 0 HD12 ILE A 124 11.303 -1.401 0.778 1.00 0.98 H new ATOM 0 HD13 ILE A 124 11.595 -0.777 2.419 1.00 0.98 H new ATOM 1921 N ASP A 125 13.927 -4.830 4.910 1.00 0.25 N ATOM 1922 CA ASP A 125 15.190 -5.148 5.541 1.00 0.30 C ATOM 1923 C ASP A 125 16.235 -5.261 4.453 1.00 0.30 C ATOM 1924 O ASP A 125 16.242 -6.221 3.688 1.00 0.31 O ATOM 1925 CB ASP A 125 15.061 -6.465 6.319 1.00 0.37 C ATOM 1926 CG ASP A 125 16.117 -6.642 7.388 1.00 0.91 C ATOM 1927 OD1 ASP A 125 17.256 -7.021 7.053 1.00 1.44 O ATOM 1928 OD2 ASP A 125 15.803 -6.423 8.581 1.00 1.52 O ATOM 0 H ASP A 125 13.304 -5.629 4.796 1.00 0.25 H new ATOM 0 HA ASP A 125 15.480 -4.371 6.248 1.00 0.30 H new ATOM 0 HB2 ASP A 125 14.075 -6.509 6.783 1.00 0.37 H new ATOM 0 HB3 ASP A 125 15.121 -7.298 5.619 1.00 0.37 H new ATOM 1933 N LEU A 126 17.095 -4.260 4.385 1.00 0.32 N ATOM 1934 CA LEU A 126 18.044 -4.111 3.289 1.00 0.33 C ATOM 1935 C LEU A 126 19.466 -4.289 3.785 1.00 0.37 C ATOM 1936 O LEU A 126 19.705 -4.281 4.983 1.00 0.55 O ATOM 1937 CB LEU A 126 17.907 -2.716 2.673 1.00 0.42 C ATOM 1938 CG LEU A 126 16.655 -2.481 1.834 1.00 0.38 C ATOM 1939 CD1 LEU A 126 16.198 -1.043 1.977 1.00 1.26 C ATOM 1940 CD2 LEU A 126 16.927 -2.803 0.370 1.00 1.28 C ATOM 0 H LEU A 126 17.157 -3.524 5.089 1.00 0.32 H new ATOM 0 HA LEU A 126 17.826 -4.874 2.542 1.00 0.33 H new ATOM 0 HB2 LEU A 126 17.926 -1.981 3.477 1.00 0.42 H new ATOM 0 HB3 LEU A 126 18.780 -2.528 2.049 1.00 0.42 H new ATOM 0 HG LEU A 126 15.865 -3.141 2.192 1.00 0.38 H new ATOM 0 HD11 LEU A 126 15.304 -0.884 1.375 1.00 1.26 H new ATOM 0 HD12 LEU A 126 15.973 -0.835 3.023 1.00 1.26 H new ATOM 0 HD13 LEU A 126 16.989 -0.374 1.636 1.00 1.26 H new ATOM 0 HD21 LEU A 126 16.023 -2.630 -0.215 1.00 1.28 H new ATOM 0 HD22 LEU A 126 17.727 -2.163 -0.001 1.00 1.28 H new ATOM 0 HD23 LEU A 126 17.225 -3.847 0.276 1.00 1.28 H new ATOM 1952 N PRO A 127 20.432 -4.466 2.882 1.00 0.43 N ATOM 1953 CA PRO A 127 21.847 -4.459 3.252 1.00 0.52 C ATOM 1954 C PRO A 127 22.370 -3.037 3.481 1.00 0.60 C ATOM 1955 O PRO A 127 23.423 -2.842 4.080 1.00 0.74 O ATOM 1956 CB PRO A 127 22.550 -5.096 2.040 1.00 0.60 C ATOM 1957 CG PRO A 127 21.458 -5.586 1.140 1.00 0.73 C ATOM 1958 CD PRO A 127 20.248 -4.756 1.453 1.00 0.55 C ATOM 0 HA PRO A 127 22.025 -4.993 4.186 1.00 0.52 H new ATOM 0 HB2 PRO A 127 23.181 -4.369 1.528 1.00 0.60 H new ATOM 0 HB3 PRO A 127 23.197 -5.916 2.351 1.00 0.60 H new ATOM 0 HG2 PRO A 127 21.741 -5.481 0.093 1.00 0.73 H new ATOM 0 HG3 PRO A 127 21.259 -6.644 1.311 1.00 0.73 H new ATOM 0 HD2 PRO A 127 20.212 -3.846 0.854 1.00 0.55 H new ATOM 0 HD3 PRO A 127 19.322 -5.299 1.264 1.00 0.55 H new ATOM 1966 N VAL A 128 21.622 -2.046 2.993 1.00 0.60 N ATOM 1967 CA VAL A 128 22.069 -0.652 3.038 1.00 0.72 C ATOM 1968 C VAL A 128 21.958 -0.050 4.435 1.00 0.71 C ATOM 1969 O VAL A 128 22.951 0.381 5.012 1.00 0.82 O ATOM 1970 CB VAL A 128 21.250 0.231 2.084 1.00 0.83 C ATOM 1971 CG1 VAL A 128 21.991 1.527 1.806 1.00 1.12 C ATOM 1972 CG2 VAL A 128 20.928 -0.503 0.797 1.00 1.02 C ATOM 0 H VAL A 128 20.707 -2.182 2.563 1.00 0.60 H new ATOM 0 HA VAL A 128 23.116 -0.672 2.734 1.00 0.72 H new ATOM 0 HB VAL A 128 20.302 0.472 2.566 1.00 0.83 H new ATOM 0 HG11 VAL A 128 21.402 2.145 1.129 1.00 1.12 H new ATOM 0 HG12 VAL A 128 22.150 2.063 2.742 1.00 1.12 H new ATOM 0 HG13 VAL A 128 22.955 1.304 1.348 1.00 1.12 H new ATOM 0 HG21 VAL A 128 20.348 0.148 0.142 1.00 1.02 H new ATOM 0 HG22 VAL A 128 21.855 -0.786 0.298 1.00 1.02 H new ATOM 0 HG23 VAL A 128 20.349 -1.399 1.024 1.00 1.02 H new ATOM 1982 N VAL A 129 20.743 -0.026 4.968 1.00 0.62 N ATOM 1983 CA VAL A 129 20.481 0.570 6.279 1.00 0.63 C ATOM 1984 C VAL A 129 20.112 -0.529 7.252 1.00 0.55 C ATOM 1985 O VAL A 129 19.853 -0.309 8.435 1.00 0.55 O ATOM 1986 CB VAL A 129 19.312 1.570 6.217 1.00 0.69 C ATOM 1987 CG1 VAL A 129 19.331 2.516 7.410 1.00 1.35 C ATOM 1988 CG2 VAL A 129 19.340 2.335 4.914 1.00 1.26 C ATOM 0 H VAL A 129 19.917 -0.414 4.512 1.00 0.62 H new ATOM 0 HA VAL A 129 21.380 1.098 6.599 1.00 0.63 H new ATOM 0 HB VAL A 129 18.380 1.006 6.262 1.00 0.69 H new ATOM 0 HG11 VAL A 129 18.493 3.210 7.338 1.00 1.35 H new ATOM 0 HG12 VAL A 129 19.247 1.941 8.332 1.00 1.35 H new ATOM 0 HG13 VAL A 129 20.266 3.076 7.416 1.00 1.35 H new ATOM 0 HG21 VAL A 129 18.507 3.037 4.887 1.00 1.26 H new ATOM 0 HG22 VAL A 129 20.279 2.882 4.834 1.00 1.26 H new ATOM 0 HG23 VAL A 129 19.254 1.638 4.081 1.00 1.26 H new ATOM 1998 N GLY A 130 20.108 -1.725 6.712 1.00 0.53 N ATOM 1999 CA GLY A 130 19.586 -2.875 7.427 1.00 0.55 C ATOM 2000 C GLY A 130 18.079 -2.930 7.350 1.00 0.58 C ATOM 2001 O GLY A 130 17.481 -3.997 7.381 1.00 1.05 O ATOM 0 H GLY A 130 20.461 -1.931 5.777 1.00 0.53 H new ATOM 0 HA2 GLY A 130 20.007 -3.789 7.008 1.00 0.55 H new ATOM 0 HA3 GLY A 130 19.898 -2.830 8.470 1.00 0.55 H new ATOM 2005 N GLU A 131 17.481 -1.763 7.224 1.00 0.49 N ATOM 2006 CA GLU A 131 16.047 -1.613 7.129 1.00 0.46 C ATOM 2007 C GLU A 131 15.742 -0.147 6.879 1.00 0.49 C ATOM 2008 O GLU A 131 16.442 0.728 7.390 1.00 0.75 O ATOM 2009 CB GLU A 131 15.372 -2.066 8.425 1.00 0.59 C ATOM 2010 CG GLU A 131 15.690 -1.170 9.612 1.00 0.73 C ATOM 2011 CD GLU A 131 15.118 -1.687 10.909 1.00 0.93 C ATOM 2012 OE1 GLU A 131 15.612 -2.718 11.411 1.00 1.01 O ATOM 2013 OE2 GLU A 131 14.174 -1.061 11.434 1.00 1.16 O ATOM 0 H GLU A 131 17.988 -0.879 7.184 1.00 0.49 H new ATOM 0 HA GLU A 131 15.666 -2.229 6.315 1.00 0.46 H new ATOM 0 HB2 GLU A 131 14.293 -2.090 8.275 1.00 0.59 H new ATOM 0 HB3 GLU A 131 15.685 -3.085 8.653 1.00 0.59 H new ATOM 0 HG2 GLU A 131 16.771 -1.076 9.710 1.00 0.73 H new ATOM 0 HG3 GLU A 131 15.299 -0.171 9.421 1.00 0.73 H new ATOM 2020 N PHE A 132 14.735 0.130 6.084 1.00 0.39 N ATOM 2021 CA PHE A 132 14.339 1.502 5.851 1.00 0.48 C ATOM 2022 C PHE A 132 12.884 1.548 5.435 1.00 0.35 C ATOM 2023 O PHE A 132 12.406 0.635 4.766 1.00 0.33 O ATOM 2024 CB PHE A 132 15.224 2.145 4.778 1.00 0.69 C ATOM 2025 CG PHE A 132 15.251 3.646 4.846 1.00 1.02 C ATOM 2026 CD1 PHE A 132 15.987 4.298 5.819 1.00 1.22 C ATOM 2027 CD2 PHE A 132 14.537 4.402 3.930 1.00 1.31 C ATOM 2028 CE1 PHE A 132 16.010 5.679 5.881 1.00 1.66 C ATOM 2029 CE2 PHE A 132 14.555 5.783 3.985 1.00 1.74 C ATOM 2030 CZ PHE A 132 15.308 6.421 4.982 1.00 1.91 C ATOM 0 H PHE A 132 14.178 -0.568 5.591 1.00 0.39 H new ATOM 0 HA PHE A 132 14.464 2.067 6.775 1.00 0.48 H new ATOM 0 HB2 PHE A 132 16.241 1.766 4.881 1.00 0.69 H new ATOM 0 HB3 PHE A 132 14.868 1.840 3.794 1.00 0.69 H new ATOM 0 HD1 PHE A 132 16.550 3.722 6.538 1.00 1.22 H new ATOM 0 HD2 PHE A 132 13.959 3.906 3.164 1.00 1.31 H new ATOM 0 HE1 PHE A 132 16.589 6.172 6.648 1.00 1.66 H new ATOM 0 HE2 PHE A 132 13.995 6.365 3.268 1.00 1.74 H new ATOM 0 HZ PHE A 132 15.330 7.499 5.036 1.00 1.91 H new ATOM 2040 N THR A 133 12.187 2.593 5.845 1.00 0.37 N ATOM 2041 CA THR A 133 10.786 2.744 5.516 1.00 0.32 C ATOM 2042 C THR A 133 10.570 3.934 4.582 1.00 0.31 C ATOM 2043 O THR A 133 10.726 5.097 4.969 1.00 0.36 O ATOM 2044 CB THR A 133 9.912 2.885 6.790 1.00 0.44 C ATOM 2045 OG1 THR A 133 8.546 3.148 6.435 1.00 1.19 O ATOM 2046 CG2 THR A 133 10.427 3.989 7.706 1.00 1.17 C ATOM 0 H THR A 133 12.573 3.351 6.408 1.00 0.37 H new ATOM 0 HA THR A 133 10.474 1.837 4.998 1.00 0.32 H new ATOM 0 HB THR A 133 9.970 1.940 7.331 1.00 0.44 H new ATOM 0 HG1 THR A 133 8.007 3.233 7.249 1.00 1.19 H new ATOM 0 HG21 THR A 133 9.789 4.058 8.587 1.00 1.17 H new ATOM 0 HG22 THR A 133 11.447 3.760 8.013 1.00 1.17 H new ATOM 0 HG23 THR A 133 10.413 4.940 7.173 1.00 1.17 H new ATOM 2054 N ILE A 134 10.266 3.630 3.332 1.00 0.28 N ATOM 2055 CA ILE A 134 9.857 4.642 2.374 1.00 0.31 C ATOM 2056 C ILE A 134 8.416 4.375 1.968 1.00 0.28 C ATOM 2057 O ILE A 134 8.059 3.252 1.637 1.00 0.26 O ATOM 2058 CB ILE A 134 10.778 4.698 1.124 1.00 0.36 C ATOM 2059 CG1 ILE A 134 10.976 3.311 0.492 1.00 0.41 C ATOM 2060 CG2 ILE A 134 12.121 5.316 1.480 1.00 0.41 C ATOM 2061 CD1 ILE A 134 9.990 2.991 -0.613 1.00 0.50 C ATOM 0 H ILE A 134 10.295 2.683 2.955 1.00 0.28 H new ATOM 0 HA ILE A 134 9.942 5.617 2.854 1.00 0.31 H new ATOM 0 HB ILE A 134 10.283 5.326 0.383 1.00 0.36 H new ATOM 0 HG12 ILE A 134 11.988 3.246 0.092 1.00 0.41 H new ATOM 0 HG13 ILE A 134 10.892 2.553 1.271 1.00 0.41 H new ATOM 0 HG21 ILE A 134 12.754 5.347 0.593 1.00 0.41 H new ATOM 0 HG22 ILE A 134 11.968 6.329 1.853 1.00 0.41 H new ATOM 0 HG23 ILE A 134 12.605 4.715 2.250 1.00 0.41 H new ATOM 0 HD11 ILE A 134 10.196 1.996 -1.007 1.00 0.50 H new ATOM 0 HD12 ILE A 134 8.976 3.021 -0.215 1.00 0.50 H new ATOM 0 HD13 ILE A 134 10.088 3.725 -1.412 1.00 0.50 H new ATOM 2073 N PRO A 135 7.547 5.376 2.050 1.00 0.30 N ATOM 2074 CA PRO A 135 6.150 5.198 1.730 1.00 0.29 C ATOM 2075 C PRO A 135 5.847 5.447 0.259 1.00 0.28 C ATOM 2076 O PRO A 135 6.612 6.105 -0.451 1.00 0.31 O ATOM 2077 CB PRO A 135 5.452 6.237 2.614 1.00 0.35 C ATOM 2078 CG PRO A 135 6.516 7.213 3.043 1.00 0.45 C ATOM 2079 CD PRO A 135 7.833 6.744 2.475 1.00 0.39 C ATOM 0 HA PRO A 135 5.818 4.175 1.908 1.00 0.29 H new ATOM 0 HB2 PRO A 135 4.658 6.744 2.065 1.00 0.35 H new ATOM 0 HB3 PRO A 135 4.988 5.763 3.479 1.00 0.35 H new ATOM 0 HG2 PRO A 135 6.281 8.215 2.684 1.00 0.45 H new ATOM 0 HG3 PRO A 135 6.567 7.268 4.130 1.00 0.45 H new ATOM 0 HD2 PRO A 135 8.155 7.366 1.640 1.00 0.39 H new ATOM 0 HD3 PRO A 135 8.627 6.776 3.221 1.00 0.39 H new ATOM 2087 N ILE A 136 4.723 4.920 -0.182 1.00 0.26 N ATOM 2088 CA ILE A 136 4.278 5.064 -1.546 1.00 0.27 C ATOM 2089 C ILE A 136 2.759 4.901 -1.566 1.00 0.26 C ATOM 2090 O ILE A 136 2.165 4.467 -0.576 1.00 0.26 O ATOM 2091 CB ILE A 136 4.994 4.055 -2.489 1.00 0.28 C ATOM 2092 CG1 ILE A 136 4.707 4.374 -3.969 1.00 0.44 C ATOM 2093 CG2 ILE A 136 4.618 2.620 -2.146 1.00 0.33 C ATOM 2094 CD1 ILE A 136 3.699 3.463 -4.640 1.00 0.32 C ATOM 0 H ILE A 136 4.090 4.376 0.404 1.00 0.26 H new ATOM 0 HA ILE A 136 4.539 6.053 -1.924 1.00 0.27 H new ATOM 0 HB ILE A 136 6.068 4.159 -2.334 1.00 0.28 H new ATOM 0 HG12 ILE A 136 4.349 5.401 -4.040 1.00 0.44 H new ATOM 0 HG13 ILE A 136 5.644 4.324 -4.524 1.00 0.44 H new ATOM 0 HG21 ILE A 136 5.134 1.937 -2.822 1.00 0.33 H new ATOM 0 HG22 ILE A 136 4.910 2.403 -1.118 1.00 0.33 H new ATOM 0 HG23 ILE A 136 3.541 2.491 -2.252 1.00 0.33 H new ATOM 0 HD11 ILE A 136 3.566 3.769 -5.678 1.00 0.32 H new ATOM 0 HD12 ILE A 136 4.060 2.435 -4.608 1.00 0.32 H new ATOM 0 HD13 ILE A 136 2.745 3.529 -4.117 1.00 0.32 H new ATOM 2106 N SER A 137 2.130 5.259 -2.662 1.00 0.28 N ATOM 2107 CA SER A 137 0.691 5.367 -2.686 1.00 0.30 C ATOM 2108 C SER A 137 0.119 4.831 -3.987 1.00 0.30 C ATOM 2109 O SER A 137 0.794 4.828 -5.017 1.00 0.32 O ATOM 2110 CB SER A 137 0.288 6.828 -2.505 1.00 0.34 C ATOM 2111 OG SER A 137 1.073 7.455 -1.505 1.00 0.88 O ATOM 0 H SER A 137 2.591 5.479 -3.545 1.00 0.28 H new ATOM 0 HA SER A 137 0.288 4.768 -1.870 1.00 0.30 H new ATOM 0 HB2 SER A 137 0.404 7.360 -3.449 1.00 0.34 H new ATOM 0 HB3 SER A 137 -0.766 6.887 -2.234 1.00 0.34 H new ATOM 0 HG SER A 137 0.547 7.542 -0.683 1.00 0.88 H new ATOM 2117 N SER A 138 -1.118 4.368 -3.939 1.00 0.31 N ATOM 2118 CA SER A 138 -1.821 3.941 -5.130 1.00 0.34 C ATOM 2119 C SER A 138 -3.287 4.324 -4.982 1.00 0.34 C ATOM 2120 O SER A 138 -4.014 3.732 -4.187 1.00 0.35 O ATOM 2121 CB SER A 138 -1.660 2.424 -5.329 1.00 0.40 C ATOM 2122 OG SER A 138 -2.304 1.973 -6.510 1.00 0.96 O ATOM 0 H SER A 138 -1.658 4.279 -3.078 1.00 0.31 H new ATOM 0 HA SER A 138 -1.406 4.431 -6.011 1.00 0.34 H new ATOM 0 HB2 SER A 138 -0.600 2.175 -5.376 1.00 0.40 H new ATOM 0 HB3 SER A 138 -2.073 1.899 -4.468 1.00 0.40 H new ATOM 0 HG SER A 138 -2.178 1.006 -6.602 1.00 0.96 H new ATOM 2128 N LYS A 139 -3.706 5.353 -5.699 1.00 0.36 N ATOM 2129 CA LYS A 139 -5.067 5.850 -5.578 1.00 0.38 C ATOM 2130 C LYS A 139 -5.820 5.682 -6.885 1.00 0.41 C ATOM 2131 O LYS A 139 -5.221 5.733 -7.962 1.00 0.47 O ATOM 2132 CB LYS A 139 -5.083 7.322 -5.148 1.00 0.44 C ATOM 2133 CG LYS A 139 -4.343 8.272 -6.078 1.00 0.57 C ATOM 2134 CD LYS A 139 -2.878 8.422 -5.691 1.00 0.92 C ATOM 2135 CE LYS A 139 -2.726 8.897 -4.251 1.00 1.35 C ATOM 2136 NZ LYS A 139 -3.436 10.183 -4.001 1.00 1.76 N ATOM 0 H LYS A 139 -3.126 5.859 -6.369 1.00 0.36 H new ATOM 0 HA LYS A 139 -5.565 5.261 -4.808 1.00 0.38 H new ATOM 0 HB2 LYS A 139 -6.119 7.650 -5.068 1.00 0.44 H new ATOM 0 HB3 LYS A 139 -4.646 7.399 -4.152 1.00 0.44 H new ATOM 0 HG2 LYS A 139 -4.412 7.904 -7.102 1.00 0.57 H new ATOM 0 HG3 LYS A 139 -4.826 9.249 -6.057 1.00 0.57 H new ATOM 0 HD2 LYS A 139 -2.368 7.467 -5.816 1.00 0.92 H new ATOM 0 HD3 LYS A 139 -2.394 9.132 -6.362 1.00 0.92 H new ATOM 0 HE2 LYS A 139 -3.114 8.134 -3.576 1.00 1.35 H new ATOM 0 HE3 LYS A 139 -1.668 9.018 -4.021 1.00 1.35 H new ATOM 0 HZ1 LYS A 139 -3.304 10.465 -3.009 1.00 1.76 H new ATOM 0 HZ2 LYS A 139 -3.050 10.920 -4.625 1.00 1.76 H new ATOM 0 HZ3 LYS A 139 -4.451 10.063 -4.194 1.00 1.76 H new ATOM 2150 N GLY A 140 -7.128 5.478 -6.803 1.00 0.42 N ATOM 2151 CA GLY A 140 -7.919 5.313 -7.996 1.00 0.50 C ATOM 2152 C GLY A 140 -9.390 5.574 -7.746 1.00 0.46 C ATOM 2153 O GLY A 140 -9.897 5.337 -6.652 1.00 0.47 O ATOM 0 H GLY A 140 -7.651 5.425 -5.929 1.00 0.42 H new ATOM 0 HA2 GLY A 140 -7.557 5.993 -8.767 1.00 0.50 H new ATOM 0 HA3 GLY A 140 -7.791 4.300 -8.378 1.00 0.50 H new ATOM 2157 N GLU A 141 -10.053 6.081 -8.764 1.00 0.44 N ATOM 2158 CA GLU A 141 -11.494 6.306 -8.718 1.00 0.42 C ATOM 2159 C GLU A 141 -12.181 5.253 -9.568 1.00 0.43 C ATOM 2160 O GLU A 141 -11.862 5.120 -10.750 1.00 0.48 O ATOM 2161 CB GLU A 141 -11.846 7.692 -9.252 1.00 0.45 C ATOM 2162 CG GLU A 141 -11.009 8.815 -8.665 1.00 0.52 C ATOM 2163 CD GLU A 141 -11.235 10.129 -9.379 1.00 1.24 C ATOM 2164 OE1 GLU A 141 -12.215 10.830 -9.047 1.00 2.10 O ATOM 2165 OE2 GLU A 141 -10.433 10.478 -10.271 1.00 1.51 O ATOM 0 H GLU A 141 -9.616 6.350 -9.646 1.00 0.44 H new ATOM 0 HA GLU A 141 -11.829 6.240 -7.683 1.00 0.42 H new ATOM 0 HB2 GLU A 141 -11.727 7.693 -10.335 1.00 0.45 H new ATOM 0 HB3 GLU A 141 -12.898 7.892 -9.047 1.00 0.45 H new ATOM 0 HG2 GLU A 141 -11.250 8.931 -7.608 1.00 0.52 H new ATOM 0 HG3 GLU A 141 -9.954 8.548 -8.724 1.00 0.52 H new ATOM 2172 N ILE A 142 -13.121 4.502 -9.003 1.00 0.42 N ATOM 2173 CA ILE A 142 -13.774 3.445 -9.760 1.00 0.47 C ATOM 2174 C ILE A 142 -15.267 3.469 -9.469 1.00 0.46 C ATOM 2175 O ILE A 142 -15.726 4.238 -8.616 1.00 0.42 O ATOM 2176 CB ILE A 142 -13.202 2.012 -9.496 1.00 0.54 C ATOM 2177 CG1 ILE A 142 -13.846 1.337 -8.272 1.00 0.76 C ATOM 2178 CG2 ILE A 142 -11.685 2.042 -9.345 1.00 0.60 C ATOM 2179 CD1 ILE A 142 -13.484 1.961 -6.950 1.00 0.67 C ATOM 0 H ILE A 142 -13.442 4.604 -8.040 1.00 0.42 H new ATOM 0 HA ILE A 142 -13.574 3.652 -10.811 1.00 0.47 H new ATOM 0 HB ILE A 142 -13.456 1.413 -10.371 1.00 0.54 H new ATOM 0 HG12 ILE A 142 -14.930 1.364 -8.387 1.00 0.76 H new ATOM 0 HG13 ILE A 142 -13.553 0.287 -8.256 1.00 0.76 H new ATOM 0 HG21 ILE A 142 -11.317 1.032 -9.163 1.00 0.60 H new ATOM 0 HG22 ILE A 142 -11.236 2.432 -10.258 1.00 0.60 H new ATOM 0 HG23 ILE A 142 -11.416 2.683 -8.506 1.00 0.60 H new ATOM 0 HD11 ILE A 142 -13.982 1.422 -6.144 1.00 0.67 H new ATOM 0 HD12 ILE A 142 -12.405 1.910 -6.807 1.00 0.67 H new ATOM 0 HD13 ILE A 142 -13.803 3.003 -6.940 1.00 0.67 H new ATOM 2191 N LYS A 143 -16.012 2.652 -10.199 1.00 0.53 N ATOM 2192 CA LYS A 143 -17.461 2.602 -10.081 1.00 0.57 C ATOM 2193 C LYS A 143 -17.918 2.332 -8.650 1.00 0.54 C ATOM 2194 O LYS A 143 -17.164 1.823 -7.817 1.00 0.57 O ATOM 2195 CB LYS A 143 -18.020 1.523 -11.001 1.00 0.70 C ATOM 2196 CG LYS A 143 -17.643 1.712 -12.460 1.00 1.44 C ATOM 2197 CD LYS A 143 -17.978 0.482 -13.286 1.00 2.04 C ATOM 2198 CE LYS A 143 -17.647 0.689 -14.756 1.00 2.74 C ATOM 2199 NZ LYS A 143 -16.234 1.110 -14.962 1.00 3.53 N ATOM 0 H LYS A 143 -15.629 2.006 -10.889 1.00 0.53 H new ATOM 0 HA LYS A 143 -17.841 3.581 -10.372 1.00 0.57 H new ATOM 0 HB2 LYS A 143 -17.662 0.550 -10.665 1.00 0.70 H new ATOM 0 HB3 LYS A 143 -19.106 1.510 -10.914 1.00 0.70 H new ATOM 0 HG2 LYS A 143 -18.169 2.577 -12.864 1.00 1.44 H new ATOM 0 HG3 LYS A 143 -16.576 1.924 -12.537 1.00 1.44 H new ATOM 0 HD2 LYS A 143 -17.424 -0.375 -12.905 1.00 2.04 H new ATOM 0 HD3 LYS A 143 -19.038 0.249 -13.180 1.00 2.04 H new ATOM 0 HE2 LYS A 143 -17.832 -0.236 -15.302 1.00 2.74 H new ATOM 0 HE3 LYS A 143 -18.313 1.444 -15.174 1.00 2.74 H new ATOM 0 HZ1 LYS A 143 -15.990 1.027 -15.970 1.00 3.53 H new ATOM 0 HZ2 LYS A 143 -16.118 2.098 -14.658 1.00 3.53 H new ATOM 0 HZ3 LYS A 143 -15.605 0.500 -14.402 1.00 3.53 H new ATOM 2213 N LEU A 144 -19.173 2.673 -8.394 1.00 0.60 N ATOM 2214 CA LEU A 144 -19.798 2.480 -7.093 1.00 0.66 C ATOM 2215 C LEU A 144 -19.717 1.014 -6.668 1.00 0.60 C ATOM 2216 O LEU A 144 -19.972 0.111 -7.471 1.00 0.63 O ATOM 2217 CB LEU A 144 -21.268 2.923 -7.165 1.00 0.83 C ATOM 2218 CG LEU A 144 -22.046 2.886 -5.847 1.00 0.69 C ATOM 2219 CD1 LEU A 144 -21.616 4.023 -4.932 1.00 1.21 C ATOM 2220 CD2 LEU A 144 -23.543 2.951 -6.114 1.00 1.23 C ATOM 0 H LEU A 144 -19.791 3.094 -9.088 1.00 0.60 H new ATOM 0 HA LEU A 144 -19.269 3.081 -6.354 1.00 0.66 H new ATOM 0 HB2 LEU A 144 -21.301 3.940 -7.555 1.00 0.83 H new ATOM 0 HB3 LEU A 144 -21.783 2.288 -7.886 1.00 0.83 H new ATOM 0 HG LEU A 144 -21.823 1.945 -5.344 1.00 0.69 H new ATOM 0 HD11 LEU A 144 -22.183 3.976 -4.002 1.00 1.21 H new ATOM 0 HD12 LEU A 144 -20.552 3.932 -4.714 1.00 1.21 H new ATOM 0 HD13 LEU A 144 -21.805 4.977 -5.424 1.00 1.21 H new ATOM 0 HD21 LEU A 144 -24.083 2.924 -5.168 1.00 1.23 H new ATOM 0 HD22 LEU A 144 -23.779 3.876 -6.640 1.00 1.23 H new ATOM 0 HD23 LEU A 144 -23.841 2.100 -6.726 1.00 1.23 H new ATOM 2232 N PRO A 145 -19.344 0.762 -5.402 1.00 0.61 N ATOM 2233 CA PRO A 145 -19.289 -0.594 -4.845 1.00 0.64 C ATOM 2234 C PRO A 145 -20.671 -1.245 -4.817 1.00 0.66 C ATOM 2235 O PRO A 145 -21.687 -0.572 -5.009 1.00 0.65 O ATOM 2236 CB PRO A 145 -18.756 -0.375 -3.427 1.00 0.71 C ATOM 2237 CG PRO A 145 -19.076 1.042 -3.114 1.00 0.69 C ATOM 2238 CD PRO A 145 -18.947 1.776 -4.415 1.00 0.67 C ATOM 0 HA PRO A 145 -18.667 -1.266 -5.437 1.00 0.64 H new ATOM 0 HB2 PRO A 145 -19.230 -1.053 -2.717 1.00 0.71 H new ATOM 0 HB3 PRO A 145 -17.683 -0.559 -3.375 1.00 0.71 H new ATOM 0 HG2 PRO A 145 -20.083 1.137 -2.708 1.00 0.69 H new ATOM 0 HG3 PRO A 145 -18.392 1.444 -2.367 1.00 0.69 H new ATOM 0 HD2 PRO A 145 -19.595 2.651 -4.451 1.00 0.67 H new ATOM 0 HD3 PRO A 145 -17.929 2.126 -4.582 1.00 0.67 H new ATOM 2246 N THR A 146 -20.718 -2.544 -4.564 1.00 0.77 N ATOM 2247 CA THR A 146 -21.966 -3.278 -4.680 1.00 0.90 C ATOM 2248 C THR A 146 -22.878 -3.059 -3.473 1.00 0.92 C ATOM 2249 O THR A 146 -22.806 -3.790 -2.483 1.00 1.05 O ATOM 2250 CB THR A 146 -21.712 -4.785 -4.861 1.00 1.14 C ATOM 2251 OG1 THR A 146 -20.602 -4.993 -5.747 1.00 1.71 O ATOM 2252 CG2 THR A 146 -22.946 -5.479 -5.418 1.00 1.66 C ATOM 0 H THR A 146 -19.915 -3.106 -4.280 1.00 0.77 H new ATOM 0 HA THR A 146 -22.469 -2.889 -5.565 1.00 0.90 H new ATOM 0 HB THR A 146 -21.483 -5.212 -3.884 1.00 1.14 H new ATOM 0 HG1 THR A 146 -20.446 -5.954 -5.856 1.00 1.71 H new ATOM 0 HG21 THR A 146 -22.742 -6.543 -5.537 1.00 1.66 H new ATOM 0 HG22 THR A 146 -23.781 -5.344 -4.730 1.00 1.66 H new ATOM 0 HG23 THR A 146 -23.200 -5.048 -6.386 1.00 1.66 H new ATOM 2260 N PHE A 147 -23.728 -2.040 -3.560 1.00 0.95 N ATOM 2261 CA PHE A 147 -24.676 -1.732 -2.498 1.00 1.04 C ATOM 2262 C PHE A 147 -26.037 -1.392 -3.081 1.00 1.29 C ATOM 2263 O PHE A 147 -26.244 -0.314 -3.632 1.00 2.10 O ATOM 2264 CB PHE A 147 -24.148 -0.599 -1.618 1.00 1.24 C ATOM 2265 CG PHE A 147 -22.902 -1.000 -0.888 1.00 1.45 C ATOM 2266 CD1 PHE A 147 -21.654 -0.830 -1.463 1.00 1.49 C ATOM 2267 CD2 PHE A 147 -22.978 -1.511 0.389 1.00 1.97 C ATOM 2268 CE1 PHE A 147 -20.507 -1.161 -0.771 1.00 2.08 C ATOM 2269 CE2 PHE A 147 -21.841 -1.846 1.084 1.00 2.58 C ATOM 2270 CZ PHE A 147 -20.595 -1.813 0.416 1.00 2.64 C ATOM 0 H PHE A 147 -23.778 -1.411 -4.361 1.00 0.95 H new ATOM 0 HA PHE A 147 -24.794 -2.614 -1.869 1.00 1.04 H new ATOM 0 HB2 PHE A 147 -23.943 0.276 -2.235 1.00 1.24 H new ATOM 0 HB3 PHE A 147 -24.914 -0.309 -0.899 1.00 1.24 H new ATOM 0 HD1 PHE A 147 -21.577 -0.434 -2.465 1.00 1.49 H new ATOM 0 HD2 PHE A 147 -23.945 -1.650 0.850 1.00 1.97 H new ATOM 0 HE1 PHE A 147 -19.539 -0.901 -1.174 1.00 2.08 H new ATOM 0 HE2 PHE A 147 -21.898 -2.130 2.124 1.00 2.58 H new ATOM 0 HZ PHE A 147 -19.729 -2.298 0.843 1.00 2.64 H new ATOM 2280 N LYS A 148 -26.948 -2.349 -2.979 1.00 1.33 N ATOM 2281 CA LYS A 148 -28.285 -2.206 -3.532 1.00 1.75 C ATOM 2282 C LYS A 148 -29.110 -1.227 -2.702 1.00 1.97 C ATOM 2283 O LYS A 148 -29.326 -0.090 -3.108 1.00 2.44 O ATOM 2284 CB LYS A 148 -28.972 -3.574 -3.574 1.00 2.02 C ATOM 2285 CG LYS A 148 -30.296 -3.600 -4.332 1.00 2.73 C ATOM 2286 CD LYS A 148 -30.109 -3.800 -5.835 1.00 2.77 C ATOM 2287 CE LYS A 148 -29.513 -2.578 -6.519 1.00 3.02 C ATOM 2288 NZ LYS A 148 -29.420 -2.763 -7.991 1.00 3.72 N ATOM 0 H LYS A 148 -26.782 -3.241 -2.513 1.00 1.33 H new ATOM 0 HA LYS A 148 -28.206 -1.811 -4.545 1.00 1.75 H new ATOM 0 HB2 LYS A 148 -28.293 -4.293 -4.032 1.00 2.02 H new ATOM 0 HB3 LYS A 148 -29.148 -3.909 -2.552 1.00 2.02 H new ATOM 0 HG2 LYS A 148 -30.920 -4.402 -3.938 1.00 2.73 H new ATOM 0 HG3 LYS A 148 -30.829 -2.665 -4.157 1.00 2.73 H new ATOM 0 HD2 LYS A 148 -29.461 -4.659 -6.005 1.00 2.77 H new ATOM 0 HD3 LYS A 148 -31.072 -4.032 -6.289 1.00 2.77 H new ATOM 0 HE2 LYS A 148 -30.126 -1.703 -6.300 1.00 3.02 H new ATOM 0 HE3 LYS A 148 -28.521 -2.382 -6.113 1.00 3.02 H new ATOM 0 HZ1 LYS A 148 -29.010 -1.911 -8.423 1.00 3.72 H new ATOM 0 HZ2 LYS A 148 -28.815 -3.583 -8.200 1.00 3.72 H new ATOM 0 HZ3 LYS A 148 -30.370 -2.925 -8.381 1.00 3.72 H new ATOM 2302 N ASP A 149 -29.552 -1.673 -1.532 1.00 2.18 N ATOM 2303 CA ASP A 149 -30.348 -0.831 -0.642 1.00 2.45 C ATOM 2304 C ASP A 149 -29.595 -0.581 0.651 1.00 2.12 C ATOM 2305 O ASP A 149 -30.186 -0.285 1.688 1.00 2.33 O ATOM 2306 CB ASP A 149 -31.706 -1.473 -0.349 1.00 3.03 C ATOM 2307 CG ASP A 149 -32.602 -1.503 -1.568 1.00 3.79 C ATOM 2308 OD1 ASP A 149 -33.277 -0.489 -1.841 1.00 4.19 O ATOM 2309 OD2 ASP A 149 -32.628 -2.538 -2.268 1.00 4.28 O ATOM 0 H ASP A 149 -29.374 -2.612 -1.176 1.00 2.18 H new ATOM 0 HA ASP A 149 -30.524 0.122 -1.141 1.00 2.45 H new ATOM 0 HB2 ASP A 149 -31.554 -2.490 0.013 1.00 3.03 H new ATOM 0 HB3 ASP A 149 -32.201 -0.921 0.450 1.00 3.03 H new ATOM 2314 N PHE A 150 -28.280 -0.716 0.580 1.00 1.79 N ATOM 2315 CA PHE A 150 -27.422 -0.393 1.707 1.00 1.84 C ATOM 2316 C PHE A 150 -27.281 1.117 1.801 1.00 1.69 C ATOM 2317 O PHE A 150 -27.421 1.701 2.874 1.00 1.94 O ATOM 2318 CB PHE A 150 -26.041 -1.034 1.546 1.00 1.85 C ATOM 2319 CG PHE A 150 -26.046 -2.540 1.530 1.00 2.15 C ATOM 2320 CD1 PHE A 150 -26.602 -3.229 0.465 1.00 2.26 C ATOM 2321 CD2 PHE A 150 -25.519 -3.265 2.587 1.00 2.53 C ATOM 2322 CE1 PHE A 150 -26.627 -4.610 0.451 1.00 2.62 C ATOM 2323 CE2 PHE A 150 -25.544 -4.644 2.581 1.00 2.86 C ATOM 2324 CZ PHE A 150 -26.010 -5.319 1.490 1.00 2.86 C ATOM 0 H PHE A 150 -27.784 -1.047 -0.247 1.00 1.79 H new ATOM 0 HA PHE A 150 -27.872 -0.786 2.619 1.00 1.84 H new ATOM 0 HB2 PHE A 150 -25.595 -0.676 0.618 1.00 1.85 H new ATOM 0 HB3 PHE A 150 -25.400 -0.695 2.360 1.00 1.85 H new ATOM 0 HD1 PHE A 150 -27.021 -2.680 -0.365 1.00 2.26 H new ATOM 0 HD2 PHE A 150 -25.083 -2.743 3.426 1.00 2.53 H new ATOM 0 HE1 PHE A 150 -27.118 -5.138 -0.353 1.00 2.62 H new ATOM 0 HE2 PHE A 150 -25.193 -5.192 3.443 1.00 2.86 H new ATOM 0 HZ PHE A 150 -25.904 -6.392 1.428 1.00 2.86 H new ATOM 2334 N PHE A 151 -27.011 1.735 0.659 1.00 1.50 N ATOM 2335 CA PHE A 151 -26.907 3.186 0.578 1.00 1.73 C ATOM 2336 C PHE A 151 -27.706 3.685 -0.617 1.00 2.71 C ATOM 2337 O PHE A 151 -27.188 3.616 -1.745 1.00 3.26 O ATOM 2338 CB PHE A 151 -25.443 3.630 0.452 1.00 1.19 C ATOM 2339 CG PHE A 151 -24.536 2.984 1.455 1.00 1.74 C ATOM 2340 CD1 PHE A 151 -24.617 3.318 2.794 1.00 2.68 C ATOM 2341 CD2 PHE A 151 -23.610 2.033 1.058 1.00 2.13 C ATOM 2342 CE1 PHE A 151 -23.792 2.717 3.719 1.00 3.78 C ATOM 2343 CE2 PHE A 151 -22.780 1.431 1.981 1.00 3.18 C ATOM 2344 CZ PHE A 151 -22.873 1.772 3.313 1.00 3.96 C ATOM 2345 OXT PHE A 151 -28.861 4.117 -0.421 1.00 3.44 O ATOM 0 H PHE A 151 -26.860 1.252 -0.227 1.00 1.50 H new ATOM 0 HA PHE A 151 -27.311 3.614 1.496 1.00 1.73 H new ATOM 0 HB2 PHE A 151 -25.086 3.398 -0.552 1.00 1.19 H new ATOM 0 HB3 PHE A 151 -25.388 4.712 0.568 1.00 1.19 H new ATOM 0 HD1 PHE A 151 -25.334 4.058 3.118 1.00 2.68 H new ATOM 0 HD2 PHE A 151 -23.537 1.760 0.016 1.00 2.13 H new ATOM 0 HE1 PHE A 151 -23.865 2.986 4.762 1.00 3.78 H new ATOM 0 HE2 PHE A 151 -22.059 0.694 1.660 1.00 3.18 H new ATOM 0 HZ PHE A 151 -22.227 1.300 4.038 1.00 3.96 H new TER 2355 PHE A 151