USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 603 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 27 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 73 MET CE :methyl 159:sc= -0.175 (180deg=-0.714) USER MOD Set 2.1: A 71 ASN : amide:sc= 1.08 K(o=2,f=-0.033) USER MOD Set 2.2: A 72 ASN : amide:sc= 0.923 K(o=2,f=-1.6!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 122:sc= 0.3 USER MOD Single : A 13 SER OG : rot 180:sc= 0.0257 USER MOD Single : A 15 THR OG1 : rot 160:sc= 0.535 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.0363 K(o=0.036,f=-2.3!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.01 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -45:sc= 0.589 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 170:sc= 0.288 USER MOD Single : A 42 LYS NZ :NH3+ -123:sc= 0.0346 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 166:sc= 1.25 (180deg=0.914) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0025 USER MOD Single : A 62 SER OG : rot 180:sc= -0.77 USER MOD Single : A 63 MET CE :methyl -161:sc= -0.119 (180deg=-1.16) USER MOD Single : A 66 LYS NZ :NH3+ -170:sc= -0.0323 (180deg=-0.173) USER MOD Single : A 67 SER OG : rot 84:sc= 0.441 USER MOD Single : A 68 ASN : amide:sc= -0.0335 X(o=-0.034,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -11.419 -13.674 12.993 1.00 60.44 N ATOM 2 CA GLY A 2 -11.257 -14.356 11.718 1.00 13.33 C ATOM 3 C GLY A 2 -11.931 -13.625 10.587 1.00 22.24 C ATOM 4 O GLY A 2 -12.639 -14.226 9.785 1.00 23.53 O ATOM 0 HA2 GLY A 2 -10.195 -14.461 11.497 1.00 13.33 H new ATOM 0 HA3 GLY A 2 -11.668 -15.363 11.793 1.00 13.33 H new ATOM 8 N SER A 3 -11.728 -12.346 10.531 1.00 51.53 N ATOM 9 CA SER A 3 -12.372 -11.541 9.559 1.00 31.31 C ATOM 10 C SER A 3 -11.430 -11.198 8.434 1.00 10.13 C ATOM 11 O SER A 3 -10.636 -10.251 8.532 1.00 51.24 O ATOM 12 CB SER A 3 -12.935 -10.282 10.201 1.00 31.10 C ATOM 13 OG SER A 3 -13.830 -10.621 11.259 1.00 22.15 O ATOM 0 H SER A 3 -11.109 -11.836 11.162 1.00 51.53 H new ATOM 0 HA SER A 3 -13.201 -12.110 9.137 1.00 31.31 H new ATOM 0 HB2 SER A 3 -12.121 -9.668 10.587 1.00 31.10 H new ATOM 0 HB3 SER A 3 -13.456 -9.686 9.452 1.00 31.10 H new ATOM 0 HG SER A 3 -14.183 -9.801 11.664 1.00 22.15 H new ATOM 19 N GLU A 4 -11.469 -12.004 7.412 1.00 41.04 N ATOM 20 CA GLU A 4 -10.719 -11.782 6.215 1.00 62.23 C ATOM 21 C GLU A 4 -11.506 -12.060 4.983 1.00 73.13 C ATOM 22 O GLU A 4 -11.811 -13.203 4.654 1.00 54.52 O ATOM 23 CB GLU A 4 -9.361 -12.472 6.203 1.00 61.14 C ATOM 24 CG GLU A 4 -8.263 -11.598 6.771 1.00 31.10 C ATOM 25 CD GLU A 4 -8.073 -10.349 5.916 1.00 22.12 C ATOM 26 OE1 GLU A 4 -7.294 -10.413 4.930 1.00 33.35 O ATOM 27 OE2 GLU A 4 -8.713 -9.299 6.186 1.00 25.03 O ATOM 0 H GLU A 4 -12.036 -12.851 7.390 1.00 41.04 H new ATOM 0 HA GLU A 4 -10.502 -10.714 6.213 1.00 62.23 H new ATOM 0 HB2 GLU A 4 -9.421 -13.395 6.779 1.00 61.14 H new ATOM 0 HB3 GLU A 4 -9.107 -12.750 5.180 1.00 61.14 H new ATOM 0 HG2 GLU A 4 -8.511 -11.311 7.793 1.00 31.10 H new ATOM 0 HG3 GLU A 4 -7.330 -12.160 6.815 1.00 31.10 H new ATOM 34 N VAL A 5 -11.873 -10.995 4.345 1.00 32.42 N ATOM 35 CA VAL A 5 -12.550 -11.005 3.084 1.00 44.23 C ATOM 36 C VAL A 5 -11.869 -9.968 2.215 1.00 13.31 C ATOM 37 O VAL A 5 -11.020 -9.207 2.707 1.00 11.13 O ATOM 38 CB VAL A 5 -14.076 -10.666 3.213 1.00 32.20 C ATOM 39 CG1 VAL A 5 -14.810 -11.722 4.031 1.00 75.54 C ATOM 40 CG2 VAL A 5 -14.280 -9.288 3.833 1.00 74.34 C ATOM 0 H VAL A 5 -11.703 -10.055 4.702 1.00 32.42 H new ATOM 0 HA VAL A 5 -12.495 -12.005 2.655 1.00 44.23 H new ATOM 0 HB VAL A 5 -14.494 -10.660 2.206 1.00 32.20 H new ATOM 0 HG11 VAL A 5 -15.865 -11.458 4.102 1.00 75.54 H new ATOM 0 HG12 VAL A 5 -14.710 -12.693 3.545 1.00 75.54 H new ATOM 0 HG13 VAL A 5 -14.380 -11.771 5.031 1.00 75.54 H new ATOM 0 HG21 VAL A 5 -15.347 -9.078 3.911 1.00 74.34 H new ATOM 0 HG22 VAL A 5 -13.832 -9.266 4.827 1.00 74.34 H new ATOM 0 HG23 VAL A 5 -13.807 -8.533 3.205 1.00 74.34 H new ATOM 50 N SER A 6 -12.188 -9.936 0.968 1.00 54.33 N ATOM 51 CA SER A 6 -11.604 -8.975 0.085 1.00 20.52 C ATOM 52 C SER A 6 -12.564 -7.802 -0.108 1.00 73.20 C ATOM 53 O SER A 6 -13.721 -7.995 -0.503 1.00 54.53 O ATOM 54 CB SER A 6 -11.273 -9.640 -1.247 1.00 11.22 C ATOM 55 OG SER A 6 -10.406 -10.759 -1.046 1.00 72.52 O ATOM 0 H SER A 6 -12.856 -10.569 0.529 1.00 54.33 H new ATOM 0 HA SER A 6 -10.679 -8.591 0.516 1.00 20.52 H new ATOM 0 HB2 SER A 6 -12.191 -9.967 -1.735 1.00 11.22 H new ATOM 0 HB3 SER A 6 -10.798 -8.919 -1.912 1.00 11.22 H new ATOM 0 HG SER A 6 -10.204 -11.176 -1.910 1.00 72.52 H new ATOM 61 N ASP A 7 -12.107 -6.612 0.221 1.00 52.21 N ATOM 62 CA ASP A 7 -12.895 -5.398 0.039 1.00 14.11 C ATOM 63 C ASP A 7 -11.951 -4.226 -0.075 1.00 62.14 C ATOM 64 O ASP A 7 -10.877 -4.225 0.546 1.00 22.20 O ATOM 65 CB ASP A 7 -13.894 -5.170 1.207 1.00 71.22 C ATOM 66 CG ASP A 7 -13.246 -4.799 2.536 1.00 62.41 C ATOM 67 OD1 ASP A 7 -12.654 -5.679 3.203 1.00 51.11 O ATOM 68 OD2 ASP A 7 -13.329 -3.621 2.940 1.00 52.35 O ATOM 0 H ASP A 7 -11.182 -6.453 0.621 1.00 52.21 H new ATOM 0 HA ASP A 7 -13.488 -5.501 -0.870 1.00 14.11 H new ATOM 0 HB2 ASP A 7 -14.589 -4.379 0.924 1.00 71.22 H new ATOM 0 HB3 ASP A 7 -14.483 -6.077 1.346 1.00 71.22 H new ATOM 73 N LYS A 8 -12.305 -3.254 -0.875 1.00 51.13 N ATOM 74 CA LYS A 8 -11.461 -2.099 -1.044 1.00 30.31 C ATOM 75 C LYS A 8 -11.817 -0.992 -0.115 1.00 53.14 C ATOM 76 O LYS A 8 -12.981 -0.829 0.251 1.00 32.04 O ATOM 77 CB LYS A 8 -11.391 -1.627 -2.467 1.00 60.32 C ATOM 78 CG LYS A 8 -10.629 -2.572 -3.365 1.00 33.13 C ATOM 79 CD LYS A 8 -10.484 -1.995 -4.740 1.00 13.42 C ATOM 80 CE LYS A 8 -11.820 -1.909 -5.465 1.00 60.35 C ATOM 81 NZ LYS A 8 -11.678 -1.353 -6.828 1.00 1.32 N ATOM 0 H LYS A 8 -13.168 -3.238 -1.418 1.00 51.13 H new ATOM 0 HA LYS A 8 -10.457 -2.430 -0.778 1.00 30.31 H new ATOM 0 HB2 LYS A 8 -12.403 -1.504 -2.853 1.00 60.32 H new ATOM 0 HB3 LYS A 8 -10.917 -0.646 -2.496 1.00 60.32 H new ATOM 0 HG2 LYS A 8 -9.644 -2.768 -2.942 1.00 33.13 H new ATOM 0 HG3 LYS A 8 -11.149 -3.528 -3.420 1.00 33.13 H new ATOM 0 HD2 LYS A 8 -10.044 -1.000 -4.671 1.00 13.42 H new ATOM 0 HD3 LYS A 8 -9.795 -2.609 -5.320 1.00 13.42 H new ATOM 0 HE2 LYS A 8 -12.265 -2.902 -5.524 1.00 60.35 H new ATOM 0 HE3 LYS A 8 -12.505 -1.286 -4.889 1.00 60.35 H new ATOM 0 HZ1 LYS A 8 -12.611 -1.312 -7.285 1.00 1.32 H new ATOM 0 HZ2 LYS A 8 -11.278 -0.395 -6.772 1.00 1.32 H new ATOM 0 HZ3 LYS A 8 -11.045 -1.961 -7.387 1.00 1.32 H new ATOM 95 N ARG A 9 -10.798 -0.205 0.224 1.00 23.40 N ATOM 96 CA ARG A 9 -10.869 0.823 1.276 1.00 62.44 C ATOM 97 C ARG A 9 -11.515 0.204 2.518 1.00 11.44 C ATOM 98 O ARG A 9 -12.689 0.418 2.808 1.00 34.30 O ATOM 99 CB ARG A 9 -11.619 2.094 0.830 1.00 64.50 C ATOM 100 CG ARG A 9 -11.576 3.237 1.848 1.00 75.44 C ATOM 101 CD ARG A 9 -12.421 4.410 1.391 1.00 5.21 C ATOM 102 NE ARG A 9 -13.831 4.022 1.247 1.00 20.13 N ATOM 103 CZ ARG A 9 -14.753 4.693 0.557 1.00 62.12 C ATOM 104 NH1 ARG A 9 -14.458 5.843 -0.006 1.00 64.32 N ATOM 105 NH2 ARG A 9 -15.979 4.214 0.463 1.00 14.43 N ATOM 0 H ARG A 9 -9.885 -0.259 -0.227 1.00 23.40 H new ATOM 0 HA ARG A 9 -9.855 1.151 1.503 1.00 62.44 H new ATOM 0 HB2 ARG A 9 -11.192 2.443 -0.110 1.00 64.50 H new ATOM 0 HB3 ARG A 9 -12.660 1.838 0.632 1.00 64.50 H new ATOM 0 HG2 ARG A 9 -11.935 2.881 2.814 1.00 75.44 H new ATOM 0 HG3 ARG A 9 -10.545 3.562 1.991 1.00 75.44 H new ATOM 0 HD2 ARG A 9 -12.336 5.225 2.110 1.00 5.21 H new ATOM 0 HD3 ARG A 9 -12.045 4.784 0.439 1.00 5.21 H new ATOM 0 HE ARG A 9 -14.130 3.166 1.715 1.00 20.13 H new ATOM 0 HH11 ARG A 9 -13.518 6.228 0.083 1.00 64.32 H new ATOM 0 HH12 ARG A 9 -15.169 6.350 -0.532 1.00 64.32 H new ATOM 0 HH21 ARG A 9 -16.219 3.333 0.918 1.00 14.43 H new ATOM 0 HH22 ARG A 9 -16.687 4.725 -0.064 1.00 14.43 H new ATOM 119 N THR A 10 -10.758 -0.621 3.193 1.00 43.00 N ATOM 120 CA THR A 10 -11.282 -1.401 4.290 1.00 34.24 C ATOM 121 C THR A 10 -10.995 -0.706 5.620 1.00 61.32 C ATOM 122 O THR A 10 -11.311 -1.199 6.702 1.00 43.15 O ATOM 123 CB THR A 10 -10.649 -2.815 4.249 1.00 44.33 C ATOM 124 OG1 THR A 10 -11.372 -3.717 5.075 1.00 33.31 O ATOM 125 CG2 THR A 10 -9.180 -2.795 4.678 1.00 5.53 C ATOM 0 H THR A 10 -9.768 -0.773 3.002 1.00 43.00 H new ATOM 0 HA THR A 10 -12.364 -1.494 4.195 1.00 34.24 H new ATOM 0 HB THR A 10 -10.699 -3.154 3.214 1.00 44.33 H new ATOM 0 HG1 THR A 10 -11.684 -4.474 4.537 1.00 33.31 H new ATOM 0 HG21 THR A 10 -8.775 -3.806 4.635 1.00 5.53 H new ATOM 0 HG22 THR A 10 -8.614 -2.148 4.008 1.00 5.53 H new ATOM 0 HG23 THR A 10 -9.104 -2.417 5.697 1.00 5.53 H new ATOM 133 N CYS A 11 -10.413 0.431 5.507 1.00 74.03 N ATOM 134 CA CYS A 11 -10.035 1.231 6.628 1.00 25.05 C ATOM 135 C CYS A 11 -10.469 2.652 6.390 1.00 0.23 C ATOM 136 O CYS A 11 -10.794 3.021 5.254 1.00 12.44 O ATOM 137 CB CYS A 11 -8.534 1.148 6.789 1.00 73.03 C ATOM 138 SG CYS A 11 -7.635 1.506 5.252 1.00 35.30 S ATOM 0 H CYS A 11 -10.176 0.849 4.607 1.00 74.03 H new ATOM 0 HA CYS A 11 -10.514 0.872 7.539 1.00 25.05 H new ATOM 0 HB2 CYS A 11 -8.217 1.850 7.561 1.00 73.03 H new ATOM 0 HB3 CYS A 11 -8.266 0.150 7.136 1.00 73.03 H new ATOM 143 N VAL A 12 -10.523 3.436 7.436 1.00 34.50 N ATOM 144 CA VAL A 12 -10.896 4.827 7.316 1.00 72.21 C ATOM 145 C VAL A 12 -9.700 5.710 7.661 1.00 23.24 C ATOM 146 O VAL A 12 -9.349 6.617 6.917 1.00 42.40 O ATOM 147 CB VAL A 12 -12.095 5.186 8.240 1.00 70.15 C ATOM 148 CG1 VAL A 12 -12.512 6.638 8.052 1.00 44.22 C ATOM 149 CG2 VAL A 12 -13.276 4.256 7.994 1.00 25.12 C ATOM 0 H VAL A 12 -10.312 3.135 8.387 1.00 34.50 H new ATOM 0 HA VAL A 12 -11.205 5.002 6.286 1.00 72.21 H new ATOM 0 HB VAL A 12 -11.768 5.054 9.271 1.00 70.15 H new ATOM 0 HG11 VAL A 12 -13.352 6.863 8.709 1.00 44.22 H new ATOM 0 HG12 VAL A 12 -11.675 7.292 8.296 1.00 44.22 H new ATOM 0 HG13 VAL A 12 -12.809 6.800 7.016 1.00 44.22 H new ATOM 0 HG21 VAL A 12 -14.099 4.531 8.654 1.00 25.12 H new ATOM 0 HG22 VAL A 12 -13.598 4.343 6.956 1.00 25.12 H new ATOM 0 HG23 VAL A 12 -12.977 3.227 8.196 1.00 25.12 H new ATOM 159 N SER A 13 -9.074 5.424 8.782 1.00 23.34 N ATOM 160 CA SER A 13 -7.936 6.179 9.228 1.00 62.44 C ATOM 161 C SER A 13 -6.642 5.680 8.600 1.00 32.34 C ATOM 162 O SER A 13 -6.395 4.459 8.504 1.00 12.31 O ATOM 163 CB SER A 13 -7.871 6.156 10.740 1.00 51.13 C ATOM 164 OG SER A 13 -8.037 4.831 11.238 1.00 21.20 O ATOM 0 H SER A 13 -9.343 4.662 9.405 1.00 23.34 H new ATOM 0 HA SER A 13 -8.056 7.212 8.900 1.00 62.44 H new ATOM 0 HB2 SER A 13 -6.913 6.556 11.073 1.00 51.13 H new ATOM 0 HB3 SER A 13 -8.646 6.803 11.151 1.00 51.13 H new ATOM 0 HG SER A 13 -7.990 4.841 12.217 1.00 21.20 H new ATOM 170 N LEU A 14 -5.823 6.606 8.178 1.00 72.44 N ATOM 171 CA LEU A 14 -4.589 6.296 7.512 1.00 41.22 C ATOM 172 C LEU A 14 -3.429 6.660 8.397 1.00 13.43 C ATOM 173 O LEU A 14 -3.507 7.617 9.177 1.00 42.32 O ATOM 174 CB LEU A 14 -4.518 7.071 6.211 1.00 10.40 C ATOM 175 CG LEU A 14 -5.701 6.854 5.282 1.00 54.12 C ATOM 176 CD1 LEU A 14 -5.571 7.687 4.034 1.00 44.52 C ATOM 177 CD2 LEU A 14 -5.845 5.386 4.938 1.00 40.34 C ATOM 0 H LEU A 14 -5.996 7.605 8.288 1.00 72.44 H new ATOM 0 HA LEU A 14 -4.544 5.228 7.298 1.00 41.22 H new ATOM 0 HB2 LEU A 14 -4.442 8.134 6.440 1.00 10.40 H new ATOM 0 HB3 LEU A 14 -3.604 6.792 5.686 1.00 10.40 H new ATOM 0 HG LEU A 14 -6.603 7.174 5.803 1.00 54.12 H new ATOM 0 HD11 LEU A 14 -6.431 7.511 3.388 1.00 44.52 H new ATOM 0 HD12 LEU A 14 -5.529 8.742 4.304 1.00 44.52 H new ATOM 0 HD13 LEU A 14 -4.658 7.411 3.506 1.00 44.52 H new ATOM 0 HD21 LEU A 14 -6.697 5.250 4.272 1.00 40.34 H new ATOM 0 HD22 LEU A 14 -4.939 5.038 4.443 1.00 40.34 H new ATOM 0 HD23 LEU A 14 -6.003 4.812 5.851 1.00 40.34 H new ATOM 189 N THR A 15 -2.378 5.909 8.308 1.00 51.20 N ATOM 190 CA THR A 15 -1.227 6.166 9.118 1.00 73.21 C ATOM 191 C THR A 15 -0.285 7.139 8.425 1.00 61.22 C ATOM 192 O THR A 15 -0.280 7.276 7.182 1.00 61.22 O ATOM 193 CB THR A 15 -0.430 4.863 9.488 1.00 40.31 C ATOM 194 OG1 THR A 15 0.484 5.160 10.544 1.00 61.45 O ATOM 195 CG2 THR A 15 0.392 4.350 8.305 1.00 65.40 C ATOM 0 H THR A 15 -2.291 5.109 7.681 1.00 51.20 H new ATOM 0 HA THR A 15 -1.606 6.600 10.043 1.00 73.21 H new ATOM 0 HB THR A 15 -1.156 4.104 9.780 1.00 40.31 H new ATOM 0 HG1 THR A 15 0.745 4.330 10.994 1.00 61.45 H new ATOM 0 HG21 THR A 15 0.929 3.448 8.599 1.00 65.40 H new ATOM 0 HG22 THR A 15 -0.273 4.121 7.472 1.00 65.40 H new ATOM 0 HG23 THR A 15 1.106 5.114 8.000 1.00 65.40 H new ATOM 203 N THR A 16 0.477 7.819 9.223 1.00 75.14 N ATOM 204 CA THR A 16 1.531 8.645 8.754 1.00 62.23 C ATOM 205 C THR A 16 2.836 8.124 9.340 1.00 20.44 C ATOM 206 O THR A 16 3.914 8.658 9.092 1.00 20.05 O ATOM 207 CB THR A 16 1.306 10.142 9.093 1.00 73.31 C ATOM 208 OG1 THR A 16 1.011 10.316 10.494 1.00 11.23 O ATOM 209 CG2 THR A 16 0.178 10.725 8.250 1.00 61.21 C ATOM 0 H THR A 16 0.377 7.811 10.238 1.00 75.14 H new ATOM 0 HA THR A 16 1.567 8.598 7.666 1.00 62.23 H new ATOM 0 HB THR A 16 2.229 10.675 8.863 1.00 73.31 H new ATOM 0 HG1 THR A 16 0.875 11.268 10.684 1.00 11.23 H new ATOM 0 HG21 THR A 16 0.039 11.775 8.505 1.00 61.21 H new ATOM 0 HG22 THR A 16 0.431 10.639 7.193 1.00 61.21 H new ATOM 0 HG23 THR A 16 -0.744 10.178 8.448 1.00 61.21 H new ATOM 217 N GLN A 17 2.709 7.041 10.103 1.00 53.25 N ATOM 218 CA GLN A 17 3.824 6.381 10.711 1.00 35.13 C ATOM 219 C GLN A 17 4.404 5.526 9.612 1.00 13.22 C ATOM 220 O GLN A 17 3.666 4.985 8.790 1.00 11.14 O ATOM 221 CB GLN A 17 3.319 5.541 11.899 1.00 25.00 C ATOM 222 CG GLN A 17 4.332 5.132 12.982 1.00 25.03 C ATOM 223 CD GLN A 17 5.461 4.251 12.519 1.00 24.22 C ATOM 224 OE1 GLN A 17 6.530 4.739 12.127 1.00 74.41 O ATOM 225 NE2 GLN A 17 5.247 2.970 12.557 1.00 42.41 N ATOM 0 H GLN A 17 1.811 6.604 10.309 1.00 53.25 H new ATOM 0 HA GLN A 17 4.578 7.060 11.110 1.00 35.13 H new ATOM 0 HB2 GLN A 17 2.519 6.099 12.385 1.00 25.00 H new ATOM 0 HB3 GLN A 17 2.874 4.630 11.498 1.00 25.00 H new ATOM 0 HG2 GLN A 17 4.756 6.037 13.417 1.00 25.03 H new ATOM 0 HG3 GLN A 17 3.796 4.616 13.779 1.00 25.03 H new ATOM 0 HE21 GLN A 17 4.351 2.612 12.887 1.00 42.41 H new ATOM 0 HE22 GLN A 17 5.975 2.322 12.256 1.00 42.41 H new ATOM 234 N ARG A 18 5.668 5.411 9.576 1.00 50.25 N ATOM 235 CA ARG A 18 6.285 4.812 8.435 1.00 3.54 C ATOM 236 C ARG A 18 6.642 3.360 8.620 1.00 1.52 C ATOM 237 O ARG A 18 6.867 2.873 9.734 1.00 24.25 O ATOM 238 CB ARG A 18 7.508 5.580 8.013 1.00 14.14 C ATOM 239 CG ARG A 18 7.255 7.041 7.793 1.00 71.32 C ATOM 240 CD ARG A 18 8.413 7.691 7.093 1.00 11.51 C ATOM 241 NE ARG A 18 9.681 7.533 7.814 1.00 14.24 N ATOM 242 CZ ARG A 18 10.570 8.514 8.014 1.00 64.12 C ATOM 243 NH1 ARG A 18 10.290 9.758 7.630 1.00 12.13 N ATOM 244 NH2 ARG A 18 11.723 8.250 8.614 1.00 70.44 N ATOM 0 H ARG A 18 6.306 5.717 10.311 1.00 50.25 H new ATOM 0 HA ARG A 18 5.529 4.854 7.651 1.00 3.54 H new ATOM 0 HB2 ARG A 18 8.280 5.464 8.774 1.00 14.14 H new ATOM 0 HB3 ARG A 18 7.900 5.145 7.093 1.00 14.14 H new ATOM 0 HG2 ARG A 18 6.349 7.171 7.201 1.00 71.32 H new ATOM 0 HG3 ARG A 18 7.083 7.532 8.751 1.00 71.32 H new ATOM 0 HD2 ARG A 18 8.513 7.264 6.095 1.00 11.51 H new ATOM 0 HD3 ARG A 18 8.204 8.753 6.966 1.00 11.51 H new ATOM 0 HE ARG A 18 9.901 6.610 8.189 1.00 14.24 H new ATOM 0 HH11 ARG A 18 9.397 9.965 7.183 1.00 12.13 H new ATOM 0 HH12 ARG A 18 10.969 10.504 7.783 1.00 12.13 H new ATOM 0 HH21 ARG A 18 11.932 7.300 8.923 1.00 70.44 H new ATOM 0 HH22 ARG A 18 12.401 8.997 8.767 1.00 70.44 H new ATOM 258 N LEU A 19 6.676 2.687 7.515 1.00 34.23 N ATOM 259 CA LEU A 19 7.093 1.323 7.415 1.00 10.15 C ATOM 260 C LEU A 19 8.298 1.310 6.495 1.00 34.34 C ATOM 261 O LEU A 19 8.464 2.248 5.698 1.00 73.33 O ATOM 262 CB LEU A 19 5.974 0.429 6.802 1.00 63.31 C ATOM 263 CG LEU A 19 4.712 0.122 7.648 1.00 24.30 C ATOM 264 CD1 LEU A 19 3.908 1.368 8.004 1.00 10.53 C ATOM 265 CD2 LEU A 19 3.839 -0.876 6.918 1.00 52.31 C ATOM 0 H LEU A 19 6.402 3.089 6.618 1.00 34.23 H new ATOM 0 HA LEU A 19 7.322 0.928 8.405 1.00 10.15 H new ATOM 0 HB2 LEU A 19 5.644 0.902 5.877 1.00 63.31 H new ATOM 0 HB3 LEU A 19 6.427 -0.524 6.528 1.00 63.31 H new ATOM 0 HG LEU A 19 5.056 -0.301 8.592 1.00 24.30 H new ATOM 0 HD11 LEU A 19 3.038 1.083 8.596 1.00 10.53 H new ATOM 0 HD12 LEU A 19 4.532 2.051 8.581 1.00 10.53 H new ATOM 0 HD13 LEU A 19 3.578 1.862 7.090 1.00 10.53 H new ATOM 0 HD21 LEU A 19 2.953 -1.090 7.515 1.00 52.31 H new ATOM 0 HD22 LEU A 19 3.537 -0.460 5.957 1.00 52.31 H new ATOM 0 HD23 LEU A 19 4.398 -1.798 6.755 1.00 52.31 H new ATOM 277 N PRO A 20 9.179 0.313 6.592 1.00 2.23 N ATOM 278 CA PRO A 20 10.290 0.203 5.677 1.00 34.41 C ATOM 279 C PRO A 20 9.762 -0.116 4.293 1.00 1.51 C ATOM 280 O PRO A 20 8.931 -1.023 4.129 1.00 1.22 O ATOM 281 CB PRO A 20 11.123 -0.968 6.205 1.00 35.02 C ATOM 282 CG PRO A 20 10.555 -1.315 7.536 1.00 64.23 C ATOM 283 CD PRO A 20 9.161 -0.762 7.583 1.00 13.10 C ATOM 0 HA PRO A 20 10.875 1.120 5.610 1.00 34.41 H new ATOM 0 HB2 PRO A 20 11.072 -1.819 5.526 1.00 35.02 H new ATOM 0 HB3 PRO A 20 12.174 -0.691 6.290 1.00 35.02 H new ATOM 0 HG2 PRO A 20 10.545 -2.395 7.680 1.00 64.23 H new ATOM 0 HG3 PRO A 20 11.163 -0.892 8.336 1.00 64.23 H new ATOM 0 HD2 PRO A 20 8.420 -1.522 7.335 1.00 13.10 H new ATOM 0 HD3 PRO A 20 8.913 -0.387 8.576 1.00 13.10 H new ATOM 291 N CYS A 21 10.236 0.606 3.305 1.00 74.21 N ATOM 292 CA CYS A 21 9.771 0.454 1.942 1.00 15.42 C ATOM 293 C CYS A 21 10.165 -0.923 1.411 1.00 10.43 C ATOM 294 O CYS A 21 9.549 -1.458 0.488 1.00 73.12 O ATOM 295 CB CYS A 21 10.356 1.554 1.058 1.00 12.33 C ATOM 296 SG CYS A 21 9.439 1.828 -0.478 1.00 2.45 S ATOM 0 H CYS A 21 10.957 1.318 3.422 1.00 74.21 H new ATOM 0 HA CYS A 21 8.685 0.540 1.925 1.00 15.42 H new ATOM 0 HB2 CYS A 21 10.383 2.485 1.624 1.00 12.33 H new ATOM 0 HB3 CYS A 21 11.387 1.300 0.813 1.00 12.33 H new ATOM 301 N SER A 22 11.179 -1.502 2.032 1.00 13.13 N ATOM 302 CA SER A 22 11.644 -2.825 1.704 1.00 71.23 C ATOM 303 C SER A 22 10.631 -3.902 2.163 1.00 41.13 C ATOM 304 O SER A 22 10.747 -5.075 1.803 1.00 62.21 O ATOM 305 CB SER A 22 12.992 -3.054 2.380 1.00 33.13 C ATOM 306 OG SER A 22 13.907 -2.016 2.047 1.00 5.23 O ATOM 0 H SER A 22 11.703 -1.056 2.785 1.00 13.13 H new ATOM 0 HA SER A 22 11.748 -2.906 0.622 1.00 71.23 H new ATOM 0 HB2 SER A 22 12.859 -3.095 3.461 1.00 33.13 H new ATOM 0 HB3 SER A 22 13.400 -4.017 2.072 1.00 33.13 H new ATOM 0 HG SER A 22 14.765 -2.181 2.492 1.00 5.23 H new ATOM 312 N ARG A 23 9.642 -3.508 2.974 1.00 41.13 N ATOM 313 CA ARG A 23 8.659 -4.466 3.443 1.00 41.24 C ATOM 314 C ARG A 23 7.327 -4.300 2.720 1.00 31.12 C ATOM 315 O ARG A 23 6.378 -5.045 2.984 1.00 25.42 O ATOM 316 CB ARG A 23 8.460 -4.411 4.960 1.00 22.02 C ATOM 317 CG ARG A 23 9.738 -4.595 5.761 1.00 20.03 C ATOM 318 CD ARG A 23 9.445 -4.794 7.235 1.00 24.12 C ATOM 319 NE ARG A 23 8.815 -6.093 7.480 1.00 73.23 N ATOM 320 CZ ARG A 23 8.123 -6.431 8.567 1.00 30.33 C ATOM 321 NH1 ARG A 23 7.816 -5.516 9.481 1.00 15.53 N ATOM 322 NH2 ARG A 23 7.724 -7.690 8.721 1.00 24.20 N ATOM 0 H ARG A 23 9.510 -2.553 3.308 1.00 41.13 H new ATOM 0 HA ARG A 23 9.058 -5.452 3.206 1.00 41.24 H new ATOM 0 HB2 ARG A 23 8.014 -3.451 5.223 1.00 22.02 H new ATOM 0 HB3 ARG A 23 7.748 -5.183 5.250 1.00 22.02 H new ATOM 0 HG2 ARG A 23 10.288 -5.455 5.379 1.00 20.03 H new ATOM 0 HG3 ARG A 23 10.379 -3.723 5.631 1.00 20.03 H new ATOM 0 HD2 ARG A 23 10.371 -4.723 7.805 1.00 24.12 H new ATOM 0 HD3 ARG A 23 8.791 -3.997 7.589 1.00 24.12 H new ATOM 0 HE ARG A 23 8.915 -6.802 6.754 1.00 73.23 H new ATOM 0 HH11 ARG A 23 8.111 -4.548 9.352 1.00 15.53 H new ATOM 0 HH12 ARG A 23 7.286 -5.782 10.311 1.00 15.53 H new ATOM 0 HH21 ARG A 23 7.948 -8.387 8.011 1.00 24.20 H new ATOM 0 HH22 ARG A 23 7.194 -7.959 9.550 1.00 24.20 H new ATOM 336 N ILE A 24 7.261 -3.321 1.810 1.00 63.12 N ATOM 337 CA ILE A 24 6.065 -3.103 0.991 1.00 53.24 C ATOM 338 C ILE A 24 5.887 -4.295 0.049 1.00 14.51 C ATOM 339 O ILE A 24 6.849 -4.743 -0.579 1.00 71.21 O ATOM 340 CB ILE A 24 6.177 -1.803 0.118 1.00 33.24 C ATOM 341 CG1 ILE A 24 6.275 -0.520 0.984 1.00 24.24 C ATOM 342 CG2 ILE A 24 4.993 -1.715 -0.841 1.00 42.23 C ATOM 343 CD1 ILE A 24 4.996 -0.110 1.688 1.00 20.14 C ATOM 0 H ILE A 24 8.022 -2.668 1.623 1.00 63.12 H new ATOM 0 HA ILE A 24 5.216 -2.993 1.666 1.00 53.24 H new ATOM 0 HB ILE A 24 7.102 -1.870 -0.455 1.00 33.24 H new ATOM 0 HG12 ILE A 24 7.051 -0.667 1.735 1.00 24.24 H new ATOM 0 HG13 ILE A 24 6.599 0.303 0.348 1.00 24.24 H new ATOM 0 HG21 ILE A 24 5.079 -0.810 -1.443 1.00 42.23 H new ATOM 0 HG22 ILE A 24 4.989 -2.587 -1.495 1.00 42.23 H new ATOM 0 HG23 ILE A 24 4.064 -1.685 -0.271 1.00 42.23 H new ATOM 0 HD11 ILE A 24 5.173 0.797 2.265 1.00 20.14 H new ATOM 0 HD12 ILE A 24 4.217 0.077 0.948 1.00 20.14 H new ATOM 0 HD13 ILE A 24 4.677 -0.909 2.357 1.00 20.14 H new ATOM 355 N LYS A 25 4.695 -4.825 -0.023 1.00 12.43 N ATOM 356 CA LYS A 25 4.429 -5.917 -0.917 1.00 61.13 C ATOM 357 C LYS A 25 3.598 -5.397 -2.081 1.00 3.00 C ATOM 358 O LYS A 25 3.966 -5.569 -3.237 1.00 14.22 O ATOM 359 CB LYS A 25 3.708 -7.037 -0.152 1.00 32.50 C ATOM 360 CG LYS A 25 3.584 -8.415 -0.851 1.00 55.25 C ATOM 361 CD LYS A 25 2.658 -8.413 -2.062 1.00 70.20 C ATOM 362 CE LYS A 25 2.564 -9.793 -2.689 1.00 73.11 C ATOM 363 NZ LYS A 25 1.629 -9.823 -3.833 1.00 54.21 N ATOM 0 H LYS A 25 3.893 -4.517 0.527 1.00 12.43 H new ATOM 0 HA LYS A 25 5.355 -6.333 -1.314 1.00 61.13 H new ATOM 0 HB2 LYS A 25 4.227 -7.186 0.795 1.00 32.50 H new ATOM 0 HB3 LYS A 25 2.703 -6.689 0.086 1.00 32.50 H new ATOM 0 HG2 LYS A 25 4.575 -8.743 -1.165 1.00 55.25 H new ATOM 0 HG3 LYS A 25 3.220 -9.146 -0.129 1.00 55.25 H new ATOM 0 HD2 LYS A 25 1.665 -8.079 -1.762 1.00 70.20 H new ATOM 0 HD3 LYS A 25 3.024 -7.700 -2.801 1.00 70.20 H new ATOM 0 HE2 LYS A 25 3.553 -10.107 -3.022 1.00 73.11 H new ATOM 0 HE3 LYS A 25 2.238 -10.511 -1.936 1.00 73.11 H new ATOM 0 HZ1 LYS A 25 1.596 -10.784 -4.230 1.00 54.21 H new ATOM 0 HZ2 LYS A 25 0.679 -9.549 -3.512 1.00 54.21 H new ATOM 0 HZ3 LYS A 25 1.953 -9.158 -4.564 1.00 54.21 H new ATOM 377 N THR A 26 2.495 -4.748 -1.776 1.00 32.04 N ATOM 378 CA THR A 26 1.621 -4.235 -2.798 1.00 63.30 C ATOM 379 C THR A 26 0.746 -3.138 -2.205 1.00 0.52 C ATOM 380 O THR A 26 0.683 -2.995 -0.976 1.00 25.14 O ATOM 381 CB THR A 26 0.736 -5.369 -3.398 1.00 33.30 C ATOM 382 OG1 THR A 26 -0.003 -4.887 -4.518 1.00 72.03 O ATOM 383 CG2 THR A 26 -0.238 -5.926 -2.365 1.00 13.33 C ATOM 0 H THR A 26 2.185 -4.565 -0.822 1.00 32.04 H new ATOM 0 HA THR A 26 2.226 -3.823 -3.606 1.00 63.30 H new ATOM 0 HB THR A 26 1.408 -6.167 -3.713 1.00 33.30 H new ATOM 0 HG1 THR A 26 -0.552 -5.612 -4.884 1.00 72.03 H new ATOM 0 HG21 THR A 26 -0.838 -6.714 -2.819 1.00 13.33 H new ATOM 0 HG22 THR A 26 0.320 -6.334 -1.522 1.00 13.33 H new ATOM 0 HG23 THR A 26 -0.892 -5.128 -2.015 1.00 13.33 H new ATOM 391 N TYR A 27 0.099 -2.362 -3.050 1.00 4.54 N ATOM 392 CA TYR A 27 -0.768 -1.310 -2.586 1.00 21.23 C ATOM 393 C TYR A 27 -2.056 -1.258 -3.423 1.00 30.35 C ATOM 394 O TYR A 27 -2.139 -1.849 -4.522 1.00 43.45 O ATOM 395 CB TYR A 27 -0.066 0.074 -2.647 1.00 34.43 C ATOM 396 CG TYR A 27 0.167 0.599 -4.043 1.00 21.45 C ATOM 397 CD1 TYR A 27 -0.825 1.322 -4.682 1.00 52.32 C ATOM 398 CD2 TYR A 27 1.353 0.380 -4.720 1.00 23.32 C ATOM 399 CE1 TYR A 27 -0.662 1.807 -5.940 1.00 1.02 C ATOM 400 CE2 TYR A 27 1.534 0.875 -6.001 1.00 0.10 C ATOM 401 CZ TYR A 27 0.515 1.589 -6.605 1.00 50.54 C ATOM 402 OH TYR A 27 0.680 2.079 -7.886 1.00 72.34 O ATOM 0 H TYR A 27 0.161 -2.444 -4.065 1.00 4.54 H new ATOM 0 HA TYR A 27 -1.015 -1.533 -1.548 1.00 21.23 H new ATOM 0 HB2 TYR A 27 -0.668 0.797 -2.097 1.00 34.43 H new ATOM 0 HB3 TYR A 27 0.893 0.003 -2.135 1.00 34.43 H new ATOM 0 HD1 TYR A 27 -1.755 1.506 -4.165 1.00 52.32 H new ATOM 0 HD2 TYR A 27 2.144 -0.182 -4.246 1.00 23.32 H new ATOM 0 HE1 TYR A 27 -1.458 2.363 -6.414 1.00 1.02 H new ATOM 0 HE2 TYR A 27 2.463 0.705 -6.524 1.00 0.10 H new ATOM 0 HH TYR A 27 0.151 2.897 -7.994 1.00 72.34 H new ATOM 412 N THR A 28 -3.029 -0.580 -2.897 1.00 54.52 N ATOM 413 CA THR A 28 -4.259 -0.282 -3.574 1.00 23.41 C ATOM 414 C THR A 28 -4.673 1.142 -3.229 1.00 14.34 C ATOM 415 O THR A 28 -4.764 1.500 -2.049 1.00 12.33 O ATOM 416 CB THR A 28 -5.403 -1.311 -3.259 1.00 62.11 C ATOM 417 OG1 THR A 28 -6.636 -0.921 -3.881 1.00 32.30 O ATOM 418 CG2 THR A 28 -5.613 -1.511 -1.767 1.00 72.45 C ATOM 0 H THR A 28 -2.989 -0.204 -1.950 1.00 54.52 H new ATOM 0 HA THR A 28 -4.088 -0.369 -4.647 1.00 23.41 H new ATOM 0 HB THR A 28 -5.080 -2.265 -3.676 1.00 62.11 H new ATOM 0 HG1 THR A 28 -7.331 -1.579 -3.671 1.00 32.30 H new ATOM 0 HG21 THR A 28 -6.415 -2.232 -1.606 1.00 72.45 H new ATOM 0 HG22 THR A 28 -4.693 -1.885 -1.317 1.00 72.45 H new ATOM 0 HG23 THR A 28 -5.882 -0.560 -1.307 1.00 72.45 H new ATOM 426 N ILE A 29 -4.855 1.962 -4.229 1.00 4.23 N ATOM 427 CA ILE A 29 -5.279 3.325 -4.004 1.00 3.34 C ATOM 428 C ILE A 29 -6.765 3.426 -4.246 1.00 25.45 C ATOM 429 O ILE A 29 -7.268 2.991 -5.288 1.00 53.05 O ATOM 430 CB ILE A 29 -4.530 4.348 -4.908 1.00 62.41 C ATOM 431 CG1 ILE A 29 -3.018 4.285 -4.650 1.00 32.41 C ATOM 432 CG2 ILE A 29 -5.055 5.771 -4.668 1.00 23.33 C ATOM 433 CD1 ILE A 29 -2.217 5.259 -5.476 1.00 10.22 C ATOM 0 H ILE A 29 -4.717 1.714 -5.209 1.00 4.23 H new ATOM 0 HA ILE A 29 -5.037 3.578 -2.972 1.00 3.34 H new ATOM 0 HB ILE A 29 -4.716 4.085 -5.949 1.00 62.41 H new ATOM 0 HG12 ILE A 29 -2.831 4.479 -3.594 1.00 32.41 H new ATOM 0 HG13 ILE A 29 -2.666 3.274 -4.855 1.00 32.41 H new ATOM 0 HG21 ILE A 29 -4.518 6.470 -5.310 1.00 23.33 H new ATOM 0 HG22 ILE A 29 -6.119 5.810 -4.900 1.00 23.33 H new ATOM 0 HG23 ILE A 29 -4.901 6.045 -3.624 1.00 23.33 H new ATOM 0 HD11 ILE A 29 -1.159 5.154 -5.237 1.00 10.22 H new ATOM 0 HD12 ILE A 29 -2.372 5.052 -6.535 1.00 10.22 H new ATOM 0 HD13 ILE A 29 -2.540 6.276 -5.254 1.00 10.22 H new ATOM 445 N THR A 30 -7.460 3.963 -3.297 1.00 52.23 N ATOM 446 CA THR A 30 -8.870 4.109 -3.398 1.00 2.40 C ATOM 447 C THR A 30 -9.264 5.565 -3.389 1.00 22.14 C ATOM 448 O THR A 30 -8.725 6.359 -2.608 1.00 1.24 O ATOM 449 CB THR A 30 -9.594 3.354 -2.263 1.00 35.21 C ATOM 450 OG1 THR A 30 -9.015 3.704 -0.986 1.00 40.51 O ATOM 451 CG2 THR A 30 -9.519 1.846 -2.469 1.00 74.21 C ATOM 0 H THR A 30 -7.061 4.314 -2.426 1.00 52.23 H new ATOM 0 HA THR A 30 -9.176 3.672 -4.348 1.00 2.40 H new ATOM 0 HB THR A 30 -10.643 3.649 -2.278 1.00 35.21 H new ATOM 0 HG1 THR A 30 -8.038 3.687 -1.054 1.00 40.51 H new ATOM 0 HG21 THR A 30 -10.038 1.341 -1.654 1.00 74.21 H new ATOM 0 HG22 THR A 30 -9.990 1.584 -3.416 1.00 74.21 H new ATOM 0 HG23 THR A 30 -8.475 1.532 -2.484 1.00 74.21 H new ATOM 459 N GLU A 31 -10.163 5.919 -4.268 1.00 1.13 N ATOM 460 CA GLU A 31 -10.680 7.247 -4.318 1.00 11.41 C ATOM 461 C GLU A 31 -12.191 7.209 -4.364 1.00 11.13 C ATOM 462 O GLU A 31 -12.796 6.260 -4.887 1.00 50.41 O ATOM 463 CB GLU A 31 -10.111 8.048 -5.488 1.00 63.42 C ATOM 464 CG GLU A 31 -10.350 7.428 -6.839 1.00 53.22 C ATOM 465 CD GLU A 31 -9.905 8.316 -7.957 1.00 41.32 C ATOM 466 OE1 GLU A 31 -8.722 8.244 -8.357 1.00 61.04 O ATOM 467 OE2 GLU A 31 -10.740 9.095 -8.464 1.00 71.43 O ATOM 0 H GLU A 31 -10.554 5.288 -4.968 1.00 1.13 H new ATOM 0 HA GLU A 31 -10.365 7.762 -3.411 1.00 11.41 H new ATOM 0 HB2 GLU A 31 -10.549 9.046 -5.477 1.00 63.42 H new ATOM 0 HB3 GLU A 31 -9.038 8.169 -5.342 1.00 63.42 H new ATOM 0 HG2 GLU A 31 -9.819 6.478 -6.899 1.00 53.22 H new ATOM 0 HG3 GLU A 31 -11.412 7.208 -6.953 1.00 53.22 H new ATOM 474 N GLY A 32 -12.771 8.220 -3.811 1.00 4.44 N ATOM 475 CA GLY A 32 -14.202 8.336 -3.706 1.00 74.24 C ATOM 476 C GLY A 32 -14.542 8.610 -2.282 1.00 54.21 C ATOM 477 O GLY A 32 -15.277 7.846 -1.652 1.00 22.14 O ATOM 0 H GLY A 32 -12.263 9.008 -3.409 1.00 4.44 H new ATOM 0 HA2 GLY A 32 -14.566 9.140 -4.346 1.00 74.24 H new ATOM 0 HA3 GLY A 32 -14.684 7.418 -4.042 1.00 74.24 H new ATOM 481 N SER A 33 -13.993 9.730 -1.789 1.00 3.14 N ATOM 482 CA SER A 33 -13.990 10.113 -0.379 1.00 61.41 C ATOM 483 C SER A 33 -12.974 9.257 0.372 1.00 4.42 C ATOM 484 O SER A 33 -12.997 8.040 0.275 1.00 22.25 O ATOM 485 CB SER A 33 -15.385 10.062 0.267 1.00 12.43 C ATOM 486 OG SER A 33 -16.276 10.974 -0.378 1.00 13.33 O ATOM 0 H SER A 33 -13.525 10.413 -2.385 1.00 3.14 H new ATOM 0 HA SER A 33 -13.693 11.160 -0.314 1.00 61.41 H new ATOM 0 HB2 SER A 33 -15.784 9.050 0.202 1.00 12.43 H new ATOM 0 HB3 SER A 33 -15.310 10.308 1.326 1.00 12.43 H new ATOM 0 HG SER A 33 -17.158 10.925 0.046 1.00 13.33 H new ATOM 492 N LEU A 34 -12.070 9.912 1.086 1.00 54.42 N ATOM 493 CA LEU A 34 -10.979 9.243 1.792 1.00 13.02 C ATOM 494 C LEU A 34 -10.075 8.492 0.825 1.00 42.14 C ATOM 495 O LEU A 34 -10.269 7.305 0.568 1.00 63.43 O ATOM 496 CB LEU A 34 -11.450 8.306 2.951 1.00 23.51 C ATOM 497 CG LEU A 34 -12.027 8.953 4.235 1.00 72.33 C ATOM 498 CD1 LEU A 34 -10.996 9.838 4.915 1.00 65.43 C ATOM 499 CD2 LEU A 34 -13.313 9.728 3.962 1.00 22.21 C ATOM 0 H LEU A 34 -12.070 10.926 1.194 1.00 54.42 H new ATOM 0 HA LEU A 34 -10.408 10.042 2.266 1.00 13.02 H new ATOM 0 HB2 LEU A 34 -12.209 7.635 2.548 1.00 23.51 H new ATOM 0 HB3 LEU A 34 -10.601 7.688 3.244 1.00 23.51 H new ATOM 0 HG LEU A 34 -12.279 8.138 4.914 1.00 72.33 H new ATOM 0 HD11 LEU A 34 -11.430 10.278 5.813 1.00 65.43 H new ATOM 0 HD12 LEU A 34 -10.126 9.240 5.188 1.00 65.43 H new ATOM 0 HD13 LEU A 34 -10.691 10.632 4.233 1.00 65.43 H new ATOM 0 HD21 LEU A 34 -13.680 10.163 4.892 1.00 22.21 H new ATOM 0 HD22 LEU A 34 -13.113 10.523 3.243 1.00 22.21 H new ATOM 0 HD23 LEU A 34 -14.066 9.052 3.556 1.00 22.21 H new ATOM 511 N ARG A 35 -9.130 9.206 0.241 1.00 70.52 N ATOM 512 CA ARG A 35 -8.163 8.577 -0.631 1.00 1.42 C ATOM 513 C ARG A 35 -7.223 7.798 0.211 1.00 30.24 C ATOM 514 O ARG A 35 -6.443 8.375 0.964 1.00 43.43 O ATOM 515 CB ARG A 35 -7.375 9.582 -1.496 1.00 55.31 C ATOM 516 CG ARG A 35 -8.130 10.221 -2.664 1.00 11.53 C ATOM 517 CD ARG A 35 -9.357 11.007 -2.235 1.00 51.34 C ATOM 518 NE ARG A 35 -9.058 12.090 -1.289 1.00 23.43 N ATOM 519 CZ ARG A 35 -9.970 12.962 -0.830 1.00 71.34 C ATOM 520 NH1 ARG A 35 -11.223 12.919 -1.285 1.00 31.42 N ATOM 521 NH2 ARG A 35 -9.626 13.881 0.063 1.00 31.14 N ATOM 0 H ARG A 35 -9.014 10.213 0.355 1.00 70.52 H new ATOM 0 HA ARG A 35 -8.706 7.937 -1.327 1.00 1.42 H new ATOM 0 HB2 ARG A 35 -7.013 10.380 -0.847 1.00 55.31 H new ATOM 0 HB3 ARG A 35 -6.498 9.073 -1.895 1.00 55.31 H new ATOM 0 HG2 ARG A 35 -7.454 10.884 -3.204 1.00 11.53 H new ATOM 0 HG3 ARG A 35 -8.434 9.440 -3.361 1.00 11.53 H new ATOM 0 HD2 ARG A 35 -9.836 11.429 -3.119 1.00 51.34 H new ATOM 0 HD3 ARG A 35 -10.075 10.325 -1.779 1.00 51.34 H new ATOM 0 HE ARG A 35 -8.097 12.186 -0.960 1.00 23.43 H new ATOM 0 HH11 ARG A 35 -11.489 12.223 -1.982 1.00 31.42 H new ATOM 0 HH12 ARG A 35 -11.915 13.582 -0.936 1.00 31.42 H new ATOM 0 HH21 ARG A 35 -8.666 13.927 0.403 1.00 31.14 H new ATOM 0 HH22 ARG A 35 -10.322 14.542 0.409 1.00 31.14 H new ATOM 535 N ALA A 36 -7.307 6.523 0.122 1.00 11.34 N ATOM 536 CA ALA A 36 -6.499 5.684 0.929 1.00 13.43 C ATOM 537 C ALA A 36 -5.707 4.745 0.097 1.00 44.11 C ATOM 538 O ALA A 36 -6.250 4.074 -0.788 1.00 10.20 O ATOM 539 CB ALA A 36 -7.356 4.912 1.894 1.00 22.45 C ATOM 0 H ALA A 36 -7.937 6.030 -0.511 1.00 11.34 H new ATOM 0 HA ALA A 36 -5.808 6.316 1.486 1.00 13.43 H new ATOM 0 HB1 ALA A 36 -6.724 4.271 2.509 1.00 22.45 H new ATOM 0 HB2 ALA A 36 -7.900 5.607 2.534 1.00 22.45 H new ATOM 0 HB3 ALA A 36 -8.066 4.298 1.340 1.00 22.45 H new ATOM 545 N VAL A 37 -4.436 4.710 0.342 1.00 3.23 N ATOM 546 CA VAL A 37 -3.600 3.759 -0.263 1.00 60.31 C ATOM 547 C VAL A 37 -3.258 2.698 0.782 1.00 74.41 C ATOM 548 O VAL A 37 -2.631 2.976 1.817 1.00 72.44 O ATOM 549 CB VAL A 37 -2.338 4.395 -0.903 1.00 5.41 C ATOM 550 CG1 VAL A 37 -1.553 5.211 0.090 1.00 31.54 C ATOM 551 CG2 VAL A 37 -1.472 3.330 -1.537 1.00 50.12 C ATOM 0 H VAL A 37 -3.958 5.352 0.975 1.00 3.23 H new ATOM 0 HA VAL A 37 -4.124 3.292 -1.097 1.00 60.31 H new ATOM 0 HB VAL A 37 -2.673 5.079 -1.683 1.00 5.41 H new ATOM 0 HG11 VAL A 37 -0.678 5.638 -0.400 1.00 31.54 H new ATOM 0 HG12 VAL A 37 -2.180 6.014 0.477 1.00 31.54 H new ATOM 0 HG13 VAL A 37 -1.232 4.572 0.913 1.00 31.54 H new ATOM 0 HG21 VAL A 37 -0.591 3.794 -1.981 1.00 50.12 H new ATOM 0 HG22 VAL A 37 -1.160 2.614 -0.776 1.00 50.12 H new ATOM 0 HG23 VAL A 37 -2.039 2.813 -2.311 1.00 50.12 H new ATOM 561 N ILE A 38 -3.718 1.521 0.542 1.00 73.02 N ATOM 562 CA ILE A 38 -3.526 0.440 1.461 1.00 5.24 C ATOM 563 C ILE A 38 -2.327 -0.365 1.037 1.00 42.22 C ATOM 564 O ILE A 38 -2.255 -0.818 -0.101 1.00 42.12 O ATOM 565 CB ILE A 38 -4.785 -0.468 1.527 1.00 50.15 C ATOM 566 CG1 ILE A 38 -6.008 0.356 1.953 1.00 34.05 C ATOM 567 CG2 ILE A 38 -4.569 -1.653 2.474 1.00 2.24 C ATOM 568 CD1 ILE A 38 -7.293 -0.438 2.018 1.00 10.10 C ATOM 0 H ILE A 38 -4.241 1.273 -0.298 1.00 73.02 H new ATOM 0 HA ILE A 38 -3.359 0.852 2.456 1.00 5.24 H new ATOM 0 HB ILE A 38 -4.965 -0.874 0.532 1.00 50.15 H new ATOM 0 HG12 ILE A 38 -5.814 0.795 2.932 1.00 34.05 H new ATOM 0 HG13 ILE A 38 -6.138 1.182 1.254 1.00 34.05 H new ATOM 0 HG21 ILE A 38 -5.468 -2.269 2.498 1.00 2.24 H new ATOM 0 HG22 ILE A 38 -3.729 -2.251 2.122 1.00 2.24 H new ATOM 0 HG23 ILE A 38 -4.356 -1.283 3.477 1.00 2.24 H new ATOM 0 HD11 ILE A 38 -8.109 0.215 2.326 1.00 10.10 H new ATOM 0 HD12 ILE A 38 -7.513 -0.855 1.035 1.00 10.10 H new ATOM 0 HD13 ILE A 38 -7.184 -1.248 2.740 1.00 10.10 H new ATOM 580 N PHE A 39 -1.398 -0.513 1.933 1.00 40.25 N ATOM 581 CA PHE A 39 -0.209 -1.259 1.684 1.00 12.43 C ATOM 582 C PHE A 39 -0.247 -2.546 2.399 1.00 71.41 C ATOM 583 O PHE A 39 -0.524 -2.606 3.599 1.00 40.30 O ATOM 584 CB PHE A 39 1.048 -0.497 2.081 1.00 61.32 C ATOM 585 CG PHE A 39 1.353 0.647 1.195 1.00 53.31 C ATOM 586 CD1 PHE A 39 2.052 0.439 0.026 1.00 40.54 C ATOM 587 CD2 PHE A 39 0.954 1.916 1.516 1.00 55.24 C ATOM 588 CE1 PHE A 39 2.347 1.475 -0.811 1.00 10.54 C ATOM 589 CE2 PHE A 39 1.245 2.963 0.682 1.00 53.14 C ATOM 590 CZ PHE A 39 1.944 2.736 -0.489 1.00 42.42 C ATOM 0 H PHE A 39 -1.449 -0.112 2.869 1.00 40.25 H new ATOM 0 HA PHE A 39 -0.169 -1.434 0.609 1.00 12.43 H new ATOM 0 HB2 PHE A 39 0.935 -0.134 3.103 1.00 61.32 H new ATOM 0 HB3 PHE A 39 1.895 -1.183 2.078 1.00 61.32 H new ATOM 0 HD1 PHE A 39 2.371 -0.560 -0.232 1.00 40.54 H new ATOM 0 HD2 PHE A 39 0.407 2.093 2.431 1.00 55.24 H new ATOM 0 HE1 PHE A 39 2.897 1.297 -1.723 1.00 10.54 H new ATOM 0 HE2 PHE A 39 0.929 3.963 0.939 1.00 53.14 H new ATOM 0 HZ PHE A 39 2.171 3.560 -1.150 1.00 42.42 H new ATOM 600 N ILE A 40 0.002 -3.570 1.689 1.00 53.50 N ATOM 601 CA ILE A 40 0.075 -4.843 2.275 1.00 23.45 C ATOM 602 C ILE A 40 1.544 -5.118 2.448 1.00 44.33 C ATOM 603 O ILE A 40 2.335 -4.838 1.529 1.00 14.42 O ATOM 604 CB ILE A 40 -0.554 -5.935 1.376 1.00 52.40 C ATOM 605 CG1 ILE A 40 -1.915 -5.469 0.814 1.00 74.14 C ATOM 606 CG2 ILE A 40 -0.745 -7.207 2.191 1.00 55.01 C ATOM 607 CD1 ILE A 40 -2.960 -5.137 1.865 1.00 60.10 C ATOM 0 H ILE A 40 0.162 -3.550 0.682 1.00 53.50 H new ATOM 0 HA ILE A 40 -0.476 -4.863 3.215 1.00 23.45 H new ATOM 0 HB ILE A 40 0.115 -6.127 0.537 1.00 52.40 H new ATOM 0 HG12 ILE A 40 -1.753 -4.588 0.193 1.00 74.14 H new ATOM 0 HG13 ILE A 40 -2.310 -6.250 0.164 1.00 74.14 H new ATOM 0 HG21 ILE A 40 -1.188 -7.979 1.562 1.00 55.01 H new ATOM 0 HG22 ILE A 40 0.221 -7.550 2.561 1.00 55.01 H new ATOM 0 HG23 ILE A 40 -1.405 -7.003 3.034 1.00 55.01 H new ATOM 0 HD11 ILE A 40 -3.881 -4.820 1.375 1.00 60.10 H new ATOM 0 HD12 ILE A 40 -3.158 -6.020 2.473 1.00 60.10 H new ATOM 0 HD13 ILE A 40 -2.592 -4.333 2.502 1.00 60.10 H new ATOM 619 N THR A 41 1.929 -5.590 3.591 1.00 4.40 N ATOM 620 CA THR A 41 3.311 -5.861 3.843 1.00 40.42 C ATOM 621 C THR A 41 3.687 -7.218 3.290 1.00 14.03 C ATOM 622 O THR A 41 2.812 -8.031 2.971 1.00 35.34 O ATOM 623 CB THR A 41 3.625 -5.813 5.352 1.00 61.23 C ATOM 624 OG1 THR A 41 2.811 -6.770 6.056 1.00 10.31 O ATOM 625 CG2 THR A 41 3.368 -4.422 5.907 1.00 24.03 C ATOM 0 H THR A 41 1.303 -5.797 4.369 1.00 4.40 H new ATOM 0 HA THR A 41 3.897 -5.089 3.344 1.00 40.42 H new ATOM 0 HB THR A 41 4.678 -6.060 5.492 1.00 61.23 H new ATOM 0 HG1 THR A 41 3.126 -6.850 6.981 1.00 10.31 H new ATOM 0 HG21 THR A 41 3.595 -4.408 6.973 1.00 24.03 H new ATOM 0 HG22 THR A 41 4.003 -3.701 5.391 1.00 24.03 H new ATOM 0 HG23 THR A 41 2.321 -4.157 5.756 1.00 24.03 H new ATOM 633 N LYS A 42 4.978 -7.473 3.187 1.00 31.31 N ATOM 634 CA LYS A 42 5.489 -8.740 2.710 1.00 63.14 C ATOM 635 C LYS A 42 5.129 -9.870 3.699 1.00 35.52 C ATOM 636 O LYS A 42 5.198 -11.055 3.374 1.00 53.22 O ATOM 637 CB LYS A 42 6.996 -8.616 2.515 1.00 42.31 C ATOM 638 CG LYS A 42 7.645 -9.805 1.832 1.00 15.45 C ATOM 639 CD LYS A 42 9.135 -9.581 1.624 1.00 11.24 C ATOM 640 CE LYS A 42 9.411 -8.359 0.738 1.00 71.11 C ATOM 641 NZ LYS A 42 10.857 -8.113 0.557 1.00 14.32 N ATOM 0 H LYS A 42 5.704 -6.801 3.434 1.00 31.31 H new ATOM 0 HA LYS A 42 5.032 -8.996 1.754 1.00 63.14 H new ATOM 0 HB2 LYS A 42 7.201 -7.721 1.928 1.00 42.31 H new ATOM 0 HB3 LYS A 42 7.464 -8.473 3.489 1.00 42.31 H new ATOM 0 HG2 LYS A 42 7.491 -10.701 2.434 1.00 15.45 H new ATOM 0 HG3 LYS A 42 7.164 -9.981 0.870 1.00 15.45 H new ATOM 0 HD2 LYS A 42 9.620 -9.446 2.591 1.00 11.24 H new ATOM 0 HD3 LYS A 42 9.575 -10.467 1.167 1.00 11.24 H new ATOM 0 HE2 LYS A 42 8.945 -8.507 -0.236 1.00 71.11 H new ATOM 0 HE3 LYS A 42 8.948 -7.478 1.183 1.00 71.11 H new ATOM 0 HZ1 LYS A 42 11.088 -7.150 0.874 1.00 14.32 H new ATOM 0 HZ2 LYS A 42 11.399 -8.801 1.118 1.00 14.32 H new ATOM 0 HZ3 LYS A 42 11.103 -8.215 -0.448 1.00 14.32 H new ATOM 655 N ARG A 43 4.711 -9.477 4.900 1.00 61.14 N ATOM 656 CA ARG A 43 4.262 -10.413 5.917 1.00 71.31 C ATOM 657 C ARG A 43 2.795 -10.800 5.661 1.00 32.51 C ATOM 658 O ARG A 43 2.299 -11.791 6.189 1.00 43.33 O ATOM 659 CB ARG A 43 4.419 -9.797 7.320 1.00 11.04 C ATOM 660 CG ARG A 43 3.988 -10.712 8.465 1.00 2.24 C ATOM 661 CD ARG A 43 4.218 -10.068 9.811 1.00 23.04 C ATOM 662 NE ARG A 43 3.781 -10.924 10.921 1.00 70.14 N ATOM 663 CZ ARG A 43 4.325 -10.931 12.145 1.00 74.24 C ATOM 664 NH1 ARG A 43 5.412 -10.203 12.403 1.00 72.42 N ATOM 665 NH2 ARG A 43 3.796 -11.692 13.089 1.00 72.15 N ATOM 0 H ARG A 43 4.676 -8.500 5.191 1.00 61.14 H new ATOM 0 HA ARG A 43 4.877 -11.311 5.866 1.00 71.31 H new ATOM 0 HB2 ARG A 43 5.463 -9.520 7.467 1.00 11.04 H new ATOM 0 HB3 ARG A 43 3.835 -8.878 7.367 1.00 11.04 H new ATOM 0 HG2 ARG A 43 2.932 -10.959 8.356 1.00 2.24 H new ATOM 0 HG3 ARG A 43 4.542 -11.649 8.410 1.00 2.24 H new ATOM 0 HD2 ARG A 43 5.278 -9.841 9.926 1.00 23.04 H new ATOM 0 HD3 ARG A 43 3.682 -9.120 9.854 1.00 23.04 H new ATOM 0 HE ARG A 43 3.004 -11.562 10.747 1.00 70.14 H new ATOM 0 HH11 ARG A 43 5.833 -9.637 11.666 1.00 72.42 H new ATOM 0 HH12 ARG A 43 5.822 -10.212 13.337 1.00 72.42 H new ATOM 0 HH21 ARG A 43 2.980 -12.268 12.882 1.00 72.15 H new ATOM 0 HH22 ARG A 43 4.204 -11.703 14.024 1.00 72.15 H new ATOM 679 N GLY A 44 2.123 -10.019 4.837 1.00 61.52 N ATOM 680 CA GLY A 44 0.742 -10.294 4.531 1.00 73.44 C ATOM 681 C GLY A 44 -0.207 -9.514 5.406 1.00 25.23 C ATOM 682 O GLY A 44 -1.374 -9.882 5.543 1.00 24.11 O ATOM 0 H GLY A 44 2.511 -9.197 4.374 1.00 61.52 H new ATOM 0 HA2 GLY A 44 0.549 -10.053 3.486 1.00 73.44 H new ATOM 0 HA3 GLY A 44 0.551 -11.360 4.653 1.00 73.44 H new ATOM 686 N LEU A 45 0.282 -8.450 6.007 1.00 42.20 N ATOM 687 CA LEU A 45 -0.550 -7.639 6.866 1.00 63.31 C ATOM 688 C LEU A 45 -1.059 -6.452 6.131 1.00 63.53 C ATOM 689 O LEU A 45 -0.389 -5.910 5.252 1.00 54.55 O ATOM 690 CB LEU A 45 0.187 -7.203 8.113 1.00 5.11 C ATOM 691 CG LEU A 45 0.683 -8.321 9.001 1.00 11.22 C ATOM 692 CD1 LEU A 45 1.371 -7.751 10.205 1.00 31.34 C ATOM 693 CD2 LEU A 45 -0.460 -9.231 9.423 1.00 63.54 C ATOM 0 H LEU A 45 1.246 -8.129 5.917 1.00 42.20 H new ATOM 0 HA LEU A 45 -1.394 -8.255 7.176 1.00 63.31 H new ATOM 0 HB2 LEU A 45 1.040 -6.594 7.815 1.00 5.11 H new ATOM 0 HB3 LEU A 45 -0.473 -6.563 8.699 1.00 5.11 H new ATOM 0 HG LEU A 45 1.396 -8.920 8.435 1.00 11.22 H new ATOM 0 HD11 LEU A 45 1.726 -8.563 10.840 1.00 31.34 H new ATOM 0 HD12 LEU A 45 2.218 -7.143 9.886 1.00 31.34 H new ATOM 0 HD13 LEU A 45 0.670 -7.132 10.765 1.00 31.34 H new ATOM 0 HD21 LEU A 45 -0.075 -10.027 10.061 1.00 63.54 H new ATOM 0 HD22 LEU A 45 -1.202 -8.652 9.973 1.00 63.54 H new ATOM 0 HD23 LEU A 45 -0.923 -9.668 8.538 1.00 63.54 H new ATOM 705 N LYS A 46 -2.222 -6.055 6.494 1.00 70.23 N ATOM 706 CA LYS A 46 -2.916 -4.984 5.842 1.00 14.34 C ATOM 707 C LYS A 46 -2.746 -3.707 6.624 1.00 74.14 C ATOM 708 O LYS A 46 -3.157 -3.613 7.789 1.00 43.34 O ATOM 709 CB LYS A 46 -4.377 -5.391 5.721 1.00 64.13 C ATOM 710 CG LYS A 46 -4.513 -6.667 4.905 1.00 60.43 C ATOM 711 CD LYS A 46 -5.865 -7.338 5.013 1.00 54.14 C ATOM 712 CE LYS A 46 -7.013 -6.450 4.570 1.00 15.51 C ATOM 713 NZ LYS A 46 -8.272 -7.223 4.447 1.00 10.41 N ATOM 0 H LYS A 46 -2.739 -6.469 7.270 1.00 70.23 H new ATOM 0 HA LYS A 46 -2.512 -4.798 4.847 1.00 14.34 H new ATOM 0 HB2 LYS A 46 -4.801 -5.541 6.714 1.00 64.13 H new ATOM 0 HB3 LYS A 46 -4.945 -4.589 5.249 1.00 64.13 H new ATOM 0 HG2 LYS A 46 -4.318 -6.436 3.858 1.00 60.43 H new ATOM 0 HG3 LYS A 46 -3.745 -7.371 5.224 1.00 60.43 H new ATOM 0 HD2 LYS A 46 -5.862 -8.245 4.408 1.00 54.14 H new ATOM 0 HD3 LYS A 46 -6.029 -7.644 6.046 1.00 54.14 H new ATOM 0 HE2 LYS A 46 -7.148 -5.641 5.288 1.00 15.51 H new ATOM 0 HE3 LYS A 46 -6.771 -5.989 3.612 1.00 15.51 H new ATOM 0 HZ1 LYS A 46 -9.076 -6.568 4.378 1.00 10.41 H new ATOM 0 HZ2 LYS A 46 -8.234 -7.815 3.593 1.00 10.41 H new ATOM 0 HZ3 LYS A 46 -8.390 -7.829 5.284 1.00 10.41 H new ATOM 727 N VAL A 47 -2.129 -2.746 6.001 1.00 42.51 N ATOM 728 CA VAL A 47 -1.847 -1.454 6.619 1.00 54.34 C ATOM 729 C VAL A 47 -2.355 -0.336 5.702 1.00 53.53 C ATOM 730 O VAL A 47 -2.358 -0.488 4.493 1.00 72.15 O ATOM 731 CB VAL A 47 -0.307 -1.277 6.871 1.00 44.34 C ATOM 732 CG1 VAL A 47 0.004 0.038 7.587 1.00 20.52 C ATOM 733 CG2 VAL A 47 0.259 -2.457 7.658 1.00 13.44 C ATOM 0 H VAL A 47 -1.798 -2.824 5.039 1.00 42.51 H new ATOM 0 HA VAL A 47 -2.356 -1.406 7.581 1.00 54.34 H new ATOM 0 HB VAL A 47 0.176 -1.247 5.894 1.00 44.34 H new ATOM 0 HG11 VAL A 47 1.080 0.122 7.742 1.00 20.52 H new ATOM 0 HG12 VAL A 47 -0.341 0.874 6.979 1.00 20.52 H new ATOM 0 HG13 VAL A 47 -0.504 0.057 8.551 1.00 20.52 H new ATOM 0 HG21 VAL A 47 1.327 -2.309 7.818 1.00 13.44 H new ATOM 0 HG22 VAL A 47 -0.246 -2.528 8.621 1.00 13.44 H new ATOM 0 HG23 VAL A 47 0.101 -3.378 7.097 1.00 13.44 H new ATOM 743 N CYS A 48 -2.770 0.774 6.260 1.00 50.30 N ATOM 744 CA CYS A 48 -3.297 1.851 5.452 1.00 3.32 C ATOM 745 C CYS A 48 -2.495 3.112 5.676 1.00 71.33 C ATOM 746 O CYS A 48 -2.323 3.560 6.809 1.00 73.15 O ATOM 747 CB CYS A 48 -4.749 2.094 5.811 1.00 63.00 C ATOM 748 SG CYS A 48 -5.829 0.660 5.552 1.00 24.14 S ATOM 0 H CYS A 48 -2.755 0.957 7.263 1.00 50.30 H new ATOM 0 HA CYS A 48 -3.227 1.573 4.400 1.00 3.32 H new ATOM 0 HB2 CYS A 48 -4.808 2.395 6.857 1.00 63.00 H new ATOM 0 HB3 CYS A 48 -5.123 2.929 5.218 1.00 63.00 H new ATOM 753 N ALA A 49 -2.028 3.695 4.601 1.00 5.13 N ATOM 754 CA ALA A 49 -1.160 4.841 4.668 1.00 53.15 C ATOM 755 C ALA A 49 -1.764 6.027 3.944 1.00 13.21 C ATOM 756 O ALA A 49 -2.570 5.858 3.018 1.00 65.12 O ATOM 757 CB ALA A 49 0.189 4.486 4.091 1.00 1.32 C ATOM 0 H ALA A 49 -2.240 3.387 3.652 1.00 5.13 H new ATOM 0 HA ALA A 49 -1.035 5.127 5.712 1.00 53.15 H new ATOM 0 HB1 ALA A 49 0.846 5.354 4.142 1.00 1.32 H new ATOM 0 HB2 ALA A 49 0.625 3.667 4.663 1.00 1.32 H new ATOM 0 HB3 ALA A 49 0.071 4.181 3.051 1.00 1.32 H new ATOM 763 N ASP A 50 -1.416 7.219 4.389 1.00 41.45 N ATOM 764 CA ASP A 50 -1.921 8.441 3.774 1.00 44.31 C ATOM 765 C ASP A 50 -1.146 8.729 2.490 1.00 53.43 C ATOM 766 O ASP A 50 0.080 8.811 2.517 1.00 33.13 O ATOM 767 CB ASP A 50 -1.759 9.632 4.718 1.00 52.54 C ATOM 768 CG ASP A 50 -2.510 10.854 4.227 1.00 73.03 C ATOM 769 OD1 ASP A 50 -2.165 11.398 3.169 1.00 4.11 O ATOM 770 OD2 ASP A 50 -3.462 11.287 4.912 1.00 20.22 O ATOM 0 H ASP A 50 -0.785 7.372 5.175 1.00 41.45 H new ATOM 0 HA ASP A 50 -2.979 8.298 3.555 1.00 44.31 H new ATOM 0 HB2 ASP A 50 -2.119 9.360 5.710 1.00 52.54 H new ATOM 0 HB3 ASP A 50 -0.701 9.873 4.819 1.00 52.54 H new ATOM 775 N PRO A 51 -1.843 8.884 1.352 1.00 61.43 N ATOM 776 CA PRO A 51 -1.212 9.162 0.050 1.00 3.34 C ATOM 777 C PRO A 51 -0.332 10.434 -0.006 1.00 55.03 C ATOM 778 O PRO A 51 0.512 10.555 -0.901 1.00 75.14 O ATOM 779 CB PRO A 51 -2.399 9.324 -0.903 1.00 31.43 C ATOM 780 CG PRO A 51 -3.512 8.599 -0.251 1.00 52.22 C ATOM 781 CD PRO A 51 -3.307 8.765 1.227 1.00 64.15 C ATOM 0 HA PRO A 51 -0.520 8.357 -0.195 1.00 3.34 H new ATOM 0 HB2 PRO A 51 -2.646 10.375 -1.052 1.00 31.43 H new ATOM 0 HB3 PRO A 51 -2.177 8.907 -1.885 1.00 31.43 H new ATOM 0 HG2 PRO A 51 -4.475 9.005 -0.559 1.00 52.22 H new ATOM 0 HG3 PRO A 51 -3.507 7.545 -0.529 1.00 52.22 H new ATOM 0 HD2 PRO A 51 -3.817 9.650 1.607 1.00 64.15 H new ATOM 0 HD3 PRO A 51 -3.691 7.911 1.785 1.00 64.15 H new ATOM 789 N GLN A 52 -0.495 11.382 0.925 1.00 71.10 N ATOM 790 CA GLN A 52 0.283 12.612 0.822 1.00 73.31 C ATOM 791 C GLN A 52 1.620 12.462 1.523 1.00 34.14 C ATOM 792 O GLN A 52 2.515 13.312 1.373 1.00 63.53 O ATOM 793 CB GLN A 52 -0.468 13.845 1.350 1.00 1.11 C ATOM 794 CG GLN A 52 -0.613 13.931 2.860 1.00 14.00 C ATOM 795 CD GLN A 52 -1.399 15.147 3.283 1.00 13.31 C ATOM 796 OE1 GLN A 52 -2.290 15.601 2.571 1.00 51.45 O ATOM 797 NE2 GLN A 52 -1.060 15.709 4.415 1.00 2.34 N ATOM 0 H GLN A 52 -1.129 11.324 1.722 1.00 71.10 H new ATOM 0 HA GLN A 52 0.453 12.782 -0.241 1.00 73.31 H new ATOM 0 HB2 GLN A 52 0.049 14.739 1.001 1.00 1.11 H new ATOM 0 HB3 GLN A 52 -1.464 13.859 0.906 1.00 1.11 H new ATOM 0 HG2 GLN A 52 -1.108 13.033 3.229 1.00 14.00 H new ATOM 0 HG3 GLN A 52 0.376 13.961 3.318 1.00 14.00 H new ATOM 0 HE21 GLN A 52 -0.315 15.305 4.982 1.00 2.34 H new ATOM 0 HE22 GLN A 52 -1.541 16.551 4.730 1.00 2.34 H new ATOM 806 N ALA A 53 1.768 11.378 2.259 1.00 3.33 N ATOM 807 CA ALA A 53 2.991 11.095 2.972 1.00 3.02 C ATOM 808 C ALA A 53 4.101 10.849 1.987 1.00 64.11 C ATOM 809 O ALA A 53 3.942 10.085 1.037 1.00 53.00 O ATOM 810 CB ALA A 53 2.813 9.916 3.908 1.00 34.54 C ATOM 0 H ALA A 53 1.042 10.671 2.377 1.00 3.33 H new ATOM 0 HA ALA A 53 3.253 11.957 3.586 1.00 3.02 H new ATOM 0 HB1 ALA A 53 3.749 9.724 4.433 1.00 34.54 H new ATOM 0 HB2 ALA A 53 2.030 10.141 4.632 1.00 34.54 H new ATOM 0 HB3 ALA A 53 2.532 9.034 3.333 1.00 34.54 H new ATOM 816 N THR A 54 5.209 11.502 2.213 1.00 60.04 N ATOM 817 CA THR A 54 6.347 11.463 1.329 1.00 24.44 C ATOM 818 C THR A 54 6.861 10.033 1.150 1.00 50.20 C ATOM 819 O THR A 54 7.231 9.627 0.037 1.00 15.35 O ATOM 820 CB THR A 54 7.455 12.361 1.896 1.00 41.24 C ATOM 821 OG1 THR A 54 6.898 13.659 2.166 1.00 63.55 O ATOM 822 CG2 THR A 54 8.611 12.502 0.911 1.00 13.12 C ATOM 0 H THR A 54 5.351 12.090 3.035 1.00 60.04 H new ATOM 0 HA THR A 54 6.043 11.828 0.348 1.00 24.44 H new ATOM 0 HB THR A 54 7.843 11.909 2.809 1.00 41.24 H new ATOM 0 HG1 THR A 54 7.594 14.244 2.531 1.00 63.55 H new ATOM 0 HG21 THR A 54 9.380 13.144 1.342 1.00 13.12 H new ATOM 0 HG22 THR A 54 9.034 11.519 0.703 1.00 13.12 H new ATOM 0 HG23 THR A 54 8.247 12.944 -0.016 1.00 13.12 H new ATOM 830 N TRP A 55 6.828 9.256 2.226 1.00 65.25 N ATOM 831 CA TRP A 55 7.322 7.890 2.156 1.00 12.20 C ATOM 832 C TRP A 55 6.388 7.045 1.301 1.00 3.21 C ATOM 833 O TRP A 55 6.814 6.117 0.608 1.00 73.44 O ATOM 834 CB TRP A 55 7.522 7.264 3.553 1.00 20.32 C ATOM 835 CG TRP A 55 6.272 6.930 4.314 1.00 55.10 C ATOM 836 CD1 TRP A 55 5.513 7.769 5.034 1.00 2.53 C ATOM 837 CD2 TRP A 55 5.673 5.638 4.442 1.00 72.13 C ATOM 838 NE1 TRP A 55 4.466 7.100 5.608 1.00 24.45 N ATOM 839 CE2 TRP A 55 4.538 5.789 5.256 1.00 5.43 C ATOM 840 CE3 TRP A 55 5.981 4.376 3.942 1.00 3.53 C ATOM 841 CZ2 TRP A 55 3.711 4.730 5.585 1.00 15.25 C ATOM 842 CZ3 TRP A 55 5.161 3.317 4.267 1.00 2.52 C ATOM 843 CH2 TRP A 55 4.036 3.501 5.083 1.00 61.31 C ATOM 0 H TRP A 55 6.472 9.542 3.138 1.00 65.25 H new ATOM 0 HA TRP A 55 8.306 7.915 1.688 1.00 12.20 H new ATOM 0 HB2 TRP A 55 8.108 6.352 3.439 1.00 20.32 H new ATOM 0 HB3 TRP A 55 8.116 7.952 4.155 1.00 20.32 H new ATOM 0 HD1 TRP A 55 5.702 8.827 5.146 1.00 2.53 H new ATOM 0 HE1 TRP A 55 3.749 7.517 6.202 1.00 24.45 H new ATOM 0 HE3 TRP A 55 6.846 4.230 3.312 1.00 3.53 H new ATOM 0 HZ2 TRP A 55 2.844 4.869 6.213 1.00 15.25 H new ATOM 0 HZ3 TRP A 55 5.388 2.332 3.888 1.00 2.52 H new ATOM 0 HH2 TRP A 55 3.412 2.652 5.320 1.00 61.31 H new ATOM 854 N VAL A 56 5.122 7.405 1.335 1.00 71.24 N ATOM 855 CA VAL A 56 4.110 6.738 0.570 1.00 74.22 C ATOM 856 C VAL A 56 4.259 7.076 -0.878 1.00 22.20 C ATOM 857 O VAL A 56 4.316 6.184 -1.708 1.00 61.11 O ATOM 858 CB VAL A 56 2.691 7.101 1.057 1.00 74.55 C ATOM 859 CG1 VAL A 56 1.640 6.518 0.146 1.00 71.02 C ATOM 860 CG2 VAL A 56 2.488 6.606 2.467 1.00 74.32 C ATOM 0 H VAL A 56 4.772 8.177 1.902 1.00 71.24 H new ATOM 0 HA VAL A 56 4.241 5.665 0.709 1.00 74.22 H new ATOM 0 HB VAL A 56 2.591 8.186 1.039 1.00 74.55 H new ATOM 0 HG11 VAL A 56 0.650 6.789 0.512 1.00 71.02 H new ATOM 0 HG12 VAL A 56 1.774 6.911 -0.862 1.00 71.02 H new ATOM 0 HG13 VAL A 56 1.736 5.432 0.128 1.00 71.02 H new ATOM 0 HG21 VAL A 56 1.484 6.866 2.803 1.00 74.32 H new ATOM 0 HG22 VAL A 56 2.610 5.523 2.494 1.00 74.32 H new ATOM 0 HG23 VAL A 56 3.223 7.070 3.125 1.00 74.32 H new ATOM 870 N ARG A 57 4.369 8.374 -1.174 1.00 63.13 N ATOM 871 CA ARG A 57 4.507 8.859 -2.554 1.00 24.53 C ATOM 872 C ARG A 57 5.675 8.160 -3.233 1.00 60.03 C ATOM 873 O ARG A 57 5.618 7.825 -4.408 1.00 72.52 O ATOM 874 CB ARG A 57 4.751 10.373 -2.597 1.00 51.13 C ATOM 875 CG ARG A 57 3.710 11.225 -1.891 1.00 33.43 C ATOM 876 CD ARG A 57 4.036 12.703 -2.055 1.00 10.44 C ATOM 877 NE ARG A 57 3.161 13.580 -1.271 1.00 51.24 N ATOM 878 CZ ARG A 57 2.636 14.741 -1.696 1.00 43.25 C ATOM 879 NH1 ARG A 57 2.731 15.098 -2.972 1.00 33.53 N ATOM 880 NH2 ARG A 57 1.987 15.527 -0.840 1.00 71.55 N ATOM 0 H ARG A 57 4.365 9.114 -0.472 1.00 63.13 H new ATOM 0 HA ARG A 57 3.575 8.638 -3.074 1.00 24.53 H new ATOM 0 HB2 ARG A 57 5.725 10.579 -2.153 1.00 51.13 H new ATOM 0 HB3 ARG A 57 4.804 10.685 -3.640 1.00 51.13 H new ATOM 0 HG2 ARG A 57 2.721 11.016 -2.300 1.00 33.43 H new ATOM 0 HG3 ARG A 57 3.678 10.968 -0.832 1.00 33.43 H new ATOM 0 HD2 ARG A 57 5.071 12.875 -1.759 1.00 10.44 H new ATOM 0 HD3 ARG A 57 3.957 12.971 -3.109 1.00 10.44 H new ATOM 0 HE ARG A 57 2.931 13.283 -0.322 1.00 51.24 H new ATOM 0 HH11 ARG A 57 3.206 14.489 -3.638 1.00 33.53 H new ATOM 0 HH12 ARG A 57 2.329 15.982 -3.286 1.00 33.53 H new ATOM 0 HH21 ARG A 57 1.889 15.247 0.136 1.00 71.55 H new ATOM 0 HH22 ARG A 57 1.587 16.409 -1.160 1.00 71.55 H new ATOM 894 N ASP A 58 6.727 7.938 -2.475 1.00 43.43 N ATOM 895 CA ASP A 58 7.905 7.247 -2.978 1.00 41.20 C ATOM 896 C ASP A 58 7.669 5.741 -3.181 1.00 21.40 C ATOM 897 O ASP A 58 7.999 5.202 -4.224 1.00 61.41 O ATOM 898 CB ASP A 58 9.118 7.509 -2.075 1.00 63.13 C ATOM 899 CG ASP A 58 10.341 6.677 -2.432 1.00 63.21 C ATOM 900 OD1 ASP A 58 10.918 6.862 -3.534 1.00 53.01 O ATOM 901 OD2 ASP A 58 10.745 5.828 -1.602 1.00 35.24 O ATOM 0 H ASP A 58 6.795 8.227 -1.499 1.00 43.43 H new ATOM 0 HA ASP A 58 8.117 7.658 -3.965 1.00 41.20 H new ATOM 0 HB2 ASP A 58 9.380 8.566 -2.132 1.00 63.13 H new ATOM 0 HB3 ASP A 58 8.840 7.304 -1.041 1.00 63.13 H new ATOM 906 N CYS A 59 7.052 5.073 -2.220 1.00 61.24 N ATOM 907 CA CYS A 59 6.877 3.616 -2.332 1.00 55.44 C ATOM 908 C CYS A 59 5.739 3.219 -3.228 1.00 31.13 C ATOM 909 O CYS A 59 5.815 2.195 -3.928 1.00 45.21 O ATOM 910 CB CYS A 59 6.685 2.981 -1.009 1.00 52.22 C ATOM 911 SG CYS A 59 8.072 3.210 0.116 1.00 32.04 S ATOM 0 H CYS A 59 6.670 5.492 -1.372 1.00 61.24 H new ATOM 0 HA CYS A 59 7.803 3.259 -2.782 1.00 55.44 H new ATOM 0 HB2 CYS A 59 5.785 3.388 -0.548 1.00 52.22 H new ATOM 0 HB3 CYS A 59 6.516 1.913 -1.150 1.00 52.22 H new ATOM 916 N VAL A 60 4.692 4.013 -3.231 1.00 63.10 N ATOM 917 CA VAL A 60 3.537 3.749 -4.053 1.00 31.12 C ATOM 918 C VAL A 60 3.977 3.875 -5.522 1.00 14.43 C ATOM 919 O VAL A 60 3.415 3.276 -6.417 1.00 53.52 O ATOM 920 CB VAL A 60 2.349 4.723 -3.714 1.00 32.03 C ATOM 921 CG1 VAL A 60 2.520 6.089 -4.320 1.00 74.30 C ATOM 922 CG2 VAL A 60 1.016 4.144 -4.077 1.00 33.53 C ATOM 0 H VAL A 60 4.619 4.858 -2.664 1.00 63.10 H new ATOM 0 HA VAL A 60 3.160 2.744 -3.861 1.00 31.12 H new ATOM 0 HB VAL A 60 2.375 4.846 -2.631 1.00 32.03 H new ATOM 0 HG11 VAL A 60 1.669 6.715 -4.051 1.00 74.30 H new ATOM 0 HG12 VAL A 60 3.437 6.542 -3.944 1.00 74.30 H new ATOM 0 HG13 VAL A 60 2.577 6.001 -5.405 1.00 74.30 H new ATOM 0 HG21 VAL A 60 0.229 4.855 -3.823 1.00 33.53 H new ATOM 0 HG22 VAL A 60 0.988 3.938 -5.147 1.00 33.53 H new ATOM 0 HG23 VAL A 60 0.859 3.217 -3.525 1.00 33.53 H new ATOM 932 N ARG A 61 5.027 4.658 -5.722 1.00 64.31 N ATOM 933 CA ARG A 61 5.590 4.891 -7.007 1.00 55.43 C ATOM 934 C ARG A 61 6.681 3.853 -7.294 1.00 63.34 C ATOM 935 O ARG A 61 6.865 3.444 -8.431 1.00 11.34 O ATOM 936 CB ARG A 61 6.146 6.290 -7.023 1.00 34.45 C ATOM 937 CG ARG A 61 6.892 6.687 -8.254 1.00 0.02 C ATOM 938 CD ARG A 61 6.046 6.632 -9.523 1.00 1.15 C ATOM 939 NE ARG A 61 6.767 7.219 -10.656 1.00 5.32 N ATOM 940 CZ ARG A 61 6.521 6.999 -11.955 1.00 64.50 C ATOM 941 NH1 ARG A 61 5.661 6.068 -12.344 1.00 30.01 N ATOM 942 NH2 ARG A 61 7.170 7.706 -12.872 1.00 72.54 N ATOM 0 H ARG A 61 5.507 5.150 -4.969 1.00 64.31 H new ATOM 0 HA ARG A 61 4.834 4.794 -7.786 1.00 55.43 H new ATOM 0 HB2 ARG A 61 5.321 6.988 -6.882 1.00 34.45 H new ATOM 0 HB3 ARG A 61 6.811 6.405 -6.167 1.00 34.45 H new ATOM 0 HG2 ARG A 61 7.276 7.699 -8.126 1.00 0.02 H new ATOM 0 HG3 ARG A 61 7.755 6.032 -8.373 1.00 0.02 H new ATOM 0 HD2 ARG A 61 5.787 5.597 -9.748 1.00 1.15 H new ATOM 0 HD3 ARG A 61 5.110 7.168 -9.365 1.00 1.15 H new ATOM 0 HE ARG A 61 7.531 7.858 -10.434 1.00 5.32 H new ATOM 0 HH11 ARG A 61 5.172 5.503 -11.649 1.00 30.01 H new ATOM 0 HH12 ARG A 61 5.488 5.917 -13.338 1.00 30.01 H new ATOM 0 HH21 ARG A 61 7.850 8.410 -12.586 1.00 72.54 H new ATOM 0 HH22 ARG A 61 6.989 7.545 -13.863 1.00 72.54 H new ATOM 956 N SER A 62 7.393 3.436 -6.253 1.00 3.21 N ATOM 957 CA SER A 62 8.407 2.405 -6.371 1.00 4.15 C ATOM 958 C SER A 62 7.760 1.122 -6.912 1.00 24.32 C ATOM 959 O SER A 62 8.232 0.542 -7.886 1.00 72.02 O ATOM 960 CB SER A 62 9.095 2.148 -5.000 1.00 13.13 C ATOM 961 OG SER A 62 10.152 1.201 -5.115 1.00 54.32 O ATOM 0 H SER A 62 7.281 3.804 -5.308 1.00 3.21 H new ATOM 0 HA SER A 62 9.179 2.735 -7.066 1.00 4.15 H new ATOM 0 HB2 SER A 62 9.487 3.086 -4.607 1.00 13.13 H new ATOM 0 HB3 SER A 62 8.357 1.786 -4.284 1.00 13.13 H new ATOM 0 HG SER A 62 10.565 1.063 -4.237 1.00 54.32 H new ATOM 967 N MET A 63 6.641 0.719 -6.307 1.00 52.51 N ATOM 968 CA MET A 63 5.919 -0.469 -6.760 1.00 0.40 C ATOM 969 C MET A 63 5.284 -0.247 -8.110 1.00 63.12 C ATOM 970 O MET A 63 5.151 -1.178 -8.897 1.00 0.14 O ATOM 971 CB MET A 63 4.880 -0.930 -5.749 1.00 15.32 C ATOM 972 CG MET A 63 5.470 -1.488 -4.475 1.00 31.11 C ATOM 973 SD MET A 63 6.580 -2.887 -4.785 1.00 51.11 S ATOM 974 CE MET A 63 5.487 -4.015 -5.664 1.00 42.14 C ATOM 0 H MET A 63 6.219 1.194 -5.509 1.00 52.51 H new ATOM 0 HA MET A 63 6.658 -1.264 -6.856 1.00 0.40 H new ATOM 0 HB2 MET A 63 4.232 -0.090 -5.500 1.00 15.32 H new ATOM 0 HB3 MET A 63 4.251 -1.691 -6.211 1.00 15.32 H new ATOM 0 HG2 MET A 63 6.017 -0.701 -3.956 1.00 31.11 H new ATOM 0 HG3 MET A 63 4.664 -1.806 -3.813 1.00 31.11 H new ATOM 0 HE1 MET A 63 5.898 -5.024 -5.626 1.00 42.14 H new ATOM 0 HE2 MET A 63 4.503 -4.006 -5.196 1.00 42.14 H new ATOM 0 HE3 MET A 63 5.397 -3.699 -6.703 1.00 42.14 H new ATOM 984 N ASP A 64 4.911 0.984 -8.368 1.00 50.43 N ATOM 985 CA ASP A 64 4.325 1.379 -9.647 1.00 13.53 C ATOM 986 C ASP A 64 5.335 1.233 -10.784 1.00 2.03 C ATOM 987 O ASP A 64 4.978 0.897 -11.912 1.00 61.20 O ATOM 988 CB ASP A 64 3.811 2.819 -9.567 1.00 12.23 C ATOM 989 CG ASP A 64 3.326 3.361 -10.885 1.00 70.42 C ATOM 990 OD1 ASP A 64 2.217 3.006 -11.323 1.00 22.23 O ATOM 991 OD2 ASP A 64 4.042 4.169 -11.496 1.00 71.02 O ATOM 0 H ASP A 64 5.002 1.750 -7.701 1.00 50.43 H new ATOM 0 HA ASP A 64 3.486 0.716 -9.859 1.00 13.53 H new ATOM 0 HB2 ASP A 64 2.997 2.866 -8.843 1.00 12.23 H new ATOM 0 HB3 ASP A 64 4.609 3.460 -9.192 1.00 12.23 H new ATOM 996 N ARG A 65 6.584 1.484 -10.469 1.00 10.24 N ATOM 997 CA ARG A 65 7.676 1.360 -11.418 1.00 35.55 C ATOM 998 C ARG A 65 7.976 -0.130 -11.591 1.00 33.22 C ATOM 999 O ARG A 65 7.983 -0.642 -12.708 1.00 12.44 O ATOM 1000 CB ARG A 65 8.894 2.137 -10.838 1.00 62.12 C ATOM 1001 CG ARG A 65 10.145 2.419 -11.733 1.00 13.22 C ATOM 1002 CD ARG A 65 10.993 1.198 -12.133 1.00 30.23 C ATOM 1003 NE ARG A 65 10.466 0.459 -13.279 1.00 14.03 N ATOM 1004 CZ ARG A 65 11.060 -0.615 -13.835 1.00 21.01 C ATOM 1005 NH1 ARG A 65 12.157 -1.144 -13.280 1.00 44.14 N ATOM 1006 NH2 ARG A 65 10.540 -1.169 -14.928 1.00 45.15 N ATOM 0 H ARG A 65 6.878 1.783 -9.539 1.00 10.24 H new ATOM 0 HA ARG A 65 7.434 1.777 -12.395 1.00 35.55 H new ATOM 0 HB2 ARG A 65 8.525 3.100 -10.485 1.00 62.12 H new ATOM 0 HB3 ARG A 65 9.240 1.588 -9.962 1.00 62.12 H new ATOM 0 HG2 ARG A 65 9.808 2.914 -12.644 1.00 13.22 H new ATOM 0 HG3 ARG A 65 10.789 3.124 -11.207 1.00 13.22 H new ATOM 0 HD2 ARG A 65 12.005 1.531 -12.362 1.00 30.23 H new ATOM 0 HD3 ARG A 65 11.065 0.523 -11.280 1.00 30.23 H new ATOM 0 HE ARG A 65 9.587 0.779 -13.686 1.00 14.03 H new ATOM 0 HH11 ARG A 65 12.548 -0.734 -12.432 1.00 44.14 H new ATOM 0 HH12 ARG A 65 12.602 -1.957 -13.705 1.00 44.14 H new ATOM 0 HH21 ARG A 65 9.693 -0.780 -15.343 1.00 45.15 H new ATOM 0 HH22 ARG A 65 10.988 -1.982 -15.350 1.00 45.15 H new ATOM 1020 N LYS A 66 8.166 -0.825 -10.462 1.00 50.40 N ATOM 1021 CA LYS A 66 8.494 -2.260 -10.455 1.00 75.13 C ATOM 1022 C LYS A 66 7.459 -3.079 -11.208 1.00 61.22 C ATOM 1023 O LYS A 66 7.803 -3.964 -12.001 1.00 72.30 O ATOM 1024 CB LYS A 66 8.586 -2.791 -9.022 1.00 5.34 C ATOM 1025 CG LYS A 66 9.657 -2.140 -8.175 1.00 64.03 C ATOM 1026 CD LYS A 66 9.630 -2.681 -6.757 1.00 21.34 C ATOM 1027 CE LYS A 66 10.666 -2.009 -5.875 1.00 54.25 C ATOM 1028 NZ LYS A 66 12.041 -2.197 -6.382 1.00 54.01 N ATOM 0 H LYS A 66 8.098 -0.413 -9.531 1.00 50.40 H new ATOM 0 HA LYS A 66 9.458 -2.362 -10.953 1.00 75.13 H new ATOM 0 HB2 LYS A 66 7.621 -2.651 -8.534 1.00 5.34 H new ATOM 0 HB3 LYS A 66 8.773 -3.864 -9.058 1.00 5.34 H new ATOM 0 HG2 LYS A 66 10.636 -2.320 -8.618 1.00 64.03 H new ATOM 0 HG3 LYS A 66 9.508 -1.060 -8.159 1.00 64.03 H new ATOM 0 HD2 LYS A 66 8.638 -2.532 -6.330 1.00 21.34 H new ATOM 0 HD3 LYS A 66 9.811 -3.756 -6.775 1.00 21.34 H new ATOM 0 HE2 LYS A 66 10.448 -0.943 -5.810 1.00 54.25 H new ATOM 0 HE3 LYS A 66 10.596 -2.411 -4.864 1.00 54.25 H new ATOM 0 HZ1 LYS A 66 12.722 -1.871 -5.667 1.00 54.01 H new ATOM 0 HZ2 LYS A 66 12.203 -3.205 -6.581 1.00 54.01 H new ATOM 0 HZ3 LYS A 66 12.167 -1.647 -7.256 1.00 54.01 H new ATOM 1042 N SER A 67 6.214 -2.791 -10.968 1.00 3.12 N ATOM 1043 CA SER A 67 5.149 -3.522 -11.580 1.00 43.01 C ATOM 1044 C SER A 67 4.851 -2.977 -12.964 1.00 72.04 C ATOM 1045 O SER A 67 4.605 -1.781 -13.134 1.00 32.41 O ATOM 1046 CB SER A 67 3.914 -3.454 -10.696 1.00 41.52 C ATOM 1047 OG SER A 67 4.227 -3.890 -9.377 1.00 13.42 O ATOM 0 H SER A 67 5.910 -2.044 -10.343 1.00 3.12 H new ATOM 0 HA SER A 67 5.449 -4.564 -11.691 1.00 43.01 H new ATOM 0 HB2 SER A 67 3.534 -2.433 -10.668 1.00 41.52 H new ATOM 0 HB3 SER A 67 3.124 -4.077 -11.115 1.00 41.52 H new ATOM 0 HG SER A 67 4.608 -3.144 -8.868 1.00 13.42 H new ATOM 1053 N ASN A 68 4.901 -3.847 -13.947 1.00 3.10 N ATOM 1054 CA ASN A 68 4.580 -3.475 -15.305 1.00 10.00 C ATOM 1055 C ASN A 68 3.097 -3.253 -15.406 1.00 52.34 C ATOM 1056 O ASN A 68 2.310 -4.144 -15.082 1.00 30.11 O ATOM 1057 CB ASN A 68 5.011 -4.571 -16.286 1.00 60.25 C ATOM 1058 CG ASN A 68 4.645 -4.266 -17.736 1.00 32.31 C ATOM 1059 OD1 ASN A 68 5.412 -3.635 -18.461 1.00 53.34 O ATOM 1060 ND2 ASN A 68 3.491 -4.735 -18.177 1.00 43.21 N ATOM 0 H ASN A 68 5.163 -4.826 -13.829 1.00 3.10 H new ATOM 0 HA ASN A 68 5.115 -2.561 -15.563 1.00 10.00 H new ATOM 0 HB2 ASN A 68 6.090 -4.710 -16.213 1.00 60.25 H new ATOM 0 HB3 ASN A 68 4.548 -5.513 -15.993 1.00 60.25 H new ATOM 0 HD21 ASN A 68 3.213 -4.577 -19.146 1.00 43.21 H new ATOM 0 HD22 ASN A 68 2.878 -5.255 -17.549 1.00 43.21 H new ATOM 1067 N THR A 69 2.714 -2.095 -15.818 1.00 15.35 N ATOM 1068 CA THR A 69 1.339 -1.803 -15.944 1.00 45.35 C ATOM 1069 C THR A 69 1.020 -1.471 -17.390 1.00 53.52 C ATOM 1070 O THR A 69 1.915 -1.110 -18.162 1.00 24.20 O ATOM 1071 CB THR A 69 0.905 -0.674 -14.981 1.00 74.13 C ATOM 1072 OG1 THR A 69 -0.522 -0.510 -15.019 1.00 50.30 O ATOM 1073 CG2 THR A 69 1.582 0.616 -15.336 1.00 12.41 C ATOM 0 H THR A 69 3.343 -1.333 -16.074 1.00 15.35 H new ATOM 0 HA THR A 69 0.765 -2.684 -15.658 1.00 45.35 H new ATOM 0 HB THR A 69 1.203 -0.953 -13.970 1.00 74.13 H new ATOM 0 HG1 THR A 69 -0.785 0.206 -14.404 1.00 50.30 H new ATOM 0 HG21 THR A 69 1.262 1.397 -14.646 1.00 12.41 H new ATOM 0 HG22 THR A 69 2.663 0.491 -15.267 1.00 12.41 H new ATOM 0 HG23 THR A 69 1.314 0.900 -16.354 1.00 12.41 H new ATOM 1081 N ARG A 70 -0.216 -1.625 -17.766 1.00 32.53 N ATOM 1082 CA ARG A 70 -0.628 -1.347 -19.112 1.00 14.40 C ATOM 1083 C ARG A 70 -1.549 -0.147 -19.128 1.00 45.25 C ATOM 1084 O ARG A 70 -1.245 0.861 -19.757 1.00 11.13 O ATOM 1085 CB ARG A 70 -1.305 -2.564 -19.747 1.00 4.13 C ATOM 1086 CG ARG A 70 -0.424 -3.800 -19.808 1.00 53.42 C ATOM 1087 CD ARG A 70 -1.104 -4.947 -20.538 1.00 51.32 C ATOM 1088 NE ARG A 70 -2.361 -5.385 -19.904 1.00 15.32 N ATOM 1089 CZ ARG A 70 -3.128 -6.394 -20.364 1.00 33.01 C ATOM 1090 NH1 ARG A 70 -2.760 -7.087 -21.441 1.00 3.52 N ATOM 1091 NH2 ARG A 70 -4.251 -6.708 -19.741 1.00 62.25 N ATOM 0 H ARG A 70 -0.965 -1.945 -17.152 1.00 32.53 H new ATOM 0 HA ARG A 70 0.257 -1.120 -19.706 1.00 14.40 H new ATOM 0 HB2 ARG A 70 -2.207 -2.801 -19.182 1.00 4.13 H new ATOM 0 HB3 ARG A 70 -1.620 -2.305 -20.758 1.00 4.13 H new ATOM 0 HG2 ARG A 70 0.512 -3.554 -20.310 1.00 53.42 H new ATOM 0 HG3 ARG A 70 -0.169 -4.114 -18.796 1.00 53.42 H new ATOM 0 HD2 ARG A 70 -1.311 -4.642 -21.564 1.00 51.32 H new ATOM 0 HD3 ARG A 70 -0.418 -5.793 -20.589 1.00 51.32 H new ATOM 0 HE ARG A 70 -2.670 -4.894 -19.065 1.00 15.32 H new ATOM 0 HH11 ARG A 70 -1.892 -6.856 -21.924 1.00 3.52 H new ATOM 0 HH12 ARG A 70 -3.346 -7.849 -21.782 1.00 3.52 H new ATOM 0 HH21 ARG A 70 -4.537 -6.187 -18.912 1.00 62.25 H new ATOM 0 HH22 ARG A 70 -4.831 -7.471 -20.089 1.00 62.25 H new ATOM 1105 N ASN A 71 -2.663 -0.249 -18.422 1.00 75.42 N ATOM 1106 CA ASN A 71 -3.634 0.843 -18.348 1.00 22.13 C ATOM 1107 C ASN A 71 -4.647 0.557 -17.263 1.00 54.25 C ATOM 1108 O ASN A 71 -4.801 1.323 -16.324 1.00 3.11 O ATOM 1109 CB ASN A 71 -4.359 1.043 -19.693 1.00 55.12 C ATOM 1110 CG ASN A 71 -5.313 2.233 -19.683 1.00 0.24 C ATOM 1111 OD1 ASN A 71 -4.925 3.354 -19.998 1.00 34.14 O ATOM 1112 ND2 ASN A 71 -6.560 2.002 -19.346 1.00 4.35 N ATOM 0 H ASN A 71 -2.923 -1.078 -17.888 1.00 75.42 H new ATOM 0 HA ASN A 71 -3.092 1.759 -18.114 1.00 22.13 H new ATOM 0 HB2 ASN A 71 -3.619 1.184 -20.481 1.00 55.12 H new ATOM 0 HB3 ASN A 71 -4.917 0.139 -19.937 1.00 55.12 H new ATOM 0 HD21 ASN A 71 -7.237 2.765 -19.341 1.00 4.35 H new ATOM 0 HD22 ASN A 71 -6.853 1.059 -19.089 1.00 4.35 H new ATOM 1119 N ASN A 72 -5.334 -0.555 -17.395 1.00 43.21 N ATOM 1120 CA ASN A 72 -6.343 -0.960 -16.426 1.00 51.41 C ATOM 1121 C ASN A 72 -5.679 -1.632 -15.260 1.00 22.41 C ATOM 1122 O ASN A 72 -5.220 -2.771 -15.375 1.00 11.12 O ATOM 1123 CB ASN A 72 -7.365 -1.946 -17.037 1.00 63.31 C ATOM 1124 CG ASN A 72 -8.214 -1.381 -18.163 1.00 74.13 C ATOM 1125 OD1 ASN A 72 -7.797 -0.482 -18.908 1.00 40.24 O ATOM 1126 ND2 ASN A 72 -9.396 -1.912 -18.315 1.00 12.22 N ATOM 0 H ASN A 72 -5.215 -1.206 -18.171 1.00 43.21 H new ATOM 0 HA ASN A 72 -6.871 -0.060 -16.110 1.00 51.41 H new ATOM 0 HB2 ASN A 72 -6.827 -2.817 -17.411 1.00 63.31 H new ATOM 0 HB3 ASN A 72 -8.027 -2.296 -16.245 1.00 63.31 H new ATOM 0 HD21 ASN A 72 -10.008 -1.589 -19.065 1.00 12.22 H new ATOM 0 HD22 ASN A 72 -9.708 -2.650 -17.684 1.00 12.22 H new ATOM 1133 N MET A 73 -5.586 -0.950 -14.156 1.00 13.42 N ATOM 1134 CA MET A 73 -4.983 -1.537 -12.993 1.00 10.15 C ATOM 1135 C MET A 73 -6.022 -2.289 -12.214 1.00 10.11 C ATOM 1136 O MET A 73 -6.834 -1.696 -11.516 1.00 0.21 O ATOM 1137 CB MET A 73 -4.300 -0.498 -12.107 1.00 2.22 C ATOM 1138 CG MET A 73 -3.153 0.241 -12.776 1.00 62.11 C ATOM 1139 SD MET A 73 -2.349 1.421 -11.667 1.00 73.33 S ATOM 1140 CE MET A 73 -1.719 0.329 -10.388 1.00 53.52 C ATOM 0 H MET A 73 -5.917 0.007 -14.035 1.00 13.42 H new ATOM 0 HA MET A 73 -4.207 -2.224 -13.331 1.00 10.15 H new ATOM 0 HB2 MET A 73 -5.044 0.229 -11.781 1.00 2.22 H new ATOM 0 HB3 MET A 73 -3.924 -0.993 -11.211 1.00 2.22 H new ATOM 0 HG2 MET A 73 -2.417 -0.481 -13.129 1.00 62.11 H new ATOM 0 HG3 MET A 73 -3.528 0.769 -13.653 1.00 62.11 H new ATOM 0 HE1 MET A 73 -0.909 0.825 -9.853 1.00 53.52 H new ATOM 0 HE2 MET A 73 -2.520 0.086 -9.690 1.00 53.52 H new ATOM 0 HE3 MET A 73 -1.345 -0.588 -10.844 1.00 53.52 H new ATOM 1150 N ILE A 74 -6.033 -3.589 -12.381 1.00 54.21 N ATOM 1151 CA ILE A 74 -6.963 -4.451 -11.666 1.00 63.24 C ATOM 1152 C ILE A 74 -6.263 -5.122 -10.492 1.00 43.22 C ATOM 1153 O ILE A 74 -6.828 -5.977 -9.801 1.00 2.11 O ATOM 1154 CB ILE A 74 -7.560 -5.537 -12.597 1.00 51.13 C ATOM 1155 CG1 ILE A 74 -6.443 -6.422 -13.187 1.00 63.44 C ATOM 1156 CG2 ILE A 74 -8.385 -4.885 -13.704 1.00 65.44 C ATOM 1157 CD1 ILE A 74 -6.944 -7.558 -14.055 1.00 60.35 C ATOM 0 H ILE A 74 -5.403 -4.085 -13.012 1.00 54.21 H new ATOM 0 HA ILE A 74 -7.777 -3.825 -11.300 1.00 63.24 H new ATOM 0 HB ILE A 74 -8.218 -6.178 -12.010 1.00 51.13 H new ATOM 0 HG12 ILE A 74 -5.773 -5.797 -13.777 1.00 63.44 H new ATOM 0 HG13 ILE A 74 -5.854 -6.837 -12.369 1.00 63.44 H new ATOM 0 HG21 ILE A 74 -8.799 -5.657 -14.352 1.00 65.44 H new ATOM 0 HG22 ILE A 74 -9.197 -4.309 -13.261 1.00 65.44 H new ATOM 0 HG23 ILE A 74 -7.748 -4.223 -14.290 1.00 65.44 H new ATOM 0 HD11 ILE A 74 -6.096 -8.131 -14.430 1.00 60.35 H new ATOM 0 HD12 ILE A 74 -7.590 -8.209 -13.465 1.00 60.35 H new ATOM 0 HD13 ILE A 74 -7.508 -7.153 -14.895 1.00 60.35 H new ATOM 1169 N GLN A 75 -5.038 -4.725 -10.271 1.00 33.54 N ATOM 1170 CA GLN A 75 -4.234 -5.277 -9.224 1.00 62.50 C ATOM 1171 C GLN A 75 -4.040 -4.256 -8.135 1.00 3.13 C ATOM 1172 O GLN A 75 -4.767 -4.321 -7.124 1.00 38.35 O ATOM 1173 CB GLN A 75 -2.892 -5.756 -9.754 1.00 12.31 C ATOM 1174 CG GLN A 75 -2.994 -6.865 -10.779 1.00 35.34 C ATOM 1175 CD GLN A 75 -1.643 -7.351 -11.220 1.00 73.43 C ATOM 1176 OE1 GLN A 75 -1.065 -6.844 -12.187 1.00 31.01 O ATOM 1177 NE2 GLN A 75 -1.113 -8.313 -10.510 1.00 64.31 N ATOM 0 H GLN A 75 -4.570 -4.003 -10.819 1.00 33.54 H new ATOM 0 HA GLN A 75 -4.753 -6.142 -8.812 1.00 62.50 H new ATOM 0 HB2 GLN A 75 -2.367 -4.911 -10.199 1.00 12.31 H new ATOM 0 HB3 GLN A 75 -2.286 -6.103 -8.917 1.00 12.31 H new ATOM 0 HG2 GLN A 75 -3.559 -7.697 -10.358 1.00 35.34 H new ATOM 0 HG3 GLN A 75 -3.551 -6.508 -11.645 1.00 35.34 H new ATOM 0 HE21 GLN A 75 -1.624 -8.704 -9.719 1.00 64.31 H new ATOM 0 HE22 GLN A 75 -0.188 -8.672 -10.747 1.00 64.31 H new TER 1186 GLN A 75