USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 639 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 96 THR OG1 : rot -68:sc= 1.74 USER MOD Set 1.2: A 98 THR OG1 : rot 86:sc= 0.0719 USER MOD Set 2.1: A 52 THR OG1 : rot -152:sc= -1.21 USER MOD Set 2.2: A 54 THR OG1 : rot 35:sc= -4.15! USER MOD Set 3.1: A 35 GLN : amide:sc= -0.184 X(o=-0.19,f=-0.31) USER MOD Set 3.2: A 38 ASN : amide:sc= -0.0101 X(o=-0.19,f=-0.18) USER MOD Single : A 3 HIS : no HD1:sc= -0.0369 X(o=-0.037,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -1.66! C(o=-1.7!,f=-2.8!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -138:sc= 0.0124 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 13 LYS NZ :NH3+ 174:sc=-0.000363 (180deg=-0.0509) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.164 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 170:sc= -1.09 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 165:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -2.18! USER MOD Single : A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -172:sc= 1.28 (180deg=1.2) USER MOD Single : A 55 TYR OH : rot 79:sc= 0.407 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 136:sc= -0.0837 (180deg=-3.71!) USER MOD Single : A 82 LYS NZ :NH3+ -170:sc= -0.0153 (180deg=-0.157) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 170:sc= 0.0264 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HE2:sc= -2.62! C(o=-2.6!,f=-2.8!) USER MOD Single : A 95 ASN : amide:sc= -1.33 K(o=-1.3,f=-2.3!) USER MOD Single : A 99 THR OG1 : rot 46:sc= 0.0754 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N HIS A 3 -37.518 6.097 -0.723 1.00 0.62 N ATOM 22 CA HIS A 3 -36.271 5.406 -0.408 1.00 0.44 C ATOM 23 C HIS A 3 -35.349 5.449 -1.626 1.00 0.40 C ATOM 24 O HIS A 3 -35.823 5.550 -2.759 1.00 0.53 O ATOM 25 CB HIS A 3 -36.535 3.943 -0.013 1.00 0.55 C ATOM 26 CG HIS A 3 -37.362 3.786 1.230 1.00 1.04 C ATOM 27 ND1 HIS A 3 -38.702 3.469 1.216 1.00 1.55 N ATOM 28 CD2 HIS A 3 -37.021 3.892 2.534 1.00 1.91 C ATOM 29 CE1 HIS A 3 -39.149 3.392 2.455 1.00 2.22 C ATOM 30 NE2 HIS A 3 -38.148 3.643 3.274 1.00 2.50 N ATOM 0 HA HIS A 3 -35.799 5.908 0.436 1.00 0.44 H new ATOM 0 HB2 HIS A 3 -37.039 3.440 -0.838 1.00 0.55 H new ATOM 0 HB3 HIS A 3 -35.580 3.439 0.132 1.00 0.55 H new ATOM 0 HD2 HIS A 3 -36.041 4.129 2.921 1.00 1.91 H new ATOM 0 HE1 HIS A 3 -40.163 3.162 2.748 1.00 2.22 H new ATOM 0 HE2 HIS A 3 -38.203 3.651 4.293 1.00 2.50 H new ATOM 39 N MET A 4 -34.051 5.346 -1.401 1.00 0.38 N ATOM 40 CA MET A 4 -33.089 5.396 -2.492 1.00 0.41 C ATOM 41 C MET A 4 -32.236 4.135 -2.503 1.00 0.37 C ATOM 42 O MET A 4 -31.829 3.645 -1.447 1.00 0.43 O ATOM 43 CB MET A 4 -32.187 6.636 -2.377 1.00 0.54 C ATOM 44 CG MET A 4 -32.922 7.953 -2.567 1.00 1.29 C ATOM 45 SD MET A 4 -33.599 8.137 -4.231 1.00 1.92 S ATOM 46 CE MET A 4 -34.402 9.731 -4.092 1.00 2.06 C ATOM 0 H MET A 4 -33.638 5.227 -0.476 1.00 0.38 H new ATOM 0 HA MET A 4 -33.645 5.460 -3.427 1.00 0.41 H new ATOM 0 HB2 MET A 4 -31.709 6.636 -1.397 1.00 0.54 H new ATOM 0 HB3 MET A 4 -31.392 6.565 -3.119 1.00 0.54 H new ATOM 0 HG2 MET A 4 -33.731 8.021 -1.840 1.00 1.29 H new ATOM 0 HG3 MET A 4 -32.240 8.778 -2.363 1.00 1.29 H new ATOM 0 HE1 MET A 4 -34.869 9.987 -5.043 1.00 2.06 H new ATOM 0 HE2 MET A 4 -35.163 9.688 -3.313 1.00 2.06 H new ATOM 0 HE3 MET A 4 -33.663 10.490 -3.835 1.00 2.06 H new ATOM 56 N GLN A 5 -32.020 3.581 -3.692 1.00 0.34 N ATOM 57 CA GLN A 5 -31.192 2.395 -3.854 1.00 0.33 C ATOM 58 C GLN A 5 -29.734 2.798 -4.054 1.00 0.29 C ATOM 59 O GLN A 5 -29.403 3.499 -5.013 1.00 0.49 O ATOM 60 CB GLN A 5 -31.658 1.576 -5.061 1.00 0.44 C ATOM 61 CG GLN A 5 -30.850 0.307 -5.278 1.00 0.53 C ATOM 62 CD GLN A 5 -31.221 -0.801 -4.319 1.00 1.07 C ATOM 63 OE1 GLN A 5 -30.663 -0.911 -3.228 1.00 1.90 O ATOM 64 NE2 GLN A 5 -32.154 -1.643 -4.728 1.00 1.53 N ATOM 0 H GLN A 5 -32.411 3.940 -4.563 1.00 0.34 H new ATOM 0 HA GLN A 5 -31.284 1.788 -2.953 1.00 0.33 H new ATOM 0 HB2 GLN A 5 -32.707 1.312 -4.928 1.00 0.44 H new ATOM 0 HB3 GLN A 5 -31.596 2.195 -5.956 1.00 0.44 H new ATOM 0 HG2 GLN A 5 -30.997 -0.041 -6.301 1.00 0.53 H new ATOM 0 HG3 GLN A 5 -29.790 0.535 -5.169 1.00 0.53 H new ATOM 0 HE21 GLN A 5 -32.592 -1.515 -5.640 1.00 1.53 H new ATOM 0 HE22 GLN A 5 -32.437 -2.420 -4.131 1.00 1.53 H new ATOM 73 N TYR A 6 -28.875 2.371 -3.145 1.00 0.20 N ATOM 74 CA TYR A 6 -27.446 2.653 -3.253 1.00 0.21 C ATOM 75 C TYR A 6 -26.703 1.341 -3.450 1.00 0.23 C ATOM 76 O TYR A 6 -27.158 0.291 -2.983 1.00 0.30 O ATOM 77 CB TYR A 6 -26.911 3.362 -1.984 1.00 0.28 C ATOM 78 CG TYR A 6 -27.365 4.796 -1.827 1.00 0.28 C ATOM 79 CD1 TYR A 6 -26.645 5.832 -2.405 1.00 0.79 C ATOM 80 CD2 TYR A 6 -28.517 5.116 -1.114 1.00 0.78 C ATOM 81 CE1 TYR A 6 -27.054 7.146 -2.282 1.00 0.82 C ATOM 82 CE2 TYR A 6 -28.931 6.430 -0.984 1.00 0.83 C ATOM 83 CZ TYR A 6 -28.205 7.431 -1.504 1.00 0.43 C ATOM 84 OH TYR A 6 -28.612 8.748 -1.448 1.00 0.53 O ATOM 0 H TYR A 6 -29.137 1.828 -2.323 1.00 0.20 H new ATOM 0 HA TYR A 6 -27.286 3.318 -4.102 1.00 0.21 H new ATOM 0 HB2 TYR A 6 -27.226 2.796 -1.107 1.00 0.28 H new ATOM 0 HB3 TYR A 6 -25.821 3.339 -2.003 1.00 0.28 H new ATOM 0 HD1 TYR A 6 -25.747 5.607 -2.962 1.00 0.79 H new ATOM 0 HD2 TYR A 6 -29.096 4.328 -0.656 1.00 0.78 H new ATOM 0 HE1 TYR A 6 -26.508 7.940 -2.769 1.00 0.82 H new ATOM 0 HE2 TYR A 6 -29.848 6.652 -0.458 1.00 0.83 H new ATOM 0 HH TYR A 6 -29.412 8.820 -0.886 1.00 0.53 H new ATOM 94 N LYS A 7 -25.584 1.385 -4.150 1.00 0.26 N ATOM 95 CA LYS A 7 -24.793 0.184 -4.370 1.00 0.30 C ATOM 96 C LYS A 7 -23.374 0.366 -3.884 1.00 0.23 C ATOM 97 O LYS A 7 -22.921 1.484 -3.650 1.00 0.31 O ATOM 98 CB LYS A 7 -24.813 -0.257 -5.845 1.00 0.50 C ATOM 99 CG LYS A 7 -25.021 0.873 -6.834 1.00 0.98 C ATOM 100 CD LYS A 7 -25.265 0.318 -8.225 1.00 1.30 C ATOM 101 CE LYS A 7 -25.725 1.395 -9.189 1.00 1.94 C ATOM 102 NZ LYS A 7 -26.130 0.829 -10.500 1.00 2.57 N ATOM 0 H LYS A 7 -25.203 2.231 -4.574 1.00 0.26 H new ATOM 0 HA LYS A 7 -25.254 -0.612 -3.785 1.00 0.30 H new ATOM 0 HB2 LYS A 7 -23.872 -0.756 -6.075 1.00 0.50 H new ATOM 0 HB3 LYS A 7 -25.606 -0.993 -5.981 1.00 0.50 H new ATOM 0 HG2 LYS A 7 -25.869 1.484 -6.525 1.00 0.98 H new ATOM 0 HG3 LYS A 7 -24.146 1.523 -6.843 1.00 0.98 H new ATOM 0 HD2 LYS A 7 -24.349 -0.138 -8.600 1.00 1.30 H new ATOM 0 HD3 LYS A 7 -26.016 -0.470 -8.175 1.00 1.30 H new ATOM 0 HE2 LYS A 7 -26.564 1.938 -8.753 1.00 1.94 H new ATOM 0 HE3 LYS A 7 -24.921 2.116 -9.338 1.00 1.94 H new ATOM 0 HZ1 LYS A 7 -25.768 1.433 -11.266 1.00 2.57 H new ATOM 0 HZ2 LYS A 7 -25.739 -0.129 -10.600 1.00 2.57 H new ATOM 0 HZ3 LYS A 7 -27.168 0.786 -10.554 1.00 2.57 H new ATOM 116 N LEU A 8 -22.701 -0.753 -3.695 1.00 0.22 N ATOM 117 CA LEU A 8 -21.342 -0.767 -3.179 1.00 0.20 C ATOM 118 C LEU A 8 -20.534 -1.835 -3.893 1.00 0.17 C ATOM 119 O LEU A 8 -21.052 -2.908 -4.211 1.00 0.25 O ATOM 120 CB LEU A 8 -21.368 -1.058 -1.667 1.00 0.28 C ATOM 121 CG LEU A 8 -20.019 -1.056 -0.941 1.00 0.28 C ATOM 122 CD1 LEU A 8 -19.535 0.356 -0.643 1.00 0.30 C ATOM 123 CD2 LEU A 8 -20.140 -1.849 0.340 1.00 0.33 C ATOM 0 H LEU A 8 -23.079 -1.679 -3.894 1.00 0.22 H new ATOM 0 HA LEU A 8 -20.880 0.205 -3.351 1.00 0.20 H new ATOM 0 HB2 LEU A 8 -22.012 -0.319 -1.190 1.00 0.28 H new ATOM 0 HB3 LEU A 8 -21.834 -2.032 -1.516 1.00 0.28 H new ATOM 0 HG LEU A 8 -19.280 -1.518 -1.596 1.00 0.28 H new ATOM 0 HD11 LEU A 8 -18.575 0.311 -0.128 1.00 0.30 H new ATOM 0 HD12 LEU A 8 -19.420 0.906 -1.577 1.00 0.30 H new ATOM 0 HD13 LEU A 8 -20.263 0.864 -0.010 1.00 0.30 H new ATOM 0 HD21 LEU A 8 -19.182 -1.850 0.859 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -20.898 -1.396 0.978 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -20.427 -2.874 0.107 1.00 0.33 H new ATOM 135 N ILE A 9 -19.280 -1.522 -4.165 1.00 0.15 N ATOM 136 CA ILE A 9 -18.381 -2.455 -4.818 1.00 0.14 C ATOM 137 C ILE A 9 -17.185 -2.692 -3.912 1.00 0.13 C ATOM 138 O ILE A 9 -16.420 -1.764 -3.645 1.00 0.17 O ATOM 139 CB ILE A 9 -17.896 -1.923 -6.196 1.00 0.20 C ATOM 140 CG1 ILE A 9 -19.078 -1.753 -7.178 1.00 0.26 C ATOM 141 CG2 ILE A 9 -16.844 -2.862 -6.791 1.00 0.26 C ATOM 142 CD1 ILE A 9 -18.678 -1.113 -8.498 1.00 0.62 C ATOM 0 H ILE A 9 -18.859 -0.620 -3.941 1.00 0.15 H new ATOM 0 HA ILE A 9 -18.919 -3.386 -4.998 1.00 0.14 H new ATOM 0 HB ILE A 9 -17.445 -0.943 -6.037 1.00 0.20 H new ATOM 0 HG12 ILE A 9 -19.520 -2.729 -7.375 1.00 0.26 H new ATOM 0 HG13 ILE A 9 -19.849 -1.144 -6.706 1.00 0.26 H new ATOM 0 HG21 ILE A 9 -16.515 -2.475 -7.755 1.00 0.26 H new ATOM 0 HG22 ILE A 9 -15.991 -2.927 -6.116 1.00 0.26 H new ATOM 0 HG23 ILE A 9 -17.276 -3.854 -6.926 1.00 0.26 H new ATOM 0 HD11 ILE A 9 -19.555 -1.024 -9.139 1.00 0.62 H new ATOM 0 HD12 ILE A 9 -18.263 -0.123 -8.311 1.00 0.62 H new ATOM 0 HD13 ILE A 9 -17.929 -1.733 -8.991 1.00 0.62 H new ATOM 154 N LEU A 10 -17.057 -3.904 -3.382 1.00 0.12 N ATOM 155 CA LEU A 10 -15.943 -4.202 -2.494 1.00 0.13 C ATOM 156 C LEU A 10 -14.727 -4.563 -3.318 1.00 0.15 C ATOM 157 O LEU A 10 -14.649 -5.651 -3.897 1.00 0.25 O ATOM 158 CB LEU A 10 -16.238 -5.339 -1.488 1.00 0.14 C ATOM 159 CG LEU A 10 -17.377 -5.130 -0.474 1.00 0.16 C ATOM 160 CD1 LEU A 10 -17.472 -3.700 -0.018 1.00 0.17 C ATOM 161 CD2 LEU A 10 -18.714 -5.614 -1.024 1.00 0.19 C ATOM 0 H LEU A 10 -17.697 -4.680 -3.548 1.00 0.12 H new ATOM 0 HA LEU A 10 -15.765 -3.303 -1.904 1.00 0.13 H new ATOM 0 HB2 LEU A 10 -16.461 -6.240 -2.059 1.00 0.14 H new ATOM 0 HB3 LEU A 10 -15.324 -5.534 -0.928 1.00 0.14 H new ATOM 0 HG LEU A 10 -17.133 -5.736 0.399 1.00 0.16 H new ATOM 0 HD11 LEU A 10 -18.289 -3.599 0.696 1.00 0.17 H new ATOM 0 HD12 LEU A 10 -16.536 -3.407 0.458 1.00 0.17 H new ATOM 0 HD13 LEU A 10 -17.660 -3.056 -0.877 1.00 0.17 H new ATOM 0 HD21 LEU A 10 -19.494 -5.450 -0.280 1.00 0.19 H new ATOM 0 HD22 LEU A 10 -18.956 -5.061 -1.931 1.00 0.19 H new ATOM 0 HD23 LEU A 10 -18.649 -6.678 -1.254 1.00 0.19 H new ATOM 173 N ASN A 11 -13.821 -3.615 -3.444 1.00 0.15 N ATOM 174 CA ASN A 11 -12.604 -3.844 -4.177 1.00 0.18 C ATOM 175 C ASN A 11 -11.515 -4.194 -3.188 1.00 0.20 C ATOM 176 O ASN A 11 -10.658 -3.369 -2.849 1.00 0.24 O ATOM 177 CB ASN A 11 -12.244 -2.576 -4.949 1.00 0.24 C ATOM 178 CG ASN A 11 -11.290 -2.812 -6.096 1.00 1.01 C ATOM 179 OD1 ASN A 11 -10.457 -3.719 -6.070 1.00 1.96 O ATOM 180 ND2 ASN A 11 -11.410 -1.971 -7.112 1.00 1.33 N ATOM 0 H ASN A 11 -13.909 -2.680 -3.046 1.00 0.15 H new ATOM 0 HA ASN A 11 -12.723 -4.662 -4.887 1.00 0.18 H new ATOM 0 HB2 ASN A 11 -13.158 -2.125 -5.336 1.00 0.24 H new ATOM 0 HB3 ASN A 11 -11.800 -1.857 -4.261 1.00 0.24 H new ATOM 0 HD21 ASN A 11 -10.796 -2.058 -7.922 1.00 1.33 H new ATOM 0 HD22 ASN A 11 -12.117 -1.236 -7.085 1.00 1.33 H new ATOM 187 N GLY A 12 -11.504 -5.453 -2.814 1.00 0.21 N ATOM 188 CA GLY A 12 -10.529 -5.939 -1.877 1.00 0.26 C ATOM 189 C GLY A 12 -10.046 -7.299 -2.298 1.00 0.39 C ATOM 190 O GLY A 12 -10.846 -8.207 -2.478 1.00 0.91 O ATOM 0 H GLY A 12 -12.162 -6.157 -3.148 1.00 0.21 H new ATOM 0 HA2 GLY A 12 -9.689 -5.247 -1.821 1.00 0.26 H new ATOM 0 HA3 GLY A 12 -10.965 -5.991 -0.880 1.00 0.26 H new ATOM 194 N LYS A 13 -8.751 -7.430 -2.506 1.00 0.44 N ATOM 195 CA LYS A 13 -8.164 -8.688 -2.973 1.00 0.56 C ATOM 196 C LYS A 13 -8.450 -9.854 -2.017 1.00 0.66 C ATOM 197 O LYS A 13 -8.260 -11.014 -2.378 1.00 0.89 O ATOM 198 CB LYS A 13 -6.657 -8.521 -3.186 1.00 0.76 C ATOM 199 CG LYS A 13 -6.322 -7.479 -4.247 1.00 1.17 C ATOM 200 CD LYS A 13 -4.822 -7.277 -4.407 1.00 1.63 C ATOM 201 CE LYS A 13 -4.506 -6.291 -5.528 1.00 2.41 C ATOM 202 NZ LYS A 13 -5.015 -4.915 -5.246 1.00 3.26 N ATOM 0 H LYS A 13 -8.075 -6.681 -2.360 1.00 0.44 H new ATOM 0 HA LYS A 13 -8.635 -8.935 -3.925 1.00 0.56 H new ATOM 0 HB2 LYS A 13 -6.191 -8.235 -2.243 1.00 0.76 H new ATOM 0 HB3 LYS A 13 -6.227 -9.480 -3.476 1.00 0.76 H new ATOM 0 HG2 LYS A 13 -6.749 -7.786 -5.202 1.00 1.17 H new ATOM 0 HG3 LYS A 13 -6.787 -6.530 -3.981 1.00 1.17 H new ATOM 0 HD2 LYS A 13 -4.401 -6.911 -3.470 1.00 1.63 H new ATOM 0 HD3 LYS A 13 -4.346 -8.234 -4.618 1.00 1.63 H new ATOM 0 HE2 LYS A 13 -3.427 -6.251 -5.678 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -4.944 -6.652 -6.458 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -4.687 -4.265 -5.988 1.00 3.26 H new ATOM 0 HZ2 LYS A 13 -6.055 -4.926 -5.230 1.00 3.26 H new ATOM 0 HZ3 LYS A 13 -4.658 -4.595 -4.323 1.00 3.26 H new ATOM 216 N THR A 14 -8.919 -9.551 -0.807 1.00 0.76 N ATOM 217 CA THR A 14 -9.271 -10.587 0.159 1.00 1.06 C ATOM 218 C THR A 14 -10.664 -11.146 -0.145 1.00 0.93 C ATOM 219 O THR A 14 -10.885 -12.358 -0.107 1.00 1.20 O ATOM 220 CB THR A 14 -9.242 -10.021 1.592 1.00 1.44 C ATOM 221 OG1 THR A 14 -8.091 -9.179 1.750 1.00 1.93 O ATOM 222 CG2 THR A 14 -9.200 -11.138 2.629 1.00 1.86 C ATOM 0 H THR A 14 -9.063 -8.598 -0.474 1.00 0.76 H new ATOM 0 HA THR A 14 -8.538 -11.390 0.081 1.00 1.06 H new ATOM 0 HB THR A 14 -10.154 -9.444 1.749 1.00 1.44 H new ATOM 0 HG1 THR A 14 -8.073 -8.817 2.661 1.00 1.93 H new ATOM 0 HG21 THR A 14 -9.180 -10.705 3.629 1.00 1.86 H new ATOM 0 HG22 THR A 14 -10.084 -11.766 2.523 1.00 1.86 H new ATOM 0 HG23 THR A 14 -8.305 -11.742 2.477 1.00 1.86 H new ATOM 230 N LEU A 15 -11.568 -10.259 -0.556 1.00 0.64 N ATOM 231 CA LEU A 15 -12.942 -10.626 -0.860 1.00 0.66 C ATOM 232 C LEU A 15 -13.528 -9.581 -1.810 1.00 0.49 C ATOM 233 O LEU A 15 -13.599 -8.400 -1.470 1.00 0.55 O ATOM 234 CB LEU A 15 -13.764 -10.709 0.450 1.00 0.92 C ATOM 235 CG LEU A 15 -15.213 -11.195 0.334 1.00 1.07 C ATOM 236 CD1 LEU A 15 -16.118 -10.086 -0.184 1.00 1.80 C ATOM 237 CD2 LEU A 15 -15.281 -12.425 -0.553 1.00 1.35 C ATOM 0 H LEU A 15 -11.365 -9.268 -0.686 1.00 0.64 H new ATOM 0 HA LEU A 15 -12.976 -11.604 -1.341 1.00 0.66 H new ATOM 0 HB2 LEU A 15 -13.239 -11.372 1.138 1.00 0.92 H new ATOM 0 HB3 LEU A 15 -13.774 -9.719 0.906 1.00 0.92 H new ATOM 0 HG LEU A 15 -15.571 -11.470 1.326 1.00 1.07 H new ATOM 0 HD11 LEU A 15 -17.141 -10.456 -0.258 1.00 1.80 H new ATOM 0 HD12 LEU A 15 -16.086 -9.240 0.503 1.00 1.80 H new ATOM 0 HD13 LEU A 15 -15.776 -9.767 -1.169 1.00 1.80 H new ATOM 0 HD21 LEU A 15 -16.315 -12.762 -0.629 1.00 1.35 H new ATOM 0 HD22 LEU A 15 -14.906 -12.178 -1.546 1.00 1.35 H new ATOM 0 HD23 LEU A 15 -14.671 -13.219 -0.122 1.00 1.35 H new ATOM 249 N LYS A 16 -13.897 -10.001 -3.012 1.00 0.42 N ATOM 250 CA LYS A 16 -14.464 -9.078 -3.982 1.00 0.37 C ATOM 251 C LYS A 16 -15.935 -9.400 -4.212 1.00 0.43 C ATOM 252 O LYS A 16 -16.324 -10.567 -4.283 1.00 0.58 O ATOM 253 CB LYS A 16 -13.701 -9.122 -5.312 1.00 0.45 C ATOM 254 CG LYS A 16 -12.204 -8.855 -5.196 1.00 0.43 C ATOM 255 CD LYS A 16 -11.418 -10.120 -4.917 1.00 1.03 C ATOM 256 CE LYS A 16 -11.780 -11.257 -5.866 1.00 1.81 C ATOM 257 NZ LYS A 16 -11.204 -12.555 -5.416 1.00 2.49 N ATOM 0 H LYS A 16 -13.815 -10.965 -3.336 1.00 0.42 H new ATOM 0 HA LYS A 16 -14.374 -8.070 -3.578 1.00 0.37 H new ATOM 0 HB2 LYS A 16 -13.848 -10.101 -5.767 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -14.136 -8.387 -5.990 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -11.845 -8.402 -6.120 1.00 0.43 H new ATOM 0 HG3 LYS A 16 -12.026 -8.135 -4.398 1.00 0.43 H new ATOM 0 HD2 LYS A 16 -10.352 -9.907 -5.001 1.00 1.03 H new ATOM 0 HD3 LYS A 16 -11.600 -10.437 -3.890 1.00 1.03 H new ATOM 0 HE2 LYS A 16 -12.864 -11.344 -5.933 1.00 1.81 H new ATOM 0 HE3 LYS A 16 -11.416 -11.025 -6.867 1.00 1.81 H new ATOM 0 HZ1 LYS A 16 -11.471 -13.304 -6.086 1.00 2.49 H new ATOM 0 HZ2 LYS A 16 -10.167 -12.480 -5.376 1.00 2.49 H new ATOM 0 HZ3 LYS A 16 -11.571 -12.789 -4.471 1.00 2.49 H new ATOM 271 N GLY A 17 -16.738 -8.361 -4.358 1.00 0.33 N ATOM 272 CA GLY A 17 -18.164 -8.537 -4.516 1.00 0.39 C ATOM 273 C GLY A 17 -18.882 -7.211 -4.639 1.00 0.26 C ATOM 274 O GLY A 17 -18.244 -6.154 -4.626 1.00 0.23 O ATOM 0 H GLY A 17 -16.425 -7.390 -4.370 1.00 0.33 H new ATOM 0 HA2 GLY A 17 -18.360 -9.140 -5.402 1.00 0.39 H new ATOM 0 HA3 GLY A 17 -18.559 -9.087 -3.662 1.00 0.39 H new ATOM 278 N GLU A 18 -20.203 -7.268 -4.741 1.00 0.28 N ATOM 279 CA GLU A 18 -21.035 -6.076 -4.886 1.00 0.23 C ATOM 280 C GLU A 18 -22.340 -6.275 -4.123 1.00 0.29 C ATOM 281 O GLU A 18 -22.672 -7.401 -3.756 1.00 0.49 O ATOM 282 CB GLU A 18 -21.338 -5.830 -6.368 1.00 0.46 C ATOM 283 CG GLU A 18 -20.097 -5.729 -7.239 1.00 0.70 C ATOM 284 CD GLU A 18 -20.297 -6.350 -8.602 1.00 1.17 C ATOM 285 OE1 GLU A 18 -20.462 -5.600 -9.586 1.00 1.69 O ATOM 286 OE2 GLU A 18 -20.284 -7.596 -8.696 1.00 1.69 O ATOM 0 H GLU A 18 -20.730 -8.141 -4.726 1.00 0.28 H new ATOM 0 HA GLU A 18 -20.504 -5.214 -4.483 1.00 0.23 H new ATOM 0 HB2 GLU A 18 -21.967 -6.639 -6.740 1.00 0.46 H new ATOM 0 HB3 GLU A 18 -21.914 -4.909 -6.464 1.00 0.46 H new ATOM 0 HG2 GLU A 18 -19.824 -4.680 -7.357 1.00 0.70 H new ATOM 0 HG3 GLU A 18 -19.264 -6.221 -6.737 1.00 0.70 H new ATOM 293 N THR A 19 -23.086 -5.200 -3.902 1.00 0.22 N ATOM 294 CA THR A 19 -24.344 -5.304 -3.172 1.00 0.32 C ATOM 295 C THR A 19 -25.152 -4.008 -3.262 1.00 0.29 C ATOM 296 O THR A 19 -24.640 -2.979 -3.710 1.00 0.31 O ATOM 297 CB THR A 19 -24.083 -5.652 -1.690 1.00 0.44 C ATOM 298 OG1 THR A 19 -25.321 -5.900 -1.005 1.00 0.58 O ATOM 299 CG2 THR A 19 -23.341 -4.515 -1.000 1.00 0.45 C ATOM 0 H THR A 19 -22.847 -4.258 -4.213 1.00 0.22 H new ATOM 0 HA THR A 19 -24.924 -6.103 -3.633 1.00 0.32 H new ATOM 0 HB THR A 19 -23.470 -6.553 -1.657 1.00 0.44 H new ATOM 0 HG1 THR A 19 -25.138 -6.121 -0.068 1.00 0.58 H new ATOM 0 HG21 THR A 19 -23.165 -4.776 0.044 1.00 0.45 H new ATOM 0 HG22 THR A 19 -22.386 -4.348 -1.499 1.00 0.45 H new ATOM 0 HG23 THR A 19 -23.940 -3.606 -1.050 1.00 0.45 H new ATOM 307 N THR A 20 -26.410 -4.077 -2.832 1.00 0.27 N ATOM 308 CA THR A 20 -27.310 -2.930 -2.827 1.00 0.24 C ATOM 309 C THR A 20 -28.052 -2.844 -1.498 1.00 0.25 C ATOM 310 O THR A 20 -28.161 -3.843 -0.785 1.00 0.31 O ATOM 311 CB THR A 20 -28.336 -3.021 -3.979 1.00 0.30 C ATOM 312 OG1 THR A 20 -28.912 -4.334 -4.018 1.00 0.38 O ATOM 313 CG2 THR A 20 -27.691 -2.708 -5.325 1.00 0.32 C ATOM 0 H THR A 20 -26.834 -4.934 -2.476 1.00 0.27 H new ATOM 0 HA THR A 20 -26.705 -2.034 -2.966 1.00 0.24 H new ATOM 0 HB THR A 20 -29.114 -2.281 -3.792 1.00 0.30 H new ATOM 0 HG1 THR A 20 -29.563 -4.384 -4.749 1.00 0.38 H new ATOM 0 HG21 THR A 20 -28.440 -2.781 -6.113 1.00 0.32 H new ATOM 0 HG22 THR A 20 -27.281 -1.698 -5.306 1.00 0.32 H new ATOM 0 HG23 THR A 20 -26.890 -3.421 -5.519 1.00 0.32 H new ATOM 321 N THR A 21 -28.557 -1.661 -1.164 1.00 0.23 N ATOM 322 CA THR A 21 -29.291 -1.473 0.083 1.00 0.26 C ATOM 323 C THR A 21 -30.217 -0.268 -0.036 1.00 0.25 C ATOM 324 O THR A 21 -29.944 0.658 -0.806 1.00 0.26 O ATOM 325 CB THR A 21 -28.338 -1.284 1.297 1.00 0.31 C ATOM 326 OG1 THR A 21 -29.048 -1.535 2.519 1.00 0.38 O ATOM 327 CG2 THR A 21 -27.764 0.140 1.348 1.00 0.28 C ATOM 0 H THR A 21 -28.472 -0.821 -1.736 1.00 0.23 H new ATOM 0 HA THR A 21 -29.877 -2.375 0.258 1.00 0.26 H new ATOM 0 HB THR A 21 -27.516 -1.990 1.181 1.00 0.31 H new ATOM 0 HG1 THR A 21 -28.442 -1.416 3.280 1.00 0.38 H new ATOM 0 HG21 THR A 21 -27.103 0.235 2.209 1.00 0.28 H new ATOM 0 HG22 THR A 21 -27.202 0.339 0.435 1.00 0.28 H new ATOM 0 HG23 THR A 21 -28.579 0.858 1.436 1.00 0.28 H new ATOM 335 N GLU A 22 -31.321 -0.295 0.697 1.00 0.31 N ATOM 336 CA GLU A 22 -32.267 0.801 0.679 1.00 0.36 C ATOM 337 C GLU A 22 -31.926 1.793 1.797 1.00 0.36 C ATOM 338 O GLU A 22 -31.671 1.400 2.936 1.00 0.58 O ATOM 339 CB GLU A 22 -33.717 0.280 0.849 1.00 0.51 C ATOM 340 CG GLU A 22 -33.997 -0.378 2.202 1.00 1.16 C ATOM 341 CD GLU A 22 -33.581 -1.836 2.251 1.00 1.77 C ATOM 342 OE1 GLU A 22 -34.463 -2.716 2.219 1.00 2.26 O ATOM 343 OE2 GLU A 22 -32.363 -2.106 2.313 1.00 2.24 O ATOM 0 H GLU A 22 -31.580 -1.067 1.311 1.00 0.31 H new ATOM 0 HA GLU A 22 -32.199 1.306 -0.285 1.00 0.36 H new ATOM 0 HB2 GLU A 22 -34.408 1.112 0.714 1.00 0.51 H new ATOM 0 HB3 GLU A 22 -33.927 -0.440 0.058 1.00 0.51 H new ATOM 0 HG2 GLU A 22 -33.470 0.171 2.982 1.00 1.16 H new ATOM 0 HG3 GLU A 22 -35.062 -0.302 2.423 1.00 1.16 H new ATOM 350 N ALA A 23 -31.853 3.072 1.458 1.00 0.26 N ATOM 351 CA ALA A 23 -31.573 4.105 2.451 1.00 0.28 C ATOM 352 C ALA A 23 -32.344 5.372 2.100 1.00 0.31 C ATOM 353 O ALA A 23 -32.792 5.523 0.969 1.00 0.38 O ATOM 354 CB ALA A 23 -30.076 4.391 2.515 1.00 0.32 C ATOM 0 H ALA A 23 -31.983 3.421 0.508 1.00 0.26 H new ATOM 0 HA ALA A 23 -31.893 3.754 3.432 1.00 0.28 H new ATOM 0 HB1 ALA A 23 -29.885 5.163 3.260 1.00 0.32 H new ATOM 0 HB2 ALA A 23 -29.543 3.481 2.791 1.00 0.32 H new ATOM 0 HB3 ALA A 23 -29.729 4.733 1.540 1.00 0.32 H new ATOM 360 N VAL A 24 -32.566 6.248 3.074 1.00 0.35 N ATOM 361 CA VAL A 24 -33.270 7.498 2.812 1.00 0.45 C ATOM 362 C VAL A 24 -32.309 8.685 2.758 1.00 0.49 C ATOM 363 O VAL A 24 -32.738 9.830 2.646 1.00 0.74 O ATOM 364 CB VAL A 24 -34.361 7.772 3.868 1.00 0.56 C ATOM 365 CG1 VAL A 24 -35.498 6.775 3.729 1.00 1.05 C ATOM 366 CG2 VAL A 24 -33.780 7.724 5.274 1.00 1.09 C ATOM 0 H VAL A 24 -32.272 6.118 4.042 1.00 0.35 H new ATOM 0 HA VAL A 24 -33.745 7.384 1.838 1.00 0.45 H new ATOM 0 HB VAL A 24 -34.755 8.774 3.697 1.00 0.56 H new ATOM 0 HG11 VAL A 24 -36.258 6.983 4.482 1.00 1.05 H new ATOM 0 HG12 VAL A 24 -35.938 6.861 2.735 1.00 1.05 H new ATOM 0 HG13 VAL A 24 -35.115 5.764 3.870 1.00 1.05 H new ATOM 0 HG21 VAL A 24 -34.569 7.920 6.000 1.00 1.09 H new ATOM 0 HG22 VAL A 24 -33.354 6.738 5.458 1.00 1.09 H new ATOM 0 HG23 VAL A 24 -33.001 8.480 5.372 1.00 1.09 H new ATOM 376 N ASP A 25 -31.011 8.399 2.814 1.00 0.39 N ATOM 377 CA ASP A 25 -29.982 9.435 2.775 1.00 0.45 C ATOM 378 C ASP A 25 -28.626 8.799 2.492 1.00 0.39 C ATOM 379 O ASP A 25 -28.441 7.601 2.708 1.00 0.35 O ATOM 380 CB ASP A 25 -29.933 10.210 4.098 1.00 0.54 C ATOM 381 CG ASP A 25 -28.942 11.360 4.072 1.00 1.25 C ATOM 382 OD1 ASP A 25 -29.292 12.445 3.561 1.00 1.51 O ATOM 383 OD2 ASP A 25 -27.807 11.185 4.566 1.00 2.13 O ATOM 0 H ASP A 25 -30.644 7.450 2.887 1.00 0.39 H new ATOM 0 HA ASP A 25 -30.228 10.138 1.979 1.00 0.45 H new ATOM 0 HB2 ASP A 25 -30.926 10.598 4.323 1.00 0.54 H new ATOM 0 HB3 ASP A 25 -29.668 9.526 4.904 1.00 0.54 H new ATOM 388 N ALA A 26 -27.683 9.606 2.031 1.00 0.44 N ATOM 389 CA ALA A 26 -26.354 9.123 1.686 1.00 0.46 C ATOM 390 C ALA A 26 -25.554 8.752 2.935 1.00 0.38 C ATOM 391 O ALA A 26 -25.008 7.652 3.030 1.00 0.37 O ATOM 392 CB ALA A 26 -25.614 10.175 0.867 1.00 0.59 C ATOM 0 H ALA A 26 -27.815 10.607 1.886 1.00 0.44 H new ATOM 0 HA ALA A 26 -26.465 8.219 1.087 1.00 0.46 H new ATOM 0 HB1 ALA A 26 -24.620 9.806 0.613 1.00 0.59 H new ATOM 0 HB2 ALA A 26 -26.170 10.381 -0.048 1.00 0.59 H new ATOM 0 HB3 ALA A 26 -25.522 11.092 1.450 1.00 0.59 H new ATOM 398 N ALA A 27 -25.574 9.630 3.932 1.00 0.39 N ATOM 399 CA ALA A 27 -24.809 9.412 5.156 1.00 0.38 C ATOM 400 C ALA A 27 -25.341 8.205 5.920 1.00 0.31 C ATOM 401 O ALA A 27 -24.613 7.557 6.671 1.00 0.32 O ATOM 402 CB ALA A 27 -24.833 10.658 6.032 1.00 0.48 C ATOM 0 H ALA A 27 -26.110 10.498 3.918 1.00 0.39 H new ATOM 0 HA ALA A 27 -23.775 9.208 4.879 1.00 0.38 H new ATOM 0 HB1 ALA A 27 -24.257 10.476 6.940 1.00 0.48 H new ATOM 0 HB2 ALA A 27 -24.396 11.495 5.487 1.00 0.48 H new ATOM 0 HB3 ALA A 27 -25.863 10.896 6.297 1.00 0.48 H new ATOM 408 N THR A 28 -26.608 7.894 5.700 1.00 0.31 N ATOM 409 CA THR A 28 -27.235 6.752 6.344 1.00 0.30 C ATOM 410 C THR A 28 -26.772 5.446 5.698 1.00 0.24 C ATOM 411 O THR A 28 -26.654 4.418 6.367 1.00 0.28 O ATOM 412 CB THR A 28 -28.776 6.846 6.272 1.00 0.36 C ATOM 413 OG1 THR A 28 -29.197 8.179 6.591 1.00 0.46 O ATOM 414 CG2 THR A 28 -29.427 5.867 7.244 1.00 0.45 C ATOM 0 H THR A 28 -27.224 8.418 5.078 1.00 0.31 H new ATOM 0 HA THR A 28 -26.933 6.761 7.391 1.00 0.30 H new ATOM 0 HB THR A 28 -29.086 6.592 5.258 1.00 0.36 H new ATOM 0 HG1 THR A 28 -30.151 8.278 6.389 1.00 0.46 H new ATOM 0 HG21 THR A 28 -30.511 5.952 7.175 1.00 0.45 H new ATOM 0 HG22 THR A 28 -29.126 4.850 6.992 1.00 0.45 H new ATOM 0 HG23 THR A 28 -29.109 6.098 8.261 1.00 0.45 H new ATOM 422 N ALA A 29 -26.409 5.522 4.421 1.00 0.21 N ATOM 423 CA ALA A 29 -25.993 4.342 3.676 1.00 0.22 C ATOM 424 C ALA A 29 -24.588 3.931 4.089 1.00 0.21 C ATOM 425 O ALA A 29 -24.286 2.743 4.210 1.00 0.25 O ATOM 426 CB ALA A 29 -26.054 4.609 2.179 1.00 0.28 C ATOM 0 H ALA A 29 -26.395 6.388 3.882 1.00 0.21 H new ATOM 0 HA ALA A 29 -26.676 3.524 3.905 1.00 0.22 H new ATOM 0 HB1 ALA A 29 -25.740 3.717 1.637 1.00 0.28 H new ATOM 0 HB2 ALA A 29 -27.075 4.864 1.896 1.00 0.28 H new ATOM 0 HB3 ALA A 29 -25.391 5.437 1.930 1.00 0.28 H new ATOM 432 N GLU A 30 -23.747 4.939 4.312 1.00 0.19 N ATOM 433 CA GLU A 30 -22.375 4.735 4.754 1.00 0.20 C ATOM 434 C GLU A 30 -22.353 3.898 6.028 1.00 0.20 C ATOM 435 O GLU A 30 -21.841 2.786 6.040 1.00 0.23 O ATOM 436 CB GLU A 30 -21.718 6.087 5.044 1.00 0.24 C ATOM 437 CG GLU A 30 -20.206 6.010 5.145 1.00 0.35 C ATOM 438 CD GLU A 30 -19.629 7.077 6.056 1.00 0.50 C ATOM 439 OE1 GLU A 30 -19.401 8.210 5.585 1.00 1.14 O ATOM 440 OE2 GLU A 30 -19.394 6.782 7.248 1.00 1.29 O ATOM 0 H GLU A 30 -24.001 5.919 4.190 1.00 0.19 H new ATOM 0 HA GLU A 30 -21.830 4.217 3.965 1.00 0.20 H new ATOM 0 HB2 GLU A 30 -21.987 6.790 4.256 1.00 0.24 H new ATOM 0 HB3 GLU A 30 -22.118 6.485 5.977 1.00 0.24 H new ATOM 0 HG2 GLU A 30 -19.920 5.026 5.517 1.00 0.35 H new ATOM 0 HG3 GLU A 30 -19.773 6.113 4.150 1.00 0.35 H new ATOM 447 N LYS A 31 -23.005 4.420 7.065 1.00 0.20 N ATOM 448 CA LYS A 31 -23.041 3.789 8.386 1.00 0.24 C ATOM 449 C LYS A 31 -23.462 2.318 8.315 1.00 0.22 C ATOM 450 O LYS A 31 -22.918 1.479 9.035 1.00 0.26 O ATOM 451 CB LYS A 31 -24.004 4.555 9.298 1.00 0.29 C ATOM 452 CG LYS A 31 -23.713 6.046 9.396 1.00 0.39 C ATOM 453 CD LYS A 31 -22.420 6.321 10.151 1.00 1.10 C ATOM 454 CE LYS A 31 -22.132 7.813 10.224 1.00 1.86 C ATOM 455 NZ LYS A 31 -21.027 8.137 11.168 1.00 2.42 N ATOM 0 H LYS A 31 -23.526 5.296 7.014 1.00 0.20 H new ATOM 0 HA LYS A 31 -22.030 3.823 8.792 1.00 0.24 H new ATOM 0 HB2 LYS A 31 -25.021 4.418 8.932 1.00 0.29 H new ATOM 0 HB3 LYS A 31 -23.964 4.121 10.297 1.00 0.29 H new ATOM 0 HG2 LYS A 31 -23.646 6.470 8.394 1.00 0.39 H new ATOM 0 HG3 LYS A 31 -24.541 6.546 9.899 1.00 0.39 H new ATOM 0 HD2 LYS A 31 -22.490 5.912 11.159 1.00 1.10 H new ATOM 0 HD3 LYS A 31 -21.592 5.812 9.657 1.00 1.10 H new ATOM 0 HE2 LYS A 31 -21.875 8.179 9.230 1.00 1.86 H new ATOM 0 HE3 LYS A 31 -23.035 8.339 10.533 1.00 1.86 H new ATOM 0 HZ1 LYS A 31 -20.871 9.165 11.180 1.00 2.42 H new ATOM 0 HZ2 LYS A 31 -21.281 7.814 12.123 1.00 2.42 H new ATOM 0 HZ3 LYS A 31 -20.156 7.659 10.861 1.00 2.42 H new ATOM 469 N VAL A 32 -24.416 2.006 7.443 1.00 0.20 N ATOM 470 CA VAL A 32 -24.906 0.637 7.305 1.00 0.22 C ATOM 471 C VAL A 32 -23.908 -0.228 6.542 1.00 0.18 C ATOM 472 O VAL A 32 -23.432 -1.242 7.055 1.00 0.20 O ATOM 473 CB VAL A 32 -26.270 0.591 6.584 1.00 0.25 C ATOM 474 CG1 VAL A 32 -26.729 -0.847 6.382 1.00 0.30 C ATOM 475 CG2 VAL A 32 -27.308 1.393 7.352 1.00 0.29 C ATOM 0 H VAL A 32 -24.865 2.680 6.823 1.00 0.20 H new ATOM 0 HA VAL A 32 -25.029 0.244 8.314 1.00 0.22 H new ATOM 0 HB VAL A 32 -26.152 1.044 5.600 1.00 0.25 H new ATOM 0 HG11 VAL A 32 -27.692 -0.853 5.872 1.00 0.30 H new ATOM 0 HG12 VAL A 32 -25.996 -1.382 5.779 1.00 0.30 H new ATOM 0 HG13 VAL A 32 -26.828 -1.337 7.351 1.00 0.30 H new ATOM 0 HG21 VAL A 32 -28.263 1.349 6.828 1.00 0.29 H new ATOM 0 HG22 VAL A 32 -27.423 0.976 8.352 1.00 0.29 H new ATOM 0 HG23 VAL A 32 -26.983 2.431 7.427 1.00 0.29 H new ATOM 485 N PHE A 33 -23.557 0.204 5.334 1.00 0.16 N ATOM 486 CA PHE A 33 -22.613 -0.542 4.495 1.00 0.15 C ATOM 487 C PHE A 33 -21.244 -0.684 5.159 1.00 0.15 C ATOM 488 O PHE A 33 -20.497 -1.605 4.846 1.00 0.17 O ATOM 489 CB PHE A 33 -22.440 0.116 3.120 1.00 0.17 C ATOM 490 CG PHE A 33 -23.353 -0.406 2.042 1.00 0.17 C ATOM 491 CD1 PHE A 33 -23.841 -1.700 2.091 1.00 1.09 C ATOM 492 CD2 PHE A 33 -23.694 0.394 0.958 1.00 1.01 C ATOM 493 CE1 PHE A 33 -24.652 -2.187 1.085 1.00 1.11 C ATOM 494 CE2 PHE A 33 -24.510 -0.086 -0.049 1.00 1.02 C ATOM 495 CZ PHE A 33 -24.987 -1.381 0.013 1.00 0.29 C ATOM 0 H PHE A 33 -23.909 1.063 4.912 1.00 0.16 H new ATOM 0 HA PHE A 33 -23.042 -1.535 4.365 1.00 0.15 H new ATOM 0 HB2 PHE A 33 -22.603 1.189 3.225 1.00 0.17 H new ATOM 0 HB3 PHE A 33 -21.408 -0.019 2.797 1.00 0.17 H new ATOM 0 HD1 PHE A 33 -23.585 -2.336 2.925 1.00 1.09 H new ATOM 0 HD2 PHE A 33 -23.316 1.404 0.902 1.00 1.01 H new ATOM 0 HE1 PHE A 33 -25.025 -3.199 1.136 1.00 1.11 H new ATOM 0 HE2 PHE A 33 -24.774 0.549 -0.882 1.00 1.02 H new ATOM 0 HZ PHE A 33 -25.620 -1.763 -0.774 1.00 0.29 H new ATOM 505 N LYS A 34 -20.900 0.225 6.057 1.00 0.16 N ATOM 506 CA LYS A 34 -19.627 0.158 6.744 1.00 0.20 C ATOM 507 C LYS A 34 -19.603 -1.008 7.720 1.00 0.20 C ATOM 508 O LYS A 34 -18.601 -1.707 7.828 1.00 0.22 O ATOM 509 CB LYS A 34 -19.344 1.481 7.453 1.00 0.29 C ATOM 510 CG LYS A 34 -18.892 2.581 6.503 1.00 0.43 C ATOM 511 CD LYS A 34 -18.128 3.681 7.229 1.00 0.38 C ATOM 512 CE LYS A 34 -16.821 3.157 7.794 1.00 0.46 C ATOM 513 NZ LYS A 34 -15.970 4.244 8.345 1.00 1.09 N ATOM 0 H LYS A 34 -21.486 1.016 6.325 1.00 0.16 H new ATOM 0 HA LYS A 34 -18.839 -0.011 6.010 1.00 0.20 H new ATOM 0 HB2 LYS A 34 -20.244 1.807 7.975 1.00 0.29 H new ATOM 0 HB3 LYS A 34 -18.576 1.324 8.210 1.00 0.29 H new ATOM 0 HG2 LYS A 34 -18.259 2.152 5.726 1.00 0.43 H new ATOM 0 HG3 LYS A 34 -19.761 3.011 6.005 1.00 0.43 H new ATOM 0 HD2 LYS A 34 -17.927 4.503 6.542 1.00 0.38 H new ATOM 0 HD3 LYS A 34 -18.741 4.083 8.036 1.00 0.38 H new ATOM 0 HE2 LYS A 34 -17.032 2.430 8.579 1.00 0.46 H new ATOM 0 HE3 LYS A 34 -16.274 2.631 7.011 1.00 0.46 H new ATOM 0 HZ1 LYS A 34 -15.088 3.839 8.719 1.00 1.09 H new ATOM 0 HZ2 LYS A 34 -15.745 4.925 7.592 1.00 1.09 H new ATOM 0 HZ3 LYS A 34 -16.480 4.730 9.110 1.00 1.09 H new ATOM 527 N GLN A 35 -20.716 -1.235 8.406 1.00 0.21 N ATOM 528 CA GLN A 35 -20.830 -2.378 9.306 1.00 0.24 C ATOM 529 C GLN A 35 -20.909 -3.657 8.470 1.00 0.21 C ATOM 530 O GLN A 35 -20.402 -4.712 8.854 1.00 0.24 O ATOM 531 CB GLN A 35 -22.061 -2.232 10.216 1.00 0.32 C ATOM 532 CG GLN A 35 -22.152 -3.284 11.313 1.00 0.43 C ATOM 533 CD GLN A 35 -20.951 -3.265 12.243 1.00 1.28 C ATOM 534 OE1 GLN A 35 -19.964 -3.962 12.014 1.00 2.20 O ATOM 535 NE2 GLN A 35 -21.023 -2.466 13.297 1.00 1.82 N ATOM 0 H GLN A 35 -21.548 -0.647 8.358 1.00 0.21 H new ATOM 0 HA GLN A 35 -19.954 -2.426 9.953 1.00 0.24 H new ATOM 0 HB2 GLN A 35 -22.044 -1.244 10.676 1.00 0.32 H new ATOM 0 HB3 GLN A 35 -22.961 -2.283 9.603 1.00 0.32 H new ATOM 0 HG2 GLN A 35 -23.059 -3.120 11.894 1.00 0.43 H new ATOM 0 HG3 GLN A 35 -22.239 -4.271 10.858 1.00 0.43 H new ATOM 0 HE21 GLN A 35 -21.859 -1.903 13.454 1.00 1.82 H new ATOM 0 HE22 GLN A 35 -20.243 -2.414 13.952 1.00 1.82 H new ATOM 544 N TYR A 36 -21.492 -3.514 7.280 1.00 0.19 N ATOM 545 CA TYR A 36 -21.585 -4.600 6.311 1.00 0.18 C ATOM 546 C TYR A 36 -20.187 -5.018 5.861 1.00 0.17 C ATOM 547 O TYR A 36 -19.820 -6.194 5.909 1.00 0.19 O ATOM 548 CB TYR A 36 -22.407 -4.130 5.107 1.00 0.19 C ATOM 549 CG TYR A 36 -22.214 -4.967 3.864 1.00 0.21 C ATOM 550 CD1 TYR A 36 -22.636 -6.291 3.797 1.00 1.21 C ATOM 551 CD2 TYR A 36 -21.596 -4.417 2.755 1.00 1.11 C ATOM 552 CE1 TYR A 36 -22.442 -7.039 2.649 1.00 1.24 C ATOM 553 CE2 TYR A 36 -21.398 -5.151 1.609 1.00 1.12 C ATOM 554 CZ TYR A 36 -21.822 -6.464 1.557 1.00 0.34 C ATOM 555 OH TYR A 36 -21.632 -7.203 0.409 1.00 0.42 O ATOM 0 H TYR A 36 -21.913 -2.641 6.963 1.00 0.19 H new ATOM 0 HA TYR A 36 -22.074 -5.459 6.771 1.00 0.18 H new ATOM 0 HB2 TYR A 36 -23.463 -4.137 5.377 1.00 0.19 H new ATOM 0 HB3 TYR A 36 -22.143 -3.097 4.881 1.00 0.19 H new ATOM 0 HD1 TYR A 36 -23.121 -6.740 4.651 1.00 1.21 H new ATOM 0 HD2 TYR A 36 -21.262 -3.390 2.790 1.00 1.11 H new ATOM 0 HE1 TYR A 36 -22.773 -8.066 2.607 1.00 1.24 H new ATOM 0 HE2 TYR A 36 -20.913 -4.703 0.754 1.00 1.12 H new ATOM 0 HH TYR A 36 -21.409 -6.603 -0.333 1.00 0.42 H new ATOM 565 N ALA A 37 -19.416 -4.036 5.418 1.00 0.15 N ATOM 566 CA ALA A 37 -18.055 -4.262 4.968 1.00 0.16 C ATOM 567 C ALA A 37 -17.184 -4.740 6.131 1.00 0.18 C ATOM 568 O ALA A 37 -16.310 -5.591 5.963 1.00 0.22 O ATOM 569 CB ALA A 37 -17.496 -2.977 4.376 1.00 0.17 C ATOM 0 H ALA A 37 -19.717 -3.063 5.361 1.00 0.15 H new ATOM 0 HA ALA A 37 -18.054 -5.036 4.201 1.00 0.16 H new ATOM 0 HB1 ALA A 37 -16.474 -3.147 4.038 1.00 0.17 H new ATOM 0 HB2 ALA A 37 -18.111 -2.668 3.531 1.00 0.17 H new ATOM 0 HB3 ALA A 37 -17.502 -2.194 5.134 1.00 0.17 H new ATOM 575 N ASN A 38 -17.481 -4.217 7.321 1.00 0.20 N ATOM 576 CA ASN A 38 -16.736 -4.548 8.543 1.00 0.26 C ATOM 577 C ASN A 38 -16.819 -6.041 8.857 1.00 0.28 C ATOM 578 O ASN A 38 -15.820 -6.656 9.228 1.00 0.36 O ATOM 579 CB ASN A 38 -17.262 -3.725 9.739 1.00 0.31 C ATOM 580 CG ASN A 38 -16.491 -4.007 11.024 1.00 0.44 C ATOM 581 OD1 ASN A 38 -15.459 -3.391 11.284 1.00 1.03 O ATOM 582 ND2 ASN A 38 -17.006 -4.910 11.854 1.00 1.39 N ATOM 0 H ASN A 38 -18.242 -3.554 7.468 1.00 0.20 H new ATOM 0 HA ASN A 38 -15.690 -4.294 8.371 1.00 0.26 H new ATOM 0 HB2 ASN A 38 -17.194 -2.663 9.503 1.00 0.31 H new ATOM 0 HB3 ASN A 38 -18.317 -3.950 9.895 1.00 0.31 H new ATOM 0 HD21 ASN A 38 -16.543 -5.111 12.740 1.00 1.39 H new ATOM 0 HD22 ASN A 38 -17.864 -5.401 11.604 1.00 1.39 H new ATOM 589 N ASP A 39 -17.996 -6.621 8.663 1.00 0.30 N ATOM 590 CA ASP A 39 -18.213 -8.044 8.921 1.00 0.38 C ATOM 591 C ASP A 39 -17.365 -8.907 7.985 1.00 0.33 C ATOM 592 O ASP A 39 -16.937 -10.005 8.348 1.00 0.41 O ATOM 593 CB ASP A 39 -19.696 -8.391 8.760 1.00 0.53 C ATOM 594 CG ASP A 39 -19.985 -9.862 9.002 1.00 1.14 C ATOM 595 OD1 ASP A 39 -20.124 -10.618 8.017 1.00 1.78 O ATOM 596 OD2 ASP A 39 -20.058 -10.270 10.180 1.00 1.77 O ATOM 0 H ASP A 39 -18.822 -6.127 8.326 1.00 0.30 H new ATOM 0 HA ASP A 39 -17.908 -8.253 9.946 1.00 0.38 H new ATOM 0 HB2 ASP A 39 -20.283 -7.791 9.456 1.00 0.53 H new ATOM 0 HB3 ASP A 39 -20.020 -8.122 7.755 1.00 0.53 H new ATOM 601 N ASN A 40 -17.061 -8.372 6.809 1.00 0.28 N ATOM 602 CA ASN A 40 -16.260 -9.088 5.825 1.00 0.34 C ATOM 603 C ASN A 40 -14.790 -8.697 5.939 1.00 0.32 C ATOM 604 O ASN A 40 -13.937 -9.239 5.238 1.00 0.46 O ATOM 605 CB ASN A 40 -16.769 -8.806 4.409 1.00 0.42 C ATOM 606 CG ASN A 40 -17.964 -9.672 4.037 1.00 0.92 C ATOM 607 OD1 ASN A 40 -17.800 -10.804 3.577 1.00 1.78 O ATOM 608 ND2 ASN A 40 -19.171 -9.143 4.209 1.00 0.78 N ATOM 0 H ASN A 40 -17.358 -7.442 6.513 1.00 0.28 H new ATOM 0 HA ASN A 40 -16.353 -10.155 6.025 1.00 0.34 H new ATOM 0 HB2 ASN A 40 -17.047 -7.755 4.329 1.00 0.42 H new ATOM 0 HB3 ASN A 40 -15.963 -8.978 3.695 1.00 0.42 H new ATOM 0 HD21 ASN A 40 -20.003 -9.677 3.957 1.00 0.78 H new ATOM 0 HD22 ASN A 40 -19.266 -8.203 4.593 1.00 0.78 H new ATOM 615 N GLY A 41 -14.505 -7.748 6.826 1.00 0.25 N ATOM 616 CA GLY A 41 -13.141 -7.296 7.025 1.00 0.33 C ATOM 617 C GLY A 41 -12.658 -6.405 5.903 1.00 0.28 C ATOM 618 O GLY A 41 -11.458 -6.297 5.657 1.00 0.37 O ATOM 0 H GLY A 41 -15.198 -7.283 7.412 1.00 0.25 H new ATOM 0 HA2 GLY A 41 -13.075 -6.755 7.969 1.00 0.33 H new ATOM 0 HA3 GLY A 41 -12.483 -8.161 7.107 1.00 0.33 H new ATOM 622 N VAL A 42 -13.590 -5.769 5.216 1.00 0.23 N ATOM 623 CA VAL A 42 -13.251 -4.904 4.117 1.00 0.26 C ATOM 624 C VAL A 42 -13.392 -3.446 4.523 1.00 0.36 C ATOM 625 O VAL A 42 -14.498 -2.927 4.664 1.00 0.46 O ATOM 626 CB VAL A 42 -14.124 -5.214 2.890 1.00 0.28 C ATOM 627 CG1 VAL A 42 -13.819 -4.256 1.754 1.00 0.35 C ATOM 628 CG2 VAL A 42 -13.881 -6.642 2.451 1.00 0.29 C ATOM 0 H VAL A 42 -14.590 -5.840 5.406 1.00 0.23 H new ATOM 0 HA VAL A 42 -12.211 -5.086 3.847 1.00 0.26 H new ATOM 0 HB VAL A 42 -15.172 -5.090 3.162 1.00 0.28 H new ATOM 0 HG11 VAL A 42 -14.449 -4.495 0.897 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -14.018 -3.234 2.077 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -12.771 -4.349 1.471 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -14.499 -6.865 1.581 1.00 0.29 H new ATOM 0 HG22 VAL A 42 -12.830 -6.769 2.192 1.00 0.29 H new ATOM 0 HG23 VAL A 42 -14.139 -7.321 3.263 1.00 0.29 H new ATOM 638 N ASP A 43 -12.269 -2.831 4.830 1.00 0.42 N ATOM 639 CA ASP A 43 -12.251 -1.424 5.203 1.00 0.55 C ATOM 640 C ASP A 43 -11.128 -0.711 4.452 1.00 0.47 C ATOM 641 O ASP A 43 -9.997 -1.205 4.381 1.00 0.68 O ATOM 642 CB ASP A 43 -12.108 -1.238 6.739 1.00 0.80 C ATOM 643 CG ASP A 43 -10.759 -1.668 7.281 1.00 1.29 C ATOM 644 OD1 ASP A 43 -10.549 -2.879 7.494 1.00 1.86 O ATOM 645 OD2 ASP A 43 -9.910 -0.786 7.526 1.00 1.80 O ATOM 0 H ASP A 43 -11.353 -3.280 4.830 1.00 0.42 H new ATOM 0 HA ASP A 43 -13.205 -0.979 4.921 1.00 0.55 H new ATOM 0 HB2 ASP A 43 -12.271 -0.189 6.986 1.00 0.80 H new ATOM 0 HB3 ASP A 43 -12.890 -1.809 7.240 1.00 0.80 H new ATOM 650 N GLY A 44 -11.439 0.464 3.905 1.00 0.43 N ATOM 651 CA GLY A 44 -10.495 1.189 3.085 1.00 0.37 C ATOM 652 C GLY A 44 -11.031 2.554 2.715 1.00 0.34 C ATOM 653 O GLY A 44 -11.961 3.043 3.352 1.00 0.38 O ATOM 0 H GLY A 44 -12.341 0.927 4.021 1.00 0.43 H new ATOM 0 HA2 GLY A 44 -9.552 1.298 3.621 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -10.283 0.620 2.180 1.00 0.37 H new ATOM 657 N GLU A 45 -10.362 3.223 1.785 1.00 0.34 N ATOM 658 CA GLU A 45 -10.786 4.547 1.328 1.00 0.35 C ATOM 659 C GLU A 45 -12.197 4.498 0.750 1.00 0.29 C ATOM 660 O GLU A 45 -12.556 3.558 0.039 1.00 0.43 O ATOM 661 CB GLU A 45 -9.799 5.093 0.290 1.00 0.45 C ATOM 662 CG GLU A 45 -8.583 5.785 0.894 1.00 1.27 C ATOM 663 CD GLU A 45 -7.893 4.946 1.948 1.00 2.01 C ATOM 664 OE1 GLU A 45 -8.185 5.133 3.148 1.00 2.79 O ATOM 665 OE2 GLU A 45 -7.059 4.091 1.587 1.00 2.57 O ATOM 0 H GLU A 45 -9.520 2.872 1.329 1.00 0.34 H new ATOM 0 HA GLU A 45 -10.796 5.218 2.187 1.00 0.35 H new ATOM 0 HB2 GLU A 45 -9.460 4.272 -0.341 1.00 0.45 H new ATOM 0 HB3 GLU A 45 -10.321 5.798 -0.357 1.00 0.45 H new ATOM 0 HG2 GLU A 45 -7.873 6.019 0.101 1.00 1.27 H new ATOM 0 HG3 GLU A 45 -8.892 6.732 1.335 1.00 1.27 H new ATOM 672 N TRP A 46 -12.980 5.531 1.030 1.00 0.22 N ATOM 673 CA TRP A 46 -14.371 5.568 0.588 1.00 0.24 C ATOM 674 C TRP A 46 -14.601 6.663 -0.441 1.00 0.28 C ATOM 675 O TRP A 46 -14.296 7.830 -0.210 1.00 0.41 O ATOM 676 CB TRP A 46 -15.339 5.749 1.775 1.00 0.31 C ATOM 677 CG TRP A 46 -15.755 4.447 2.406 1.00 0.29 C ATOM 678 CD1 TRP A 46 -14.921 3.536 2.987 1.00 0.32 C ATOM 679 CD2 TRP A 46 -17.088 3.901 2.535 1.00 0.28 C ATOM 680 NE1 TRP A 46 -15.634 2.462 3.449 1.00 0.34 N ATOM 681 CE2 TRP A 46 -16.958 2.657 3.186 1.00 0.31 C ATOM 682 CE3 TRP A 46 -18.376 4.319 2.156 1.00 0.29 C ATOM 683 CZ2 TRP A 46 -18.047 1.847 3.478 1.00 0.35 C ATOM 684 CZ3 TRP A 46 -19.456 3.505 2.456 1.00 0.32 C ATOM 685 CH2 TRP A 46 -19.281 2.282 3.104 1.00 0.35 C ATOM 0 H TRP A 46 -12.680 6.351 1.558 1.00 0.22 H new ATOM 0 HA TRP A 46 -14.577 4.606 0.120 1.00 0.24 H new ATOM 0 HB2 TRP A 46 -14.864 6.376 2.530 1.00 0.31 H new ATOM 0 HB3 TRP A 46 -16.228 6.280 1.433 1.00 0.31 H new ATOM 0 HD1 TRP A 46 -13.850 3.647 3.071 1.00 0.32 H new ATOM 0 HE1 TRP A 46 -15.238 1.646 3.916 1.00 0.34 H new ATOM 0 HE3 TRP A 46 -18.521 5.257 1.641 1.00 0.29 H new ATOM 0 HZ2 TRP A 46 -17.919 0.902 3.986 1.00 0.35 H new ATOM 0 HZ3 TRP A 46 -20.451 3.823 2.183 1.00 0.32 H new ATOM 0 HH2 TRP A 46 -20.144 1.667 3.313 1.00 0.35 H new ATOM 696 N THR A 47 -15.143 6.270 -1.581 1.00 0.29 N ATOM 697 CA THR A 47 -15.454 7.204 -2.646 1.00 0.35 C ATOM 698 C THR A 47 -16.928 7.087 -3.024 1.00 0.31 C ATOM 699 O THR A 47 -17.542 6.036 -2.810 1.00 0.28 O ATOM 700 CB THR A 47 -14.564 6.951 -3.880 1.00 0.43 C ATOM 701 OG1 THR A 47 -14.496 5.546 -4.161 1.00 0.53 O ATOM 702 CG2 THR A 47 -13.161 7.497 -3.660 1.00 0.63 C ATOM 0 H THR A 47 -15.378 5.300 -1.792 1.00 0.29 H new ATOM 0 HA THR A 47 -15.255 8.214 -2.288 1.00 0.35 H new ATOM 0 HB THR A 47 -15.009 7.469 -4.729 1.00 0.43 H new ATOM 0 HG1 THR A 47 -13.930 5.397 -4.947 1.00 0.53 H new ATOM 0 HG21 THR A 47 -12.553 7.306 -4.545 1.00 0.63 H new ATOM 0 HG22 THR A 47 -13.213 8.571 -3.480 1.00 0.63 H new ATOM 0 HG23 THR A 47 -12.711 7.006 -2.797 1.00 0.63 H new ATOM 710 N TYR A 48 -17.489 8.145 -3.594 1.00 0.38 N ATOM 711 CA TYR A 48 -18.911 8.144 -3.947 1.00 0.37 C ATOM 712 C TYR A 48 -19.140 8.807 -5.298 1.00 0.42 C ATOM 713 O TYR A 48 -18.495 9.808 -5.623 1.00 0.51 O ATOM 714 CB TYR A 48 -19.760 8.835 -2.852 1.00 0.41 C ATOM 715 CG TYR A 48 -21.230 9.015 -3.216 1.00 0.44 C ATOM 716 CD1 TYR A 48 -21.741 10.237 -3.673 1.00 1.14 C ATOM 717 CD2 TYR A 48 -22.113 7.947 -3.104 1.00 1.15 C ATOM 718 CE1 TYR A 48 -23.078 10.372 -3.995 1.00 1.18 C ATOM 719 CE2 TYR A 48 -23.449 8.082 -3.427 1.00 1.18 C ATOM 720 CZ TYR A 48 -23.923 9.293 -3.870 1.00 0.61 C ATOM 721 OH TYR A 48 -25.252 9.427 -4.185 1.00 0.70 O ATOM 0 H TYR A 48 -16.993 9.007 -3.821 1.00 0.38 H new ATOM 0 HA TYR A 48 -19.231 7.105 -4.018 1.00 0.37 H new ATOM 0 HB2 TYR A 48 -19.694 8.250 -1.935 1.00 0.41 H new ATOM 0 HB3 TYR A 48 -19.329 9.813 -2.638 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -21.081 11.085 -3.775 1.00 1.14 H new ATOM 0 HD2 TYR A 48 -21.747 6.992 -2.757 1.00 1.15 H new ATOM 0 HE1 TYR A 48 -23.458 11.321 -4.343 1.00 1.18 H new ATOM 0 HE2 TYR A 48 -24.118 7.240 -3.332 1.00 1.18 H new ATOM 0 HH TYR A 48 -25.356 10.106 -4.884 1.00 0.70 H new ATOM 731 N ASP A 49 -20.041 8.240 -6.093 1.00 0.42 N ATOM 732 CA ASP A 49 -20.372 8.814 -7.392 1.00 0.51 C ATOM 733 C ASP A 49 -21.845 9.217 -7.391 1.00 0.53 C ATOM 734 O ASP A 49 -22.657 8.610 -6.690 1.00 0.55 O ATOM 735 CB ASP A 49 -20.092 7.809 -8.536 1.00 0.57 C ATOM 736 CG ASP A 49 -20.945 6.571 -8.470 1.00 1.22 C ATOM 737 OD1 ASP A 49 -20.392 5.463 -8.334 1.00 2.07 O ATOM 738 OD2 ASP A 49 -22.183 6.715 -8.510 1.00 1.52 O ATOM 0 H ASP A 49 -20.553 7.388 -5.862 1.00 0.42 H new ATOM 0 HA ASP A 49 -19.746 9.690 -7.564 1.00 0.51 H new ATOM 0 HB2 ASP A 49 -20.258 8.304 -9.493 1.00 0.57 H new ATOM 0 HB3 ASP A 49 -19.042 7.519 -8.505 1.00 0.57 H new ATOM 743 N ASP A 50 -22.183 10.290 -8.093 1.00 0.68 N ATOM 744 CA ASP A 50 -23.579 10.737 -8.150 1.00 0.76 C ATOM 745 C ASP A 50 -24.254 10.117 -9.368 1.00 0.73 C ATOM 746 O ASP A 50 -25.453 9.821 -9.361 1.00 0.84 O ATOM 747 CB ASP A 50 -23.666 12.276 -8.210 1.00 1.00 C ATOM 748 CG ASP A 50 -25.072 12.806 -7.980 1.00 1.56 C ATOM 749 OD1 ASP A 50 -25.983 12.482 -8.768 1.00 2.28 O ATOM 750 OD2 ASP A 50 -25.263 13.571 -7.012 1.00 2.15 O ATOM 0 H ASP A 50 -21.527 10.862 -8.624 1.00 0.68 H new ATOM 0 HA ASP A 50 -24.092 10.413 -7.244 1.00 0.76 H new ATOM 0 HB2 ASP A 50 -22.998 12.701 -7.461 1.00 1.00 H new ATOM 0 HB3 ASP A 50 -23.311 12.616 -9.183 1.00 1.00 H new ATOM 755 N ALA A 51 -23.442 9.846 -10.381 1.00 0.70 N ATOM 756 CA ALA A 51 -23.919 9.304 -11.650 1.00 0.78 C ATOM 757 C ALA A 51 -24.614 7.957 -11.486 1.00 0.75 C ATOM 758 O ALA A 51 -25.598 7.673 -12.172 1.00 0.91 O ATOM 759 CB ALA A 51 -22.761 9.180 -12.638 1.00 0.91 C ATOM 0 H ALA A 51 -22.434 9.995 -10.348 1.00 0.70 H new ATOM 0 HA ALA A 51 -24.660 10.003 -12.038 1.00 0.78 H new ATOM 0 HB1 ALA A 51 -23.129 8.775 -13.581 1.00 0.91 H new ATOM 0 HB2 ALA A 51 -22.324 10.163 -12.812 1.00 0.91 H new ATOM 0 HB3 ALA A 51 -22.003 8.513 -12.228 1.00 0.91 H new ATOM 765 N THR A 52 -24.125 7.128 -10.580 1.00 0.63 N ATOM 766 CA THR A 52 -24.726 5.811 -10.399 1.00 0.65 C ATOM 767 C THR A 52 -25.019 5.500 -8.916 1.00 0.55 C ATOM 768 O THR A 52 -25.349 4.362 -8.575 1.00 0.62 O ATOM 769 CB THR A 52 -23.889 4.684 -11.078 1.00 0.74 C ATOM 770 OG1 THR A 52 -24.590 3.442 -11.056 1.00 1.06 O ATOM 771 CG2 THR A 52 -22.549 4.500 -10.436 1.00 1.19 C ATOM 0 H THR A 52 -23.333 7.332 -9.970 1.00 0.63 H new ATOM 0 HA THR A 52 -25.689 5.838 -10.909 1.00 0.65 H new ATOM 0 HB THR A 52 -23.733 5.002 -12.109 1.00 0.74 H new ATOM 0 HG1 THR A 52 -23.946 2.703 -11.055 1.00 1.06 H new ATOM 0 HG21 THR A 52 -22.007 3.704 -10.947 1.00 1.19 H new ATOM 0 HG22 THR A 52 -21.981 5.428 -10.506 1.00 1.19 H new ATOM 0 HG23 THR A 52 -22.681 4.234 -9.387 1.00 1.19 H new ATOM 779 N LYS A 53 -25.036 6.548 -8.068 1.00 0.47 N ATOM 780 CA LYS A 53 -25.282 6.398 -6.611 1.00 0.46 C ATOM 781 C LYS A 53 -24.501 5.213 -6.060 1.00 0.39 C ATOM 782 O LYS A 53 -24.972 4.484 -5.180 1.00 0.49 O ATOM 783 CB LYS A 53 -26.779 6.217 -6.294 1.00 0.59 C ATOM 784 CG LYS A 53 -27.584 7.518 -6.269 1.00 0.81 C ATOM 785 CD LYS A 53 -27.554 8.261 -7.600 1.00 0.87 C ATOM 786 CE LYS A 53 -28.197 9.637 -7.481 1.00 1.57 C ATOM 787 NZ LYS A 53 -28.078 10.429 -8.737 1.00 2.08 N ATOM 0 H LYS A 53 -24.882 7.512 -8.364 1.00 0.47 H new ATOM 0 HA LYS A 53 -24.943 7.317 -6.133 1.00 0.46 H new ATOM 0 HB2 LYS A 53 -27.216 5.548 -7.035 1.00 0.59 H new ATOM 0 HB3 LYS A 53 -26.876 5.726 -5.326 1.00 0.59 H new ATOM 0 HG2 LYS A 53 -28.618 7.294 -6.007 1.00 0.81 H new ATOM 0 HG3 LYS A 53 -27.190 8.168 -5.487 1.00 0.81 H new ATOM 0 HD2 LYS A 53 -26.523 8.367 -7.936 1.00 0.87 H new ATOM 0 HD3 LYS A 53 -28.078 7.677 -8.357 1.00 0.87 H new ATOM 0 HE2 LYS A 53 -29.250 9.522 -7.225 1.00 1.57 H new ATOM 0 HE3 LYS A 53 -27.728 10.185 -6.663 1.00 1.57 H new ATOM 0 HZ1 LYS A 53 -28.407 11.401 -8.567 1.00 2.08 H new ATOM 0 HZ2 LYS A 53 -27.084 10.448 -9.043 1.00 2.08 H new ATOM 0 HZ3 LYS A 53 -28.660 9.992 -9.480 1.00 2.08 H new ATOM 801 N THR A 54 -23.288 5.065 -6.540 1.00 0.34 N ATOM 802 CA THR A 54 -22.483 3.921 -6.193 1.00 0.31 C ATOM 803 C THR A 54 -21.346 4.279 -5.230 1.00 0.28 C ATOM 804 O THR A 54 -20.588 5.226 -5.452 1.00 0.35 O ATOM 805 CB THR A 54 -21.948 3.231 -7.472 1.00 0.38 C ATOM 806 OG1 THR A 54 -23.064 2.758 -8.226 1.00 0.51 O ATOM 807 CG2 THR A 54 -21.051 2.041 -7.129 1.00 0.41 C ATOM 0 H THR A 54 -22.838 5.725 -7.174 1.00 0.34 H new ATOM 0 HA THR A 54 -23.123 3.216 -5.662 1.00 0.31 H new ATOM 0 HB THR A 54 -21.360 3.953 -8.039 1.00 0.38 H new ATOM 0 HG1 THR A 54 -23.810 3.386 -8.135 1.00 0.51 H new ATOM 0 HG21 THR A 54 -20.692 1.579 -8.049 1.00 0.41 H new ATOM 0 HG22 THR A 54 -20.201 2.384 -6.540 1.00 0.41 H new ATOM 0 HG23 THR A 54 -21.620 1.310 -6.554 1.00 0.41 H new ATOM 815 N TYR A 55 -21.302 3.568 -4.105 1.00 0.21 N ATOM 816 CA TYR A 55 -20.237 3.728 -3.118 1.00 0.21 C ATOM 817 C TYR A 55 -19.099 2.777 -3.454 1.00 0.21 C ATOM 818 O TYR A 55 -19.317 1.592 -3.702 1.00 0.24 O ATOM 819 CB TYR A 55 -20.718 3.461 -1.670 1.00 0.24 C ATOM 820 CG TYR A 55 -21.416 4.634 -1.017 1.00 0.30 C ATOM 821 CD1 TYR A 55 -22.779 4.822 -1.202 1.00 1.14 C ATOM 822 CD2 TYR A 55 -20.727 5.546 -0.222 1.00 1.06 C ATOM 823 CE1 TYR A 55 -23.441 5.877 -0.612 1.00 1.19 C ATOM 824 CE2 TYR A 55 -21.385 6.608 0.368 1.00 1.12 C ATOM 825 CZ TYR A 55 -22.650 6.807 0.193 1.00 0.56 C ATOM 826 OH TYR A 55 -23.402 7.811 0.768 1.00 0.70 O ATOM 0 H TYR A 55 -22.000 2.868 -3.853 1.00 0.21 H new ATOM 0 HA TYR A 55 -19.904 4.765 -3.162 1.00 0.21 H new ATOM 0 HB2 TYR A 55 -21.397 2.608 -1.677 1.00 0.24 H new ATOM 0 HB3 TYR A 55 -19.859 3.180 -1.061 1.00 0.24 H new ATOM 0 HD1 TYR A 55 -23.331 4.129 -1.820 1.00 1.14 H new ATOM 0 HD2 TYR A 55 -19.666 5.422 -0.065 1.00 1.06 H new ATOM 0 HE1 TYR A 55 -24.505 6.012 -0.739 1.00 1.19 H new ATOM 0 HE2 TYR A 55 -20.827 7.290 0.992 1.00 1.12 H new ATOM 0 HH TYR A 55 -23.867 7.461 1.557 1.00 0.70 H new ATOM 836 N THR A 56 -17.889 3.295 -3.497 1.00 0.24 N ATOM 837 CA THR A 56 -16.743 2.476 -3.827 1.00 0.29 C ATOM 838 C THR A 56 -15.739 2.472 -2.682 1.00 0.25 C ATOM 839 O THR A 56 -15.210 3.520 -2.306 1.00 0.28 O ATOM 840 CB THR A 56 -16.056 2.986 -5.108 1.00 0.38 C ATOM 841 OG1 THR A 56 -17.050 3.245 -6.112 1.00 0.96 O ATOM 842 CG2 THR A 56 -15.041 1.968 -5.638 1.00 0.74 C ATOM 0 H THR A 56 -17.675 4.274 -3.309 1.00 0.24 H new ATOM 0 HA THR A 56 -17.099 1.460 -3.996 1.00 0.29 H new ATOM 0 HB THR A 56 -15.520 3.904 -4.868 1.00 0.38 H new ATOM 0 HG1 THR A 56 -16.614 3.571 -6.927 1.00 0.96 H new ATOM 0 HG21 THR A 56 -14.573 2.357 -6.542 1.00 0.74 H new ATOM 0 HG22 THR A 56 -14.276 1.789 -4.882 1.00 0.74 H new ATOM 0 HG23 THR A 56 -15.550 1.032 -5.867 1.00 0.74 H new ATOM 850 N VAL A 57 -15.512 1.305 -2.107 1.00 0.24 N ATOM 851 CA VAL A 57 -14.513 1.171 -1.056 1.00 0.23 C ATOM 852 C VAL A 57 -13.307 0.466 -1.653 1.00 0.24 C ATOM 853 O VAL A 57 -13.453 -0.499 -2.407 1.00 0.30 O ATOM 854 CB VAL A 57 -15.025 0.427 0.226 1.00 0.25 C ATOM 855 CG1 VAL A 57 -15.432 -1.016 -0.049 1.00 0.28 C ATOM 856 CG2 VAL A 57 -13.971 0.464 1.322 1.00 0.27 C ATOM 0 H VAL A 57 -16.000 0.442 -2.345 1.00 0.24 H new ATOM 0 HA VAL A 57 -14.255 2.170 -0.705 1.00 0.23 H new ATOM 0 HB VAL A 57 -15.918 0.959 0.555 1.00 0.25 H new ATOM 0 HG11 VAL A 57 -15.777 -1.479 0.875 1.00 0.28 H new ATOM 0 HG12 VAL A 57 -16.235 -1.033 -0.786 1.00 0.28 H new ATOM 0 HG13 VAL A 57 -14.575 -1.569 -0.433 1.00 0.28 H new ATOM 0 HG21 VAL A 57 -14.344 -0.057 2.204 1.00 0.27 H new ATOM 0 HG22 VAL A 57 -13.062 -0.024 0.970 1.00 0.27 H new ATOM 0 HG23 VAL A 57 -13.750 1.500 1.579 1.00 0.27 H new ATOM 866 N THR A 58 -12.144 1.067 -1.484 1.00 0.26 N ATOM 867 CA THR A 58 -10.936 0.539 -2.081 1.00 0.30 C ATOM 868 C THR A 58 -9.877 0.236 -1.030 1.00 0.32 C ATOM 869 O THR A 58 -9.407 1.132 -0.316 1.00 0.36 O ATOM 870 CB THR A 58 -10.372 1.522 -3.123 1.00 0.40 C ATOM 871 OG1 THR A 58 -11.445 2.009 -3.941 1.00 0.41 O ATOM 872 CG2 THR A 58 -9.331 0.851 -4.009 1.00 0.52 C ATOM 0 H THR A 58 -12.012 1.919 -0.939 1.00 0.26 H new ATOM 0 HA THR A 58 -11.200 -0.396 -2.576 1.00 0.30 H new ATOM 0 HB THR A 58 -9.892 2.345 -2.594 1.00 0.40 H new ATOM 0 HG1 THR A 58 -11.091 2.637 -4.605 1.00 0.41 H new ATOM 0 HG21 THR A 58 -8.952 1.571 -4.734 1.00 0.52 H new ATOM 0 HG22 THR A 58 -8.508 0.489 -3.393 1.00 0.52 H new ATOM 0 HG23 THR A 58 -9.787 0.012 -4.535 1.00 0.52 H new ATOM 880 N GLU A 59 -9.562 -1.041 -0.910 1.00 0.35 N ATOM 881 CA GLU A 59 -8.529 -1.508 0.013 1.00 0.42 C ATOM 882 C GLU A 59 -7.143 -1.042 -0.437 1.00 0.53 C ATOM 883 O GLU A 59 -6.480 -1.717 -1.232 1.00 0.75 O ATOM 884 CB GLU A 59 -8.548 -3.044 0.144 1.00 0.44 C ATOM 885 CG GLU A 59 -9.676 -3.564 1.022 1.00 0.78 C ATOM 886 CD GLU A 59 -10.999 -2.865 0.780 1.00 1.79 C ATOM 887 OE1 GLU A 59 -11.673 -3.193 -0.215 1.00 2.34 O ATOM 888 OE2 GLU A 59 -11.358 -1.984 1.586 1.00 2.56 O ATOM 0 H GLU A 59 -10.010 -1.785 -1.445 1.00 0.35 H new ATOM 0 HA GLU A 59 -8.746 -1.075 0.990 1.00 0.42 H new ATOM 0 HB2 GLU A 59 -8.639 -3.484 -0.849 1.00 0.44 H new ATOM 0 HB3 GLU A 59 -7.595 -3.378 0.555 1.00 0.44 H new ATOM 0 HG2 GLU A 59 -9.801 -4.632 0.846 1.00 0.78 H new ATOM 0 HG3 GLU A 59 -9.396 -3.444 2.069 1.00 0.78 H new ATOM 1067 N LEU A 75 18.537 6.578 -15.329 1.00 21.47 N ATOM 1068 CA LEU A 75 18.496 5.514 -16.320 1.00 21.98 C ATOM 1069 C LEU A 75 19.748 5.569 -17.190 1.00 22.04 C ATOM 1070 O LEU A 75 20.397 6.617 -17.265 1.00 21.90 O ATOM 1071 CB LEU A 75 17.245 5.639 -17.204 1.00 22.62 C ATOM 1072 CG LEU A 75 15.917 5.195 -16.576 1.00 22.85 C ATOM 1073 CD1 LEU A 75 16.005 3.763 -16.078 1.00 22.94 C ATOM 1074 CD2 LEU A 75 15.502 6.124 -15.447 1.00 22.46 C ATOM 0 HA LEU A 75 18.457 4.558 -15.797 1.00 21.98 H new ATOM 0 HB2 LEU A 75 17.146 6.680 -17.511 1.00 22.62 H new ATOM 0 HB3 LEU A 75 17.407 5.054 -18.109 1.00 22.62 H new ATOM 0 HG LEU A 75 15.154 5.245 -17.353 1.00 22.85 H new ATOM 0 HD11 LEU A 75 15.052 3.472 -15.637 1.00 22.94 H new ATOM 0 HD12 LEU A 75 16.236 3.101 -16.913 1.00 22.94 H new ATOM 0 HD13 LEU A 75 16.791 3.687 -15.326 1.00 22.94 H new ATOM 0 HD21 LEU A 75 14.558 5.782 -15.023 1.00 22.46 H new ATOM 0 HD22 LEU A 75 16.269 6.121 -14.673 1.00 22.46 H new ATOM 0 HD23 LEU A 75 15.381 7.136 -15.834 1.00 22.46 H new ATOM 1086 N PRO A 76 20.158 4.438 -17.801 1.00 22.33 N ATOM 1087 CA PRO A 76 21.314 4.414 -18.703 1.00 22.55 C ATOM 1088 C PRO A 76 20.958 5.042 -20.044 1.00 23.16 C ATOM 1089 O PRO A 76 19.776 5.141 -20.382 1.00 23.54 O ATOM 1090 CB PRO A 76 21.612 2.900 -18.884 1.00 22.90 C ATOM 1091 CG PRO A 76 20.800 2.219 -17.833 1.00 22.69 C ATOM 1092 CD PRO A 76 19.576 3.094 -17.661 1.00 22.58 C ATOM 0 HA PRO A 76 22.164 4.973 -18.312 1.00 22.55 H new ATOM 0 HB2 PRO A 76 21.333 2.559 -19.881 1.00 22.90 H new ATOM 0 HB3 PRO A 76 22.674 2.689 -18.761 1.00 22.90 H new ATOM 0 HG2 PRO A 76 20.525 1.210 -18.138 1.00 22.69 H new ATOM 0 HG3 PRO A 76 21.356 2.129 -16.900 1.00 22.69 H new ATOM 0 HD2 PRO A 76 18.818 2.894 -18.418 1.00 22.58 H new ATOM 0 HD3 PRO A 76 19.102 2.951 -16.690 1.00 22.58 H new ATOM 1100 N PRO A 77 21.953 5.479 -20.836 1.00 23.33 N ATOM 1101 CA PRO A 77 21.691 6.087 -22.145 1.00 24.01 C ATOM 1102 C PRO A 77 21.017 5.091 -23.085 1.00 24.77 C ATOM 1103 O PRO A 77 21.479 3.960 -23.250 1.00 25.03 O ATOM 1104 CB PRO A 77 23.087 6.471 -22.647 1.00 24.14 C ATOM 1105 CG PRO A 77 23.977 5.507 -21.964 1.00 23.57 C ATOM 1106 CD PRO A 77 23.402 5.359 -20.575 1.00 23.01 C ATOM 0 HA PRO A 77 21.014 6.940 -22.092 1.00 24.01 H new ATOM 0 HB2 PRO A 77 23.161 6.387 -23.731 1.00 24.14 H new ATOM 0 HB3 PRO A 77 23.337 7.500 -22.389 1.00 24.14 H new ATOM 0 HG2 PRO A 77 23.998 4.551 -22.486 1.00 23.57 H new ATOM 0 HG3 PRO A 77 25.003 5.873 -21.929 1.00 23.57 H new ATOM 0 HD2 PRO A 77 23.659 4.400 -20.126 1.00 23.01 H new ATOM 0 HD3 PRO A 77 23.762 6.134 -19.898 1.00 23.01 H new ATOM 1114 N GLY A 78 19.919 5.507 -23.686 1.00 25.21 N ATOM 1115 CA GLY A 78 19.163 4.616 -24.545 1.00 26.01 C ATOM 1116 C GLY A 78 17.951 4.002 -23.850 1.00 25.92 C ATOM 1117 O GLY A 78 16.954 3.692 -24.506 1.00 26.59 O ATOM 0 H GLY A 78 19.533 6.447 -23.597 1.00 25.21 H new ATOM 0 HA2 GLY A 78 18.830 5.165 -25.426 1.00 26.01 H new ATOM 0 HA3 GLY A 78 19.817 3.817 -24.896 1.00 26.01 H new ATOM 1121 N TRP A 79 18.014 3.856 -22.526 1.00 25.19 N ATOM 1122 CA TRP A 79 16.901 3.265 -21.768 1.00 25.16 C ATOM 1123 C TRP A 79 15.917 4.350 -21.298 1.00 24.97 C ATOM 1124 O TRP A 79 16.329 5.456 -20.954 1.00 24.43 O ATOM 1125 CB TRP A 79 17.424 2.485 -20.547 1.00 24.58 C ATOM 1126 CG TRP A 79 18.104 1.197 -20.896 1.00 24.92 C ATOM 1127 CD1 TRP A 79 19.395 1.028 -21.308 1.00 24.92 C ATOM 1128 CD2 TRP A 79 17.520 -0.109 -20.853 1.00 25.44 C ATOM 1129 NE1 TRP A 79 19.645 -0.307 -21.530 1.00 25.41 N ATOM 1130 CE2 TRP A 79 18.509 -1.025 -21.254 1.00 25.73 C ATOM 1131 CE3 TRP A 79 16.257 -0.593 -20.507 1.00 25.76 C ATOM 1132 CZ2 TRP A 79 18.264 -2.395 -21.331 1.00 26.32 C ATOM 1133 CZ3 TRP A 79 16.015 -1.948 -20.582 1.00 26.34 C ATOM 1134 CH2 TRP A 79 17.014 -2.837 -20.985 1.00 26.61 C ATOM 0 H TRP A 79 18.814 4.134 -21.957 1.00 25.19 H new ATOM 0 HA TRP A 79 16.379 2.578 -22.434 1.00 25.16 H new ATOM 0 HB2 TRP A 79 18.122 3.116 -19.997 1.00 24.58 H new ATOM 0 HB3 TRP A 79 16.590 2.274 -19.878 1.00 24.58 H new ATOM 0 HD1 TRP A 79 20.113 1.824 -21.440 1.00 24.92 H new ATOM 0 HE1 TRP A 79 20.531 -0.699 -21.848 1.00 25.41 H new ATOM 0 HE3 TRP A 79 15.480 0.085 -20.185 1.00 25.76 H new ATOM 0 HZ2 TRP A 79 19.032 -3.083 -21.652 1.00 26.32 H new ATOM 0 HZ3 TRP A 79 15.037 -2.328 -20.325 1.00 26.34 H new ATOM 0 HH2 TRP A 79 16.797 -3.894 -21.025 1.00 26.61 H new ATOM 1145 N GLU A 80 14.617 4.044 -21.324 1.00 25.51 N ATOM 1146 CA GLU A 80 13.593 4.975 -20.864 1.00 25.50 C ATOM 1147 C GLU A 80 12.751 4.321 -19.771 1.00 25.52 C ATOM 1148 O GLU A 80 12.495 3.114 -19.816 1.00 25.91 O ATOM 1149 CB GLU A 80 12.699 5.381 -22.044 1.00 26.28 C ATOM 1150 CG GLU A 80 11.629 6.401 -21.701 1.00 26.33 C ATOM 1151 CD GLU A 80 12.202 7.738 -21.290 1.00 26.69 C ATOM 1152 OE1 GLU A 80 12.532 8.540 -22.182 1.00 26.95 O ATOM 1153 OE2 GLU A 80 12.342 7.981 -20.074 1.00 26.80 O ATOM 0 H GLU A 80 14.251 3.153 -21.661 1.00 25.51 H new ATOM 0 HA GLU A 80 14.072 5.865 -20.455 1.00 25.50 H new ATOM 0 HB2 GLU A 80 13.328 5.785 -22.837 1.00 26.28 H new ATOM 0 HB3 GLU A 80 12.217 4.488 -22.443 1.00 26.28 H new ATOM 0 HG2 GLU A 80 10.977 6.540 -22.563 1.00 26.33 H new ATOM 0 HG3 GLU A 80 11.010 6.013 -20.893 1.00 26.33 H new ATOM 1160 N MET A 81 12.296 5.121 -18.813 1.00 25.18 N ATOM 1161 CA MET A 81 11.496 4.611 -17.704 1.00 25.27 C ATOM 1162 C MET A 81 10.217 5.437 -17.545 1.00 25.77 C ATOM 1163 O MET A 81 10.279 6.664 -17.447 1.00 25.60 O ATOM 1164 CB MET A 81 12.312 4.655 -16.408 1.00 24.50 C ATOM 1165 CG MET A 81 11.532 4.250 -15.174 1.00 24.68 C ATOM 1166 SD MET A 81 12.416 4.645 -13.650 1.00 24.52 S ATOM 1167 CE MET A 81 11.116 4.447 -12.436 1.00 24.27 C ATOM 0 H MET A 81 12.467 6.126 -18.782 1.00 25.18 H new ATOM 0 HA MET A 81 11.220 3.578 -17.918 1.00 25.27 H new ATOM 0 HB2 MET A 81 13.175 3.997 -16.512 1.00 24.50 H new ATOM 0 HB3 MET A 81 12.696 5.665 -16.267 1.00 24.50 H new ATOM 0 HG2 MET A 81 10.567 4.756 -15.174 1.00 24.68 H new ATOM 0 HG3 MET A 81 11.331 3.179 -15.208 1.00 24.68 H new ATOM 0 HE1 MET A 81 11.502 3.900 -11.576 1.00 24.27 H new ATOM 0 HE2 MET A 81 10.765 5.428 -12.115 1.00 24.27 H new ATOM 0 HE3 MET A 81 10.288 3.892 -12.877 1.00 24.27 H new ATOM 1177 N LYS A 82 9.061 4.772 -17.502 1.00 26.46 N ATOM 1178 CA LYS A 82 7.775 5.461 -17.370 1.00 27.08 C ATOM 1179 C LYS A 82 6.789 4.550 -16.625 1.00 27.55 C ATOM 1180 O LYS A 82 7.021 3.344 -16.524 1.00 27.58 O ATOM 1181 CB LYS A 82 7.214 5.862 -18.759 1.00 27.79 C ATOM 1182 CG LYS A 82 8.098 6.816 -19.552 1.00 27.45 C ATOM 1183 CD LYS A 82 7.505 7.094 -20.923 1.00 28.23 C ATOM 1184 CE LYS A 82 8.385 8.026 -21.745 1.00 28.14 C ATOM 1185 NZ LYS A 82 8.590 9.344 -21.082 1.00 28.22 N ATOM 0 H LYS A 82 8.989 3.756 -17.557 1.00 26.46 H new ATOM 0 HA LYS A 82 7.919 6.379 -16.800 1.00 27.08 H new ATOM 0 HB2 LYS A 82 7.059 4.958 -19.348 1.00 27.79 H new ATOM 0 HB3 LYS A 82 6.236 6.324 -18.621 1.00 27.79 H new ATOM 0 HG2 LYS A 82 8.212 7.752 -19.005 1.00 27.45 H new ATOM 0 HG3 LYS A 82 9.094 6.388 -19.663 1.00 27.45 H new ATOM 0 HD2 LYS A 82 7.373 6.154 -21.458 1.00 28.23 H new ATOM 0 HD3 LYS A 82 6.516 7.537 -20.807 1.00 28.23 H new ATOM 0 HE2 LYS A 82 9.352 7.553 -21.914 1.00 28.14 H new ATOM 0 HE3 LYS A 82 7.931 8.181 -22.724 1.00 28.14 H new ATOM 0 HZ1 LYS A 82 9.048 9.999 -21.747 1.00 28.22 H new ATOM 0 HZ2 LYS A 82 7.670 9.733 -20.791 1.00 28.22 H new ATOM 0 HZ3 LYS A 82 9.195 9.221 -20.245 1.00 28.22 H new ATOM 1199 N TYR A 83 5.731 5.125 -16.061 1.00 27.96 N ATOM 1200 CA TYR A 83 4.736 4.343 -15.313 1.00 28.50 C ATOM 1201 C TYR A 83 3.436 4.195 -16.105 1.00 29.50 C ATOM 1202 O TYR A 83 3.100 5.048 -16.929 1.00 29.77 O ATOM 1203 CB TYR A 83 4.422 4.995 -13.949 1.00 28.32 C ATOM 1204 CG TYR A 83 5.514 4.833 -12.914 1.00 27.47 C ATOM 1205 CD1 TYR A 83 5.389 3.937 -11.859 1.00 27.19 C ATOM 1206 CD2 TYR A 83 6.683 5.578 -13.006 1.00 27.03 C ATOM 1207 CE1 TYR A 83 6.398 3.795 -10.924 1.00 26.48 C ATOM 1208 CE2 TYR A 83 7.694 5.440 -12.076 1.00 26.32 C ATOM 1209 CZ TYR A 83 7.491 4.526 -10.982 1.00 26.04 C ATOM 1210 OH TYR A 83 8.548 4.407 -10.108 1.00 25.39 O ATOM 0 H TYR A 83 5.536 6.125 -16.104 1.00 27.96 H new ATOM 0 HA TYR A 83 5.169 3.356 -15.148 1.00 28.50 H new ATOM 0 HB2 TYR A 83 4.238 6.058 -14.102 1.00 28.32 H new ATOM 0 HB3 TYR A 83 3.500 4.565 -13.558 1.00 28.32 H new ATOM 0 HD1 TYR A 83 4.491 3.343 -11.768 1.00 27.19 H new ATOM 0 HD2 TYR A 83 6.803 6.278 -13.820 1.00 27.03 H new ATOM 0 HE1 TYR A 83 6.287 3.070 -10.131 1.00 26.48 H new ATOM 0 HE2 TYR A 83 8.612 6.002 -12.167 1.00 26.32 H new ATOM 0 HH TYR A 83 9.245 5.052 -10.348 1.00 25.39 H new ATOM 1220 N THR A 84 2.728 3.092 -15.871 1.00 30.09 N ATOM 1221 CA THR A 84 1.439 2.857 -16.509 1.00 31.09 C ATOM 1222 C THR A 84 0.333 3.510 -15.676 1.00 31.47 C ATOM 1223 O THR A 84 0.610 4.160 -14.665 1.00 30.98 O ATOM 1224 CB THR A 84 1.131 1.345 -16.668 1.00 31.69 C ATOM 1225 OG1 THR A 84 0.834 0.765 -15.391 1.00 31.75 O ATOM 1226 CG2 THR A 84 2.303 0.603 -17.286 1.00 31.35 C ATOM 0 H THR A 84 3.028 2.347 -15.243 1.00 30.09 H new ATOM 0 HA THR A 84 1.480 3.296 -17.506 1.00 31.09 H new ATOM 0 HB THR A 84 0.270 1.253 -17.330 1.00 31.69 H new ATOM 0 HG1 THR A 84 0.486 -0.142 -15.517 1.00 31.75 H new ATOM 0 HG21 THR A 84 2.054 -0.454 -17.383 1.00 31.35 H new ATOM 0 HG22 THR A 84 2.517 1.018 -18.271 1.00 31.35 H new ATOM 0 HG23 THR A 84 3.180 0.712 -16.648 1.00 31.35 H new ATOM 1234 N SER A 85 -0.916 3.281 -16.049 1.00 32.40 N ATOM 1235 CA SER A 85 -2.045 3.878 -15.349 1.00 32.91 C ATOM 1236 C SER A 85 -2.471 3.042 -14.137 1.00 33.07 C ATOM 1237 O SER A 85 -3.506 3.301 -13.521 1.00 33.44 O ATOM 1238 CB SER A 85 -3.196 4.041 -16.313 1.00 33.91 C ATOM 1239 OG SER A 85 -2.745 4.597 -17.540 1.00 34.32 O ATOM 0 H SER A 85 -1.175 2.684 -16.835 1.00 32.40 H new ATOM 0 HA SER A 85 -1.740 4.854 -14.971 1.00 32.91 H new ATOM 0 HB2 SER A 85 -3.664 3.074 -16.496 1.00 33.91 H new ATOM 0 HB3 SER A 85 -3.957 4.685 -15.873 1.00 33.91 H new ATOM 0 HG SER A 85 -3.503 4.694 -18.153 1.00 34.32 H new ATOM 1245 N GLU A 86 -1.644 2.067 -13.778 1.00 32.82 N ATOM 1246 CA GLU A 86 -1.924 1.187 -12.637 1.00 33.03 C ATOM 1247 C GLU A 86 -0.802 1.299 -11.612 1.00 32.13 C ATOM 1248 O GLU A 86 -0.829 0.643 -10.571 1.00 32.23 O ATOM 1249 CB GLU A 86 -2.048 -0.274 -13.104 1.00 33.61 C ATOM 1250 CG GLU A 86 -3.148 -0.509 -14.130 1.00 34.45 C ATOM 1251 CD GLU A 86 -3.282 -1.969 -14.522 1.00 34.93 C ATOM 1252 OE1 GLU A 86 -2.379 -2.497 -15.203 1.00 34.87 O ATOM 1253 OE2 GLU A 86 -4.296 -2.598 -14.159 1.00 35.43 O ATOM 0 H GLU A 86 -0.769 1.861 -14.260 1.00 32.82 H new ATOM 0 HA GLU A 86 -2.866 1.495 -12.183 1.00 33.03 H new ATOM 0 HB2 GLU A 86 -1.096 -0.590 -13.530 1.00 33.61 H new ATOM 0 HB3 GLU A 86 -2.235 -0.907 -12.236 1.00 33.61 H new ATOM 0 HG2 GLU A 86 -4.097 -0.157 -13.726 1.00 34.45 H new ATOM 0 HG3 GLU A 86 -2.941 0.084 -15.021 1.00 34.45 H new ATOM 1260 N GLY A 87 0.183 2.138 -11.918 1.00 31.30 N ATOM 1261 CA GLY A 87 1.325 2.303 -11.037 1.00 30.42 C ATOM 1262 C GLY A 87 2.442 1.319 -11.333 1.00 30.02 C ATOM 1263 O GLY A 87 3.325 1.107 -10.504 1.00 29.44 O ATOM 0 H GLY A 87 0.210 2.708 -12.763 1.00 31.30 H new ATOM 0 HA2 GLY A 87 1.707 3.319 -11.132 1.00 30.42 H new ATOM 0 HA3 GLY A 87 1.002 2.179 -10.003 1.00 30.42 H new ATOM 1267 N VAL A 88 2.426 0.730 -12.525 1.00 30.40 N ATOM 1268 CA VAL A 88 3.446 -0.238 -12.906 1.00 30.17 C ATOM 1269 C VAL A 88 4.570 0.424 -13.708 1.00 29.38 C ATOM 1270 O VAL A 88 4.320 1.183 -14.641 1.00 29.40 O ATOM 1271 CB VAL A 88 2.842 -1.408 -13.717 1.00 31.05 C ATOM 1272 CG1 VAL A 88 3.913 -2.411 -14.113 1.00 30.89 C ATOM 1273 CG2 VAL A 88 1.748 -2.096 -12.917 1.00 31.86 C ATOM 0 H VAL A 88 1.720 0.906 -13.240 1.00 30.40 H new ATOM 0 HA VAL A 88 3.865 -0.637 -11.982 1.00 30.17 H new ATOM 0 HB VAL A 88 2.409 -0.997 -14.629 1.00 31.05 H new ATOM 0 HG11 VAL A 88 3.459 -3.222 -14.682 1.00 30.89 H new ATOM 0 HG12 VAL A 88 4.667 -1.916 -14.725 1.00 30.89 H new ATOM 0 HG13 VAL A 88 4.382 -2.815 -13.216 1.00 30.89 H new ATOM 0 HG21 VAL A 88 1.332 -2.917 -13.501 1.00 31.86 H new ATOM 0 HG22 VAL A 88 2.166 -2.486 -11.989 1.00 31.86 H new ATOM 0 HG23 VAL A 88 0.960 -1.379 -12.687 1.00 31.86 H new ATOM 1283 N ARG A 89 5.799 0.157 -13.299 1.00 28.74 N ATOM 1284 CA ARG A 89 6.985 0.694 -13.964 1.00 27.99 C ATOM 1285 C ARG A 89 7.314 -0.112 -15.224 1.00 28.23 C ATOM 1286 O ARG A 89 7.636 -1.300 -15.132 1.00 28.54 O ATOM 1287 CB ARG A 89 8.159 0.653 -12.974 1.00 27.21 C ATOM 1288 CG ARG A 89 9.522 0.971 -13.569 1.00 26.48 C ATOM 1289 CD ARG A 89 10.598 0.927 -12.492 1.00 25.83 C ATOM 1290 NE ARG A 89 11.950 0.885 -13.045 1.00 25.29 N ATOM 1291 CZ ARG A 89 13.054 1.200 -12.361 1.00 24.70 C ATOM 1292 NH1 ARG A 89 12.969 1.636 -11.109 1.00 24.55 N ATOM 1293 NH2 ARG A 89 14.246 1.078 -12.937 1.00 24.34 N ATOM 0 H ARG A 89 6.008 -0.438 -12.497 1.00 28.74 H new ATOM 0 HA ARG A 89 6.798 1.722 -14.273 1.00 27.99 H new ATOM 0 HB2 ARG A 89 7.959 1.360 -12.169 1.00 27.21 H new ATOM 0 HB3 ARG A 89 8.199 -0.339 -12.525 1.00 27.21 H new ATOM 0 HG2 ARG A 89 9.758 0.255 -14.356 1.00 26.48 H new ATOM 0 HG3 ARG A 89 9.502 1.958 -14.031 1.00 26.48 H new ATOM 0 HD2 ARG A 89 10.500 1.803 -11.850 1.00 25.83 H new ATOM 0 HD3 ARG A 89 10.440 0.051 -11.863 1.00 25.83 H new ATOM 0 HE ARG A 89 12.058 0.596 -14.017 1.00 25.29 H new ATOM 0 HH11 ARG A 89 12.057 1.732 -10.663 1.00 24.55 H new ATOM 0 HH12 ARG A 89 13.816 1.874 -10.593 1.00 24.55 H new ATOM 0 HH21 ARG A 89 14.316 0.745 -13.898 1.00 24.34 H new ATOM 0 HH22 ARG A 89 15.090 1.318 -12.417 1.00 24.34 H new ATOM 1307 N TYR A 90 7.246 0.533 -16.389 1.00 28.18 N ATOM 1308 CA TYR A 90 7.565 -0.137 -17.649 1.00 28.46 C ATOM 1309 C TYR A 90 8.710 0.605 -18.347 1.00 27.80 C ATOM 1310 O TYR A 90 8.969 1.770 -18.041 1.00 27.31 O ATOM 1311 CB TYR A 90 6.325 -0.255 -18.572 1.00 29.43 C ATOM 1312 CG TYR A 90 5.858 1.024 -19.244 1.00 29.57 C ATOM 1313 CD1 TYR A 90 5.040 1.926 -18.572 1.00 29.65 C ATOM 1314 CD2 TYR A 90 6.281 1.358 -20.521 1.00 29.70 C ATOM 1315 CE1 TYR A 90 4.661 3.121 -19.156 1.00 29.86 C ATOM 1316 CE2 TYR A 90 5.901 2.548 -21.116 1.00 29.91 C ATOM 1317 CZ TYR A 90 4.912 3.310 -20.525 1.00 30.05 C ATOM 1318 OH TYR A 90 4.723 4.621 -21.005 1.00 30.27 O ATOM 0 H TYR A 90 6.975 1.512 -16.486 1.00 28.18 H new ATOM 0 HA TYR A 90 7.883 -1.155 -17.427 1.00 28.46 H new ATOM 0 HB2 TYR A 90 6.546 -0.988 -19.348 1.00 29.43 H new ATOM 0 HB3 TYR A 90 5.498 -0.653 -17.984 1.00 29.43 H new ATOM 0 HD1 TYR A 90 4.695 1.689 -17.577 1.00 29.65 H new ATOM 0 HD2 TYR A 90 6.920 0.676 -21.062 1.00 29.70 H new ATOM 0 HE1 TYR A 90 4.182 3.893 -18.572 1.00 29.86 H new ATOM 0 HE2 TYR A 90 6.372 2.877 -22.031 1.00 29.91 H new ATOM 0 HH TYR A 90 4.923 4.650 -21.964 1.00 30.27 H new ATOM 1328 N PHE A 91 9.418 -0.067 -19.251 1.00 27.84 N ATOM 1329 CA PHE A 91 10.563 0.541 -19.913 1.00 27.29 C ATOM 1330 C PHE A 91 10.322 0.694 -21.405 1.00 27.91 C ATOM 1331 O PHE A 91 9.515 -0.023 -21.998 1.00 28.69 O ATOM 1332 CB PHE A 91 11.823 -0.311 -19.698 1.00 26.81 C ATOM 1333 CG PHE A 91 12.274 -0.480 -18.251 1.00 26.08 C ATOM 1334 CD1 PHE A 91 11.969 0.489 -17.291 1.00 25.34 C ATOM 1335 CD2 PHE A 91 12.994 -1.599 -17.840 1.00 26.22 C ATOM 1336 CE1 PHE A 91 12.367 0.343 -15.979 1.00 24.76 C ATOM 1337 CE2 PHE A 91 13.392 -1.743 -16.528 1.00 25.66 C ATOM 1338 CZ PHE A 91 13.118 -0.803 -15.611 1.00 24.89 C ATOM 0 H PHE A 91 9.219 -1.025 -19.539 1.00 27.84 H new ATOM 0 HA PHE A 91 10.705 1.529 -19.474 1.00 27.29 H new ATOM 0 HB2 PHE A 91 11.646 -1.300 -20.121 1.00 26.81 H new ATOM 0 HB3 PHE A 91 12.641 0.136 -20.263 1.00 26.81 H new ATOM 0 HD1 PHE A 91 11.412 1.367 -17.582 1.00 25.34 H new ATOM 0 HD2 PHE A 91 13.244 -2.365 -18.559 1.00 26.22 H new ATOM 0 HE1 PHE A 91 12.111 1.090 -15.242 1.00 24.76 H new ATOM 0 HE2 PHE A 91 13.934 -2.629 -16.233 1.00 25.66 H new ATOM 0 HZ PHE A 91 13.468 -0.918 -14.596 1.00 24.89 H new ATOM 1348 N VAL A 92 11.025 1.636 -22.002 1.00 27.61 N ATOM 1349 CA VAL A 92 10.942 1.863 -23.432 1.00 28.23 C ATOM 1350 C VAL A 92 12.336 1.815 -24.036 1.00 27.94 C ATOM 1351 O VAL A 92 13.133 2.732 -23.848 1.00 27.26 O ATOM 1352 CB VAL A 92 10.317 3.230 -23.781 1.00 28.37 C ATOM 1353 CG1 VAL A 92 9.964 3.295 -25.259 1.00 29.13 C ATOM 1354 CG2 VAL A 92 9.098 3.516 -22.926 1.00 28.67 C ATOM 0 H VAL A 92 11.666 2.262 -21.514 1.00 27.61 H new ATOM 0 HA VAL A 92 10.303 1.080 -23.839 1.00 28.23 H new ATOM 0 HB VAL A 92 11.059 3.999 -23.567 1.00 28.37 H new ATOM 0 HG11 VAL A 92 9.525 4.266 -25.486 1.00 29.13 H new ATOM 0 HG12 VAL A 92 10.866 3.157 -25.855 1.00 29.13 H new ATOM 0 HG13 VAL A 92 9.248 2.508 -25.497 1.00 29.13 H new ATOM 0 HG21 VAL A 92 8.683 4.486 -23.198 1.00 28.67 H new ATOM 0 HG22 VAL A 92 8.349 2.742 -23.090 1.00 28.67 H new ATOM 0 HG23 VAL A 92 9.385 3.526 -21.875 1.00 28.67 H new ATOM 1364 N ASP A 93 12.653 0.728 -24.708 1.00 28.50 N ATOM 1365 CA ASP A 93 13.948 0.616 -25.370 1.00 28.42 C ATOM 1366 C ASP A 93 13.901 1.470 -26.644 1.00 28.86 C ATOM 1367 O ASP A 93 13.024 1.269 -27.482 1.00 29.70 O ATOM 1368 CB ASP A 93 14.246 -0.854 -25.695 1.00 29.01 C ATOM 1369 CG ASP A 93 15.474 -1.026 -26.558 1.00 28.68 C ATOM 1370 OD1 ASP A 93 16.539 -1.383 -26.022 1.00 28.33 O ATOM 1371 OD2 ASP A 93 15.371 -0.811 -27.782 1.00 28.82 O ATOM 0 H ASP A 93 12.045 -0.084 -24.813 1.00 28.50 H new ATOM 0 HA ASP A 93 14.747 0.974 -24.721 1.00 28.42 H new ATOM 0 HB2 ASP A 93 14.381 -1.407 -24.765 1.00 29.01 H new ATOM 0 HB3 ASP A 93 13.386 -1.290 -26.203 1.00 29.01 H new ATOM 1376 N HIS A 94 14.808 2.440 -26.781 1.00 28.36 N ATOM 1377 CA HIS A 94 14.730 3.387 -27.893 1.00 28.81 C ATOM 1378 C HIS A 94 15.313 2.844 -29.199 1.00 29.31 C ATOM 1379 O HIS A 94 14.979 3.340 -30.272 1.00 29.90 O ATOM 1380 CB HIS A 94 15.436 4.701 -27.551 1.00 28.18 C ATOM 1381 CG HIS A 94 14.736 5.523 -26.515 1.00 28.49 C ATOM 1382 ND1 HIS A 94 15.319 5.893 -25.323 1.00 28.32 N ATOM 1383 CD2 HIS A 94 13.502 6.076 -26.513 1.00 29.05 C ATOM 1384 CE1 HIS A 94 14.476 6.637 -24.637 1.00 28.75 C ATOM 1385 NE2 HIS A 94 13.367 6.763 -25.339 1.00 29.20 N ATOM 0 H HIS A 94 15.593 2.589 -26.146 1.00 28.36 H new ATOM 0 HA HIS A 94 13.665 3.558 -28.048 1.00 28.81 H new ATOM 0 HB2 HIS A 94 16.444 4.478 -27.201 1.00 28.18 H new ATOM 0 HB3 HIS A 94 15.538 5.293 -28.461 1.00 28.18 H new ATOM 0 HD1 HIS A 94 16.257 5.632 -25.019 1.00 28.32 H new ATOM 0 HD2 HIS A 94 12.761 5.991 -27.294 1.00 29.05 H new ATOM 0 HE1 HIS A 94 14.662 7.070 -23.665 1.00 28.75 H new ATOM 1394 N ASN A 95 16.194 1.851 -29.122 1.00 29.17 N ATOM 1395 CA ASN A 95 16.838 1.339 -30.336 1.00 29.71 C ATOM 1396 C ASN A 95 15.916 0.378 -31.089 1.00 30.73 C ATOM 1397 O ASN A 95 16.005 0.263 -32.310 1.00 31.42 O ATOM 1398 CB ASN A 95 18.204 0.670 -30.051 1.00 29.28 C ATOM 1399 CG ASN A 95 18.095 -0.587 -29.220 1.00 29.19 C ATOM 1400 OD1 ASN A 95 17.867 -1.676 -29.743 1.00 29.80 O ATOM 1401 ND2 ASN A 95 18.306 -0.451 -27.924 1.00 28.49 N ATOM 0 H ASN A 95 16.476 1.391 -28.256 1.00 29.17 H new ATOM 0 HA ASN A 95 17.032 2.205 -30.969 1.00 29.71 H new ATOM 0 HB2 ASN A 95 18.687 0.430 -30.998 1.00 29.28 H new ATOM 0 HB3 ASN A 95 18.849 1.382 -29.536 1.00 29.28 H new ATOM 0 HD21 ASN A 95 18.283 -1.269 -27.315 1.00 28.49 H new ATOM 0 HD22 ASN A 95 18.492 0.472 -27.532 1.00 28.49 H new ATOM 1408 N THR A 96 15.043 -0.324 -30.368 1.00 30.87 N ATOM 1409 CA THR A 96 14.073 -1.201 -31.012 1.00 31.86 C ATOM 1410 C THR A 96 12.722 -0.504 -31.100 1.00 32.23 C ATOM 1411 O THR A 96 11.919 -0.789 -31.992 1.00 33.14 O ATOM 1412 CB THR A 96 13.904 -2.544 -30.268 1.00 31.96 C ATOM 1413 OG1 THR A 96 13.554 -2.306 -28.898 1.00 31.19 O ATOM 1414 CG2 THR A 96 15.169 -3.385 -30.339 1.00 32.02 C ATOM 0 H THR A 96 14.989 -0.302 -29.350 1.00 30.87 H new ATOM 0 HA THR A 96 14.455 -1.420 -32.009 1.00 31.86 H new ATOM 0 HB THR A 96 13.104 -3.098 -30.758 1.00 31.96 H new ATOM 0 HG1 THR A 96 14.314 -1.898 -28.432 1.00 31.19 H new ATOM 0 HG21 THR A 96 15.013 -4.322 -29.805 1.00 32.02 H new ATOM 0 HG22 THR A 96 15.407 -3.597 -31.381 1.00 32.02 H new ATOM 0 HG23 THR A 96 15.995 -2.840 -29.882 1.00 32.02 H new ATOM 1422 N ARG A 97 12.487 0.422 -30.162 1.00 31.56 N ATOM 1423 CA ARG A 97 11.248 1.207 -30.116 1.00 31.87 C ATOM 1424 C ARG A 97 10.075 0.306 -29.788 1.00 32.27 C ATOM 1425 O ARG A 97 8.964 0.457 -30.292 1.00 33.03 O ATOM 1426 CB ARG A 97 11.058 1.962 -31.425 1.00 32.70 C ATOM 1427 CG ARG A 97 12.155 2.980 -31.627 1.00 32.43 C ATOM 1428 CD ARG A 97 12.130 3.584 -33.018 1.00 33.36 C ATOM 1429 NE ARG A 97 12.829 2.754 -34.006 1.00 33.97 N ATOM 1430 CZ ARG A 97 13.329 3.229 -35.148 1.00 34.73 C ATOM 1431 NH1 ARG A 97 13.138 4.499 -35.485 1.00 35.00 N ATOM 1432 NH2 ARG A 97 14.006 2.432 -35.965 1.00 35.29 N ATOM 0 H ARG A 97 13.147 0.647 -29.417 1.00 31.56 H new ATOM 0 HA ARG A 97 11.312 1.952 -29.323 1.00 31.87 H new ATOM 0 HB2 ARG A 97 11.052 1.258 -32.257 1.00 32.70 H new ATOM 0 HB3 ARG A 97 10.089 2.462 -31.423 1.00 32.70 H new ATOM 0 HG2 ARG A 97 12.052 3.773 -30.887 1.00 32.43 H new ATOM 0 HG3 ARG A 97 13.122 2.508 -31.456 1.00 32.43 H new ATOM 0 HD2 ARG A 97 11.095 3.722 -33.332 1.00 33.36 H new ATOM 0 HD3 ARG A 97 12.589 4.572 -32.989 1.00 33.36 H new ATOM 0 HE ARG A 97 12.939 1.759 -33.809 1.00 33.97 H new ATOM 0 HH11 ARG A 97 12.607 5.116 -34.870 1.00 35.00 H new ATOM 0 HH12 ARG A 97 13.522 4.858 -36.359 1.00 35.00 H new ATOM 0 HH21 ARG A 97 14.146 1.452 -35.721 1.00 35.29 H new ATOM 0 HH22 ARG A 97 14.386 2.800 -36.837 1.00 35.29 H new ATOM 1446 N THR A 98 10.341 -0.537 -28.816 1.00 31.75 N ATOM 1447 CA THR A 98 9.380 -1.519 -28.323 1.00 32.09 C ATOM 1448 C THR A 98 9.118 -1.274 -26.829 1.00 31.35 C ATOM 1449 O THR A 98 10.026 -0.849 -26.112 1.00 30.48 O ATOM 1450 CB THR A 98 9.935 -2.957 -28.503 1.00 32.35 C ATOM 1451 OG1 THR A 98 10.868 -2.983 -29.592 1.00 32.15 O ATOM 1452 CG2 THR A 98 8.825 -3.967 -28.790 1.00 32.59 C ATOM 0 H THR A 98 11.240 -0.567 -28.334 1.00 31.75 H new ATOM 0 HA THR A 98 8.455 -1.416 -28.890 1.00 32.09 H new ATOM 0 HB THR A 98 10.422 -3.235 -27.569 1.00 32.35 H new ATOM 0 HG1 THR A 98 11.759 -2.738 -29.265 1.00 32.15 H new ATOM 0 HG21 THR A 98 9.258 -4.960 -28.909 1.00 32.59 H new ATOM 0 HG22 THR A 98 8.118 -3.977 -27.960 1.00 32.59 H new ATOM 0 HG23 THR A 98 8.305 -3.686 -29.706 1.00 32.59 H new ATOM 1460 N THR A 99 7.897 -1.526 -26.349 1.00 31.74 N ATOM 1461 CA THR A 99 7.603 -1.352 -24.929 1.00 31.18 C ATOM 1462 C THR A 99 8.034 -2.601 -24.163 1.00 31.15 C ATOM 1463 O THR A 99 7.458 -3.675 -24.346 1.00 31.92 O ATOM 1464 CB THR A 99 6.093 -1.093 -24.694 1.00 31.73 C ATOM 1465 OG1 THR A 99 5.319 -1.951 -25.551 1.00 32.77 O ATOM 1466 CG2 THR A 99 5.709 0.378 -24.952 1.00 31.59 C ATOM 0 H THR A 99 7.110 -1.846 -26.914 1.00 31.74 H new ATOM 0 HA THR A 99 8.156 -0.484 -24.569 1.00 31.18 H new ATOM 0 HB THR A 99 5.879 -1.311 -23.648 1.00 31.73 H new ATOM 0 HG1 THR A 99 5.675 -2.863 -25.509 1.00 32.77 H new ATOM 0 HG21 THR A 99 4.642 0.512 -24.775 1.00 31.59 H new ATOM 0 HG22 THR A 99 6.272 1.025 -24.279 1.00 31.59 H new ATOM 0 HG23 THR A 99 5.941 0.639 -25.985 1.00 31.59 H new ATOM 1474 N THR A 100 9.055 -2.466 -23.326 1.00 30.32 N ATOM 1475 CA THR A 100 9.619 -3.574 -22.607 1.00 30.31 C ATOM 1476 C THR A 100 9.200 -3.539 -21.137 1.00 29.79 C ATOM 1477 O THR A 100 8.896 -2.479 -20.590 1.00 29.19 O ATOM 1478 CB THR A 100 11.154 -3.499 -22.721 1.00 29.94 C ATOM 1479 OG1 THR A 100 11.607 -4.215 -23.879 1.00 30.23 O ATOM 1480 CG2 THR A 100 11.823 -4.027 -21.473 1.00 28.90 C ATOM 0 H THR A 100 9.510 -1.573 -23.134 1.00 30.32 H new ATOM 0 HA THR A 100 9.254 -4.508 -23.035 1.00 30.31 H new ATOM 0 HB THR A 100 11.432 -2.451 -22.829 1.00 29.94 H new ATOM 0 HG1 THR A 100 12.583 -4.157 -23.938 1.00 30.23 H new ATOM 0 HG21 THR A 100 12.905 -3.961 -21.585 1.00 28.90 H new ATOM 0 HG22 THR A 100 11.510 -3.434 -20.614 1.00 28.90 H new ATOM 0 HG23 THR A 100 11.537 -5.068 -21.319 1.00 28.90 H new ATOM 1488 N PHE A 101 9.151 -4.702 -20.514 1.00 30.11 N ATOM 1489 CA PHE A 101 8.867 -4.775 -19.104 1.00 29.74 C ATOM 1490 C PHE A 101 10.146 -4.848 -18.290 1.00 29.28 C ATOM 1491 O PHE A 101 11.186 -5.307 -18.759 1.00 29.75 O ATOM 1492 CB PHE A 101 7.926 -5.928 -18.777 1.00 30.55 C ATOM 1493 CG PHE A 101 6.518 -5.449 -18.582 1.00 30.86 C ATOM 1494 CD1 PHE A 101 5.507 -5.908 -19.414 1.00 30.67 C ATOM 1495 CD2 PHE A 101 6.192 -4.560 -17.570 1.00 31.41 C ATOM 1496 CE1 PHE A 101 4.204 -5.491 -19.245 1.00 31.03 C ATOM 1497 CE2 PHE A 101 4.887 -4.137 -17.395 1.00 31.76 C ATOM 1498 CZ PHE A 101 3.925 -4.517 -18.208 1.00 31.57 C ATOM 0 H PHE A 101 9.305 -5.603 -20.966 1.00 30.11 H new ATOM 0 HA PHE A 101 8.352 -3.855 -18.826 1.00 29.74 H new ATOM 0 HB2 PHE A 101 7.954 -6.662 -19.583 1.00 30.55 H new ATOM 0 HB3 PHE A 101 8.268 -6.433 -17.874 1.00 30.55 H new ATOM 0 HD1 PHE A 101 5.745 -6.603 -20.206 1.00 30.67 H new ATOM 0 HD2 PHE A 101 6.965 -4.194 -16.911 1.00 31.41 H new ATOM 0 HE1 PHE A 101 3.412 -5.879 -19.868 1.00 31.03 H new ATOM 0 HE2 PHE A 101 4.652 -3.479 -16.571 1.00 31.76 H new ATOM 0 HZ PHE A 101 2.932 -4.105 -18.103 1.00 31.57 H new