USER MOD reduce.3.24.130724 H: found=0, std=0, add=1106, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1108 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 11 TYR OH : rot -110:sc= 2.26 USER MOD Set 1.2: A 168 LYS NZ :NH3+ -179:sc= 1.28 (180deg=0.0464) USER MOD Set 2.1: A 150 LYS NZ :NH3+ -177:sc= 1.18 (180deg=0) USER MOD Set 2.2: A 152 TYR OH : rot 40:sc= 2.06 USER MOD Set 3.1: A 138 SER OG : rot 34:sc= 0.829 USER MOD Set 3.2: A 153 ASN : amide:sc= 0.671 X(o=1.5,f=1.1) USER MOD Set 4.1: A 67 ASN : amide:sc= -0.245 X(o=-0.77,f=-0.99) USER MOD Set 4.2: A 100 ASN : amide:sc= -0.522 X(o=-0.77,f=-1.1) USER MOD Set 5.1: A 53 THR OG1 : rot -160:sc= 0 USER MOD Set 5.2: A 56 MET CE :methyl -124:sc= 0 (180deg=-0.312) USER MOD Set 6.1: A 19 GLN : amide:sc= 1.13 K(o=2.1,f=0) USER MOD Set 6.2: A 25 ASN : amide:sc= 0.959 K(o=2.1,f=-0.25) USER MOD Set 7.1: A 17 THR OG1 : rot -75:sc= 1.04 USER MOD Set 7.2: A 27 SER OG : rot -178:sc= 2.06 USER MOD Set 8.1: A 10 ASN : amide:sc= 1.04 K(o=2.3,f=-8.8!) USER MOD Set 8.2: A 147 LYS NZ :NH3+ -160:sc= 1.27 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0.704 K(o=0.7,f=-12!) USER MOD Single : A 21 GLN : amide:sc= -1.06 K(o=-1.1,f=-4.9!) USER MOD Single : A 24 LYS NZ :NH3+ 155:sc= 1.12 (180deg=1.04) USER MOD Single : A 30 SER OG : rot -150:sc= 0.435 USER MOD Single : A 32 LYS NZ :NH3+ 166:sc= 1.08 (180deg=0.539) USER MOD Single : A 43 THR OG1 : rot 40:sc= 0.261 USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -170:sc= 0 (180deg=-0.123) USER MOD Single : A 55 HIS : no HD1:sc= -0.0773 X(o=-0.077,f=-0.077) USER MOD Single : A 57 THR OG1 : rot 104:sc= 0.578 USER MOD Single : A 60 GLN : amide:sc= 1.16 K(o=1.2,f=-0.71) USER MOD Single : A 61 LYS NZ :NH3+ 169:sc= 0.913 (180deg=-0.0766) USER MOD Single : A 62 LYS NZ :NH3+ 174:sc= 0.718 (180deg=0.597) USER MOD Single : A 64 LYS NZ :NH3+ -128:sc= 0.573 (180deg=-0.991!) USER MOD Single : A 74 SER OG : rot -65:sc= 2.03 USER MOD Single : A 76 SER OG : rot 173:sc= -0.191 USER MOD Single : A 81 ASN : amide:sc= 0.33 X(o=0.33,f=-0.055) USER MOD Single : A 83 LYS NZ :NH3+ -143:sc= 1.15 (180deg=-0.991) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.516 X(o=-0.52,f=-0.57) USER MOD Single : A 88 LYS NZ :NH3+ -151:sc= 1.55 (180deg=1.01) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.0135 X(o=-0.014,f=-0.37) USER MOD Single : A 94 TYR OH : rot -9:sc= 1.21 USER MOD Single : A 97 SER OG : rot 180:sc= 0.162 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.00214 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0.0107 USER MOD Single : A 109 GLN : amide:sc= -1.86 K(o=-1.9,f=-3.9!) USER MOD Single : A 110 SER OG : rot 180:sc= 0.146 USER MOD Single : A 118 LYS NZ :NH3+ 165:sc= 2.36 (180deg=2.25) USER MOD Single : A 119 SER OG : rot 84:sc= 0.833 USER MOD Single : A 121 LYS NZ :NH3+ 139:sc= 1.14 (180deg=0.0344) USER MOD Single : A 140 TYR OH : rot -118:sc= 0.716 USER MOD Single : A 160 TYR OH : rot 180:sc= 0 USER MOD Single : A 165 SER OG : rot 95:sc= 1.27 USER MOD Single : A 169 SER OG : rot -66:sc= 0.16 USER MOD Single : A 171 SER OG : rot 180:sc= -0.0133 USER MOD Single : A 172 THR OG1 : rot -53:sc= 0.867 USER MOD ----------------------------------------------------------------- ATOM 112 N ASP A 7 -15.477 -9.951 9.664 1.00 1.00 N ATOM 113 CA ASP A 7 -15.249 -9.706 8.248 1.00 0.80 C ATOM 114 C ASP A 7 -13.735 -9.750 7.918 1.00 0.71 C ATOM 115 O ASP A 7 -13.117 -8.698 7.748 1.00 0.90 O ATOM 116 CB ASP A 7 -15.834 -8.302 7.925 1.00 1.06 C ATOM 117 CG ASP A 7 -15.455 -7.182 8.905 1.00 1.81 C ATOM 118 OD1 ASP A 7 -14.783 -7.479 9.919 1.00 2.27 O ATOM 119 OD2 ASP A 7 -15.859 -6.029 8.673 1.00 3.05 O ATOM 0 HA ASP A 7 -15.732 -10.475 7.646 1.00 0.80 H new ATOM 0 HB2 ASP A 7 -15.506 -8.013 6.927 1.00 1.06 H new ATOM 0 HB3 ASP A 7 -16.921 -8.380 7.893 1.00 1.06 H new ATOM 124 N PRO A 8 -13.086 -10.929 7.839 1.00 0.90 N ATOM 125 CA PRO A 8 -11.712 -11.060 7.354 1.00 1.16 C ATOM 126 C PRO A 8 -11.688 -11.221 5.828 1.00 0.99 C ATOM 127 O PRO A 8 -12.718 -11.520 5.224 1.00 1.23 O ATOM 128 CB PRO A 8 -11.200 -12.343 8.010 1.00 1.55 C ATOM 129 CG PRO A 8 -12.450 -13.224 7.999 1.00 1.55 C ATOM 130 CD PRO A 8 -13.566 -12.223 8.298 1.00 1.22 C ATOM 0 HA PRO A 8 -11.109 -10.184 7.594 1.00 1.16 H new ATOM 0 HB2 PRO A 8 -10.380 -12.790 7.448 1.00 1.55 H new ATOM 0 HB3 PRO A 8 -10.834 -12.166 9.021 1.00 1.55 H new ATOM 0 HG2 PRO A 8 -12.592 -13.714 7.036 1.00 1.55 H new ATOM 0 HG3 PRO A 8 -12.398 -14.010 8.752 1.00 1.55 H new ATOM 0 HD2 PRO A 8 -14.486 -12.501 7.784 1.00 1.22 H new ATOM 0 HD3 PRO A 8 -13.791 -12.199 9.364 1.00 1.22 H new ATOM 138 N LEU A 9 -10.510 -11.069 5.208 1.00 0.88 N ATOM 139 CA LEU A 9 -10.266 -11.456 3.816 1.00 0.76 C ATOM 140 C LEU A 9 -9.097 -12.451 3.718 1.00 0.80 C ATOM 141 O LEU A 9 -8.491 -12.824 4.721 1.00 0.84 O ATOM 142 CB LEU A 9 -10.086 -10.263 2.860 1.00 0.96 C ATOM 143 CG LEU A 9 -10.064 -8.883 3.510 1.00 1.18 C ATOM 144 CD1 LEU A 9 -9.327 -7.930 2.575 1.00 1.49 C ATOM 145 CD2 LEU A 9 -11.470 -8.379 3.839 1.00 1.14 C ATOM 0 H LEU A 9 -9.691 -10.669 5.666 1.00 0.88 H new ATOM 0 HA LEU A 9 -11.173 -11.957 3.477 1.00 0.76 H new ATOM 0 HB2 LEU A 9 -9.154 -10.400 2.312 1.00 0.96 H new ATOM 0 HB3 LEU A 9 -10.893 -10.285 2.127 1.00 0.96 H new ATOM 0 HG LEU A 9 -9.542 -8.941 4.465 1.00 1.18 H new ATOM 0 HD11 LEU A 9 -9.298 -6.935 3.019 1.00 1.49 H new ATOM 0 HD12 LEU A 9 -8.309 -8.288 2.419 1.00 1.49 H new ATOM 0 HD13 LEU A 9 -9.846 -7.885 1.618 1.00 1.49 H new ATOM 0 HD21 LEU A 9 -11.405 -7.393 4.300 1.00 1.14 H new ATOM 0 HD22 LEU A 9 -12.056 -8.313 2.923 1.00 1.14 H new ATOM 0 HD23 LEU A 9 -11.952 -9.071 4.529 1.00 1.14 H new ATOM 157 N ASN A 10 -8.771 -12.867 2.495 1.00 0.84 N ATOM 158 CA ASN A 10 -7.632 -13.680 2.092 1.00 0.97 C ATOM 159 C ASN A 10 -7.264 -13.233 0.680 1.00 1.00 C ATOM 160 O ASN A 10 -7.230 -14.037 -0.250 1.00 1.12 O ATOM 161 CB ASN A 10 -8.003 -15.177 2.080 1.00 1.14 C ATOM 162 CG ASN A 10 -8.517 -15.712 3.412 1.00 1.28 C ATOM 163 OD1 ASN A 10 -7.746 -16.255 4.209 1.00 1.70 O ATOM 164 ND2 ASN A 10 -9.822 -15.615 3.642 1.00 1.63 N ATOM 0 H ASN A 10 -9.351 -12.620 1.693 1.00 0.84 H new ATOM 0 HA ASN A 10 -6.803 -13.553 2.788 1.00 0.97 H new ATOM 0 HB2 ASN A 10 -8.764 -15.343 1.318 1.00 1.14 H new ATOM 0 HB3 ASN A 10 -7.126 -15.753 1.786 1.00 1.14 H new ATOM 0 HD21 ASN A 10 -10.218 -15.996 4.501 1.00 1.63 H new ATOM 0 HD22 ASN A 10 -10.428 -15.159 2.960 1.00 1.63 H new ATOM 171 N TYR A 11 -6.973 -11.942 0.515 1.00 0.93 N ATOM 172 CA TYR A 11 -6.755 -11.380 -0.813 1.00 0.98 C ATOM 173 C TYR A 11 -5.336 -11.738 -1.255 1.00 1.01 C ATOM 174 O TYR A 11 -4.379 -11.288 -0.632 1.00 0.79 O ATOM 175 CB TYR A 11 -6.991 -9.860 -0.782 1.00 0.94 C ATOM 176 CG TYR A 11 -7.793 -9.274 -1.935 1.00 0.99 C ATOM 177 CD1 TYR A 11 -7.685 -9.818 -3.230 1.00 2.09 C ATOM 178 CD2 TYR A 11 -8.551 -8.100 -1.740 1.00 1.92 C ATOM 179 CE1 TYR A 11 -8.446 -9.288 -4.284 1.00 2.11 C ATOM 180 CE2 TYR A 11 -9.279 -7.541 -2.810 1.00 1.99 C ATOM 181 CZ TYR A 11 -9.242 -8.156 -4.071 1.00 1.18 C ATOM 182 OH TYR A 11 -10.155 -7.797 -5.017 1.00 1.32 O ATOM 0 H TYR A 11 -6.884 -11.273 1.279 1.00 0.93 H new ATOM 0 HA TYR A 11 -7.459 -11.795 -1.535 1.00 0.98 H new ATOM 0 HB2 TYR A 11 -7.501 -9.613 0.149 1.00 0.94 H new ATOM 0 HB3 TYR A 11 -6.021 -9.364 -0.755 1.00 0.94 H new ATOM 0 HD1 TYR A 11 -7.015 -10.645 -3.412 1.00 2.09 H new ATOM 0 HD2 TYR A 11 -8.574 -7.628 -0.769 1.00 1.92 H new ATOM 0 HE1 TYR A 11 -8.417 -9.753 -5.258 1.00 2.11 H new ATOM 0 HE2 TYR A 11 -9.862 -6.644 -2.660 1.00 1.99 H new ATOM 0 HH TYR A 11 -9.864 -6.970 -5.455 1.00 1.32 H new ATOM 192 N GLU A 12 -5.176 -12.560 -2.291 1.00 1.41 N ATOM 193 CA GLU A 12 -3.919 -13.248 -2.546 1.00 1.44 C ATOM 194 C GLU A 12 -2.880 -12.260 -3.079 1.00 1.06 C ATOM 195 O GLU A 12 -3.008 -11.782 -4.201 1.00 1.41 O ATOM 196 CB GLU A 12 -4.167 -14.345 -3.593 1.00 2.19 C ATOM 197 CG GLU A 12 -5.118 -15.443 -3.092 1.00 2.96 C ATOM 198 CD GLU A 12 -5.572 -16.366 -4.215 1.00 3.97 C ATOM 199 OE1 GLU A 12 -4.933 -16.345 -5.290 1.00 5.00 O ATOM 200 OE2 GLU A 12 -6.582 -17.070 -3.999 1.00 4.40 O ATOM 0 H GLU A 12 -5.909 -12.764 -2.970 1.00 1.41 H new ATOM 0 HA GLU A 12 -3.545 -13.686 -1.621 1.00 1.44 H new ATOM 0 HB2 GLU A 12 -4.583 -13.894 -4.494 1.00 2.19 H new ATOM 0 HB3 GLU A 12 -3.215 -14.796 -3.873 1.00 2.19 H new ATOM 0 HG2 GLU A 12 -4.619 -16.030 -2.321 1.00 2.96 H new ATOM 0 HG3 GLU A 12 -5.990 -14.982 -2.628 1.00 2.96 H new ATOM 207 N VAL A 13 -1.845 -11.970 -2.289 1.00 0.68 N ATOM 208 CA VAL A 13 -0.701 -11.174 -2.701 1.00 0.60 C ATOM 209 C VAL A 13 0.323 -12.153 -3.293 1.00 0.61 C ATOM 210 O VAL A 13 0.545 -13.229 -2.737 1.00 0.81 O ATOM 211 CB VAL A 13 -0.182 -10.386 -1.476 1.00 0.91 C ATOM 212 CG1 VAL A 13 1.292 -10.628 -1.169 1.00 2.73 C ATOM 213 CG2 VAL A 13 -0.426 -8.882 -1.602 1.00 1.41 C ATOM 0 H VAL A 13 -1.783 -12.292 -1.323 1.00 0.68 H new ATOM 0 HA VAL A 13 -0.938 -10.430 -3.461 1.00 0.60 H new ATOM 0 HB VAL A 13 -0.766 -10.777 -0.642 1.00 0.91 H new ATOM 0 HG11 VAL A 13 1.583 -10.042 -0.297 1.00 2.73 H new ATOM 0 HG12 VAL A 13 1.452 -11.687 -0.964 1.00 2.73 H new ATOM 0 HG13 VAL A 13 1.896 -10.329 -2.026 1.00 2.73 H new ATOM 0 HG21 VAL A 13 -0.043 -8.376 -0.716 1.00 1.41 H new ATOM 0 HG22 VAL A 13 0.086 -8.503 -2.486 1.00 1.41 H new ATOM 0 HG23 VAL A 13 -1.496 -8.693 -1.694 1.00 1.41 H new ATOM 223 N GLU A 14 0.948 -11.789 -4.413 1.00 0.86 N ATOM 224 CA GLU A 14 1.881 -12.674 -5.112 1.00 0.90 C ATOM 225 C GLU A 14 3.341 -12.397 -4.743 1.00 0.81 C ATOM 226 O GLU A 14 3.750 -11.234 -4.731 1.00 0.82 O ATOM 227 CB GLU A 14 1.694 -12.593 -6.625 1.00 1.08 C ATOM 228 CG GLU A 14 0.410 -13.295 -7.085 1.00 1.41 C ATOM 229 CD GLU A 14 0.413 -14.796 -6.801 1.00 2.27 C ATOM 230 OE1 GLU A 14 1.506 -15.397 -6.866 1.00 3.06 O ATOM 231 OE2 GLU A 14 -0.684 -15.324 -6.517 1.00 3.22 O ATOM 0 H GLU A 14 0.824 -10.880 -4.859 1.00 0.86 H new ATOM 0 HA GLU A 14 1.647 -13.687 -4.783 1.00 0.90 H new ATOM 0 HB2 GLU A 14 1.665 -11.547 -6.931 1.00 1.08 H new ATOM 0 HB3 GLU A 14 2.552 -13.046 -7.121 1.00 1.08 H new ATOM 0 HG2 GLU A 14 -0.445 -12.839 -6.586 1.00 1.41 H new ATOM 0 HG3 GLU A 14 0.278 -13.134 -8.155 1.00 1.41 H new ATOM 238 N PRO A 15 4.147 -13.440 -4.467 1.00 0.79 N ATOM 239 CA PRO A 15 5.594 -13.336 -4.379 1.00 0.77 C ATOM 240 C PRO A 15 6.199 -12.678 -5.618 1.00 0.72 C ATOM 241 O PRO A 15 5.788 -12.969 -6.739 1.00 0.72 O ATOM 242 CB PRO A 15 6.109 -14.767 -4.199 1.00 0.83 C ATOM 243 CG PRO A 15 4.934 -15.461 -3.515 1.00 0.90 C ATOM 244 CD PRO A 15 3.730 -14.807 -4.193 1.00 0.85 C ATOM 0 HA PRO A 15 5.886 -12.699 -3.544 1.00 0.77 H new ATOM 0 HB2 PRO A 15 6.355 -15.232 -5.154 1.00 0.83 H new ATOM 0 HB3 PRO A 15 7.011 -14.799 -3.587 1.00 0.83 H new ATOM 0 HG2 PRO A 15 4.952 -16.540 -3.671 1.00 0.90 H new ATOM 0 HG3 PRO A 15 4.934 -15.294 -2.438 1.00 0.90 H new ATOM 0 HD2 PRO A 15 3.463 -15.329 -5.112 1.00 0.85 H new ATOM 0 HD3 PRO A 15 2.853 -14.830 -3.546 1.00 0.85 H new ATOM 252 N PHE A 16 7.189 -11.803 -5.419 1.00 0.73 N ATOM 253 CA PHE A 16 7.927 -11.130 -6.470 1.00 0.75 C ATOM 254 C PHE A 16 9.102 -10.441 -5.778 1.00 0.75 C ATOM 255 O PHE A 16 9.131 -10.403 -4.541 1.00 0.77 O ATOM 256 CB PHE A 16 7.027 -10.121 -7.202 1.00 0.83 C ATOM 257 CG PHE A 16 7.626 -9.565 -8.479 1.00 1.00 C ATOM 258 CD1 PHE A 16 7.689 -10.375 -9.626 1.00 1.84 C ATOM 259 CD2 PHE A 16 8.130 -8.251 -8.521 1.00 2.03 C ATOM 260 CE1 PHE A 16 8.235 -9.868 -10.819 1.00 2.00 C ATOM 261 CE2 PHE A 16 8.677 -7.746 -9.714 1.00 2.19 C ATOM 262 CZ PHE A 16 8.721 -8.550 -10.865 1.00 1.51 C ATOM 0 H PHE A 16 7.503 -11.540 -4.485 1.00 0.73 H new ATOM 0 HA PHE A 16 8.280 -11.827 -7.230 1.00 0.75 H new ATOM 0 HB2 PHE A 16 6.078 -10.603 -7.439 1.00 0.83 H new ATOM 0 HB3 PHE A 16 6.805 -9.294 -6.528 1.00 0.83 H new ATOM 0 HD1 PHE A 16 7.317 -11.388 -9.591 1.00 1.84 H new ATOM 0 HD2 PHE A 16 8.097 -7.631 -7.637 1.00 2.03 H new ATOM 0 HE1 PHE A 16 8.281 -10.491 -11.700 1.00 2.00 H new ATOM 0 HE2 PHE A 16 9.064 -6.738 -9.745 1.00 2.19 H new ATOM 0 HZ PHE A 16 9.128 -8.156 -11.784 1.00 1.51 H new ATOM 272 N THR A 17 10.039 -9.911 -6.567 1.00 0.76 N ATOM 273 CA THR A 17 11.183 -9.152 -6.093 1.00 0.74 C ATOM 274 C THR A 17 11.099 -7.728 -6.631 1.00 0.72 C ATOM 275 O THR A 17 11.273 -7.495 -7.824 1.00 0.93 O ATOM 276 CB THR A 17 12.492 -9.864 -6.440 1.00 0.81 C ATOM 277 OG1 THR A 17 12.437 -11.199 -5.976 1.00 0.87 O ATOM 278 CG2 THR A 17 13.664 -9.168 -5.743 1.00 0.80 C ATOM 0 H THR A 17 10.016 -10.005 -7.582 1.00 0.76 H new ATOM 0 HA THR A 17 11.168 -9.087 -5.005 1.00 0.74 H new ATOM 0 HB THR A 17 12.630 -9.838 -7.521 1.00 0.81 H new ATOM 0 HG1 THR A 17 12.554 -11.212 -5.003 1.00 0.87 H new ATOM 0 HG21 THR A 17 14.593 -9.680 -5.994 1.00 0.80 H new ATOM 0 HG22 THR A 17 13.720 -8.131 -6.074 1.00 0.80 H new ATOM 0 HG23 THR A 17 13.514 -9.197 -4.664 1.00 0.80 H new ATOM 286 N PHE A 18 10.819 -6.786 -5.734 1.00 0.55 N ATOM 287 CA PHE A 18 10.651 -5.375 -6.030 1.00 0.55 C ATOM 288 C PHE A 18 11.954 -4.653 -5.689 1.00 0.55 C ATOM 289 O PHE A 18 12.848 -5.234 -5.072 1.00 0.56 O ATOM 290 CB PHE A 18 9.517 -4.813 -5.161 1.00 0.54 C ATOM 291 CG PHE A 18 8.297 -5.708 -5.009 1.00 0.56 C ATOM 292 CD1 PHE A 18 7.226 -5.620 -5.918 1.00 1.83 C ATOM 293 CD2 PHE A 18 8.233 -6.635 -3.948 1.00 2.26 C ATOM 294 CE1 PHE A 18 6.103 -6.456 -5.770 1.00 1.80 C ATOM 295 CE2 PHE A 18 7.127 -7.491 -3.820 1.00 2.30 C ATOM 296 CZ PHE A 18 6.056 -7.393 -4.723 1.00 0.67 C ATOM 0 H PHE A 18 10.699 -6.998 -4.744 1.00 0.55 H new ATOM 0 HA PHE A 18 10.407 -5.233 -7.083 1.00 0.55 H new ATOM 0 HB2 PHE A 18 9.915 -4.601 -4.169 1.00 0.54 H new ATOM 0 HB3 PHE A 18 9.196 -3.862 -5.585 1.00 0.54 H new ATOM 0 HD1 PHE A 18 7.266 -4.910 -6.731 1.00 1.83 H new ATOM 0 HD2 PHE A 18 9.038 -6.687 -3.230 1.00 2.26 H new ATOM 0 HE1 PHE A 18 5.277 -6.377 -6.461 1.00 1.80 H new ATOM 0 HE2 PHE A 18 7.100 -8.224 -3.028 1.00 2.30 H new ATOM 0 HZ PHE A 18 5.196 -8.037 -4.613 1.00 0.67 H new ATOM 306 N GLN A 19 12.033 -3.365 -6.027 1.00 0.55 N ATOM 307 CA GLN A 19 13.089 -2.486 -5.560 1.00 0.56 C ATOM 308 C GLN A 19 12.445 -1.358 -4.768 1.00 0.56 C ATOM 309 O GLN A 19 11.407 -0.831 -5.178 1.00 0.56 O ATOM 310 CB GLN A 19 13.893 -1.935 -6.737 1.00 0.55 C ATOM 311 CG GLN A 19 14.360 -3.055 -7.675 1.00 0.59 C ATOM 312 CD GLN A 19 15.408 -2.540 -8.653 1.00 1.26 C ATOM 313 OE1 GLN A 19 15.076 -1.906 -9.648 1.00 1.60 O ATOM 314 NE2 GLN A 19 16.681 -2.796 -8.374 1.00 1.94 N ATOM 0 H GLN A 19 11.357 -2.906 -6.638 1.00 0.55 H new ATOM 0 HA GLN A 19 13.783 -3.037 -4.925 1.00 0.56 H new ATOM 0 HB2 GLN A 19 13.283 -1.224 -7.294 1.00 0.55 H new ATOM 0 HB3 GLN A 19 14.759 -1.388 -6.363 1.00 0.55 H new ATOM 0 HG2 GLN A 19 14.774 -3.876 -7.090 1.00 0.59 H new ATOM 0 HG3 GLN A 19 13.508 -3.454 -8.225 1.00 0.59 H new ATOM 0 HE21 GLN A 19 16.923 -3.327 -7.537 1.00 1.94 H new ATOM 0 HE22 GLN A 19 17.417 -2.462 -8.996 1.00 1.94 H new ATOM 323 N ASN A 20 13.047 -1.017 -3.628 1.00 0.60 N ATOM 324 CA ASN A 20 12.607 0.093 -2.798 1.00 0.60 C ATOM 325 C ASN A 20 13.335 1.397 -3.131 1.00 0.74 C ATOM 326 O ASN A 20 14.285 1.423 -3.915 1.00 0.87 O ATOM 327 CB ASN A 20 12.648 -0.285 -1.308 1.00 0.55 C ATOM 328 CG ASN A 20 14.038 -0.238 -0.701 1.00 0.77 C ATOM 329 OD1 ASN A 20 15.009 0.098 -1.375 1.00 1.14 O ATOM 330 ND2 ASN A 20 14.141 -0.542 0.588 1.00 0.82 N ATOM 0 H ASN A 20 13.859 -1.510 -3.256 1.00 0.60 H new ATOM 0 HA ASN A 20 11.562 0.297 -3.032 1.00 0.60 H new ATOM 0 HB2 ASN A 20 11.997 0.391 -0.754 1.00 0.55 H new ATOM 0 HB3 ASN A 20 12.243 -1.290 -1.187 1.00 0.55 H new ATOM 0 HD21 ASN A 20 15.049 -0.501 1.051 1.00 0.82 H new ATOM 0 HD22 ASN A 20 13.312 -0.817 1.115 1.00 0.82 H new ATOM 337 N GLN A 21 12.888 2.487 -2.502 1.00 0.75 N ATOM 338 CA GLN A 21 13.424 3.834 -2.674 1.00 0.94 C ATOM 339 C GLN A 21 14.924 3.899 -2.379 1.00 1.02 C ATOM 340 O GLN A 21 15.625 4.768 -2.893 1.00 1.21 O ATOM 341 CB GLN A 21 12.623 4.833 -1.820 1.00 1.15 C ATOM 342 CG GLN A 21 12.575 4.537 -0.306 1.00 1.31 C ATOM 343 CD GLN A 21 13.915 4.725 0.405 1.00 1.77 C ATOM 344 OE1 GLN A 21 14.661 5.644 0.089 1.00 2.58 O ATOM 345 NE2 GLN A 21 14.240 3.861 1.357 1.00 1.91 N ATOM 0 H GLN A 21 12.116 2.452 -1.836 1.00 0.75 H new ATOM 0 HA GLN A 21 13.312 4.114 -3.721 1.00 0.94 H new ATOM 0 HB2 GLN A 21 13.048 5.827 -1.963 1.00 1.15 H new ATOM 0 HB3 GLN A 21 11.601 4.866 -2.197 1.00 1.15 H new ATOM 0 HG2 GLN A 21 11.834 5.188 0.158 1.00 1.31 H new ATOM 0 HG3 GLN A 21 12.236 3.512 -0.157 1.00 1.31 H new ATOM 0 HE21 GLN A 21 13.600 3.105 1.600 1.00 1.91 H new ATOM 0 HE22 GLN A 21 15.130 3.952 1.846 1.00 1.91 H new ATOM 354 N ASP A 22 15.398 2.966 -1.552 1.00 1.02 N ATOM 355 CA ASP A 22 16.765 2.880 -1.080 1.00 1.20 C ATOM 356 C ASP A 22 17.663 2.290 -2.175 1.00 1.15 C ATOM 357 O ASP A 22 18.881 2.256 -2.023 1.00 1.26 O ATOM 358 CB ASP A 22 16.775 1.970 0.164 1.00 1.32 C ATOM 359 CG ASP A 22 17.436 2.614 1.371 1.00 2.28 C ATOM 360 OD1 ASP A 22 16.865 3.609 1.866 1.00 3.05 O ATOM 361 OD2 ASP A 22 18.445 2.048 1.844 1.00 3.45 O ATOM 0 H ASP A 22 14.807 2.221 -1.182 1.00 1.02 H new ATOM 0 HA ASP A 22 17.145 3.870 -0.829 1.00 1.20 H new ATOM 0 HB2 ASP A 22 15.750 1.703 0.419 1.00 1.32 H new ATOM 0 HB3 ASP A 22 17.296 1.043 -0.076 1.00 1.32 H new ATOM 366 N GLY A 23 17.069 1.773 -3.258 1.00 1.16 N ATOM 367 CA GLY A 23 17.782 0.981 -4.243 1.00 1.32 C ATOM 368 C GLY A 23 18.163 -0.373 -3.647 1.00 1.45 C ATOM 369 O GLY A 23 19.160 -0.970 -4.048 1.00 1.85 O ATOM 0 H GLY A 23 16.079 1.898 -3.468 1.00 1.16 H new ATOM 0 HA2 GLY A 23 17.159 0.837 -5.126 1.00 1.32 H new ATOM 0 HA3 GLY A 23 18.678 1.510 -4.568 1.00 1.32 H new ATOM 373 N LYS A 24 17.361 -0.865 -2.696 1.00 1.16 N ATOM 374 CA LYS A 24 17.510 -2.180 -2.108 1.00 1.00 C ATOM 375 C LYS A 24 16.453 -3.071 -2.753 1.00 0.75 C ATOM 376 O LYS A 24 15.280 -2.696 -2.837 1.00 0.70 O ATOM 377 CB LYS A 24 17.354 -2.086 -0.583 1.00 1.13 C ATOM 378 CG LYS A 24 18.636 -1.563 0.075 1.00 1.27 C ATOM 379 CD LYS A 24 18.372 -1.244 1.552 1.00 2.70 C ATOM 380 CE LYS A 24 19.653 -0.751 2.240 1.00 3.87 C ATOM 381 NZ LYS A 24 19.353 0.149 3.371 1.00 5.88 N ATOM 0 H LYS A 24 16.575 -0.340 -2.312 1.00 1.16 H new ATOM 0 HA LYS A 24 18.498 -2.604 -2.289 1.00 1.00 H new ATOM 0 HB2 LYS A 24 16.522 -1.425 -0.340 1.00 1.13 H new ATOM 0 HB3 LYS A 24 17.109 -3.068 -0.179 1.00 1.13 H new ATOM 0 HG2 LYS A 24 19.428 -2.307 -0.009 1.00 1.27 H new ATOM 0 HG3 LYS A 24 18.982 -0.669 -0.443 1.00 1.27 H new ATOM 0 HD2 LYS A 24 17.595 -0.483 1.631 1.00 2.70 H new ATOM 0 HD3 LYS A 24 18.000 -2.134 2.060 1.00 2.70 H new ATOM 0 HE2 LYS A 24 20.226 -1.606 2.598 1.00 3.87 H new ATOM 0 HE3 LYS A 24 20.278 -0.229 1.515 1.00 3.87 H new ATOM 0 HZ1 LYS A 24 20.140 0.127 4.051 1.00 5.88 H new ATOM 0 HZ2 LYS A 24 19.227 1.119 3.019 1.00 5.88 H new ATOM 0 HZ3 LYS A 24 18.480 -0.164 3.842 1.00 5.88 H new ATOM 395 N ASN A 25 16.881 -4.247 -3.217 1.00 0.69 N ATOM 396 CA ASN A 25 15.981 -5.248 -3.761 1.00 0.63 C ATOM 397 C ASN A 25 15.320 -5.922 -2.567 1.00 0.64 C ATOM 398 O ASN A 25 16.017 -6.378 -1.663 1.00 0.78 O ATOM 399 CB ASN A 25 16.740 -6.285 -4.601 1.00 0.67 C ATOM 400 CG ASN A 25 17.218 -5.747 -5.948 1.00 1.98 C ATOM 401 OD1 ASN A 25 17.148 -4.553 -6.227 1.00 2.83 O ATOM 402 ND2 ASN A 25 17.711 -6.629 -6.812 1.00 2.87 N ATOM 0 H ASN A 25 17.862 -4.525 -3.223 1.00 0.69 H new ATOM 0 HA ASN A 25 15.247 -4.785 -4.421 1.00 0.63 H new ATOM 0 HB2 ASN A 25 17.601 -6.640 -4.034 1.00 0.67 H new ATOM 0 HB3 ASN A 25 16.094 -7.146 -4.771 1.00 0.67 H new ATOM 0 HD21 ASN A 25 18.040 -6.318 -7.726 1.00 2.87 H new ATOM 0 HD22 ASN A 25 17.760 -7.616 -6.561 1.00 2.87 H new ATOM 409 N VAL A 26 13.990 -5.954 -2.550 1.00 0.57 N ATOM 410 CA VAL A 26 13.206 -6.529 -1.471 1.00 0.58 C ATOM 411 C VAL A 26 12.223 -7.503 -2.106 1.00 0.60 C ATOM 412 O VAL A 26 11.530 -7.143 -3.058 1.00 0.61 O ATOM 413 CB VAL A 26 12.507 -5.423 -0.655 1.00 0.59 C ATOM 414 CG1 VAL A 26 13.518 -4.642 0.192 1.00 1.18 C ATOM 415 CG2 VAL A 26 11.734 -4.420 -1.517 1.00 0.87 C ATOM 0 H VAL A 26 13.419 -5.572 -3.304 1.00 0.57 H new ATOM 0 HA VAL A 26 13.836 -7.063 -0.760 1.00 0.58 H new ATOM 0 HB VAL A 26 11.792 -5.948 -0.021 1.00 0.59 H new ATOM 0 HG11 VAL A 26 12.998 -3.868 0.757 1.00 1.18 H new ATOM 0 HG12 VAL A 26 14.017 -5.322 0.882 1.00 1.18 H new ATOM 0 HG13 VAL A 26 14.259 -4.179 -0.460 1.00 1.18 H new ATOM 0 HG21 VAL A 26 11.269 -3.672 -0.876 1.00 0.87 H new ATOM 0 HG22 VAL A 26 12.420 -3.930 -2.208 1.00 0.87 H new ATOM 0 HG23 VAL A 26 10.963 -4.944 -2.082 1.00 0.87 H new ATOM 425 N SER A 27 12.176 -8.738 -1.611 1.00 0.70 N ATOM 426 CA SER A 27 11.212 -9.711 -2.089 1.00 0.73 C ATOM 427 C SER A 27 10.015 -9.713 -1.164 1.00 0.66 C ATOM 428 O SER A 27 10.112 -9.308 -0.007 1.00 0.61 O ATOM 429 CB SER A 27 11.821 -11.109 -2.151 1.00 0.78 C ATOM 430 OG SER A 27 12.765 -11.287 -3.183 1.00 1.79 O ATOM 0 H SER A 27 12.797 -9.083 -0.879 1.00 0.70 H new ATOM 0 HA SER A 27 10.907 -9.435 -3.098 1.00 0.73 H new ATOM 0 HB2 SER A 27 12.299 -11.327 -1.196 1.00 0.78 H new ATOM 0 HB3 SER A 27 11.019 -11.836 -2.279 1.00 0.78 H new ATOM 0 HG SER A 27 13.088 -12.212 -3.175 1.00 1.79 H new ATOM 436 N LEU A 28 8.897 -10.265 -1.633 1.00 0.70 N ATOM 437 CA LEU A 28 7.824 -10.594 -0.723 1.00 0.67 C ATOM 438 C LEU A 28 8.351 -11.515 0.382 1.00 0.58 C ATOM 439 O LEU A 28 7.959 -11.376 1.532 1.00 0.58 O ATOM 440 CB LEU A 28 6.694 -11.259 -1.495 1.00 0.75 C ATOM 441 CG LEU A 28 5.363 -10.986 -0.791 1.00 0.75 C ATOM 442 CD1 LEU A 28 4.772 -9.674 -1.320 1.00 1.05 C ATOM 443 CD2 LEU A 28 4.420 -12.149 -1.069 1.00 1.09 C ATOM 0 H LEU A 28 8.721 -10.486 -2.613 1.00 0.70 H new ATOM 0 HA LEU A 28 7.439 -9.687 -0.257 1.00 0.67 H new ATOM 0 HB2 LEU A 28 6.663 -10.877 -2.515 1.00 0.75 H new ATOM 0 HB3 LEU A 28 6.868 -12.333 -1.562 1.00 0.75 H new ATOM 0 HG LEU A 28 5.510 -10.892 0.285 1.00 0.75 H new ATOM 0 HD11 LEU A 28 3.823 -9.475 -0.821 1.00 1.05 H new ATOM 0 HD12 LEU A 28 5.465 -8.856 -1.121 1.00 1.05 H new ATOM 0 HD13 LEU A 28 4.607 -9.756 -2.394 1.00 1.05 H new ATOM 0 HD21 LEU A 28 3.466 -11.970 -0.574 1.00 1.09 H new ATOM 0 HD22 LEU A 28 4.260 -12.239 -2.143 1.00 1.09 H new ATOM 0 HD23 LEU A 28 4.858 -13.072 -0.689 1.00 1.09 H new ATOM 455 N GLU A 29 9.282 -12.413 0.039 1.00 0.59 N ATOM 456 CA GLU A 29 10.039 -13.249 0.961 1.00 0.64 C ATOM 457 C GLU A 29 10.551 -12.453 2.170 1.00 0.54 C ATOM 458 O GLU A 29 10.571 -12.957 3.288 1.00 0.57 O ATOM 459 CB GLU A 29 11.220 -13.879 0.221 1.00 0.89 C ATOM 460 CG GLU A 29 10.905 -14.577 -1.113 1.00 1.29 C ATOM 461 CD GLU A 29 12.189 -14.811 -1.901 1.00 2.82 C ATOM 462 OE1 GLU A 29 12.684 -13.814 -2.475 1.00 3.96 O ATOM 463 OE2 GLU A 29 12.658 -15.967 -1.895 1.00 3.61 O ATOM 0 H GLU A 29 9.535 -12.580 -0.935 1.00 0.59 H new ATOM 0 HA GLU A 29 9.371 -14.024 1.336 1.00 0.64 H new ATOM 0 HB2 GLU A 29 11.958 -13.100 0.031 1.00 0.89 H new ATOM 0 HB3 GLU A 29 11.688 -14.607 0.884 1.00 0.89 H new ATOM 0 HG2 GLU A 29 10.406 -15.528 -0.925 1.00 1.29 H new ATOM 0 HG3 GLU A 29 10.217 -13.966 -1.698 1.00 1.29 H new ATOM 470 N SER A 30 10.963 -11.200 1.944 1.00 0.52 N ATOM 471 CA SER A 30 11.482 -10.297 2.958 1.00 0.56 C ATOM 472 C SER A 30 10.427 -9.843 3.985 1.00 0.52 C ATOM 473 O SER A 30 10.761 -9.057 4.873 1.00 0.69 O ATOM 474 CB SER A 30 12.168 -9.120 2.272 1.00 0.64 C ATOM 475 OG SER A 30 12.868 -9.529 1.103 1.00 1.31 O ATOM 0 H SER A 30 10.940 -10.780 1.015 1.00 0.52 H new ATOM 0 HA SER A 30 12.213 -10.846 3.551 1.00 0.56 H new ATOM 0 HB2 SER A 30 11.424 -8.369 2.007 1.00 0.64 H new ATOM 0 HB3 SER A 30 12.863 -8.648 2.967 1.00 0.64 H new ATOM 0 HG SER A 30 13.638 -8.940 0.960 1.00 1.31 H new ATOM 481 N LEU A 31 9.155 -10.218 3.786 1.00 0.42 N ATOM 482 CA LEU A 31 7.985 -9.772 4.538 1.00 0.47 C ATOM 483 C LEU A 31 7.050 -10.936 4.917 1.00 0.54 C ATOM 484 O LEU A 31 6.518 -10.983 6.025 1.00 0.61 O ATOM 485 CB LEU A 31 7.224 -8.775 3.657 1.00 0.53 C ATOM 486 CG LEU A 31 8.081 -7.597 3.174 1.00 0.50 C ATOM 487 CD1 LEU A 31 7.387 -6.895 2.010 1.00 0.60 C ATOM 488 CD2 LEU A 31 8.320 -6.636 4.338 1.00 0.50 C ATOM 0 H LEU A 31 8.907 -10.880 3.051 1.00 0.42 H new ATOM 0 HA LEU A 31 8.319 -9.318 5.471 1.00 0.47 H new ATOM 0 HB2 LEU A 31 6.825 -9.301 2.790 1.00 0.53 H new ATOM 0 HB3 LEU A 31 6.372 -8.388 4.215 1.00 0.53 H new ATOM 0 HG LEU A 31 9.046 -7.959 2.820 1.00 0.50 H new ATOM 0 HD11 LEU A 31 8.000 -6.060 1.671 1.00 0.60 H new ATOM 0 HD12 LEU A 31 7.249 -7.600 1.190 1.00 0.60 H new ATOM 0 HD13 LEU A 31 6.416 -6.523 2.336 1.00 0.60 H new ATOM 0 HD21 LEU A 31 8.929 -5.798 3.999 1.00 0.50 H new ATOM 0 HD22 LEU A 31 7.363 -6.265 4.706 1.00 0.50 H new ATOM 0 HD23 LEU A 31 8.839 -7.159 5.141 1.00 0.50 H new ATOM 500 N LYS A 32 6.799 -11.860 3.983 1.00 0.70 N ATOM 501 CA LYS A 32 5.963 -13.034 4.178 1.00 0.75 C ATOM 502 C LYS A 32 6.382 -13.772 5.450 1.00 0.74 C ATOM 503 O LYS A 32 7.571 -13.969 5.691 1.00 0.90 O ATOM 504 CB LYS A 32 6.018 -13.929 2.955 1.00 0.86 C ATOM 505 CG LYS A 32 4.772 -14.823 2.913 1.00 1.04 C ATOM 506 CD LYS A 32 4.789 -15.516 1.566 1.00 1.79 C ATOM 507 CE LYS A 32 3.612 -16.476 1.314 1.00 2.15 C ATOM 508 NZ LYS A 32 3.567 -17.612 2.256 1.00 2.71 N ATOM 0 H LYS A 32 7.188 -11.803 3.042 1.00 0.70 H new ATOM 0 HA LYS A 32 4.926 -12.723 4.305 1.00 0.75 H new ATOM 0 HB2 LYS A 32 6.073 -13.323 2.051 1.00 0.86 H new ATOM 0 HB3 LYS A 32 6.918 -14.544 2.982 1.00 0.86 H new ATOM 0 HG2 LYS A 32 4.788 -15.551 3.724 1.00 1.04 H new ATOM 0 HG3 LYS A 32 3.865 -14.231 3.034 1.00 1.04 H new ATOM 0 HD2 LYS A 32 4.793 -14.757 0.784 1.00 1.79 H new ATOM 0 HD3 LYS A 32 5.720 -16.075 1.473 1.00 1.79 H new ATOM 0 HE2 LYS A 32 2.678 -15.919 1.384 1.00 2.15 H new ATOM 0 HE3 LYS A 32 3.678 -16.861 0.296 1.00 2.15 H new ATOM 0 HZ1 LYS A 32 2.641 -18.080 2.191 1.00 2.71 H new ATOM 0 HZ2 LYS A 32 4.316 -18.292 2.016 1.00 2.71 H new ATOM 0 HZ3 LYS A 32 3.712 -17.265 3.226 1.00 2.71 H new ATOM 522 N GLY A 33 5.405 -14.151 6.269 1.00 0.70 N ATOM 523 CA GLY A 33 5.629 -14.642 7.618 1.00 0.70 C ATOM 524 C GLY A 33 5.189 -13.599 8.641 1.00 0.60 C ATOM 525 O GLY A 33 4.651 -13.975 9.679 1.00 0.61 O ATOM 0 H GLY A 33 4.420 -14.124 6.006 1.00 0.70 H new ATOM 0 HA2 GLY A 33 5.075 -15.568 7.772 1.00 0.70 H new ATOM 0 HA3 GLY A 33 6.685 -14.875 7.757 1.00 0.70 H new ATOM 529 N GLU A 34 5.388 -12.308 8.345 1.00 0.54 N ATOM 530 CA GLU A 34 5.013 -11.218 9.245 1.00 0.54 C ATOM 531 C GLU A 34 3.645 -10.623 8.893 1.00 0.51 C ATOM 532 O GLU A 34 3.091 -10.908 7.832 1.00 0.58 O ATOM 533 CB GLU A 34 6.118 -10.144 9.245 1.00 0.63 C ATOM 534 CG GLU A 34 6.964 -10.221 10.521 1.00 1.16 C ATOM 535 CD GLU A 34 6.240 -9.611 11.715 1.00 2.75 C ATOM 536 OE1 GLU A 34 4.999 -9.775 11.776 1.00 3.88 O ATOM 537 OE2 GLU A 34 6.940 -8.963 12.524 1.00 3.71 O ATOM 0 H GLU A 34 5.814 -11.993 7.473 1.00 0.54 H new ATOM 0 HA GLU A 34 4.916 -11.623 10.252 1.00 0.54 H new ATOM 0 HB2 GLU A 34 6.758 -10.276 8.373 1.00 0.63 H new ATOM 0 HB3 GLU A 34 5.668 -9.155 9.163 1.00 0.63 H new ATOM 0 HG2 GLU A 34 7.206 -11.262 10.735 1.00 1.16 H new ATOM 0 HG3 GLU A 34 7.909 -9.700 10.363 1.00 1.16 H new ATOM 544 N VAL A 35 3.101 -9.783 9.779 1.00 0.47 N ATOM 545 CA VAL A 35 1.846 -9.060 9.553 1.00 0.48 C ATOM 546 C VAL A 35 2.128 -7.622 9.135 1.00 0.49 C ATOM 547 O VAL A 35 2.076 -6.697 9.941 1.00 0.53 O ATOM 548 CB VAL A 35 0.904 -9.189 10.759 1.00 0.57 C ATOM 549 CG1 VAL A 35 1.454 -8.705 12.108 1.00 0.64 C ATOM 550 CG2 VAL A 35 -0.445 -8.524 10.462 1.00 0.62 C ATOM 0 H VAL A 35 3.525 -9.584 10.685 1.00 0.47 H new ATOM 0 HA VAL A 35 1.311 -9.518 8.721 1.00 0.48 H new ATOM 0 HB VAL A 35 0.786 -10.265 10.888 1.00 0.57 H new ATOM 0 HG11 VAL A 35 0.699 -8.847 12.881 1.00 0.64 H new ATOM 0 HG12 VAL A 35 2.346 -9.277 12.363 1.00 0.64 H new ATOM 0 HG13 VAL A 35 1.708 -7.647 12.039 1.00 0.64 H new ATOM 0 HG21 VAL A 35 -1.099 -8.626 11.328 1.00 0.62 H new ATOM 0 HG22 VAL A 35 -0.290 -7.467 10.246 1.00 0.62 H new ATOM 0 HG23 VAL A 35 -0.906 -9.006 9.600 1.00 0.62 H new ATOM 560 N TRP A 36 2.434 -7.431 7.855 1.00 0.55 N ATOM 561 CA TRP A 36 2.944 -6.171 7.347 1.00 0.51 C ATOM 562 C TRP A 36 1.868 -5.430 6.564 1.00 0.48 C ATOM 563 O TRP A 36 0.972 -6.033 5.985 1.00 0.50 O ATOM 564 CB TRP A 36 4.210 -6.436 6.534 1.00 0.47 C ATOM 565 CG TRP A 36 4.044 -7.381 5.391 1.00 0.38 C ATOM 566 CD1 TRP A 36 3.999 -8.730 5.447 1.00 0.47 C ATOM 567 CD2 TRP A 36 3.916 -7.037 3.992 1.00 0.39 C ATOM 568 NE1 TRP A 36 3.813 -9.241 4.180 1.00 0.54 N ATOM 569 CE2 TRP A 36 3.784 -8.235 3.233 1.00 0.55 C ATOM 570 CE3 TRP A 36 3.924 -5.818 3.297 1.00 0.42 C ATOM 571 CZ2 TRP A 36 3.663 -8.219 1.838 1.00 0.73 C ATOM 572 CZ3 TRP A 36 3.820 -5.796 1.899 1.00 0.66 C ATOM 573 CH2 TRP A 36 3.683 -6.980 1.175 1.00 0.79 C ATOM 0 H TRP A 36 2.333 -8.152 7.141 1.00 0.55 H new ATOM 0 HA TRP A 36 3.216 -5.513 8.172 1.00 0.51 H new ATOM 0 HB2 TRP A 36 4.581 -5.486 6.149 1.00 0.47 H new ATOM 0 HB3 TRP A 36 4.976 -6.830 7.202 1.00 0.47 H new ATOM 0 HD1 TRP A 36 4.094 -9.319 6.347 1.00 0.47 H new ATOM 0 HE1 TRP A 36 3.710 -10.234 3.969 1.00 0.54 H new ATOM 0 HE3 TRP A 36 4.011 -4.890 3.843 1.00 0.42 H new ATOM 0 HZ2 TRP A 36 3.557 -9.139 1.283 1.00 0.73 H new ATOM 0 HZ3 TRP A 36 3.846 -4.851 1.377 1.00 0.66 H new ATOM 0 HH2 TRP A 36 3.592 -6.945 0.099 1.00 0.79 H new ATOM 584 N LEU A 37 1.922 -4.101 6.590 1.00 0.57 N ATOM 585 CA LEU A 37 0.911 -3.263 5.973 1.00 0.65 C ATOM 586 C LEU A 37 1.402 -2.880 4.571 1.00 0.55 C ATOM 587 O LEU A 37 2.617 -2.820 4.366 1.00 0.40 O ATOM 588 CB LEU A 37 0.669 -2.038 6.863 1.00 0.74 C ATOM 589 CG LEU A 37 0.747 -2.249 8.393 1.00 0.70 C ATOM 590 CD1 LEU A 37 0.353 -0.945 9.097 1.00 0.78 C ATOM 591 CD2 LEU A 37 -0.209 -3.352 8.863 1.00 0.81 C ATOM 0 H LEU A 37 2.672 -3.578 7.042 1.00 0.57 H new ATOM 0 HA LEU A 37 -0.041 -3.785 5.871 1.00 0.65 H new ATOM 0 HB2 LEU A 37 1.396 -1.273 6.590 1.00 0.74 H new ATOM 0 HB3 LEU A 37 -0.317 -1.639 6.627 1.00 0.74 H new ATOM 0 HG LEU A 37 1.768 -2.542 8.638 1.00 0.70 H new ATOM 0 HD11 LEU A 37 0.405 -1.084 10.177 1.00 0.78 H new ATOM 0 HD12 LEU A 37 1.037 -0.150 8.800 1.00 0.78 H new ATOM 0 HD13 LEU A 37 -0.664 -0.672 8.815 1.00 0.78 H new ATOM 0 HD21 LEU A 37 -0.125 -3.470 9.943 1.00 0.81 H new ATOM 0 HD22 LEU A 37 -1.233 -3.080 8.606 1.00 0.81 H new ATOM 0 HD23 LEU A 37 0.050 -4.291 8.374 1.00 0.81 H new ATOM 603 N ALA A 38 0.509 -2.648 3.599 1.00 0.74 N ATOM 604 CA ALA A 38 0.932 -2.290 2.244 1.00 0.80 C ATOM 605 C ALA A 38 -0.005 -1.318 1.552 1.00 1.23 C ATOM 606 O ALA A 38 -1.015 -1.701 0.968 1.00 2.25 O ATOM 607 CB ALA A 38 1.106 -3.499 1.360 1.00 1.10 C ATOM 0 H ALA A 38 -0.502 -2.702 3.727 1.00 0.74 H new ATOM 0 HA ALA A 38 1.894 -1.797 2.386 1.00 0.80 H new ATOM 0 HB1 ALA A 38 1.420 -3.181 0.366 1.00 1.10 H new ATOM 0 HB2 ALA A 38 1.864 -4.156 1.787 1.00 1.10 H new ATOM 0 HB3 ALA A 38 0.160 -4.036 1.287 1.00 1.10 H new ATOM 613 N ASP A 39 0.416 -0.066 1.548 1.00 0.70 N ATOM 614 CA ASP A 39 -0.453 1.082 1.359 1.00 0.63 C ATOM 615 C ASP A 39 0.099 1.923 0.215 1.00 0.90 C ATOM 616 O ASP A 39 0.994 2.748 0.400 1.00 2.11 O ATOM 617 CB ASP A 39 -0.611 1.831 2.687 1.00 0.84 C ATOM 618 CG ASP A 39 -0.966 0.891 3.842 1.00 2.24 C ATOM 619 OD1 ASP A 39 -1.908 0.085 3.679 1.00 3.66 O ATOM 620 OD2 ASP A 39 -0.259 0.957 4.867 1.00 2.78 O ATOM 0 H ASP A 39 1.395 0.187 1.679 1.00 0.70 H new ATOM 0 HA ASP A 39 -1.462 0.788 1.070 1.00 0.63 H new ATOM 0 HB2 ASP A 39 0.316 2.355 2.919 1.00 0.84 H new ATOM 0 HB3 ASP A 39 -1.388 2.588 2.585 1.00 0.84 H new ATOM 625 N PHE A 40 -0.397 1.638 -0.990 1.00 0.85 N ATOM 626 CA PHE A 40 0.087 2.183 -2.248 1.00 0.91 C ATOM 627 C PHE A 40 -0.585 3.523 -2.551 1.00 0.85 C ATOM 628 O PHE A 40 -1.767 3.700 -2.260 1.00 0.99 O ATOM 629 CB PHE A 40 -0.161 1.158 -3.363 1.00 1.25 C ATOM 630 CG PHE A 40 -1.597 0.672 -3.506 1.00 1.28 C ATOM 631 CD1 PHE A 40 -2.502 1.365 -4.334 1.00 2.22 C ATOM 632 CD2 PHE A 40 -2.042 -0.458 -2.792 1.00 2.22 C ATOM 633 CE1 PHE A 40 -3.829 0.925 -4.462 1.00 2.40 C ATOM 634 CE2 PHE A 40 -3.369 -0.900 -2.925 1.00 2.34 C ATOM 635 CZ PHE A 40 -4.262 -0.216 -3.766 1.00 1.75 C ATOM 0 H PHE A 40 -1.178 0.995 -1.115 1.00 0.85 H new ATOM 0 HA PHE A 40 1.158 2.374 -2.180 1.00 0.91 H new ATOM 0 HB2 PHE A 40 0.151 1.597 -4.311 1.00 1.25 H new ATOM 0 HB3 PHE A 40 0.480 0.294 -3.186 1.00 1.25 H new ATOM 0 HD1 PHE A 40 -2.173 2.241 -4.874 1.00 2.22 H new ATOM 0 HD2 PHE A 40 -1.361 -0.986 -2.141 1.00 2.22 H new ATOM 0 HE1 PHE A 40 -4.517 1.464 -5.096 1.00 2.40 H new ATOM 0 HE2 PHE A 40 -3.704 -1.769 -2.378 1.00 2.34 H new ATOM 0 HZ PHE A 40 -5.278 -0.566 -3.877 1.00 1.75 H new ATOM 645 N ILE A 41 0.164 4.462 -3.138 1.00 0.80 N ATOM 646 CA ILE A 41 -0.316 5.795 -3.480 1.00 0.83 C ATOM 647 C ILE A 41 0.440 6.325 -4.700 1.00 0.78 C ATOM 648 O ILE A 41 1.612 5.996 -4.893 1.00 0.80 O ATOM 649 CB ILE A 41 -0.194 6.785 -2.295 1.00 0.94 C ATOM 650 CG1 ILE A 41 1.244 7.153 -1.868 1.00 1.19 C ATOM 651 CG2 ILE A 41 -1.043 6.377 -1.084 1.00 1.16 C ATOM 652 CD1 ILE A 41 2.121 5.999 -1.368 1.00 1.56 C ATOM 0 H ILE A 41 1.140 4.309 -3.392 1.00 0.80 H new ATOM 0 HA ILE A 41 -1.376 5.712 -3.718 1.00 0.83 H new ATOM 0 HB ILE A 41 -0.606 7.705 -2.710 1.00 0.94 H new ATOM 0 HG12 ILE A 41 1.744 7.620 -2.717 1.00 1.19 H new ATOM 0 HG13 ILE A 41 1.185 7.904 -1.080 1.00 1.19 H new ATOM 0 HG21 ILE A 41 -0.915 7.109 -0.287 1.00 1.16 H new ATOM 0 HG22 ILE A 41 -2.093 6.335 -1.373 1.00 1.16 H new ATOM 0 HG23 ILE A 41 -0.725 5.396 -0.730 1.00 1.16 H new ATOM 0 HD11 ILE A 41 3.106 6.381 -1.098 1.00 1.56 H new ATOM 0 HD12 ILE A 41 1.657 5.542 -0.494 1.00 1.56 H new ATOM 0 HD13 ILE A 41 2.225 5.253 -2.156 1.00 1.56 H new ATOM 664 N PHE A 42 -0.231 7.159 -5.496 1.00 0.96 N ATOM 665 CA PHE A 42 0.400 8.103 -6.414 1.00 0.86 C ATOM 666 C PHE A 42 0.783 9.351 -5.606 1.00 0.88 C ATOM 667 O PHE A 42 0.519 9.433 -4.407 1.00 1.49 O ATOM 668 CB PHE A 42 -0.548 8.423 -7.587 1.00 0.93 C ATOM 669 CG PHE A 42 -2.012 8.506 -7.191 1.00 0.97 C ATOM 670 CD1 PHE A 42 -2.509 9.657 -6.551 1.00 1.82 C ATOM 671 CD2 PHE A 42 -2.816 7.355 -7.276 1.00 1.99 C ATOM 672 CE1 PHE A 42 -3.790 9.642 -5.971 1.00 1.88 C ATOM 673 CE2 PHE A 42 -4.086 7.332 -6.677 1.00 1.98 C ATOM 674 CZ PHE A 42 -4.567 8.473 -6.016 1.00 1.07 C ATOM 0 H PHE A 42 -1.250 7.196 -5.519 1.00 0.96 H new ATOM 0 HA PHE A 42 1.301 7.681 -6.859 1.00 0.86 H new ATOM 0 HB2 PHE A 42 -0.249 9.371 -8.035 1.00 0.93 H new ATOM 0 HB3 PHE A 42 -0.432 7.657 -8.354 1.00 0.93 H new ATOM 0 HD1 PHE A 42 -1.906 10.552 -6.505 1.00 1.82 H new ATOM 0 HD2 PHE A 42 -2.455 6.485 -7.804 1.00 1.99 H new ATOM 0 HE1 PHE A 42 -4.176 10.529 -5.491 1.00 1.88 H new ATOM 0 HE2 PHE A 42 -4.691 6.439 -6.725 1.00 1.98 H new ATOM 0 HZ PHE A 42 -5.537 8.452 -5.541 1.00 1.07 H new ATOM 684 N THR A 43 1.448 10.312 -6.241 1.00 0.87 N ATOM 685 CA THR A 43 2.173 11.379 -5.567 1.00 1.01 C ATOM 686 C THR A 43 2.260 12.601 -6.495 1.00 1.17 C ATOM 687 O THR A 43 3.301 13.245 -6.652 1.00 2.63 O ATOM 688 CB THR A 43 3.524 10.799 -5.133 1.00 1.37 C ATOM 689 OG1 THR A 43 4.295 11.732 -4.425 1.00 1.87 O ATOM 690 CG2 THR A 43 4.299 10.276 -6.335 1.00 2.70 C ATOM 0 H THR A 43 1.498 10.370 -7.258 1.00 0.87 H new ATOM 0 HA THR A 43 1.670 11.741 -4.670 1.00 1.01 H new ATOM 0 HB THR A 43 3.313 9.968 -4.460 1.00 1.37 H new ATOM 0 HG1 THR A 43 3.715 12.250 -3.829 1.00 1.87 H new ATOM 0 HG21 THR A 43 5.254 9.869 -6.003 1.00 2.70 H new ATOM 0 HG22 THR A 43 3.722 9.493 -6.827 1.00 2.70 H new ATOM 0 HG23 THR A 43 4.476 11.091 -7.037 1.00 2.70 H new ATOM 771 N CYS A 49 -2.779 18.469 0.945 1.00 2.21 N ATOM 772 CA CYS A 49 -3.833 19.008 1.794 1.00 2.08 C ATOM 773 C CYS A 49 -4.641 17.879 2.450 1.00 1.66 C ATOM 774 O CYS A 49 -4.666 17.817 3.678 1.00 1.52 O ATOM 775 CB CYS A 49 -4.724 19.984 1.012 1.00 2.42 C ATOM 776 SG CYS A 49 -6.178 20.370 2.014 1.00 2.34 S ATOM 0 HA CYS A 49 -3.369 19.577 2.600 1.00 2.08 H new ATOM 0 HB2 CYS A 49 -4.173 20.895 0.779 1.00 2.42 H new ATOM 0 HB3 CYS A 49 -5.026 19.542 0.062 1.00 2.42 H new ATOM 0 HG CYS A 49 -6.943 21.198 1.367 1.00 2.34 H new ATOM 782 N PRO A 50 -5.286 16.967 1.693 1.00 1.59 N ATOM 783 CA PRO A 50 -6.013 15.865 2.307 1.00 1.37 C ATOM 784 C PRO A 50 -5.065 14.964 3.112 1.00 1.03 C ATOM 785 O PRO A 50 -3.873 14.879 2.797 1.00 1.06 O ATOM 786 CB PRO A 50 -6.686 15.107 1.157 1.00 1.67 C ATOM 787 CG PRO A 50 -5.822 15.457 -0.052 1.00 1.87 C ATOM 788 CD PRO A 50 -5.415 16.899 0.243 1.00 1.88 C ATOM 0 HA PRO A 50 -6.758 16.221 3.019 1.00 1.37 H new ATOM 0 HB2 PRO A 50 -6.704 14.033 1.340 1.00 1.67 H new ATOM 0 HB3 PRO A 50 -7.720 15.424 1.017 1.00 1.67 H new ATOM 0 HG2 PRO A 50 -4.957 14.800 -0.137 1.00 1.87 H new ATOM 0 HG3 PRO A 50 -6.378 15.375 -0.986 1.00 1.87 H new ATOM 0 HD2 PRO A 50 -4.476 17.152 -0.249 1.00 1.88 H new ATOM 0 HD3 PRO A 50 -6.164 17.602 -0.120 1.00 1.88 H new ATOM 796 N PRO A 51 -5.567 14.283 4.155 1.00 0.87 N ATOM 797 CA PRO A 51 -4.753 13.482 5.057 1.00 0.74 C ATOM 798 C PRO A 51 -4.422 12.125 4.438 1.00 0.73 C ATOM 799 O PRO A 51 -4.798 11.078 4.965 1.00 0.98 O ATOM 800 CB PRO A 51 -5.600 13.364 6.322 1.00 0.89 C ATOM 801 CG PRO A 51 -7.028 13.340 5.778 1.00 1.05 C ATOM 802 CD PRO A 51 -6.948 14.328 4.614 1.00 1.05 C ATOM 0 HA PRO A 51 -3.783 13.931 5.269 1.00 0.74 H new ATOM 0 HB2 PRO A 51 -5.366 12.458 6.882 1.00 0.89 H new ATOM 0 HB3 PRO A 51 -5.439 14.206 6.996 1.00 0.89 H new ATOM 0 HG2 PRO A 51 -7.321 12.344 5.447 1.00 1.05 H new ATOM 0 HG3 PRO A 51 -7.755 13.653 6.528 1.00 1.05 H new ATOM 0 HD2 PRO A 51 -7.636 14.049 3.815 1.00 1.05 H new ATOM 0 HD3 PRO A 51 -7.222 15.333 4.934 1.00 1.05 H new ATOM 810 N MET A 52 -3.698 12.158 3.317 1.00 0.66 N ATOM 811 CA MET A 52 -3.317 10.958 2.590 1.00 0.69 C ATOM 812 C MET A 52 -2.272 10.192 3.403 1.00 0.63 C ATOM 813 O MET A 52 -2.617 9.289 4.165 1.00 0.86 O ATOM 814 CB MET A 52 -2.860 11.311 1.164 1.00 0.86 C ATOM 815 CG MET A 52 -2.598 10.038 0.344 1.00 1.56 C ATOM 816 SD MET A 52 -2.131 10.262 -1.393 1.00 1.91 S ATOM 817 CE MET A 52 -3.627 11.019 -2.061 1.00 1.61 C ATOM 0 H MET A 52 -3.362 13.022 2.892 1.00 0.66 H new ATOM 0 HA MET A 52 -4.174 10.297 2.465 1.00 0.69 H new ATOM 0 HB2 MET A 52 -3.622 11.915 0.672 1.00 0.86 H new ATOM 0 HB3 MET A 52 -1.953 11.914 1.207 1.00 0.86 H new ATOM 0 HG2 MET A 52 -1.807 9.473 0.838 1.00 1.56 H new ATOM 0 HG3 MET A 52 -3.497 9.423 0.377 1.00 1.56 H new ATOM 0 HE1 MET A 52 -3.563 11.054 -3.149 1.00 1.61 H new ATOM 0 HE2 MET A 52 -4.495 10.429 -1.767 1.00 1.61 H new ATOM 0 HE3 MET A 52 -3.728 12.032 -1.671 1.00 1.61 H new ATOM 827 N THR A 53 -0.992 10.560 3.302 1.00 0.64 N ATOM 828 CA THR A 53 0.053 9.855 4.020 1.00 0.61 C ATOM 829 C THR A 53 0.158 10.488 5.406 1.00 0.75 C ATOM 830 O THR A 53 1.192 11.027 5.772 1.00 1.55 O ATOM 831 CB THR A 53 1.334 9.894 3.175 1.00 0.79 C ATOM 832 OG1 THR A 53 1.016 9.463 1.867 1.00 1.16 O ATOM 833 CG2 THR A 53 2.432 8.984 3.722 1.00 0.93 C ATOM 0 H THR A 53 -0.664 11.339 2.731 1.00 0.64 H new ATOM 0 HA THR A 53 -0.156 8.797 4.178 1.00 0.61 H new ATOM 0 HB THR A 53 1.710 10.917 3.194 1.00 0.79 H new ATOM 0 HG1 THR A 53 1.834 9.177 1.409 1.00 1.16 H new ATOM 0 HG21 THR A 53 3.313 9.053 3.084 1.00 0.93 H new ATOM 0 HG22 THR A 53 2.692 9.295 4.734 1.00 0.93 H new ATOM 0 HG23 THR A 53 2.076 7.954 3.739 1.00 0.93 H new ATOM 841 N ALA A 54 -0.956 10.461 6.144 1.00 0.63 N ATOM 842 CA ALA A 54 -1.105 11.074 7.458 1.00 0.63 C ATOM 843 C ALA A 54 -1.489 9.989 8.455 1.00 0.62 C ATOM 844 O ALA A 54 -0.737 9.697 9.380 1.00 0.64 O ATOM 845 CB ALA A 54 -2.159 12.182 7.396 1.00 0.83 C ATOM 0 H ALA A 54 -1.806 9.994 5.828 1.00 0.63 H new ATOM 0 HA ALA A 54 -0.169 11.531 7.779 1.00 0.63 H new ATOM 0 HB1 ALA A 54 -2.267 12.637 8.381 1.00 0.83 H new ATOM 0 HB2 ALA A 54 -1.848 12.940 6.678 1.00 0.83 H new ATOM 0 HB3 ALA A 54 -3.114 11.759 7.086 1.00 0.83 H new ATOM 851 N HIS A 55 -2.629 9.332 8.229 1.00 0.70 N ATOM 852 CA HIS A 55 -3.023 8.167 9.010 1.00 0.73 C ATOM 853 C HIS A 55 -1.909 7.123 8.964 1.00 0.70 C ATOM 854 O HIS A 55 -1.516 6.569 9.985 1.00 0.70 O ATOM 855 CB HIS A 55 -4.337 7.607 8.460 1.00 0.84 C ATOM 856 CG HIS A 55 -5.446 8.627 8.460 1.00 0.94 C ATOM 857 ND1 HIS A 55 -6.140 9.073 7.359 1.00 1.12 N ATOM 858 CD2 HIS A 55 -5.901 9.320 9.550 1.00 0.98 C ATOM 859 CE1 HIS A 55 -7.023 9.989 7.791 1.00 1.22 C ATOM 860 NE2 HIS A 55 -6.912 10.179 9.116 1.00 1.13 N ATOM 0 H HIS A 55 -3.297 9.593 7.504 1.00 0.70 H new ATOM 0 HA HIS A 55 -3.182 8.448 10.051 1.00 0.73 H new ATOM 0 HB2 HIS A 55 -4.178 7.249 7.443 1.00 0.84 H new ATOM 0 HB3 HIS A 55 -4.639 6.747 9.057 1.00 0.84 H new ATOM 0 HD2 HIS A 55 -5.542 9.220 10.564 1.00 0.98 H new ATOM 0 HE1 HIS A 55 -7.729 10.504 7.157 1.00 1.22 H new ATOM 0 HE2 HIS A 55 -7.457 10.822 9.690 1.00 1.13 H new ATOM 868 N MET A 56 -1.369 6.901 7.764 1.00 0.73 N ATOM 869 CA MET A 56 -0.196 6.076 7.534 1.00 0.76 C ATOM 870 C MET A 56 0.973 6.492 8.446 1.00 0.70 C ATOM 871 O MET A 56 1.629 5.637 9.037 1.00 0.75 O ATOM 872 CB MET A 56 0.123 6.085 6.031 1.00 0.89 C ATOM 873 CG MET A 56 -1.007 5.426 5.211 1.00 1.09 C ATOM 874 SD MET A 56 -1.319 6.100 3.555 1.00 1.69 S ATOM 875 CE MET A 56 0.181 5.628 2.675 1.00 2.45 C ATOM 0 H MET A 56 -1.750 7.303 6.908 1.00 0.73 H new ATOM 0 HA MET A 56 -0.391 5.041 7.813 1.00 0.76 H new ATOM 0 HB2 MET A 56 0.268 7.112 5.694 1.00 0.89 H new ATOM 0 HB3 MET A 56 1.059 5.556 5.853 1.00 0.89 H new ATOM 0 HG2 MET A 56 -0.777 4.365 5.108 1.00 1.09 H new ATOM 0 HG3 MET A 56 -1.930 5.498 5.786 1.00 1.09 H new ATOM 0 HE1 MET A 56 0.649 6.516 2.250 1.00 2.45 H new ATOM 0 HE2 MET A 56 0.874 5.149 3.367 1.00 2.45 H new ATOM 0 HE3 MET A 56 -0.071 4.933 1.874 1.00 2.45 H new ATOM 885 N THR A 57 1.211 7.794 8.625 1.00 0.66 N ATOM 886 CA THR A 57 2.251 8.288 9.515 1.00 0.66 C ATOM 887 C THR A 57 1.910 7.992 10.969 1.00 0.66 C ATOM 888 O THR A 57 2.755 7.493 11.712 1.00 0.70 O ATOM 889 CB THR A 57 2.481 9.784 9.284 1.00 0.74 C ATOM 890 OG1 THR A 57 2.722 9.989 7.912 1.00 1.87 O ATOM 891 CG2 THR A 57 3.671 10.307 10.086 1.00 1.61 C ATOM 0 H THR A 57 0.685 8.531 8.155 1.00 0.66 H new ATOM 0 HA THR A 57 3.180 7.766 9.288 1.00 0.66 H new ATOM 0 HB THR A 57 1.595 10.326 9.615 1.00 0.74 H new ATOM 0 HG1 THR A 57 1.920 10.363 7.491 1.00 1.87 H new ATOM 0 HG21 THR A 57 3.800 11.372 9.894 1.00 1.61 H new ATOM 0 HG22 THR A 57 3.491 10.150 11.149 1.00 1.61 H new ATOM 0 HG23 THR A 57 4.573 9.773 9.788 1.00 1.61 H new ATOM 899 N ASP A 58 0.681 8.290 11.396 1.00 0.62 N ATOM 900 CA ASP A 58 0.336 8.058 12.789 1.00 0.62 C ATOM 901 C ASP A 58 0.386 6.569 13.125 1.00 0.71 C ATOM 902 O ASP A 58 0.789 6.174 14.216 1.00 0.83 O ATOM 903 CB ASP A 58 -0.982 8.700 13.204 1.00 0.80 C ATOM 904 CG ASP A 58 -0.948 8.920 14.710 1.00 1.61 C ATOM 905 OD1 ASP A 58 -0.179 9.798 15.160 1.00 2.95 O ATOM 906 OD2 ASP A 58 -1.569 8.140 15.467 1.00 2.31 O ATOM 0 H ASP A 58 -0.064 8.678 10.817 1.00 0.62 H new ATOM 0 HA ASP A 58 1.097 8.562 13.385 1.00 0.62 H new ATOM 0 HB2 ASP A 58 -1.124 9.647 12.684 1.00 0.80 H new ATOM 0 HB3 ASP A 58 -1.820 8.058 12.932 1.00 0.80 H new ATOM 911 N LEU A 59 0.041 5.717 12.160 1.00 0.71 N ATOM 912 CA LEU A 59 0.301 4.297 12.301 1.00 0.72 C ATOM 913 C LEU A 59 1.799 3.989 12.268 1.00 0.73 C ATOM 914 O LEU A 59 2.195 3.086 12.985 1.00 0.78 O ATOM 915 CB LEU A 59 -0.504 3.449 11.306 1.00 0.71 C ATOM 916 CG LEU A 59 -1.757 2.841 11.957 1.00 0.82 C ATOM 917 CD1 LEU A 59 -2.846 3.906 12.002 1.00 1.24 C ATOM 918 CD2 LEU A 59 -2.263 1.606 11.204 1.00 1.01 C ATOM 0 H LEU A 59 -0.412 5.986 11.287 1.00 0.71 H new ATOM 0 HA LEU A 59 -0.054 4.007 13.290 1.00 0.72 H new ATOM 0 HB2 LEU A 59 -0.799 4.066 10.457 1.00 0.71 H new ATOM 0 HB3 LEU A 59 0.127 2.650 10.916 1.00 0.71 H new ATOM 0 HG LEU A 59 -1.496 2.513 12.963 1.00 0.82 H new ATOM 0 HD11 LEU A 59 -3.743 3.490 12.462 1.00 1.24 H new ATOM 0 HD12 LEU A 59 -2.499 4.757 12.588 1.00 1.24 H new ATOM 0 HD13 LEU A 59 -3.076 4.234 10.988 1.00 1.24 H new ATOM 0 HD21 LEU A 59 -3.149 1.213 11.703 1.00 1.01 H new ATOM 0 HD22 LEU A 59 -2.515 1.882 10.180 1.00 1.01 H new ATOM 0 HD23 LEU A 59 -1.485 0.843 11.193 1.00 1.01 H new ATOM 930 N GLN A 60 2.646 4.705 11.512 1.00 0.71 N ATOM 931 CA GLN A 60 4.102 4.503 11.501 1.00 0.71 C ATOM 932 C GLN A 60 4.681 4.569 12.922 1.00 0.69 C ATOM 933 O GLN A 60 5.564 3.799 13.287 1.00 0.70 O ATOM 934 CB GLN A 60 4.795 5.507 10.564 1.00 0.75 C ATOM 935 CG GLN A 60 6.094 4.973 9.938 1.00 1.06 C ATOM 936 CD GLN A 60 7.301 4.882 10.870 1.00 1.15 C ATOM 937 OE1 GLN A 60 7.446 5.677 11.793 1.00 2.50 O ATOM 938 NE2 GLN A 60 8.204 3.944 10.588 1.00 1.31 N ATOM 0 H GLN A 60 2.336 5.447 10.885 1.00 0.71 H new ATOM 0 HA GLN A 60 4.298 3.503 11.113 1.00 0.71 H new ATOM 0 HB2 GLN A 60 4.105 5.783 9.767 1.00 0.75 H new ATOM 0 HB3 GLN A 60 5.018 6.417 11.122 1.00 0.75 H new ATOM 0 HG2 GLN A 60 5.897 3.980 9.534 1.00 1.06 H new ATOM 0 HG3 GLN A 60 6.358 5.613 9.096 1.00 1.06 H new ATOM 0 HE21 GLN A 60 8.046 3.301 9.812 1.00 1.31 H new ATOM 0 HE22 GLN A 60 9.053 3.868 11.148 1.00 1.31 H new ATOM 947 N LYS A 61 4.150 5.472 13.745 1.00 0.70 N ATOM 948 CA LYS A 61 4.477 5.567 15.158 1.00 0.72 C ATOM 949 C LYS A 61 4.195 4.227 15.836 1.00 0.71 C ATOM 950 O LYS A 61 5.122 3.564 16.299 1.00 0.76 O ATOM 951 CB LYS A 61 3.691 6.729 15.776 1.00 0.78 C ATOM 952 CG LYS A 61 3.539 6.723 17.307 1.00 1.09 C ATOM 953 CD LYS A 61 2.568 7.844 17.727 1.00 1.37 C ATOM 954 CE LYS A 61 1.100 7.411 17.521 1.00 3.12 C ATOM 955 NZ LYS A 61 0.165 8.545 17.367 1.00 3.59 N ATOM 0 H LYS A 61 3.470 6.168 13.439 1.00 0.70 H new ATOM 0 HA LYS A 61 5.537 5.779 15.302 1.00 0.72 H new ATOM 0 HB2 LYS A 61 4.177 7.661 15.486 1.00 0.78 H new ATOM 0 HB3 LYS A 61 2.694 6.738 15.335 1.00 0.78 H new ATOM 0 HG2 LYS A 61 3.164 5.756 17.643 1.00 1.09 H new ATOM 0 HG3 LYS A 61 4.509 6.870 17.781 1.00 1.09 H new ATOM 0 HD2 LYS A 61 2.732 8.099 18.774 1.00 1.37 H new ATOM 0 HD3 LYS A 61 2.771 8.743 17.145 1.00 1.37 H new ATOM 0 HE2 LYS A 61 1.038 6.777 16.637 1.00 3.12 H new ATOM 0 HE3 LYS A 61 0.786 6.805 18.371 1.00 3.12 H new ATOM 0 HZ1 LYS A 61 -0.760 8.192 17.049 1.00 3.59 H new ATOM 0 HZ2 LYS A 61 0.055 9.031 18.280 1.00 3.59 H new ATOM 0 HZ3 LYS A 61 0.541 9.212 16.663 1.00 3.59 H new ATOM 969 N LYS A 62 2.920 3.823 15.894 1.00 0.72 N ATOM 970 CA LYS A 62 2.537 2.556 16.492 1.00 0.72 C ATOM 971 C LYS A 62 3.323 1.404 15.877 1.00 0.68 C ATOM 972 O LYS A 62 3.651 0.462 16.587 1.00 0.75 O ATOM 973 CB LYS A 62 1.039 2.354 16.290 1.00 0.80 C ATOM 974 CG LYS A 62 0.535 1.130 17.059 1.00 1.38 C ATOM 975 CD LYS A 62 -0.909 0.902 16.628 1.00 2.46 C ATOM 976 CE LYS A 62 -1.623 -0.143 17.505 1.00 3.21 C ATOM 977 NZ LYS A 62 -1.001 -1.486 17.458 1.00 4.35 N ATOM 0 H LYS A 62 2.137 4.366 15.529 1.00 0.72 H new ATOM 0 HA LYS A 62 2.765 2.574 17.558 1.00 0.72 H new ATOM 0 HB2 LYS A 62 0.502 3.242 16.623 1.00 0.80 H new ATOM 0 HB3 LYS A 62 0.826 2.232 15.228 1.00 0.80 H new ATOM 0 HG2 LYS A 62 1.147 0.256 16.838 1.00 1.38 H new ATOM 0 HG3 LYS A 62 0.595 1.297 18.134 1.00 1.38 H new ATOM 0 HD2 LYS A 62 -1.453 1.845 16.675 1.00 2.46 H new ATOM 0 HD3 LYS A 62 -0.928 0.575 15.588 1.00 2.46 H new ATOM 0 HE2 LYS A 62 -1.632 0.207 18.537 1.00 3.21 H new ATOM 0 HE3 LYS A 62 -2.662 -0.223 17.186 1.00 3.21 H new ATOM 0 HZ1 LYS A 62 -1.469 -2.110 18.146 1.00 4.35 H new ATOM 0 HZ2 LYS A 62 -1.106 -1.884 16.503 1.00 4.35 H new ATOM 0 HZ3 LYS A 62 0.009 -1.409 17.692 1.00 4.35 H new ATOM 991 N LEU A 63 3.631 1.490 14.580 1.00 0.65 N ATOM 992 CA LEU A 63 4.408 0.523 13.828 1.00 0.66 C ATOM 993 C LEU A 63 5.601 0.099 14.658 1.00 0.72 C ATOM 994 O LEU A 63 5.825 -1.090 14.768 1.00 0.86 O ATOM 995 CB LEU A 63 4.803 1.062 12.456 1.00 0.67 C ATOM 996 CG LEU A 63 4.899 0.025 11.335 1.00 0.72 C ATOM 997 CD1 LEU A 63 6.014 -0.989 11.576 1.00 1.00 C ATOM 998 CD2 LEU A 63 3.569 -0.658 10.992 1.00 0.98 C ATOM 0 H LEU A 63 3.327 2.276 14.006 1.00 0.65 H new ATOM 0 HA LEU A 63 3.799 -0.359 13.628 1.00 0.66 H new ATOM 0 HB2 LEU A 63 4.078 1.821 12.162 1.00 0.67 H new ATOM 0 HB3 LEU A 63 5.768 1.561 12.547 1.00 0.67 H new ATOM 0 HG LEU A 63 5.164 0.600 10.448 1.00 0.72 H new ATOM 0 HD11 LEU A 63 6.041 -1.703 10.753 1.00 1.00 H new ATOM 0 HD12 LEU A 63 6.971 -0.470 11.638 1.00 1.00 H new ATOM 0 HD13 LEU A 63 5.828 -1.519 12.510 1.00 1.00 H new ATOM 0 HD21 LEU A 63 3.726 -1.378 10.188 1.00 0.98 H new ATOM 0 HD22 LEU A 63 3.188 -1.175 11.873 1.00 0.98 H new ATOM 0 HD23 LEU A 63 2.847 0.093 10.671 1.00 0.98 H new ATOM 1010 N LYS A 64 6.300 1.021 15.330 1.00 0.74 N ATOM 1011 CA LYS A 64 7.418 0.656 16.211 1.00 0.89 C ATOM 1012 C LYS A 64 7.138 -0.547 17.135 1.00 0.98 C ATOM 1013 O LYS A 64 8.020 -1.360 17.390 1.00 1.10 O ATOM 1014 CB LYS A 64 7.834 1.865 17.064 1.00 1.09 C ATOM 1015 CG LYS A 64 8.508 2.952 16.219 1.00 1.40 C ATOM 1016 CD LYS A 64 9.944 2.534 15.857 1.00 1.33 C ATOM 1017 CE LYS A 64 10.266 2.939 14.416 1.00 1.62 C ATOM 1018 NZ LYS A 64 11.559 2.399 13.955 1.00 2.00 N ATOM 0 H LYS A 64 6.113 2.023 15.282 1.00 0.74 H new ATOM 0 HA LYS A 64 8.225 0.350 15.545 1.00 0.89 H new ATOM 0 HB2 LYS A 64 6.956 2.281 17.558 1.00 1.09 H new ATOM 0 HB3 LYS A 64 8.517 1.539 17.849 1.00 1.09 H new ATOM 0 HG2 LYS A 64 7.932 3.124 15.310 1.00 1.40 H new ATOM 0 HG3 LYS A 64 8.524 3.893 16.770 1.00 1.40 H new ATOM 0 HD2 LYS A 64 10.651 3.004 16.541 1.00 1.33 H new ATOM 0 HD3 LYS A 64 10.057 1.456 15.973 1.00 1.33 H new ATOM 0 HE2 LYS A 64 9.473 2.587 13.757 1.00 1.62 H new ATOM 0 HE3 LYS A 64 10.283 4.026 14.342 1.00 1.62 H new ATOM 0 HZ1 LYS A 64 12.139 3.170 13.568 1.00 2.00 H new ATOM 0 HZ2 LYS A 64 12.057 1.959 14.755 1.00 2.00 H new ATOM 0 HZ3 LYS A 64 11.394 1.686 13.216 1.00 2.00 H new ATOM 1032 N ALA A 65 5.925 -0.627 17.671 1.00 0.96 N ATOM 1033 CA ALA A 65 5.434 -1.712 18.517 1.00 1.08 C ATOM 1034 C ALA A 65 5.059 -2.964 17.732 1.00 1.13 C ATOM 1035 O ALA A 65 5.210 -4.080 18.225 1.00 1.32 O ATOM 1036 CB ALA A 65 4.249 -1.209 19.347 1.00 1.09 C ATOM 0 H ALA A 65 5.223 0.097 17.521 1.00 0.96 H new ATOM 0 HA ALA A 65 6.250 -2.010 19.176 1.00 1.08 H new ATOM 0 HB1 ALA A 65 3.879 -2.016 19.980 1.00 1.09 H new ATOM 0 HB2 ALA A 65 4.570 -0.376 19.972 1.00 1.09 H new ATOM 0 HB3 ALA A 65 3.453 -0.877 18.681 1.00 1.09 H new ATOM 1042 N GLU A 66 4.566 -2.774 16.511 1.00 1.01 N ATOM 1043 CA GLU A 66 4.236 -3.841 15.602 1.00 1.02 C ATOM 1044 C GLU A 66 5.556 -4.357 15.008 1.00 0.90 C ATOM 1045 O GLU A 66 5.606 -5.472 14.502 1.00 0.87 O ATOM 1046 CB GLU A 66 3.247 -3.348 14.520 1.00 0.97 C ATOM 1047 CG GLU A 66 2.266 -2.228 14.912 1.00 1.12 C ATOM 1048 CD GLU A 66 1.213 -2.559 15.954 1.00 1.48 C ATOM 1049 OE1 GLU A 66 1.430 -2.278 17.153 1.00 1.76 O ATOM 1050 OE2 GLU A 66 0.065 -2.855 15.550 1.00 2.69 O ATOM 0 H GLU A 66 4.385 -1.846 16.127 1.00 1.01 H new ATOM 0 HA GLU A 66 3.730 -4.658 16.116 1.00 1.02 H new ATOM 0 HB2 GLU A 66 3.828 -3.002 13.665 1.00 0.97 H new ATOM 0 HB3 GLU A 66 2.663 -4.204 14.183 1.00 0.97 H new ATOM 0 HG2 GLU A 66 2.848 -1.382 15.277 1.00 1.12 H new ATOM 0 HG3 GLU A 66 1.754 -1.896 14.009 1.00 1.12 H new ATOM 1057 N ASN A 67 6.633 -3.553 15.064 1.00 0.86 N ATOM 1058 CA ASN A 67 7.871 -3.684 14.324 1.00 0.80 C ATOM 1059 C ASN A 67 8.795 -4.749 14.906 1.00 1.12 C ATOM 1060 O ASN A 67 9.992 -4.533 15.061 1.00 2.23 O ATOM 1061 CB ASN A 67 8.580 -2.325 14.245 1.00 1.17 C ATOM 1062 CG ASN A 67 9.795 -2.296 13.334 1.00 1.57 C ATOM 1063 OD1 ASN A 67 10.751 -1.571 13.605 1.00 2.02 O ATOM 1064 ND2 ASN A 67 9.744 -2.999 12.210 1.00 2.48 N ATOM 0 H ASN A 67 6.647 -2.738 15.678 1.00 0.86 H new ATOM 0 HA ASN A 67 7.616 -4.016 13.318 1.00 0.80 H new ATOM 0 HB2 ASN A 67 7.866 -1.577 13.900 1.00 1.17 H new ATOM 0 HB3 ASN A 67 8.888 -2.032 15.249 1.00 1.17 H new ATOM 0 HD21 ASN A 67 10.512 -2.947 11.541 1.00 2.48 H new ATOM 0 HD22 ASN A 67 8.937 -3.591 12.015 1.00 2.48 H new ATOM 1071 N ILE A 68 8.224 -5.910 15.208 1.00 1.06 N ATOM 1072 CA ILE A 68 8.965 -7.169 15.267 1.00 1.11 C ATOM 1073 C ILE A 68 9.820 -7.271 13.987 1.00 1.06 C ATOM 1074 O ILE A 68 11.028 -7.053 14.047 1.00 1.10 O ATOM 1075 CB ILE A 68 8.010 -8.348 15.531 1.00 1.18 C ATOM 1076 CG1 ILE A 68 7.509 -8.366 16.990 1.00 1.32 C ATOM 1077 CG2 ILE A 68 8.701 -9.697 15.271 1.00 1.21 C ATOM 1078 CD1 ILE A 68 6.585 -7.205 17.376 1.00 1.36 C ATOM 0 H ILE A 68 7.231 -6.007 15.420 1.00 1.06 H new ATOM 0 HA ILE A 68 9.656 -7.204 16.110 1.00 1.11 H new ATOM 0 HB ILE A 68 7.171 -8.209 14.849 1.00 1.18 H new ATOM 0 HG12 ILE A 68 6.981 -9.303 17.165 1.00 1.32 H new ATOM 0 HG13 ILE A 68 8.373 -8.358 17.654 1.00 1.32 H new ATOM 0 HG21 ILE A 68 8.000 -10.509 15.466 1.00 1.21 H new ATOM 0 HG22 ILE A 68 9.029 -9.743 14.233 1.00 1.21 H new ATOM 0 HG23 ILE A 68 9.564 -9.797 15.929 1.00 1.21 H new ATOM 0 HD11 ILE A 68 6.288 -7.308 18.420 1.00 1.36 H new ATOM 0 HD12 ILE A 68 7.112 -6.260 17.240 1.00 1.36 H new ATOM 0 HD13 ILE A 68 5.698 -7.220 16.743 1.00 1.36 H new ATOM 1090 N ASP A 69 9.192 -7.496 12.828 1.00 1.08 N ATOM 1091 CA ASP A 69 9.607 -6.939 11.541 1.00 1.12 C ATOM 1092 C ASP A 69 8.407 -6.809 10.613 1.00 1.07 C ATOM 1093 O ASP A 69 8.440 -7.185 9.441 1.00 1.23 O ATOM 1094 CB ASP A 69 10.737 -7.718 10.891 1.00 1.24 C ATOM 1095 CG ASP A 69 11.256 -7.059 9.604 1.00 1.39 C ATOM 1096 OD1 ASP A 69 11.148 -5.820 9.449 1.00 2.70 O ATOM 1097 OD2 ASP A 69 11.747 -7.797 8.723 1.00 1.60 O ATOM 0 H ASP A 69 8.362 -8.085 12.760 1.00 1.08 H new ATOM 0 HA ASP A 69 10.010 -5.945 11.735 1.00 1.12 H new ATOM 0 HB2 ASP A 69 11.559 -7.815 11.600 1.00 1.24 H new ATOM 0 HB3 ASP A 69 10.392 -8.726 10.663 1.00 1.24 H new ATOM 1102 N VAL A 70 7.343 -6.205 11.134 1.00 1.00 N ATOM 1103 CA VAL A 70 6.354 -5.637 10.241 1.00 0.93 C ATOM 1104 C VAL A 70 6.946 -4.323 9.754 1.00 0.87 C ATOM 1105 O VAL A 70 7.667 -3.629 10.481 1.00 0.84 O ATOM 1106 CB VAL A 70 4.952 -5.489 10.846 1.00 0.99 C ATOM 1107 CG1 VAL A 70 4.545 -6.689 11.701 1.00 1.12 C ATOM 1108 CG2 VAL A 70 4.699 -4.174 11.563 1.00 1.08 C ATOM 0 H VAL A 70 7.152 -6.101 12.130 1.00 1.00 H new ATOM 0 HA VAL A 70 6.164 -6.319 9.412 1.00 0.93 H new ATOM 0 HB VAL A 70 4.295 -5.467 9.976 1.00 0.99 H new ATOM 0 HG11 VAL A 70 3.544 -6.527 12.102 1.00 1.12 H new ATOM 0 HG12 VAL A 70 4.549 -7.590 11.088 1.00 1.12 H new ATOM 0 HG13 VAL A 70 5.251 -6.806 12.523 1.00 1.12 H new ATOM 0 HG21 VAL A 70 3.682 -4.164 11.956 1.00 1.08 H new ATOM 0 HG22 VAL A 70 5.407 -4.066 12.385 1.00 1.08 H new ATOM 0 HG23 VAL A 70 4.826 -3.348 10.863 1.00 1.08 H new ATOM 1118 N ARG A 71 6.686 -4.018 8.492 1.00 0.85 N ATOM 1119 CA ARG A 71 7.410 -3.022 7.745 1.00 0.42 C ATOM 1120 C ARG A 71 6.409 -2.549 6.712 1.00 0.52 C ATOM 1121 O ARG A 71 5.920 -3.343 5.915 1.00 1.01 O ATOM 1122 CB ARG A 71 8.680 -3.694 7.218 1.00 0.83 C ATOM 1123 CG ARG A 71 9.687 -2.743 6.563 1.00 0.89 C ATOM 1124 CD ARG A 71 11.136 -3.148 6.898 1.00 0.76 C ATOM 1125 NE ARG A 71 11.321 -4.609 7.017 1.00 0.88 N ATOM 1126 CZ ARG A 71 11.335 -5.487 6.005 1.00 0.87 C ATOM 1127 NH1 ARG A 71 11.298 -5.053 4.736 1.00 0.82 N ATOM 1128 NH2 ARG A 71 11.377 -6.798 6.276 1.00 1.04 N ATOM 0 H ARG A 71 5.947 -4.471 7.954 1.00 0.85 H new ATOM 0 HA ARG A 71 7.767 -2.147 8.288 1.00 0.42 H new ATOM 0 HB2 ARG A 71 9.172 -4.208 8.044 1.00 0.83 H new ATOM 0 HB3 ARG A 71 8.396 -4.456 6.492 1.00 0.83 H new ATOM 0 HG2 ARG A 71 9.546 -2.748 5.482 1.00 0.89 H new ATOM 0 HG3 ARG A 71 9.503 -1.724 6.904 1.00 0.89 H new ATOM 0 HD2 ARG A 71 11.801 -2.766 6.123 1.00 0.76 H new ATOM 0 HD3 ARG A 71 11.431 -2.674 7.834 1.00 0.76 H new ATOM 0 HE ARG A 71 11.450 -4.984 7.957 1.00 0.88 H new ATOM 0 HH11 ARG A 71 11.259 -4.053 4.540 1.00 0.82 H new ATOM 0 HH12 ARG A 71 11.309 -5.723 3.967 1.00 0.82 H new ATOM 0 HH21 ARG A 71 11.398 -7.118 7.244 1.00 1.04 H new ATOM 0 HH22 ARG A 71 11.388 -7.476 5.514 1.00 1.04 H new ATOM 1142 N ILE A 72 5.996 -1.291 6.836 1.00 0.33 N ATOM 1143 CA ILE A 72 4.852 -0.769 6.113 1.00 0.33 C ATOM 1144 C ILE A 72 5.361 -0.544 4.680 1.00 0.32 C ATOM 1145 O ILE A 72 6.239 0.294 4.463 1.00 0.35 O ATOM 1146 CB ILE A 72 4.320 0.489 6.865 1.00 0.35 C ATOM 1147 CG1 ILE A 72 3.016 1.130 6.360 1.00 0.49 C ATOM 1148 CG2 ILE A 72 5.334 1.628 7.001 1.00 0.55 C ATOM 1149 CD1 ILE A 72 2.884 1.144 4.846 1.00 2.01 C ATOM 0 H ILE A 72 6.449 -0.608 7.443 1.00 0.33 H new ATOM 0 HA ILE A 72 3.986 -1.429 6.059 1.00 0.33 H new ATOM 0 HB ILE A 72 4.113 0.018 7.826 1.00 0.35 H new ATOM 0 HG12 ILE A 72 2.169 0.590 6.784 1.00 0.49 H new ATOM 0 HG13 ILE A 72 2.959 2.154 6.730 1.00 0.49 H new ATOM 0 HG21 ILE A 72 4.877 2.460 7.537 1.00 0.55 H new ATOM 0 HG22 ILE A 72 6.205 1.276 7.553 1.00 0.55 H new ATOM 0 HG23 ILE A 72 5.643 1.960 6.010 1.00 0.55 H new ATOM 0 HD11 ILE A 72 1.939 1.611 4.567 1.00 2.01 H new ATOM 0 HD12 ILE A 72 3.710 1.709 4.414 1.00 2.01 H new ATOM 0 HD13 ILE A 72 2.908 0.121 4.469 1.00 2.01 H new ATOM 1161 N ILE A 73 4.901 -1.336 3.704 1.00 0.33 N ATOM 1162 CA ILE A 73 5.290 -1.133 2.318 1.00 0.36 C ATOM 1163 C ILE A 73 4.381 -0.085 1.696 1.00 0.45 C ATOM 1164 O ILE A 73 3.214 0.049 2.057 1.00 0.59 O ATOM 1165 CB ILE A 73 5.244 -2.479 1.575 1.00 0.39 C ATOM 1166 CG1 ILE A 73 6.592 -3.213 1.635 1.00 0.36 C ATOM 1167 CG2 ILE A 73 4.859 -2.379 0.090 1.00 0.49 C ATOM 1168 CD1 ILE A 73 7.045 -3.562 3.052 1.00 0.37 C ATOM 0 H ILE A 73 4.263 -2.117 3.855 1.00 0.33 H new ATOM 0 HA ILE A 73 6.312 -0.761 2.248 1.00 0.36 H new ATOM 0 HB ILE A 73 4.464 -3.028 2.102 1.00 0.39 H new ATOM 0 HG12 ILE A 73 6.521 -4.130 1.051 1.00 0.36 H new ATOM 0 HG13 ILE A 73 7.354 -2.592 1.163 1.00 0.36 H new ATOM 0 HG21 ILE A 73 4.852 -3.375 -0.352 1.00 0.49 H new ATOM 0 HG22 ILE A 73 3.867 -1.935 0.000 1.00 0.49 H new ATOM 0 HG23 ILE A 73 5.584 -1.755 -0.433 1.00 0.49 H new ATOM 0 HD11 ILE A 73 8.004 -4.078 3.011 1.00 0.37 H new ATOM 0 HD12 ILE A 73 7.150 -2.648 3.636 1.00 0.37 H new ATOM 0 HD13 ILE A 73 6.305 -4.210 3.522 1.00 0.37 H new ATOM 1180 N SER A 74 4.901 0.628 0.705 1.00 0.49 N ATOM 1181 CA SER A 74 4.088 1.526 -0.088 1.00 0.56 C ATOM 1182 C SER A 74 4.613 1.498 -1.516 1.00 0.64 C ATOM 1183 O SER A 74 5.563 2.209 -1.834 1.00 0.67 O ATOM 1184 CB SER A 74 4.198 2.929 0.512 1.00 0.58 C ATOM 1185 OG SER A 74 3.425 3.036 1.690 1.00 1.17 O ATOM 0 H SER A 74 5.884 0.598 0.435 1.00 0.49 H new ATOM 0 HA SER A 74 3.040 1.228 -0.090 1.00 0.56 H new ATOM 0 HB2 SER A 74 5.241 3.153 0.735 1.00 0.58 H new ATOM 0 HB3 SER A 74 3.863 3.668 -0.216 1.00 0.58 H new ATOM 0 HG SER A 74 2.475 2.944 1.467 1.00 1.17 H new ATOM 1191 N PHE A 75 4.034 0.667 -2.383 1.00 0.84 N ATOM 1192 CA PHE A 75 4.475 0.631 -3.768 1.00 0.96 C ATOM 1193 C PHE A 75 3.897 1.825 -4.524 1.00 0.85 C ATOM 1194 O PHE A 75 2.806 2.301 -4.200 1.00 0.82 O ATOM 1195 CB PHE A 75 4.145 -0.714 -4.430 1.00 1.24 C ATOM 1196 CG PHE A 75 2.706 -1.172 -4.333 1.00 0.91 C ATOM 1197 CD1 PHE A 75 2.296 -1.971 -3.249 1.00 2.00 C ATOM 1198 CD2 PHE A 75 1.817 -0.924 -5.396 1.00 1.70 C ATOM 1199 CE1 PHE A 75 1.006 -2.525 -3.230 1.00 2.17 C ATOM 1200 CE2 PHE A 75 0.544 -1.514 -5.397 1.00 1.61 C ATOM 1201 CZ PHE A 75 0.146 -2.329 -4.325 1.00 1.12 C ATOM 0 H PHE A 75 3.275 0.025 -2.154 1.00 0.84 H new ATOM 0 HA PHE A 75 5.561 0.715 -3.800 1.00 0.96 H new ATOM 0 HB2 PHE A 75 4.414 -0.652 -5.484 1.00 1.24 H new ATOM 0 HB3 PHE A 75 4.779 -1.480 -3.984 1.00 1.24 H new ATOM 0 HD1 PHE A 75 2.975 -2.158 -2.430 1.00 2.00 H new ATOM 0 HD2 PHE A 75 2.115 -0.280 -6.210 1.00 1.70 H new ATOM 0 HE1 PHE A 75 0.675 -3.100 -2.377 1.00 2.17 H new ATOM 0 HE2 PHE A 75 -0.130 -1.341 -6.223 1.00 1.61 H new ATOM 0 HZ PHE A 75 -0.823 -2.806 -4.342 1.00 1.12 H new ATOM 1211 N SER A 76 4.639 2.316 -5.521 1.00 0.82 N ATOM 1212 CA SER A 76 4.194 3.458 -6.297 1.00 0.72 C ATOM 1213 C SER A 76 3.087 3.008 -7.244 1.00 0.76 C ATOM 1214 O SER A 76 2.851 1.819 -7.455 1.00 0.73 O ATOM 1215 CB SER A 76 5.355 4.096 -7.075 1.00 0.75 C ATOM 1216 OG SER A 76 4.892 5.263 -7.742 1.00 1.47 O ATOM 0 H SER A 76 5.544 1.938 -5.802 1.00 0.82 H new ATOM 0 HA SER A 76 3.809 4.221 -5.620 1.00 0.72 H new ATOM 0 HB2 SER A 76 6.167 4.351 -6.394 1.00 0.75 H new ATOM 0 HB3 SER A 76 5.757 3.386 -7.798 1.00 0.75 H new ATOM 0 HG SER A 76 5.652 5.733 -8.145 1.00 1.47 H new ATOM 1222 N VAL A 77 2.387 3.997 -7.782 1.00 1.26 N ATOM 1223 CA VAL A 77 1.213 3.836 -8.603 1.00 1.18 C ATOM 1224 C VAL A 77 1.450 4.722 -9.814 1.00 1.08 C ATOM 1225 O VAL A 77 1.663 5.922 -9.665 1.00 1.21 O ATOM 1226 CB VAL A 77 -0.026 4.260 -7.802 1.00 1.16 C ATOM 1227 CG1 VAL A 77 -1.291 4.033 -8.641 1.00 1.19 C ATOM 1228 CG2 VAL A 77 -0.166 3.459 -6.504 1.00 1.27 C ATOM 0 H VAL A 77 2.641 4.976 -7.647 1.00 1.26 H new ATOM 0 HA VAL A 77 1.040 2.806 -8.915 1.00 1.18 H new ATOM 0 HB VAL A 77 0.095 5.315 -7.556 1.00 1.16 H new ATOM 0 HG11 VAL A 77 -2.167 4.336 -8.067 1.00 1.19 H new ATOM 0 HG12 VAL A 77 -1.233 4.625 -9.554 1.00 1.19 H new ATOM 0 HG13 VAL A 77 -1.373 2.977 -8.898 1.00 1.19 H new ATOM 0 HG21 VAL A 77 -1.055 3.789 -5.967 1.00 1.27 H new ATOM 0 HG22 VAL A 77 -0.257 2.399 -6.739 1.00 1.27 H new ATOM 0 HG23 VAL A 77 0.714 3.618 -5.881 1.00 1.27 H new ATOM 1238 N ASP A 78 1.475 4.113 -10.997 1.00 1.12 N ATOM 1239 CA ASP A 78 1.786 4.774 -12.253 1.00 1.11 C ATOM 1240 C ASP A 78 3.172 5.449 -12.246 1.00 1.17 C ATOM 1241 O ASP A 78 3.316 6.581 -12.714 1.00 1.50 O ATOM 1242 CB ASP A 78 0.619 5.707 -12.628 1.00 0.99 C ATOM 1243 CG ASP A 78 0.148 5.431 -14.039 1.00 1.48 C ATOM 1244 OD1 ASP A 78 -0.482 4.370 -14.238 1.00 2.67 O ATOM 1245 OD2 ASP A 78 0.455 6.212 -14.968 1.00 2.03 O ATOM 0 H ASP A 78 1.273 3.119 -11.107 1.00 1.12 H new ATOM 0 HA ASP A 78 1.878 4.030 -13.044 1.00 1.11 H new ATOM 0 HB2 ASP A 78 -0.206 5.565 -11.929 1.00 0.99 H new ATOM 0 HB3 ASP A 78 0.935 6.747 -12.541 1.00 0.99 H new ATOM 1250 N PRO A 79 4.240 4.756 -11.798 1.00 0.95 N ATOM 1251 CA PRO A 79 5.584 5.321 -11.742 1.00 0.93 C ATOM 1252 C PRO A 79 6.171 5.624 -13.123 1.00 0.95 C ATOM 1253 O PRO A 79 7.179 6.323 -13.241 1.00 1.05 O ATOM 1254 CB PRO A 79 6.439 4.326 -10.961 1.00 0.87 C ATOM 1255 CG PRO A 79 5.765 3.009 -11.321 1.00 0.84 C ATOM 1256 CD PRO A 79 4.283 3.376 -11.349 1.00 0.83 C ATOM 0 HA PRO A 79 5.558 6.292 -11.247 1.00 0.93 H new ATOM 0 HB2 PRO A 79 7.484 4.351 -11.269 1.00 0.87 H new ATOM 0 HB3 PRO A 79 6.418 4.519 -9.888 1.00 0.87 H new ATOM 0 HG2 PRO A 79 6.105 2.632 -12.285 1.00 0.84 H new ATOM 0 HG3 PRO A 79 5.975 2.234 -10.584 1.00 0.84 H new ATOM 0 HD2 PRO A 79 3.729 2.725 -12.025 1.00 0.83 H new ATOM 0 HD3 PRO A 79 3.832 3.269 -10.362 1.00 0.83 H new ATOM 1264 N GLU A 80 5.510 5.138 -14.178 1.00 0.93 N ATOM 1265 CA GLU A 80 5.608 5.671 -15.525 1.00 0.96 C ATOM 1266 C GLU A 80 5.747 7.197 -15.463 1.00 0.90 C ATOM 1267 O GLU A 80 6.709 7.747 -16.001 1.00 1.09 O ATOM 1268 CB GLU A 80 4.375 5.195 -16.314 1.00 1.01 C ATOM 1269 CG GLU A 80 4.484 3.673 -16.522 1.00 1.56 C ATOM 1270 CD GLU A 80 3.204 2.980 -16.968 1.00 2.14 C ATOM 1271 OE1 GLU A 80 2.200 3.670 -17.263 1.00 2.62 O ATOM 1272 OE2 GLU A 80 3.255 1.732 -16.947 1.00 3.05 O ATOM 0 H GLU A 80 4.877 4.341 -14.108 1.00 0.93 H new ATOM 0 HA GLU A 80 6.495 5.308 -16.044 1.00 0.96 H new ATOM 0 HB2 GLU A 80 3.461 5.438 -15.772 1.00 1.01 H new ATOM 0 HB3 GLU A 80 4.321 5.706 -17.276 1.00 1.01 H new ATOM 0 HG2 GLU A 80 5.259 3.480 -17.264 1.00 1.56 H new ATOM 0 HG3 GLU A 80 4.816 3.219 -15.588 1.00 1.56 H new ATOM 1279 N ASN A 81 4.860 7.859 -14.714 1.00 0.84 N ATOM 1280 CA ASN A 81 4.966 9.270 -14.344 1.00 1.03 C ATOM 1281 C ASN A 81 5.503 9.418 -12.915 1.00 1.08 C ATOM 1282 O ASN A 81 6.496 10.119 -12.709 1.00 1.71 O ATOM 1283 CB ASN A 81 3.647 10.038 -14.573 1.00 1.37 C ATOM 1284 CG ASN A 81 2.374 9.232 -14.319 1.00 1.79 C ATOM 1285 OD1 ASN A 81 1.651 9.466 -13.360 1.00 3.13 O ATOM 1286 ND2 ASN A 81 2.079 8.296 -15.216 1.00 2.07 N ATOM 0 H ASN A 81 4.024 7.412 -14.338 1.00 0.84 H new ATOM 0 HA ASN A 81 5.691 9.736 -15.011 1.00 1.03 H new ATOM 0 HB2 ASN A 81 3.638 10.915 -13.926 1.00 1.37 H new ATOM 0 HB3 ASN A 81 3.630 10.401 -15.601 1.00 1.37 H new ATOM 0 HD21 ASN A 81 1.226 7.746 -15.117 1.00 2.07 H new ATOM 0 HD22 ASN A 81 2.706 8.128 -16.003 1.00 2.07 H new ATOM 1293 N ASP A 82 4.895 8.753 -11.929 1.00 0.92 N ATOM 1294 CA ASP A 82 5.168 8.978 -10.507 1.00 1.07 C ATOM 1295 C ASP A 82 6.428 8.245 -10.036 1.00 1.31 C ATOM 1296 O ASP A 82 6.393 7.327 -9.209 1.00 2.79 O ATOM 1297 CB ASP A 82 3.939 8.589 -9.685 1.00 1.12 C ATOM 1298 CG ASP A 82 2.837 9.636 -9.761 1.00 1.79 C ATOM 1299 OD1 ASP A 82 2.788 10.370 -10.773 1.00 2.86 O ATOM 1300 OD2 ASP A 82 2.086 9.734 -8.767 1.00 2.44 O ATOM 0 H ASP A 82 4.191 8.035 -12.098 1.00 0.92 H new ATOM 0 HA ASP A 82 5.369 10.039 -10.357 1.00 1.07 H new ATOM 0 HB2 ASP A 82 3.554 7.633 -10.041 1.00 1.12 H new ATOM 0 HB3 ASP A 82 4.231 8.447 -8.644 1.00 1.12 H new ATOM 1305 N LYS A 83 7.563 8.645 -10.602 1.00 0.70 N ATOM 1306 CA LYS A 83 8.857 8.051 -10.312 1.00 0.67 C ATOM 1307 C LYS A 83 9.194 8.234 -8.823 1.00 0.60 C ATOM 1308 O LYS A 83 8.782 9.228 -8.225 1.00 0.63 O ATOM 1309 CB LYS A 83 9.898 8.646 -11.261 1.00 0.83 C ATOM 1310 CG LYS A 83 9.528 8.318 -12.716 1.00 1.42 C ATOM 1311 CD LYS A 83 10.554 8.856 -13.720 1.00 1.61 C ATOM 1312 CE LYS A 83 9.977 8.916 -15.144 1.00 2.04 C ATOM 1313 NZ LYS A 83 9.251 7.688 -15.534 1.00 2.91 N ATOM 0 H LYS A 83 7.606 9.402 -11.284 1.00 0.70 H new ATOM 0 HA LYS A 83 8.846 6.975 -10.486 1.00 0.67 H new ATOM 0 HB2 LYS A 83 9.951 9.726 -11.125 1.00 0.83 H new ATOM 0 HB3 LYS A 83 10.885 8.246 -11.029 1.00 0.83 H new ATOM 0 HG2 LYS A 83 9.444 7.237 -12.831 1.00 1.42 H new ATOM 0 HG3 LYS A 83 8.548 8.739 -12.942 1.00 1.42 H new ATOM 0 HD2 LYS A 83 10.874 9.852 -13.415 1.00 1.61 H new ATOM 0 HD3 LYS A 83 11.439 8.220 -13.712 1.00 1.61 H new ATOM 0 HE2 LYS A 83 9.302 9.768 -15.219 1.00 2.04 H new ATOM 0 HE3 LYS A 83 10.789 9.089 -15.850 1.00 2.04 H new ATOM 0 HZ1 LYS A 83 9.427 7.485 -16.539 1.00 2.91 H new ATOM 0 HZ2 LYS A 83 9.583 6.890 -14.956 1.00 2.91 H new ATOM 0 HZ3 LYS A 83 8.231 7.825 -15.382 1.00 2.91 H new ATOM 1327 N PRO A 84 9.950 7.307 -8.206 1.00 0.57 N ATOM 1328 CA PRO A 84 10.197 7.285 -6.765 1.00 0.53 C ATOM 1329 C PRO A 84 10.724 8.608 -6.203 1.00 0.50 C ATOM 1330 O PRO A 84 10.498 8.917 -5.035 1.00 0.49 O ATOM 1331 CB PRO A 84 11.165 6.122 -6.515 1.00 0.57 C ATOM 1332 CG PRO A 84 11.773 5.846 -7.889 1.00 0.61 C ATOM 1333 CD PRO A 84 10.622 6.183 -8.834 1.00 0.62 C ATOM 0 HA PRO A 84 9.256 7.144 -6.234 1.00 0.53 H new ATOM 0 HB2 PRO A 84 11.930 6.389 -5.786 1.00 0.57 H new ATOM 0 HB3 PRO A 84 10.645 5.247 -6.125 1.00 0.57 H new ATOM 0 HG2 PRO A 84 12.648 6.468 -8.078 1.00 0.61 H new ATOM 0 HG3 PRO A 84 12.091 4.808 -7.991 1.00 0.61 H new ATOM 0 HD2 PRO A 84 10.988 6.444 -9.827 1.00 0.62 H new ATOM 0 HD3 PRO A 84 9.948 5.335 -8.956 1.00 0.62 H new ATOM 1341 N LYS A 85 11.405 9.411 -7.023 1.00 0.54 N ATOM 1342 CA LYS A 85 11.832 10.745 -6.630 1.00 0.56 C ATOM 1343 C LYS A 85 10.653 11.599 -6.155 1.00 0.52 C ATOM 1344 O LYS A 85 10.761 12.292 -5.144 1.00 0.51 O ATOM 1345 CB LYS A 85 12.592 11.426 -7.771 1.00 0.70 C ATOM 1346 CG LYS A 85 14.058 11.697 -7.407 1.00 1.04 C ATOM 1347 CD LYS A 85 14.898 10.408 -7.370 1.00 1.68 C ATOM 1348 CE LYS A 85 16.362 10.733 -7.025 1.00 2.34 C ATOM 1349 NZ LYS A 85 17.218 9.526 -6.993 1.00 3.31 N ATOM 0 H LYS A 85 11.672 9.152 -7.973 1.00 0.54 H new ATOM 0 HA LYS A 85 12.512 10.642 -5.784 1.00 0.56 H new ATOM 0 HB2 LYS A 85 12.550 10.797 -8.660 1.00 0.70 H new ATOM 0 HB3 LYS A 85 12.101 12.366 -8.022 1.00 0.70 H new ATOM 0 HG2 LYS A 85 14.488 12.388 -8.132 1.00 1.04 H new ATOM 0 HG3 LYS A 85 14.104 12.186 -6.434 1.00 1.04 H new ATOM 0 HD2 LYS A 85 14.488 9.720 -6.631 1.00 1.68 H new ATOM 0 HD3 LYS A 85 14.848 9.906 -8.336 1.00 1.68 H new ATOM 0 HE2 LYS A 85 16.757 11.436 -7.759 1.00 2.34 H new ATOM 0 HE3 LYS A 85 16.402 11.229 -6.055 1.00 2.34 H new ATOM 0 HZ1 LYS A 85 18.193 9.798 -6.756 1.00 3.31 H new ATOM 0 HZ2 LYS A 85 16.859 8.865 -6.275 1.00 3.31 H new ATOM 0 HZ3 LYS A 85 17.204 9.065 -7.925 1.00 3.31 H new ATOM 1363 N GLN A 86 9.531 11.560 -6.883 1.00 0.54 N ATOM 1364 CA GLN A 86 8.350 12.315 -6.505 1.00 0.56 C ATOM 1365 C GLN A 86 7.806 11.785 -5.188 1.00 0.50 C ATOM 1366 O GLN A 86 7.463 12.573 -4.310 1.00 0.54 O ATOM 1367 CB GLN A 86 7.283 12.295 -7.604 1.00 0.66 C ATOM 1368 CG GLN A 86 7.429 13.470 -8.580 1.00 1.12 C ATOM 1369 CD GLN A 86 7.266 14.814 -7.874 1.00 1.55 C ATOM 1370 OE1 GLN A 86 8.173 15.644 -7.894 1.00 2.54 O ATOM 1371 NE2 GLN A 86 6.141 15.024 -7.198 1.00 1.95 N ATOM 0 H GLN A 86 9.425 11.011 -7.736 1.00 0.54 H new ATOM 0 HA GLN A 86 8.635 13.359 -6.373 1.00 0.56 H new ATOM 0 HB2 GLN A 86 7.350 11.357 -8.155 1.00 0.66 H new ATOM 0 HB3 GLN A 86 6.294 12.326 -7.147 1.00 0.66 H new ATOM 0 HG2 GLN A 86 8.408 13.426 -9.058 1.00 1.12 H new ATOM 0 HG3 GLN A 86 6.684 13.381 -9.370 1.00 1.12 H new ATOM 0 HE21 GLN A 86 5.406 14.317 -7.200 1.00 1.95 H new ATOM 0 HE22 GLN A 86 6.013 15.892 -6.678 1.00 1.95 H new ATOM 1380 N LEU A 87 7.784 10.457 -5.030 1.00 0.47 N ATOM 1381 CA LEU A 87 7.340 9.861 -3.781 1.00 0.44 C ATOM 1382 C LEU A 87 8.209 10.402 -2.646 1.00 0.43 C ATOM 1383 O LEU A 87 7.689 10.872 -1.637 1.00 0.48 O ATOM 1384 CB LEU A 87 7.315 8.320 -3.824 1.00 0.47 C ATOM 1385 CG LEU A 87 6.104 7.753 -4.592 1.00 0.56 C ATOM 1386 CD1 LEU A 87 6.356 7.602 -6.097 1.00 1.16 C ATOM 1387 CD2 LEU A 87 5.692 6.379 -4.053 1.00 1.00 C ATOM 0 H LEU A 87 8.066 9.788 -5.746 1.00 0.47 H new ATOM 0 HA LEU A 87 6.303 10.146 -3.606 1.00 0.44 H new ATOM 0 HB2 LEU A 87 8.233 7.961 -4.290 1.00 0.47 H new ATOM 0 HB3 LEU A 87 7.303 7.935 -2.804 1.00 0.47 H new ATOM 0 HG LEU A 87 5.310 8.484 -4.439 1.00 0.56 H new ATOM 0 HD11 LEU A 87 5.464 7.198 -6.577 1.00 1.16 H new ATOM 0 HD12 LEU A 87 6.589 8.576 -6.526 1.00 1.16 H new ATOM 0 HD13 LEU A 87 7.194 6.924 -6.259 1.00 1.16 H new ATOM 0 HD21 LEU A 87 4.836 6.009 -4.617 1.00 1.00 H new ATOM 0 HD22 LEU A 87 6.524 5.683 -4.158 1.00 1.00 H new ATOM 0 HD23 LEU A 87 5.423 6.467 -3.000 1.00 1.00 H new ATOM 1399 N LYS A 88 9.534 10.394 -2.821 1.00 0.43 N ATOM 1400 CA LYS A 88 10.436 10.875 -1.786 1.00 0.49 C ATOM 1401 C LYS A 88 10.231 12.367 -1.489 1.00 0.53 C ATOM 1402 O LYS A 88 10.184 12.748 -0.323 1.00 0.59 O ATOM 1403 CB LYS A 88 11.898 10.520 -2.099 1.00 0.57 C ATOM 1404 CG LYS A 88 12.576 10.073 -0.796 1.00 0.73 C ATOM 1405 CD LYS A 88 14.033 9.644 -1.004 1.00 0.93 C ATOM 1406 CE LYS A 88 14.465 8.647 0.083 1.00 1.17 C ATOM 1407 NZ LYS A 88 14.441 9.201 1.450 1.00 2.08 N ATOM 0 H LYS A 88 9.998 10.061 -3.666 1.00 0.43 H new ATOM 0 HA LYS A 88 10.183 10.351 -0.864 1.00 0.49 H new ATOM 0 HB2 LYS A 88 11.945 9.725 -2.843 1.00 0.57 H new ATOM 0 HB3 LYS A 88 12.416 11.382 -2.520 1.00 0.57 H new ATOM 0 HG2 LYS A 88 12.541 10.889 -0.075 1.00 0.73 H new ATOM 0 HG3 LYS A 88 12.015 9.243 -0.366 1.00 0.73 H new ATOM 0 HD2 LYS A 88 14.147 9.189 -1.988 1.00 0.93 H new ATOM 0 HD3 LYS A 88 14.682 10.519 -0.981 1.00 0.93 H new ATOM 0 HE2 LYS A 88 13.811 7.776 0.044 1.00 1.17 H new ATOM 0 HE3 LYS A 88 15.474 8.298 -0.139 1.00 1.17 H new ATOM 0 HZ1 LYS A 88 15.157 8.720 2.032 1.00 2.08 H new ATOM 0 HZ2 LYS A 88 14.650 10.219 1.416 1.00 2.08 H new ATOM 0 HZ3 LYS A 88 13.500 9.054 1.868 1.00 2.08 H new ATOM 1421 N LYS A 89 10.094 13.212 -2.519 1.00 0.53 N ATOM 1422 CA LYS A 89 9.788 14.626 -2.308 1.00 0.60 C ATOM 1423 C LYS A 89 8.490 14.787 -1.513 1.00 0.60 C ATOM 1424 O LYS A 89 8.457 15.439 -0.477 1.00 0.66 O ATOM 1425 CB LYS A 89 9.671 15.372 -3.645 1.00 0.68 C ATOM 1426 CG LYS A 89 11.029 15.645 -4.301 1.00 1.30 C ATOM 1427 CD LYS A 89 10.810 16.576 -5.501 1.00 1.50 C ATOM 1428 CE LYS A 89 12.138 17.006 -6.137 1.00 2.46 C ATOM 1429 NZ LYS A 89 11.926 17.986 -7.223 1.00 2.91 N ATOM 0 H LYS A 89 10.190 12.941 -3.498 1.00 0.53 H new ATOM 0 HA LYS A 89 10.610 15.059 -1.738 1.00 0.60 H new ATOM 0 HB2 LYS A 89 9.055 14.787 -4.328 1.00 0.68 H new ATOM 0 HB3 LYS A 89 9.156 16.319 -3.482 1.00 0.68 H new ATOM 0 HG2 LYS A 89 11.711 16.104 -3.585 1.00 1.30 H new ATOM 0 HG3 LYS A 89 11.488 14.711 -4.625 1.00 1.30 H new ATOM 0 HD2 LYS A 89 10.197 16.070 -6.247 1.00 1.50 H new ATOM 0 HD3 LYS A 89 10.258 17.459 -5.180 1.00 1.50 H new ATOM 0 HE2 LYS A 89 12.784 17.441 -5.374 1.00 2.46 H new ATOM 0 HE3 LYS A 89 12.654 16.131 -6.531 1.00 2.46 H new ATOM 0 HZ1 LYS A 89 12.844 18.256 -7.631 1.00 2.91 H new ATOM 0 HZ2 LYS A 89 11.330 17.562 -7.962 1.00 2.91 H new ATOM 0 HZ3 LYS A 89 11.455 18.831 -6.841 1.00 2.91 H new ATOM 1443 N PHE A 90 7.410 14.177 -1.991 1.00 0.60 N ATOM 1444 CA PHE A 90 6.098 14.226 -1.361 1.00 0.65 C ATOM 1445 C PHE A 90 6.182 13.751 0.091 1.00 0.65 C ATOM 1446 O PHE A 90 5.584 14.325 1.001 1.00 0.69 O ATOM 1447 CB PHE A 90 5.182 13.347 -2.207 1.00 0.69 C ATOM 1448 CG PHE A 90 3.773 13.136 -1.699 1.00 0.78 C ATOM 1449 CD1 PHE A 90 3.514 12.038 -0.855 1.00 1.66 C ATOM 1450 CD2 PHE A 90 2.702 13.801 -2.326 1.00 2.44 C ATOM 1451 CE1 PHE A 90 2.194 11.614 -0.637 1.00 1.69 C ATOM 1452 CE2 PHE A 90 1.383 13.363 -2.120 1.00 2.59 C ATOM 1453 CZ PHE A 90 1.130 12.275 -1.268 1.00 1.21 C ATOM 0 H PHE A 90 7.425 13.622 -2.847 1.00 0.60 H new ATOM 0 HA PHE A 90 5.706 15.242 -1.319 1.00 0.65 H new ATOM 0 HB2 PHE A 90 5.121 13.782 -3.204 1.00 0.69 H new ATOM 0 HB3 PHE A 90 5.654 12.370 -2.314 1.00 0.69 H new ATOM 0 HD1 PHE A 90 4.332 11.522 -0.375 1.00 1.66 H new ATOM 0 HD2 PHE A 90 2.895 14.649 -2.966 1.00 2.44 H new ATOM 0 HE1 PHE A 90 1.997 10.778 0.017 1.00 1.69 H new ATOM 0 HE2 PHE A 90 0.564 13.862 -2.616 1.00 2.59 H new ATOM 0 HZ PHE A 90 0.115 11.947 -1.099 1.00 1.21 H new ATOM 1463 N ALA A 91 6.974 12.707 0.313 1.00 0.65 N ATOM 1464 CA ALA A 91 7.202 12.128 1.621 1.00 0.73 C ATOM 1465 C ALA A 91 8.045 13.032 2.518 1.00 0.76 C ATOM 1466 O ALA A 91 8.108 12.812 3.720 1.00 0.98 O ATOM 1467 CB ALA A 91 7.892 10.789 1.436 1.00 0.73 C ATOM 0 H ALA A 91 7.484 12.233 -0.432 1.00 0.65 H new ATOM 0 HA ALA A 91 6.239 12.004 2.117 1.00 0.73 H new ATOM 0 HB1 ALA A 91 8.073 10.335 2.410 1.00 0.73 H new ATOM 0 HB2 ALA A 91 7.257 10.132 0.842 1.00 0.73 H new ATOM 0 HB3 ALA A 91 8.842 10.937 0.922 1.00 0.73 H new ATOM 1473 N ALA A 92 8.720 14.031 1.952 1.00 0.77 N ATOM 1474 CA ALA A 92 9.304 15.103 2.736 1.00 0.85 C ATOM 1475 C ALA A 92 8.212 16.033 3.276 1.00 0.79 C ATOM 1476 O ALA A 92 8.434 16.725 4.267 1.00 0.92 O ATOM 1477 CB ALA A 92 10.317 15.860 1.878 1.00 0.98 C ATOM 0 H ALA A 92 8.873 14.115 0.947 1.00 0.77 H new ATOM 0 HA ALA A 92 9.824 14.685 3.598 1.00 0.85 H new ATOM 0 HB1 ALA A 92 10.759 16.667 2.463 1.00 0.98 H new ATOM 0 HB2 ALA A 92 11.101 15.176 1.553 1.00 0.98 H new ATOM 0 HB3 ALA A 92 9.815 16.278 1.005 1.00 0.98 H new ATOM 1483 N ASN A 93 7.048 16.077 2.612 1.00 0.68 N ATOM 1484 CA ASN A 93 5.970 17.001 2.966 1.00 0.70 C ATOM 1485 C ASN A 93 5.111 16.374 4.055 1.00 0.68 C ATOM 1486 O ASN A 93 4.932 16.948 5.127 1.00 0.70 O ATOM 1487 CB ASN A 93 5.098 17.374 1.756 1.00 0.74 C ATOM 1488 CG ASN A 93 5.886 17.967 0.592 1.00 0.79 C ATOM 1489 OD1 ASN A 93 6.937 18.572 0.770 1.00 1.42 O ATOM 1490 ND2 ASN A 93 5.372 17.810 -0.625 1.00 1.90 N ATOM 0 H ASN A 93 6.831 15.474 1.818 1.00 0.68 H new ATOM 0 HA ASN A 93 6.425 17.923 3.327 1.00 0.70 H new ATOM 0 HB2 ASN A 93 4.571 16.484 1.411 1.00 0.74 H new ATOM 0 HB3 ASN A 93 4.340 18.090 2.073 1.00 0.74 H new ATOM 0 HD21 ASN A 93 5.854 18.197 -1.436 1.00 1.90 H new ATOM 0 HD22 ASN A 93 4.496 17.302 -0.747 1.00 1.90 H new ATOM 1497 N TYR A 94 4.577 15.180 3.786 1.00 0.70 N ATOM 1498 CA TYR A 94 3.939 14.385 4.829 1.00 0.71 C ATOM 1499 C TYR A 94 5.012 14.052 5.875 1.00 0.70 C ATOM 1500 O TYR A 94 6.059 13.544 5.486 1.00 0.75 O ATOM 1501 CB TYR A 94 3.318 13.133 4.216 1.00 0.76 C ATOM 1502 CG TYR A 94 2.026 13.454 3.492 1.00 0.82 C ATOM 1503 CD1 TYR A 94 0.838 13.629 4.227 1.00 1.47 C ATOM 1504 CD2 TYR A 94 2.041 13.726 2.116 1.00 2.43 C ATOM 1505 CE1 TYR A 94 -0.341 14.045 3.582 1.00 1.30 C ATOM 1506 CE2 TYR A 94 0.874 14.185 1.482 1.00 2.68 C ATOM 1507 CZ TYR A 94 -0.315 14.349 2.210 1.00 1.23 C ATOM 1508 OH TYR A 94 -1.428 14.815 1.576 1.00 1.53 O ATOM 0 H TYR A 94 4.575 14.748 2.862 1.00 0.70 H new ATOM 0 HA TYR A 94 3.129 14.931 5.312 1.00 0.71 H new ATOM 0 HB2 TYR A 94 4.023 12.679 3.520 1.00 0.76 H new ATOM 0 HB3 TYR A 94 3.125 12.400 4.999 1.00 0.76 H new ATOM 0 HD1 TYR A 94 0.832 13.443 5.291 1.00 1.47 H new ATOM 0 HD2 TYR A 94 2.947 13.583 1.546 1.00 2.43 H new ATOM 0 HE1 TYR A 94 -1.262 14.130 4.139 1.00 1.30 H new ATOM 0 HE2 TYR A 94 0.892 14.413 0.427 1.00 2.68 H new ATOM 0 HH TYR A 94 -2.198 14.754 2.179 1.00 1.53 H new ATOM 1518 N PRO A 95 4.822 14.360 7.169 1.00 0.75 N ATOM 1519 CA PRO A 95 5.897 14.324 8.158 1.00 0.82 C ATOM 1520 C PRO A 95 6.206 12.889 8.609 1.00 0.77 C ATOM 1521 O PRO A 95 6.045 12.547 9.778 1.00 0.97 O ATOM 1522 CB PRO A 95 5.399 15.221 9.300 1.00 0.97 C ATOM 1523 CG PRO A 95 3.884 15.026 9.247 1.00 0.92 C ATOM 1524 CD PRO A 95 3.618 14.937 7.744 1.00 0.82 C ATOM 0 HA PRO A 95 6.846 14.684 7.760 1.00 0.82 H new ATOM 0 HB2 PRO A 95 5.812 14.918 10.262 1.00 0.97 H new ATOM 0 HB3 PRO A 95 5.678 16.263 9.147 1.00 0.97 H new ATOM 0 HG2 PRO A 95 3.572 14.121 9.769 1.00 0.92 H new ATOM 0 HG3 PRO A 95 3.351 15.859 9.706 1.00 0.92 H new ATOM 0 HD2 PRO A 95 2.747 14.315 7.536 1.00 0.82 H new ATOM 0 HD3 PRO A 95 3.415 15.922 7.323 1.00 0.82 H new ATOM 1532 N LEU A 96 6.652 12.049 7.673 1.00 0.72 N ATOM 1533 CA LEU A 96 6.944 10.640 7.887 1.00 0.66 C ATOM 1534 C LEU A 96 8.447 10.396 7.974 1.00 0.67 C ATOM 1535 O LEU A 96 9.245 11.332 8.004 1.00 0.76 O ATOM 1536 CB LEU A 96 6.253 9.818 6.793 1.00 0.67 C ATOM 1537 CG LEU A 96 6.783 9.993 5.359 1.00 0.70 C ATOM 1538 CD1 LEU A 96 7.920 9.014 5.031 1.00 0.73 C ATOM 1539 CD2 LEU A 96 5.622 9.748 4.394 1.00 0.81 C ATOM 0 H LEU A 96 6.824 12.347 6.713 1.00 0.72 H new ATOM 0 HA LEU A 96 6.545 10.314 8.848 1.00 0.66 H new ATOM 0 HB2 LEU A 96 6.332 8.764 7.059 1.00 0.67 H new ATOM 0 HB3 LEU A 96 5.192 10.070 6.797 1.00 0.67 H new ATOM 0 HG LEU A 96 7.185 11.002 5.262 1.00 0.70 H new ATOM 0 HD11 LEU A 96 8.258 9.179 4.008 1.00 0.73 H new ATOM 0 HD12 LEU A 96 8.750 9.177 5.718 1.00 0.73 H new ATOM 0 HD13 LEU A 96 7.560 7.990 5.134 1.00 0.73 H new ATOM 0 HD21 LEU A 96 5.971 9.866 3.368 1.00 0.81 H new ATOM 0 HD22 LEU A 96 5.240 8.737 4.534 1.00 0.81 H new ATOM 0 HD23 LEU A 96 4.827 10.467 4.592 1.00 0.81 H new ATOM 1551 N SER A 97 8.836 9.121 8.004 1.00 0.76 N ATOM 1552 CA SER A 97 10.223 8.716 7.854 1.00 0.91 C ATOM 1553 C SER A 97 10.291 7.420 7.057 1.00 0.82 C ATOM 1554 O SER A 97 9.338 6.645 7.016 1.00 1.01 O ATOM 1555 CB SER A 97 10.908 8.560 9.214 1.00 1.11 C ATOM 1556 OG SER A 97 12.262 8.178 9.020 1.00 2.06 O ATOM 0 H SER A 97 8.191 8.342 8.134 1.00 0.76 H new ATOM 0 HA SER A 97 10.758 9.496 7.312 1.00 0.91 H new ATOM 0 HB2 SER A 97 10.859 9.498 9.768 1.00 1.11 H new ATOM 0 HB3 SER A 97 10.389 7.810 9.811 1.00 1.11 H new ATOM 0 HG SER A 97 12.702 8.080 9.890 1.00 2.06 H new ATOM 1562 N PHE A 98 11.455 7.210 6.447 1.00 0.62 N ATOM 1563 CA PHE A 98 11.845 6.000 5.747 1.00 0.56 C ATOM 1564 C PHE A 98 12.173 4.889 6.746 1.00 0.49 C ATOM 1565 O PHE A 98 12.043 3.715 6.407 1.00 0.45 O ATOM 1566 CB PHE A 98 13.043 6.329 4.849 1.00 0.62 C ATOM 1567 CG PHE A 98 12.716 7.407 3.827 1.00 0.68 C ATOM 1568 CD1 PHE A 98 12.840 8.765 4.187 1.00 2.05 C ATOM 1569 CD2 PHE A 98 11.944 7.057 2.704 1.00 1.70 C ATOM 1570 CE1 PHE A 98 12.091 9.746 3.512 1.00 2.13 C ATOM 1571 CE2 PHE A 98 11.224 8.041 2.005 1.00 1.67 C ATOM 1572 CZ PHE A 98 11.281 9.382 2.421 1.00 0.84 C ATOM 0 H PHE A 98 12.187 7.920 6.430 1.00 0.62 H new ATOM 0 HA PHE A 98 11.025 5.637 5.127 1.00 0.56 H new ATOM 0 HB2 PHE A 98 13.879 6.658 5.467 1.00 0.62 H new ATOM 0 HB3 PHE A 98 13.366 5.426 4.331 1.00 0.62 H new ATOM 0 HD1 PHE A 98 13.511 9.052 4.983 1.00 2.05 H new ATOM 0 HD2 PHE A 98 11.905 6.028 2.378 1.00 1.70 H new ATOM 0 HE1 PHE A 98 12.138 10.777 3.831 1.00 2.13 H new ATOM 0 HE2 PHE A 98 10.627 7.766 1.148 1.00 1.67 H new ATOM 0 HZ PHE A 98 10.703 10.133 1.903 1.00 0.84 H new ATOM 1582 N ASP A 99 12.577 5.297 7.961 1.00 0.57 N ATOM 1583 CA ASP A 99 12.840 4.522 9.172 1.00 0.63 C ATOM 1584 C ASP A 99 12.566 3.025 9.020 1.00 0.57 C ATOM 1585 O ASP A 99 13.479 2.203 9.012 1.00 0.65 O ATOM 1586 CB ASP A 99 11.998 5.142 10.298 1.00 0.84 C ATOM 1587 CG ASP A 99 11.801 4.201 11.470 1.00 1.07 C ATOM 1588 OD1 ASP A 99 12.769 3.900 12.194 1.00 1.81 O ATOM 1589 OD2 ASP A 99 10.664 3.724 11.668 1.00 2.38 O ATOM 0 H ASP A 99 12.744 6.289 8.130 1.00 0.57 H new ATOM 0 HA ASP A 99 13.904 4.575 9.401 1.00 0.63 H new ATOM 0 HB2 ASP A 99 12.482 6.054 10.647 1.00 0.84 H new ATOM 0 HB3 ASP A 99 11.024 5.430 9.901 1.00 0.84 H new ATOM 1594 N ASN A 100 11.283 2.698 8.909 1.00 0.52 N ATOM 1595 CA ASN A 100 10.784 1.342 8.758 1.00 0.50 C ATOM 1596 C ASN A 100 9.557 1.414 7.863 1.00 0.49 C ATOM 1597 O ASN A 100 8.464 1.004 8.250 1.00 0.63 O ATOM 1598 CB ASN A 100 10.502 0.796 10.154 1.00 0.59 C ATOM 1599 CG ASN A 100 10.181 -0.692 10.167 1.00 0.68 C ATOM 1600 OD1 ASN A 100 11.069 -1.531 10.273 1.00 1.44 O ATOM 1601 ND2 ASN A 100 8.901 -1.030 10.105 1.00 0.65 N ATOM 0 H ASN A 100 10.539 3.396 8.923 1.00 0.52 H new ATOM 0 HA ASN A 100 11.493 0.661 8.287 1.00 0.50 H new ATOM 0 HB2 ASN A 100 11.368 0.979 10.790 1.00 0.59 H new ATOM 0 HB3 ASN A 100 9.666 1.344 10.589 1.00 0.59 H new ATOM 0 HD21 ASN A 100 8.630 -2.013 10.145 1.00 0.65 H new ATOM 0 HD22 ASN A 100 8.186 -0.307 10.017 1.00 0.65 H new ATOM 1608 N TRP A 101 9.776 1.977 6.670 1.00 0.42 N ATOM 1609 CA TRP A 101 8.792 2.213 5.624 1.00 0.38 C ATOM 1610 C TRP A 101 9.426 1.890 4.268 1.00 0.34 C ATOM 1611 O TRP A 101 10.311 2.612 3.806 1.00 0.40 O ATOM 1612 CB TRP A 101 8.317 3.673 5.690 1.00 0.45 C ATOM 1613 CG TRP A 101 7.021 4.001 5.008 1.00 0.39 C ATOM 1614 CD1 TRP A 101 6.506 3.398 3.909 1.00 0.37 C ATOM 1615 CD2 TRP A 101 6.012 4.966 5.436 1.00 0.41 C ATOM 1616 NE1 TRP A 101 5.234 3.872 3.676 1.00 0.43 N ATOM 1617 CE2 TRP A 101 4.874 4.833 4.591 1.00 0.45 C ATOM 1618 CE3 TRP A 101 5.933 5.931 6.463 1.00 0.51 C ATOM 1619 CZ2 TRP A 101 3.711 5.590 4.774 1.00 0.61 C ATOM 1620 CZ3 TRP A 101 4.744 6.645 6.698 1.00 0.57 C ATOM 1621 CH2 TRP A 101 3.646 6.501 5.840 1.00 0.65 C ATOM 0 H TRP A 101 10.705 2.298 6.398 1.00 0.42 H new ATOM 0 HA TRP A 101 7.922 1.571 5.762 1.00 0.38 H new ATOM 0 HB2 TRP A 101 8.227 3.953 6.740 1.00 0.45 H new ATOM 0 HB3 TRP A 101 9.095 4.302 5.258 1.00 0.45 H new ATOM 0 HD1 TRP A 101 7.015 2.659 3.308 1.00 0.37 H new ATOM 0 HE1 TRP A 101 4.633 3.550 2.918 1.00 0.43 H new ATOM 0 HE3 TRP A 101 6.799 6.124 7.078 1.00 0.51 H new ATOM 0 HZ2 TRP A 101 2.873 5.475 4.103 1.00 0.61 H new ATOM 0 HZ3 TRP A 101 4.677 7.310 7.547 1.00 0.57 H new ATOM 0 HH2 TRP A 101 2.753 7.088 5.998 1.00 0.65 H new ATOM 1632 N ASP A 102 8.967 0.819 3.614 1.00 0.32 N ATOM 1633 CA ASP A 102 9.559 0.332 2.373 1.00 0.40 C ATOM 1634 C ASP A 102 8.734 0.879 1.201 1.00 0.40 C ATOM 1635 O ASP A 102 7.781 0.260 0.726 1.00 0.48 O ATOM 1636 CB ASP A 102 9.643 -1.211 2.390 1.00 0.50 C ATOM 1637 CG ASP A 102 11.033 -1.770 2.685 1.00 0.62 C ATOM 1638 OD1 ASP A 102 11.975 -1.340 1.982 1.00 1.65 O ATOM 1639 OD2 ASP A 102 11.128 -2.658 3.568 1.00 2.16 O ATOM 0 H ASP A 102 8.172 0.266 3.935 1.00 0.32 H new ATOM 0 HA ASP A 102 10.583 0.687 2.260 1.00 0.40 H new ATOM 0 HB2 ASP A 102 8.947 -1.591 3.138 1.00 0.50 H new ATOM 0 HB3 ASP A 102 9.311 -1.590 1.424 1.00 0.50 H new ATOM 1644 N PHE A 103 9.097 2.071 0.719 1.00 0.43 N ATOM 1645 CA PHE A 103 8.453 2.655 -0.451 1.00 0.48 C ATOM 1646 C PHE A 103 9.003 1.963 -1.700 1.00 0.56 C ATOM 1647 O PHE A 103 10.207 2.061 -1.940 1.00 0.71 O ATOM 1648 CB PHE A 103 8.720 4.162 -0.528 1.00 0.56 C ATOM 1649 CG PHE A 103 7.996 4.991 0.512 1.00 0.60 C ATOM 1650 CD1 PHE A 103 6.723 5.514 0.221 1.00 1.58 C ATOM 1651 CD2 PHE A 103 8.603 5.276 1.751 1.00 2.21 C ATOM 1652 CE1 PHE A 103 6.064 6.331 1.156 1.00 1.56 C ATOM 1653 CE2 PHE A 103 7.961 6.127 2.668 1.00 2.31 C ATOM 1654 CZ PHE A 103 6.690 6.650 2.372 1.00 0.87 C ATOM 0 H PHE A 103 9.834 2.647 1.124 1.00 0.43 H new ATOM 0 HA PHE A 103 7.375 2.511 -0.380 1.00 0.48 H new ATOM 0 HB2 PHE A 103 9.792 4.332 -0.426 1.00 0.56 H new ATOM 0 HB3 PHE A 103 8.434 4.517 -1.518 1.00 0.56 H new ATOM 0 HD1 PHE A 103 6.251 5.287 -0.723 1.00 1.58 H new ATOM 0 HD2 PHE A 103 9.561 4.841 1.996 1.00 2.21 H new ATOM 0 HE1 PHE A 103 5.077 6.713 0.939 1.00 1.56 H new ATOM 0 HE2 PHE A 103 8.445 6.379 3.600 1.00 2.31 H new ATOM 0 HZ PHE A 103 6.195 7.298 3.080 1.00 0.87 H new ATOM 1664 N LEU A 104 8.157 1.261 -2.467 1.00 0.56 N ATOM 1665 CA LEU A 104 8.581 0.417 -3.587 1.00 0.62 C ATOM 1666 C LEU A 104 8.279 1.037 -4.946 1.00 0.67 C ATOM 1667 O LEU A 104 7.343 1.823 -5.089 1.00 0.80 O ATOM 1668 CB LEU A 104 7.999 -0.998 -3.500 1.00 0.67 C ATOM 1669 CG LEU A 104 8.134 -1.653 -2.121 1.00 0.52 C ATOM 1670 CD1 LEU A 104 7.655 -3.101 -2.212 1.00 0.53 C ATOM 1671 CD2 LEU A 104 9.576 -1.658 -1.620 1.00 0.54 C ATOM 0 H LEU A 104 7.147 1.265 -2.323 1.00 0.56 H new ATOM 0 HA LEU A 104 9.665 0.343 -3.499 1.00 0.62 H new ATOM 0 HB2 LEU A 104 6.944 -0.961 -3.770 1.00 0.67 H new ATOM 0 HB3 LEU A 104 8.495 -1.628 -4.238 1.00 0.67 H new ATOM 0 HG LEU A 104 7.532 -1.073 -1.422 1.00 0.52 H new ATOM 0 HD11 LEU A 104 7.747 -3.577 -1.236 1.00 0.53 H new ATOM 0 HD12 LEU A 104 6.612 -3.120 -2.528 1.00 0.53 H new ATOM 0 HD13 LEU A 104 8.264 -3.641 -2.937 1.00 0.53 H new ATOM 0 HD21 LEU A 104 9.619 -2.132 -0.640 1.00 0.54 H new ATOM 0 HD22 LEU A 104 10.202 -2.212 -2.319 1.00 0.54 H new ATOM 0 HD23 LEU A 104 9.938 -0.633 -1.543 1.00 0.54 H new ATOM 1683 N THR A 105 9.059 0.660 -5.962 1.00 0.60 N ATOM 1684 CA THR A 105 8.829 1.124 -7.317 1.00 0.64 C ATOM 1685 C THR A 105 7.622 0.396 -7.921 1.00 0.63 C ATOM 1686 O THR A 105 6.560 0.987 -8.098 1.00 0.83 O ATOM 1687 CB THR A 105 10.100 0.930 -8.153 1.00 0.65 C ATOM 1688 OG1 THR A 105 10.493 -0.432 -8.143 1.00 0.62 O ATOM 1689 CG2 THR A 105 11.251 1.781 -7.612 1.00 0.81 C ATOM 0 H THR A 105 9.857 0.032 -5.863 1.00 0.60 H new ATOM 0 HA THR A 105 8.597 2.189 -7.311 1.00 0.64 H new ATOM 0 HB THR A 105 9.874 1.243 -9.172 1.00 0.65 H new ATOM 0 HG1 THR A 105 11.304 -0.542 -8.681 1.00 0.62 H new ATOM 0 HG21 THR A 105 12.139 1.623 -8.224 1.00 0.81 H new ATOM 0 HG22 THR A 105 10.971 2.834 -7.643 1.00 0.81 H new ATOM 0 HG23 THR A 105 11.464 1.493 -6.583 1.00 0.81 H new ATOM 1697 N GLY A 106 7.814 -0.885 -8.253 1.00 0.59 N ATOM 1698 CA GLY A 106 6.863 -1.717 -8.987 1.00 0.73 C ATOM 1699 C GLY A 106 7.094 -1.675 -10.503 1.00 0.71 C ATOM 1700 O GLY A 106 6.409 -2.368 -11.250 1.00 0.92 O ATOM 0 H GLY A 106 8.668 -1.386 -8.008 1.00 0.59 H new ATOM 0 HA2 GLY A 106 6.942 -2.747 -8.639 1.00 0.73 H new ATOM 0 HA3 GLY A 106 5.849 -1.384 -8.768 1.00 0.73 H new ATOM 1704 N TYR A 107 8.063 -0.870 -10.951 1.00 0.75 N ATOM 1705 CA TYR A 107 8.341 -0.564 -12.341 1.00 0.74 C ATOM 1706 C TYR A 107 7.056 -0.211 -13.094 1.00 0.73 C ATOM 1707 O TYR A 107 6.133 0.360 -12.519 1.00 1.02 O ATOM 1708 CB TYR A 107 9.191 -1.681 -12.968 1.00 0.95 C ATOM 1709 CG TYR A 107 10.076 -1.242 -14.123 1.00 1.23 C ATOM 1710 CD1 TYR A 107 11.132 -0.341 -13.887 1.00 1.81 C ATOM 1711 CD2 TYR A 107 9.886 -1.765 -15.417 1.00 2.51 C ATOM 1712 CE1 TYR A 107 11.966 0.062 -14.943 1.00 2.04 C ATOM 1713 CE2 TYR A 107 10.718 -1.358 -16.474 1.00 2.86 C ATOM 1714 CZ TYR A 107 11.766 -0.455 -16.233 1.00 2.08 C ATOM 1715 OH TYR A 107 12.587 -0.069 -17.250 1.00 2.53 O ATOM 0 H TYR A 107 8.702 -0.394 -10.314 1.00 0.75 H new ATOM 0 HA TYR A 107 8.950 0.337 -12.416 1.00 0.74 H new ATOM 0 HB2 TYR A 107 9.821 -2.117 -12.192 1.00 0.95 H new ATOM 0 HB3 TYR A 107 8.526 -2.470 -13.319 1.00 0.95 H new ATOM 0 HD1 TYR A 107 11.301 0.041 -12.891 1.00 1.81 H new ATOM 0 HD2 TYR A 107 9.098 -2.481 -15.598 1.00 2.51 H new ATOM 0 HE1 TYR A 107 12.761 0.770 -14.763 1.00 2.04 H new ATOM 0 HE2 TYR A 107 10.552 -1.739 -17.471 1.00 2.86 H new ATOM 0 HH TYR A 107 12.316 -0.518 -18.078 1.00 2.53 H new ATOM 1725 N SER A 108 7.017 -0.483 -14.394 1.00 0.79 N ATOM 1726 CA SER A 108 5.898 -0.117 -15.236 1.00 0.89 C ATOM 1727 C SER A 108 4.620 -0.773 -14.726 1.00 0.77 C ATOM 1728 O SER A 108 4.647 -1.851 -14.129 1.00 0.74 O ATOM 1729 CB SER A 108 6.203 -0.524 -16.678 1.00 1.22 C ATOM 1730 OG SER A 108 6.677 -1.858 -16.703 1.00 2.31 O ATOM 0 H SER A 108 7.767 -0.966 -14.889 1.00 0.79 H new ATOM 0 HA SER A 108 5.746 0.962 -15.206 1.00 0.89 H new ATOM 0 HB2 SER A 108 5.305 -0.434 -17.290 1.00 1.22 H new ATOM 0 HB3 SER A 108 6.949 0.146 -17.106 1.00 1.22 H new ATOM 0 HG SER A 108 6.871 -2.119 -17.627 1.00 2.31 H new ATOM 1736 N GLN A 109 3.485 -0.140 -15.011 1.00 0.93 N ATOM 1737 CA GLN A 109 2.186 -0.725 -14.753 1.00 1.04 C ATOM 1738 C GLN A 109 2.124 -2.107 -15.398 1.00 0.83 C ATOM 1739 O GLN A 109 1.621 -3.044 -14.789 1.00 0.85 O ATOM 1740 CB GLN A 109 1.094 0.217 -15.256 1.00 1.48 C ATOM 1741 CG GLN A 109 1.100 1.582 -14.566 1.00 1.95 C ATOM 1742 CD GLN A 109 0.630 1.438 -13.129 1.00 2.60 C ATOM 1743 OE1 GLN A 109 -0.567 1.465 -12.862 1.00 3.42 O ATOM 1744 NE2 GLN A 109 1.562 1.191 -12.209 1.00 2.83 N ATOM 0 H GLN A 109 3.447 0.791 -15.426 1.00 0.93 H new ATOM 0 HA GLN A 109 2.023 -0.858 -13.683 1.00 1.04 H new ATOM 0 HB2 GLN A 109 1.216 0.361 -16.330 1.00 1.48 H new ATOM 0 HB3 GLN A 109 0.122 -0.253 -15.106 1.00 1.48 H new ATOM 0 HG2 GLN A 109 2.104 2.006 -14.588 1.00 1.95 H new ATOM 0 HG3 GLN A 109 0.450 2.273 -15.103 1.00 1.95 H new ATOM 0 HE21 GLN A 109 2.547 1.177 -12.472 1.00 2.83 H new ATOM 0 HE22 GLN A 109 1.290 1.015 -11.242 1.00 2.83 H new ATOM 1753 N SER A 110 2.712 -2.243 -16.589 1.00 0.89 N ATOM 1754 CA SER A 110 2.935 -3.508 -17.268 1.00 0.99 C ATOM 1755 C SER A 110 3.490 -4.587 -16.331 1.00 0.92 C ATOM 1756 O SER A 110 3.002 -5.714 -16.345 1.00 1.08 O ATOM 1757 CB SER A 110 3.895 -3.258 -18.435 1.00 1.32 C ATOM 1758 OG SER A 110 3.636 -1.981 -18.997 1.00 1.83 O ATOM 0 H SER A 110 3.056 -1.443 -17.120 1.00 0.89 H new ATOM 0 HA SER A 110 1.979 -3.886 -17.630 1.00 0.99 H new ATOM 0 HB2 SER A 110 4.927 -3.312 -18.088 1.00 1.32 H new ATOM 0 HB3 SER A 110 3.772 -4.032 -19.193 1.00 1.32 H new ATOM 0 HG SER A 110 4.252 -1.821 -19.743 1.00 1.83 H new ATOM 1764 N GLU A 111 4.512 -4.250 -15.536 1.00 0.83 N ATOM 1765 CA GLU A 111 5.078 -5.164 -14.557 1.00 0.93 C ATOM 1766 C GLU A 111 4.088 -5.379 -13.412 1.00 0.94 C ATOM 1767 O GLU A 111 3.676 -6.506 -13.143 1.00 1.17 O ATOM 1768 CB GLU A 111 6.439 -4.645 -14.045 1.00 0.95 C ATOM 1769 CG GLU A 111 7.592 -5.334 -14.795 1.00 1.89 C ATOM 1770 CD GLU A 111 8.956 -5.084 -14.162 1.00 2.70 C ATOM 1771 OE1 GLU A 111 9.038 -5.169 -12.918 1.00 3.06 O ATOM 1772 OE2 GLU A 111 9.900 -4.829 -14.940 1.00 3.93 O ATOM 0 H GLU A 111 4.964 -3.336 -15.559 1.00 0.83 H new ATOM 0 HA GLU A 111 5.260 -6.128 -15.033 1.00 0.93 H new ATOM 0 HB2 GLU A 111 6.500 -3.566 -14.184 1.00 0.95 H new ATOM 0 HB3 GLU A 111 6.528 -4.834 -12.975 1.00 0.95 H new ATOM 0 HG2 GLU A 111 7.405 -6.407 -14.828 1.00 1.89 H new ATOM 0 HG3 GLU A 111 7.607 -4.982 -15.826 1.00 1.89 H new ATOM 1779 N ILE A 112 3.724 -4.307 -12.708 1.00 0.85 N ATOM 1780 CA ILE A 112 2.980 -4.458 -11.459 1.00 1.11 C ATOM 1781 C ILE A 112 1.522 -4.940 -11.649 1.00 1.10 C ATOM 1782 O ILE A 112 0.908 -5.373 -10.673 1.00 1.12 O ATOM 1783 CB ILE A 112 3.199 -3.248 -10.533 1.00 1.39 C ATOM 1784 CG1 ILE A 112 2.505 -3.449 -9.179 1.00 1.79 C ATOM 1785 CG2 ILE A 112 2.863 -1.885 -11.142 1.00 1.39 C ATOM 1786 CD1 ILE A 112 3.384 -2.953 -8.038 1.00 1.66 C ATOM 0 H ILE A 112 3.927 -3.344 -12.974 1.00 0.85 H new ATOM 0 HA ILE A 112 3.404 -5.300 -10.912 1.00 1.11 H new ATOM 0 HB ILE A 112 4.277 -3.213 -10.378 1.00 1.39 H new ATOM 0 HG12 ILE A 112 1.555 -2.915 -9.170 1.00 1.79 H new ATOM 0 HG13 ILE A 112 2.278 -4.505 -9.036 1.00 1.79 H new ATOM 0 HG21 ILE A 112 3.052 -1.102 -10.408 1.00 1.39 H new ATOM 0 HG22 ILE A 112 3.485 -1.716 -12.021 1.00 1.39 H new ATOM 0 HG23 ILE A 112 1.812 -1.865 -11.431 1.00 1.39 H new ATOM 0 HD11 ILE A 112 2.870 -3.107 -7.089 1.00 1.66 H new ATOM 0 HD12 ILE A 112 4.323 -3.506 -8.035 1.00 1.66 H new ATOM 0 HD13 ILE A 112 3.589 -1.891 -8.172 1.00 1.66 H new ATOM 1798 N GLU A 113 0.971 -4.915 -12.875 1.00 1.12 N ATOM 1799 CA GLU A 113 -0.393 -5.345 -13.209 1.00 1.14 C ATOM 1800 C GLU A 113 -0.822 -6.578 -12.417 1.00 1.04 C ATOM 1801 O GLU A 113 -1.663 -6.468 -11.528 1.00 0.91 O ATOM 1802 CB GLU A 113 -0.559 -5.560 -14.731 1.00 1.44 C ATOM 1803 CG GLU A 113 -1.972 -5.233 -15.251 1.00 1.93 C ATOM 1804 CD GLU A 113 -3.063 -6.252 -14.956 1.00 3.51 C ATOM 1805 OE1 GLU A 113 -2.733 -7.363 -14.499 1.00 4.64 O ATOM 1806 OE2 GLU A 113 -4.231 -5.890 -15.232 1.00 4.37 O ATOM 0 H GLU A 113 1.486 -4.581 -13.690 1.00 1.12 H new ATOM 0 HA GLU A 113 -1.062 -4.536 -12.914 1.00 1.14 H new ATOM 0 HB2 GLU A 113 0.165 -4.939 -15.258 1.00 1.44 H new ATOM 0 HB3 GLU A 113 -0.324 -6.597 -14.970 1.00 1.44 H new ATOM 0 HG2 GLU A 113 -2.277 -4.276 -14.828 1.00 1.93 H new ATOM 0 HG3 GLU A 113 -1.914 -5.100 -16.331 1.00 1.93 H new ATOM 1813 N GLU A 114 -0.217 -7.731 -12.708 1.00 1.18 N ATOM 1814 CA GLU A 114 -0.669 -9.008 -12.181 1.00 1.21 C ATOM 1815 C GLU A 114 -0.660 -8.984 -10.656 1.00 1.08 C ATOM 1816 O GLU A 114 -1.661 -9.319 -10.025 1.00 1.04 O ATOM 1817 CB GLU A 114 0.178 -10.133 -12.768 1.00 1.40 C ATOM 1818 CG GLU A 114 -0.386 -11.513 -12.416 1.00 1.68 C ATOM 1819 CD GLU A 114 0.426 -12.648 -13.029 1.00 1.68 C ATOM 1820 OE1 GLU A 114 1.633 -12.426 -13.263 1.00 1.90 O ATOM 1821 OE2 GLU A 114 -0.182 -13.717 -13.252 1.00 2.81 O ATOM 0 H GLU A 114 0.599 -7.800 -13.316 1.00 1.18 H new ATOM 0 HA GLU A 114 -1.701 -9.194 -12.480 1.00 1.21 H new ATOM 0 HB2 GLU A 114 0.225 -10.025 -13.852 1.00 1.40 H new ATOM 0 HB3 GLU A 114 1.199 -10.052 -12.395 1.00 1.40 H new ATOM 0 HG2 GLU A 114 -0.406 -11.628 -11.332 1.00 1.68 H new ATOM 0 HG3 GLU A 114 -1.417 -11.580 -12.762 1.00 1.68 H new ATOM 1828 N PHE A 115 0.457 -8.540 -10.069 1.00 1.04 N ATOM 1829 CA PHE A 115 0.595 -8.395 -8.629 1.00 0.94 C ATOM 1830 C PHE A 115 -0.566 -7.570 -8.072 1.00 0.77 C ATOM 1831 O PHE A 115 -1.249 -7.994 -7.141 1.00 0.80 O ATOM 1832 CB PHE A 115 1.949 -7.748 -8.296 1.00 0.95 C ATOM 1833 CG PHE A 115 2.089 -7.343 -6.840 1.00 0.94 C ATOM 1834 CD1 PHE A 115 2.423 -8.300 -5.864 1.00 2.29 C ATOM 1835 CD2 PHE A 115 1.745 -6.037 -6.445 1.00 1.52 C ATOM 1836 CE1 PHE A 115 2.395 -7.954 -4.501 1.00 2.36 C ATOM 1837 CE2 PHE A 115 1.756 -5.682 -5.088 1.00 1.53 C ATOM 1838 CZ PHE A 115 2.060 -6.644 -4.112 1.00 1.11 C ATOM 0 H PHE A 115 1.292 -8.271 -10.590 1.00 1.04 H new ATOM 0 HA PHE A 115 0.564 -9.379 -8.161 1.00 0.94 H new ATOM 0 HB2 PHE A 115 2.747 -8.446 -8.548 1.00 0.95 H new ATOM 0 HB3 PHE A 115 2.085 -6.867 -8.924 1.00 0.95 H new ATOM 0 HD1 PHE A 115 2.701 -9.300 -6.162 1.00 2.29 H new ATOM 0 HD2 PHE A 115 1.471 -5.305 -7.190 1.00 1.52 H new ATOM 0 HE1 PHE A 115 2.631 -8.695 -3.752 1.00 2.36 H new ATOM 0 HE2 PHE A 115 1.530 -4.668 -4.794 1.00 1.53 H new ATOM 0 HZ PHE A 115 2.037 -6.379 -3.065 1.00 1.11 H new ATOM 1848 N ALA A 116 -0.789 -6.381 -8.631 1.00 0.69 N ATOM 1849 CA ALA A 116 -1.807 -5.461 -8.154 1.00 0.63 C ATOM 1850 C ALA A 116 -3.211 -6.043 -8.318 1.00 0.70 C ATOM 1851 O ALA A 116 -4.070 -5.846 -7.456 1.00 0.72 O ATOM 1852 CB ALA A 116 -1.681 -4.145 -8.911 1.00 0.81 C ATOM 0 H ALA A 116 -0.262 -6.032 -9.432 1.00 0.69 H new ATOM 0 HA ALA A 116 -1.653 -5.289 -7.089 1.00 0.63 H new ATOM 0 HB1 ALA A 116 -2.442 -3.448 -8.559 1.00 0.81 H new ATOM 0 HB2 ALA A 116 -0.692 -3.720 -8.739 1.00 0.81 H new ATOM 0 HB3 ALA A 116 -1.819 -4.324 -9.977 1.00 0.81 H new ATOM 1858 N LEU A 117 -3.453 -6.738 -9.428 1.00 0.78 N ATOM 1859 CA LEU A 117 -4.707 -7.410 -9.729 1.00 0.88 C ATOM 1860 C LEU A 117 -4.989 -8.468 -8.667 1.00 0.93 C ATOM 1861 O LEU A 117 -6.025 -8.423 -8.008 1.00 0.97 O ATOM 1862 CB LEU A 117 -4.651 -8.011 -11.150 1.00 0.99 C ATOM 1863 CG LEU A 117 -5.648 -7.379 -12.134 1.00 1.05 C ATOM 1864 CD1 LEU A 117 -7.098 -7.707 -11.758 1.00 1.34 C ATOM 1865 CD2 LEU A 117 -5.442 -5.864 -12.271 1.00 1.39 C ATOM 0 H LEU A 117 -2.756 -6.850 -10.164 1.00 0.78 H new ATOM 0 HA LEU A 117 -5.529 -6.695 -9.709 1.00 0.88 H new ATOM 0 HB2 LEU A 117 -3.642 -7.892 -11.544 1.00 0.99 H new ATOM 0 HB3 LEU A 117 -4.845 -9.082 -11.089 1.00 0.99 H new ATOM 0 HG LEU A 117 -5.449 -7.822 -13.110 1.00 1.05 H new ATOM 0 HD11 LEU A 117 -7.774 -7.243 -12.476 1.00 1.34 H new ATOM 0 HD12 LEU A 117 -7.241 -8.787 -11.770 1.00 1.34 H new ATOM 0 HD13 LEU A 117 -7.311 -7.324 -10.760 1.00 1.34 H new ATOM 0 HD21 LEU A 117 -6.168 -5.460 -12.976 1.00 1.39 H new ATOM 0 HD22 LEU A 117 -5.577 -5.389 -11.299 1.00 1.39 H new ATOM 0 HD23 LEU A 117 -4.434 -5.665 -12.635 1.00 1.39 H new ATOM 1877 N LYS A 118 -4.046 -9.395 -8.491 1.00 1.00 N ATOM 1878 CA LYS A 118 -4.080 -10.423 -7.462 1.00 1.15 C ATOM 1879 C LYS A 118 -4.349 -9.802 -6.091 1.00 1.11 C ATOM 1880 O LYS A 118 -5.346 -10.124 -5.446 1.00 1.24 O ATOM 1881 CB LYS A 118 -2.746 -11.185 -7.495 1.00 1.27 C ATOM 1882 CG LYS A 118 -2.846 -12.474 -8.317 1.00 1.68 C ATOM 1883 CD LYS A 118 -3.320 -13.619 -7.409 1.00 3.12 C ATOM 1884 CE LYS A 118 -3.254 -14.977 -8.121 1.00 3.71 C ATOM 1885 NZ LYS A 118 -3.085 -16.073 -7.148 1.00 5.33 N ATOM 0 H LYS A 118 -3.215 -9.449 -9.080 1.00 1.00 H new ATOM 0 HA LYS A 118 -4.893 -11.124 -7.653 1.00 1.15 H new ATOM 0 HB2 LYS A 118 -1.972 -10.544 -7.917 1.00 1.27 H new ATOM 0 HB3 LYS A 118 -2.440 -11.426 -6.477 1.00 1.27 H new ATOM 0 HG2 LYS A 118 -3.543 -12.338 -9.144 1.00 1.68 H new ATOM 0 HG3 LYS A 118 -1.877 -12.717 -8.753 1.00 1.68 H new ATOM 0 HD2 LYS A 118 -2.703 -13.649 -6.511 1.00 3.12 H new ATOM 0 HD3 LYS A 118 -4.343 -13.427 -7.087 1.00 3.12 H new ATOM 0 HE2 LYS A 118 -4.165 -15.135 -8.698 1.00 3.71 H new ATOM 0 HE3 LYS A 118 -2.424 -14.982 -8.828 1.00 3.71 H new ATOM 0 HZ1 LYS A 118 -3.295 -16.982 -7.609 1.00 5.33 H new ATOM 0 HZ2 LYS A 118 -2.105 -16.080 -6.800 1.00 5.33 H new ATOM 0 HZ3 LYS A 118 -3.736 -15.931 -6.349 1.00 5.33 H new ATOM 1899 N SER A 119 -3.467 -8.898 -5.663 1.00 1.00 N ATOM 1900 CA SER A 119 -3.547 -8.266 -4.359 1.00 1.04 C ATOM 1901 C SER A 119 -4.880 -7.538 -4.147 1.00 1.04 C ATOM 1902 O SER A 119 -5.462 -7.634 -3.070 1.00 1.27 O ATOM 1903 CB SER A 119 -2.387 -7.282 -4.197 1.00 1.03 C ATOM 1904 OG SER A 119 -1.147 -7.920 -4.420 1.00 1.40 O ATOM 0 H SER A 119 -2.673 -8.586 -6.221 1.00 1.00 H new ATOM 0 HA SER A 119 -3.483 -9.051 -3.606 1.00 1.04 H new ATOM 0 HB2 SER A 119 -2.506 -6.456 -4.898 1.00 1.03 H new ATOM 0 HB3 SER A 119 -2.405 -6.855 -3.194 1.00 1.03 H new ATOM 0 HG SER A 119 -0.956 -7.937 -5.381 1.00 1.40 H new ATOM 1910 N PHE A 120 -5.319 -6.756 -5.142 1.00 0.91 N ATOM 1911 CA PHE A 120 -6.367 -5.755 -4.969 1.00 1.00 C ATOM 1912 C PHE A 120 -7.330 -5.688 -6.140 1.00 1.04 C ATOM 1913 O PHE A 120 -8.519 -5.900 -5.932 1.00 1.30 O ATOM 1914 CB PHE A 120 -5.740 -4.381 -4.691 1.00 1.01 C ATOM 1915 CG PHE A 120 -4.857 -4.353 -3.459 1.00 1.07 C ATOM 1916 CD1 PHE A 120 -5.414 -4.644 -2.201 1.00 2.11 C ATOM 1917 CD2 PHE A 120 -3.467 -4.162 -3.580 1.00 1.55 C ATOM 1918 CE1 PHE A 120 -4.584 -4.777 -1.077 1.00 2.22 C ATOM 1919 CE2 PHE A 120 -2.643 -4.255 -2.443 1.00 1.54 C ATOM 1920 CZ PHE A 120 -3.203 -4.551 -1.189 1.00 1.27 C ATOM 0 H PHE A 120 -4.952 -6.804 -6.092 1.00 0.91 H new ATOM 0 HA PHE A 120 -6.963 -6.062 -4.109 1.00 1.00 H new ATOM 0 HB2 PHE A 120 -5.151 -4.078 -5.557 1.00 1.01 H new ATOM 0 HB3 PHE A 120 -6.536 -3.645 -4.574 1.00 1.01 H new ATOM 0 HD1 PHE A 120 -6.482 -4.765 -2.100 1.00 2.11 H new ATOM 0 HD2 PHE A 120 -3.034 -3.944 -4.545 1.00 1.55 H new ATOM 0 HE1 PHE A 120 -5.009 -5.054 -0.123 1.00 2.22 H new ATOM 0 HE2 PHE A 120 -1.578 -4.099 -2.535 1.00 1.54 H new ATOM 0 HZ PHE A 120 -2.573 -4.605 -0.314 1.00 1.27 H new ATOM 1930 N LYS A 121 -6.855 -5.376 -7.344 1.00 1.02 N ATOM 1931 CA LYS A 121 -7.500 -4.513 -8.335 1.00 1.30 C ATOM 1932 C LYS A 121 -7.076 -3.037 -8.176 1.00 1.44 C ATOM 1933 O LYS A 121 -7.862 -2.109 -7.958 1.00 1.95 O ATOM 1934 CB LYS A 121 -8.998 -4.803 -8.554 1.00 1.56 C ATOM 1935 CG LYS A 121 -10.007 -3.814 -7.965 1.00 1.84 C ATOM 1936 CD LYS A 121 -9.807 -3.445 -6.493 1.00 1.75 C ATOM 1937 CE LYS A 121 -10.616 -2.186 -6.155 1.00 2.08 C ATOM 1938 NZ LYS A 121 -9.808 -0.948 -6.321 1.00 2.78 N ATOM 0 H LYS A 121 -5.960 -5.738 -7.674 1.00 1.02 H new ATOM 0 HA LYS A 121 -7.106 -4.787 -9.314 1.00 1.30 H new ATOM 0 HB2 LYS A 121 -9.175 -4.863 -9.628 1.00 1.56 H new ATOM 0 HB3 LYS A 121 -9.213 -5.788 -8.140 1.00 1.56 H new ATOM 0 HG2 LYS A 121 -9.975 -2.898 -8.556 1.00 1.84 H new ATOM 0 HG3 LYS A 121 -11.006 -4.233 -8.081 1.00 1.84 H new ATOM 0 HD2 LYS A 121 -10.122 -4.272 -5.856 1.00 1.75 H new ATOM 0 HD3 LYS A 121 -8.749 -3.273 -6.293 1.00 1.75 H new ATOM 0 HE2 LYS A 121 -11.495 -2.135 -6.798 1.00 2.08 H new ATOM 0 HE3 LYS A 121 -10.976 -2.250 -5.128 1.00 2.08 H new ATOM 0 HZ1 LYS A 121 -10.391 -0.210 -6.764 1.00 2.78 H new ATOM 0 HZ2 LYS A 121 -9.481 -0.619 -5.390 1.00 2.78 H new ATOM 0 HZ3 LYS A 121 -8.986 -1.149 -6.925 1.00 2.78 H new ATOM 1952 N ALA A 122 -5.772 -2.826 -8.331 1.00 1.18 N ATOM 1953 CA ALA A 122 -5.189 -1.512 -8.533 1.00 1.37 C ATOM 1954 C ALA A 122 -4.411 -1.576 -9.857 1.00 1.33 C ATOM 1955 O ALA A 122 -4.276 -2.669 -10.407 1.00 2.23 O ATOM 1956 CB ALA A 122 -4.306 -1.167 -7.330 1.00 1.57 C ATOM 0 H ALA A 122 -5.083 -3.578 -8.319 1.00 1.18 H new ATOM 0 HA ALA A 122 -5.936 -0.721 -8.602 1.00 1.37 H new ATOM 0 HB1 ALA A 122 -3.864 -0.181 -7.474 1.00 1.57 H new ATOM 0 HB2 ALA A 122 -4.911 -1.165 -6.423 1.00 1.57 H new ATOM 0 HB3 ALA A 122 -3.514 -1.909 -7.235 1.00 1.57 H new ATOM 1962 N ILE A 123 -3.875 -0.445 -10.334 1.00 1.48 N ATOM 1963 CA ILE A 123 -2.886 -0.372 -11.414 1.00 1.37 C ATOM 1964 C ILE A 123 -3.455 -0.651 -12.828 1.00 1.47 C ATOM 1965 O ILE A 123 -4.538 -1.211 -12.983 1.00 2.45 O ATOM 1966 CB ILE A 123 -1.638 -1.205 -11.023 1.00 2.70 C ATOM 1967 CG1 ILE A 123 -0.668 -0.407 -10.135 1.00 4.61 C ATOM 1968 CG2 ILE A 123 -0.885 -1.846 -12.189 1.00 3.43 C ATOM 1969 CD1 ILE A 123 -1.153 -0.227 -8.700 1.00 5.95 C ATOM 0 H ILE A 123 -4.127 0.473 -9.966 1.00 1.48 H new ATOM 0 HA ILE A 123 -2.566 0.665 -11.517 1.00 1.37 H new ATOM 0 HB ILE A 123 -2.053 -2.036 -10.452 1.00 2.70 H new ATOM 0 HG12 ILE A 123 0.297 -0.913 -10.122 1.00 4.61 H new ATOM 0 HG13 ILE A 123 -0.507 0.575 -10.580 1.00 4.61 H new ATOM 0 HG21 ILE A 123 -0.031 -2.405 -11.807 1.00 3.43 H new ATOM 0 HG22 ILE A 123 -1.551 -2.522 -12.724 1.00 3.43 H new ATOM 0 HG23 ILE A 123 -0.536 -1.068 -12.868 1.00 3.43 H new ATOM 0 HD11 ILE A 123 -0.416 0.345 -8.136 1.00 5.95 H new ATOM 0 HD12 ILE A 123 -2.103 0.307 -8.701 1.00 5.95 H new ATOM 0 HD13 ILE A 123 -1.286 -1.204 -8.236 1.00 5.95 H new ATOM 2201 N SER A 138 -5.991 3.830 0.228 1.00 1.54 N ATOM 2202 CA SER A 138 -6.569 3.220 1.417 1.00 1.31 C ATOM 2203 C SER A 138 -5.488 2.399 2.122 1.00 1.05 C ATOM 2204 O SER A 138 -4.361 2.324 1.638 1.00 1.10 O ATOM 2205 CB SER A 138 -7.800 2.384 1.030 1.00 1.28 C ATOM 2206 OG SER A 138 -8.865 3.255 0.692 1.00 1.54 O ATOM 0 HA SER A 138 -6.918 3.981 2.116 1.00 1.31 H new ATOM 0 HB2 SER A 138 -7.564 1.735 0.187 1.00 1.28 H new ATOM 0 HB3 SER A 138 -8.091 1.738 1.858 1.00 1.28 H new ATOM 0 HG SER A 138 -8.507 4.056 0.256 1.00 1.54 H new ATOM 2212 N PHE A 139 -5.842 1.829 3.273 1.00 0.97 N ATOM 2213 CA PHE A 139 -5.000 1.003 4.121 1.00 0.82 C ATOM 2214 C PHE A 139 -5.260 -0.479 3.849 1.00 0.70 C ATOM 2215 O PHE A 139 -6.403 -0.872 3.612 1.00 0.76 O ATOM 2216 CB PHE A 139 -5.332 1.275 5.593 1.00 1.03 C ATOM 2217 CG PHE A 139 -4.201 1.874 6.392 1.00 0.81 C ATOM 2218 CD1 PHE A 139 -3.017 1.134 6.554 1.00 1.78 C ATOM 2219 CD2 PHE A 139 -4.331 3.139 6.996 1.00 2.21 C ATOM 2220 CE1 PHE A 139 -1.948 1.671 7.281 1.00 1.93 C ATOM 2221 CE2 PHE A 139 -3.276 3.653 7.770 1.00 2.11 C ATOM 2222 CZ PHE A 139 -2.084 2.919 7.900 1.00 0.89 C ATOM 0 H PHE A 139 -6.781 1.941 3.656 1.00 0.97 H new ATOM 0 HA PHE A 139 -3.959 1.244 3.907 1.00 0.82 H new ATOM 0 HB2 PHE A 139 -6.189 1.947 5.640 1.00 1.03 H new ATOM 0 HB3 PHE A 139 -5.635 0.339 6.062 1.00 1.03 H new ATOM 0 HD1 PHE A 139 -2.932 0.150 6.117 1.00 1.78 H new ATOM 0 HD2 PHE A 139 -5.237 3.712 6.865 1.00 2.21 H new ATOM 0 HE1 PHE A 139 -1.021 1.124 7.364 1.00 1.93 H new ATOM 0 HE2 PHE A 139 -3.381 4.608 8.263 1.00 2.11 H new ATOM 0 HZ PHE A 139 -1.268 3.321 8.482 1.00 0.89 H new ATOM 2232 N TYR A 140 -4.211 -1.292 3.960 1.00 0.61 N ATOM 2233 CA TYR A 140 -4.244 -2.729 3.696 1.00 0.67 C ATOM 2234 C TYR A 140 -3.276 -3.491 4.612 1.00 0.68 C ATOM 2235 O TYR A 140 -2.092 -3.159 4.661 1.00 0.88 O ATOM 2236 CB TYR A 140 -3.858 -2.983 2.235 1.00 0.80 C ATOM 2237 CG TYR A 140 -4.586 -2.120 1.224 1.00 1.39 C ATOM 2238 CD1 TYR A 140 -5.853 -2.504 0.769 1.00 1.62 C ATOM 2239 CD2 TYR A 140 -4.049 -0.887 0.810 1.00 3.04 C ATOM 2240 CE1 TYR A 140 -6.517 -1.721 -0.183 1.00 2.07 C ATOM 2241 CE2 TYR A 140 -4.713 -0.106 -0.153 1.00 3.81 C ATOM 2242 CZ TYR A 140 -5.946 -0.536 -0.664 1.00 2.99 C ATOM 2243 OH TYR A 140 -6.612 0.199 -1.602 1.00 3.87 O ATOM 0 H TYR A 140 -3.289 -0.960 4.244 1.00 0.61 H new ATOM 0 HA TYR A 140 -5.254 -3.088 3.893 1.00 0.67 H new ATOM 0 HB2 TYR A 140 -2.786 -2.821 2.124 1.00 0.80 H new ATOM 0 HB3 TYR A 140 -4.048 -4.030 2.001 1.00 0.80 H new ATOM 0 HD1 TYR A 140 -6.317 -3.401 1.151 1.00 1.62 H new ATOM 0 HD2 TYR A 140 -3.120 -0.538 1.235 1.00 3.04 H new ATOM 0 HE1 TYR A 140 -7.482 -2.035 -0.551 1.00 2.07 H new ATOM 0 HE2 TYR A 140 -4.276 0.820 -0.497 1.00 3.81 H new ATOM 0 HH TYR A 140 -6.073 0.252 -2.419 1.00 3.87 H new ATOM 2253 N LEU A 141 -3.757 -4.531 5.309 1.00 0.68 N ATOM 2254 CA LEU A 141 -2.946 -5.379 6.184 1.00 0.67 C ATOM 2255 C LEU A 141 -2.684 -6.724 5.510 1.00 0.69 C ATOM 2256 O LEU A 141 -3.579 -7.570 5.404 1.00 0.72 O ATOM 2257 CB LEU A 141 -3.655 -5.526 7.533 1.00 0.75 C ATOM 2258 CG LEU A 141 -2.893 -6.368 8.576 1.00 0.72 C ATOM 2259 CD1 LEU A 141 -3.014 -5.707 9.954 1.00 0.94 C ATOM 2260 CD2 LEU A 141 -3.468 -7.789 8.665 1.00 0.89 C ATOM 0 H LEU A 141 -4.738 -4.808 5.277 1.00 0.68 H new ATOM 0 HA LEU A 141 -1.973 -4.922 6.366 1.00 0.67 H new ATOM 0 HB2 LEU A 141 -3.829 -4.532 7.946 1.00 0.75 H new ATOM 0 HB3 LEU A 141 -4.633 -5.978 7.366 1.00 0.75 H new ATOM 0 HG LEU A 141 -1.849 -6.425 8.267 1.00 0.72 H new ATOM 0 HD11 LEU A 141 -2.475 -6.302 10.692 1.00 0.94 H new ATOM 0 HD12 LEU A 141 -2.588 -4.705 9.915 1.00 0.94 H new ATOM 0 HD13 LEU A 141 -4.065 -5.644 10.236 1.00 0.94 H new ATOM 0 HD21 LEU A 141 -2.912 -8.361 9.408 1.00 0.89 H new ATOM 0 HD22 LEU A 141 -4.517 -7.739 8.956 1.00 0.89 H new ATOM 0 HD23 LEU A 141 -3.384 -8.277 7.694 1.00 0.89 H new ATOM 2272 N VAL A 142 -1.442 -6.905 5.056 1.00 0.69 N ATOM 2273 CA VAL A 142 -0.973 -8.081 4.358 1.00 0.67 C ATOM 2274 C VAL A 142 -0.527 -9.126 5.379 1.00 0.66 C ATOM 2275 O VAL A 142 0.362 -8.895 6.200 1.00 0.65 O ATOM 2276 CB VAL A 142 0.147 -7.720 3.375 1.00 0.65 C ATOM 2277 CG1 VAL A 142 0.408 -8.925 2.460 1.00 0.74 C ATOM 2278 CG2 VAL A 142 -0.204 -6.495 2.520 1.00 0.70 C ATOM 0 H VAL A 142 -0.714 -6.201 5.175 1.00 0.69 H new ATOM 0 HA VAL A 142 -1.784 -8.505 3.765 1.00 0.67 H new ATOM 0 HB VAL A 142 1.037 -7.470 3.952 1.00 0.65 H new ATOM 0 HG11 VAL A 142 1.203 -8.681 1.755 1.00 0.74 H new ATOM 0 HG12 VAL A 142 0.708 -9.782 3.063 1.00 0.74 H new ATOM 0 HG13 VAL A 142 -0.501 -9.169 1.911 1.00 0.74 H new ATOM 0 HG21 VAL A 142 0.619 -6.278 1.840 1.00 0.70 H new ATOM 0 HG22 VAL A 142 -1.106 -6.700 1.944 1.00 0.70 H new ATOM 0 HG23 VAL A 142 -0.375 -5.636 3.168 1.00 0.70 H new ATOM 2288 N GLY A 143 -1.185 -10.279 5.342 1.00 0.72 N ATOM 2289 CA GLY A 143 -0.976 -11.344 6.293 1.00 0.71 C ATOM 2290 C GLY A 143 0.355 -12.070 6.120 1.00 0.54 C ATOM 2291 O GLY A 143 1.072 -11.867 5.138 1.00 0.55 O ATOM 0 H GLY A 143 -1.888 -10.495 4.636 1.00 0.72 H new ATOM 0 HA2 GLY A 143 -1.027 -10.934 7.301 1.00 0.71 H new ATOM 0 HA3 GLY A 143 -1.788 -12.066 6.201 1.00 0.71 H new ATOM 2295 N PRO A 144 0.636 -12.984 7.060 1.00 0.56 N ATOM 2296 CA PRO A 144 1.836 -13.792 7.086 1.00 0.59 C ATOM 2297 C PRO A 144 1.921 -14.612 5.809 1.00 0.63 C ATOM 2298 O PRO A 144 2.919 -14.536 5.101 1.00 0.96 O ATOM 2299 CB PRO A 144 1.740 -14.642 8.357 1.00 0.78 C ATOM 2300 CG PRO A 144 0.243 -14.714 8.655 1.00 0.88 C ATOM 2301 CD PRO A 144 -0.275 -13.378 8.118 1.00 0.75 C ATOM 0 HA PRO A 144 2.753 -13.204 7.117 1.00 0.59 H new ATOM 0 HB2 PRO A 144 2.163 -15.635 8.204 1.00 0.78 H new ATOM 0 HB3 PRO A 144 2.288 -14.186 9.182 1.00 0.78 H new ATOM 0 HG2 PRO A 144 -0.228 -15.561 8.156 1.00 0.88 H new ATOM 0 HG3 PRO A 144 0.048 -14.824 9.722 1.00 0.88 H new ATOM 0 HD2 PRO A 144 -1.292 -13.479 7.738 1.00 0.75 H new ATOM 0 HD3 PRO A 144 -0.303 -12.626 8.907 1.00 0.75 H new ATOM 2309 N ASP A 145 0.869 -15.354 5.469 1.00 0.75 N ATOM 2310 CA ASP A 145 0.849 -16.186 4.277 1.00 0.74 C ATOM 2311 C ASP A 145 0.417 -15.383 3.042 1.00 1.00 C ATOM 2312 O ASP A 145 -0.452 -15.805 2.289 1.00 2.03 O ATOM 2313 CB ASP A 145 -0.003 -17.426 4.523 1.00 1.18 C ATOM 2314 CG ASP A 145 0.109 -18.439 3.391 1.00 2.30 C ATOM 2315 OD1 ASP A 145 1.218 -18.521 2.809 1.00 3.85 O ATOM 2316 OD2 ASP A 145 -0.903 -19.129 3.153 1.00 2.91 O ATOM 0 H ASP A 145 0.008 -15.392 6.015 1.00 0.75 H new ATOM 0 HA ASP A 145 1.860 -16.531 4.061 1.00 0.74 H new ATOM 0 HB2 ASP A 145 0.303 -17.895 5.458 1.00 1.18 H new ATOM 0 HB3 ASP A 145 -1.045 -17.130 4.641 1.00 1.18 H new ATOM 2321 N GLY A 146 1.032 -14.211 2.845 1.00 0.64 N ATOM 2322 CA GLY A 146 0.844 -13.349 1.680 1.00 0.71 C ATOM 2323 C GLY A 146 -0.612 -13.213 1.224 1.00 0.87 C ATOM 2324 O GLY A 146 -0.894 -13.257 0.029 1.00 1.62 O ATOM 0 H GLY A 146 1.696 -13.827 3.517 1.00 0.64 H new ATOM 0 HA2 GLY A 146 1.235 -12.358 1.910 1.00 0.71 H new ATOM 0 HA3 GLY A 146 1.436 -13.741 0.853 1.00 0.71 H new ATOM 2328 N LYS A 147 -1.540 -13.022 2.162 1.00 0.72 N ATOM 2329 CA LYS A 147 -2.942 -12.803 1.880 1.00 0.84 C ATOM 2330 C LYS A 147 -3.413 -11.608 2.693 1.00 0.82 C ATOM 2331 O LYS A 147 -3.134 -11.543 3.888 1.00 0.83 O ATOM 2332 CB LYS A 147 -3.749 -14.065 2.117 1.00 0.93 C ATOM 2333 CG LYS A 147 -3.578 -14.653 3.512 1.00 0.93 C ATOM 2334 CD LYS A 147 -4.424 -15.924 3.608 1.00 1.06 C ATOM 2335 CE LYS A 147 -4.497 -16.466 5.039 1.00 1.38 C ATOM 2336 NZ LYS A 147 -5.537 -17.508 5.156 1.00 2.32 N ATOM 0 H LYS A 147 -1.324 -13.017 3.159 1.00 0.72 H new ATOM 0 HA LYS A 147 -3.093 -12.568 0.826 1.00 0.84 H new ATOM 0 HB2 LYS A 147 -4.804 -13.846 1.952 1.00 0.93 H new ATOM 0 HB3 LYS A 147 -3.460 -14.814 1.380 1.00 0.93 H new ATOM 0 HG2 LYS A 147 -2.529 -14.881 3.702 1.00 0.93 H new ATOM 0 HG3 LYS A 147 -3.889 -13.932 4.268 1.00 0.93 H new ATOM 0 HD2 LYS A 147 -5.432 -15.715 3.249 1.00 1.06 H new ATOM 0 HD3 LYS A 147 -4.004 -16.688 2.953 1.00 1.06 H new ATOM 0 HE2 LYS A 147 -3.530 -16.878 5.326 1.00 1.38 H new ATOM 0 HE3 LYS A 147 -4.714 -15.651 5.730 1.00 1.38 H new ATOM 0 HZ1 LYS A 147 -5.807 -17.618 6.154 1.00 2.32 H new ATOM 0 HZ2 LYS A 147 -6.371 -17.230 4.600 1.00 2.32 H new ATOM 0 HZ3 LYS A 147 -5.166 -18.410 4.796 1.00 2.32 H new ATOM 2350 N VAL A 148 -4.096 -10.652 2.067 1.00 0.86 N ATOM 2351 CA VAL A 148 -4.548 -9.467 2.771 1.00 0.92 C ATOM 2352 C VAL A 148 -5.760 -9.872 3.594 1.00 0.94 C ATOM 2353 O VAL A 148 -6.693 -10.479 3.064 1.00 0.99 O ATOM 2354 CB VAL A 148 -4.835 -8.303 1.813 1.00 1.00 C ATOM 2355 CG1 VAL A 148 -5.023 -7.005 2.606 1.00 1.10 C ATOM 2356 CG2 VAL A 148 -3.668 -8.125 0.832 1.00 1.43 C ATOM 0 H VAL A 148 -4.345 -10.679 1.078 1.00 0.86 H new ATOM 0 HA VAL A 148 -3.767 -9.090 3.431 1.00 0.92 H new ATOM 0 HB VAL A 148 -5.746 -8.529 1.258 1.00 1.00 H new ATOM 0 HG11 VAL A 148 -5.226 -6.184 1.918 1.00 1.10 H new ATOM 0 HG12 VAL A 148 -5.861 -7.117 3.294 1.00 1.10 H new ATOM 0 HG13 VAL A 148 -4.116 -6.789 3.171 1.00 1.10 H new ATOM 0 HG21 VAL A 148 -3.883 -7.296 0.157 1.00 1.43 H new ATOM 0 HG22 VAL A 148 -2.755 -7.913 1.388 1.00 1.43 H new ATOM 0 HG23 VAL A 148 -3.536 -9.039 0.253 1.00 1.43 H new ATOM 2366 N LEU A 149 -5.680 -9.605 4.900 1.00 0.91 N ATOM 2367 CA LEU A 149 -6.638 -10.079 5.886 1.00 0.92 C ATOM 2368 C LEU A 149 -7.628 -8.999 6.265 1.00 1.00 C ATOM 2369 O LEU A 149 -8.745 -9.334 6.657 1.00 1.06 O ATOM 2370 CB LEU A 149 -5.905 -10.552 7.139 1.00 0.92 C ATOM 2371 CG LEU A 149 -5.334 -11.956 6.922 1.00 0.89 C ATOM 2372 CD1 LEU A 149 -4.065 -12.092 7.760 1.00 1.04 C ATOM 2373 CD2 LEU A 149 -6.343 -13.014 7.372 1.00 1.18 C ATOM 0 H LEU A 149 -4.931 -9.042 5.303 1.00 0.91 H new ATOM 0 HA LEU A 149 -7.188 -10.907 5.440 1.00 0.92 H new ATOM 0 HB2 LEU A 149 -5.100 -9.858 7.382 1.00 0.92 H new ATOM 0 HB3 LEU A 149 -6.588 -10.557 7.988 1.00 0.92 H new ATOM 0 HG LEU A 149 -5.118 -12.102 5.864 1.00 0.89 H new ATOM 0 HD11 LEU A 149 -3.641 -13.086 7.620 1.00 1.04 H new ATOM 0 HD12 LEU A 149 -3.340 -11.341 7.446 1.00 1.04 H new ATOM 0 HD13 LEU A 149 -4.307 -11.946 8.813 1.00 1.04 H new ATOM 0 HD21 LEU A 149 -5.924 -14.008 7.212 1.00 1.18 H new ATOM 0 HD22 LEU A 149 -6.564 -12.879 8.431 1.00 1.18 H new ATOM 0 HD23 LEU A 149 -7.261 -12.910 6.794 1.00 1.18 H new ATOM 2385 N LYS A 150 -7.199 -7.734 6.214 1.00 1.00 N ATOM 2386 CA LYS A 150 -7.998 -6.598 6.612 1.00 0.97 C ATOM 2387 C LYS A 150 -7.724 -5.388 5.706 1.00 1.00 C ATOM 2388 O LYS A 150 -6.578 -5.185 5.291 1.00 1.08 O ATOM 2389 CB LYS A 150 -7.662 -6.277 8.066 1.00 1.01 C ATOM 2390 CG LYS A 150 -7.929 -7.450 9.023 1.00 1.23 C ATOM 2391 CD LYS A 150 -8.123 -6.989 10.471 1.00 1.44 C ATOM 2392 CE LYS A 150 -6.934 -6.182 11.018 1.00 3.07 C ATOM 2393 NZ LYS A 150 -7.347 -5.269 12.100 1.00 3.87 N ATOM 0 H LYS A 150 -6.267 -7.479 5.887 1.00 1.00 H new ATOM 0 HA LYS A 150 -9.058 -6.834 6.515 1.00 0.97 H new ATOM 0 HB2 LYS A 150 -6.612 -5.992 8.135 1.00 1.01 H new ATOM 0 HB3 LYS A 150 -8.248 -5.415 8.386 1.00 1.01 H new ATOM 0 HG2 LYS A 150 -8.817 -7.989 8.694 1.00 1.23 H new ATOM 0 HG3 LYS A 150 -7.095 -8.151 8.976 1.00 1.23 H new ATOM 0 HD2 LYS A 150 -9.025 -6.381 10.533 1.00 1.44 H new ATOM 0 HD3 LYS A 150 -8.283 -7.862 11.104 1.00 1.44 H new ATOM 0 HE2 LYS A 150 -6.171 -6.865 11.390 1.00 3.07 H new ATOM 0 HE3 LYS A 150 -6.481 -5.608 10.210 1.00 3.07 H new ATOM 0 HZ1 LYS A 150 -6.530 -4.705 12.409 1.00 3.87 H new ATOM 0 HZ2 LYS A 150 -8.094 -4.634 11.752 1.00 3.87 H new ATOM 0 HZ3 LYS A 150 -7.709 -5.823 12.902 1.00 3.87 H new ATOM 2407 N ASP A 151 -8.773 -4.595 5.459 1.00 1.01 N ATOM 2408 CA ASP A 151 -8.823 -3.389 4.638 1.00 1.16 C ATOM 2409 C ASP A 151 -9.436 -2.272 5.493 1.00 1.31 C ATOM 2410 O ASP A 151 -10.286 -2.513 6.348 1.00 1.74 O ATOM 2411 CB ASP A 151 -9.694 -3.628 3.387 1.00 1.29 C ATOM 2412 CG ASP A 151 -8.907 -4.002 2.135 1.00 1.54 C ATOM 2413 OD1 ASP A 151 -8.034 -4.889 2.229 1.00 1.98 O ATOM 2414 OD2 ASP A 151 -9.214 -3.401 1.080 1.00 2.69 O ATOM 0 H ASP A 151 -9.685 -4.802 5.866 1.00 1.01 H new ATOM 0 HA ASP A 151 -7.821 -3.116 4.305 1.00 1.16 H new ATOM 0 HB2 ASP A 151 -10.409 -4.422 3.603 1.00 1.29 H new ATOM 0 HB3 ASP A 151 -10.271 -2.726 3.183 1.00 1.29 H new ATOM 2419 N TYR A 152 -9.027 -1.029 5.252 1.00 1.19 N ATOM 2420 CA TYR A 152 -9.496 0.160 5.947 1.00 1.20 C ATOM 2421 C TYR A 152 -9.276 1.321 4.992 1.00 1.26 C ATOM 2422 O TYR A 152 -8.340 1.265 4.204 1.00 1.19 O ATOM 2423 CB TYR A 152 -8.740 0.436 7.253 1.00 1.32 C ATOM 2424 CG TYR A 152 -8.814 -0.667 8.278 1.00 1.74 C ATOM 2425 CD1 TYR A 152 -9.990 -0.831 9.030 1.00 2.53 C ATOM 2426 CD2 TYR A 152 -7.753 -1.579 8.417 1.00 3.21 C ATOM 2427 CE1 TYR A 152 -10.139 -1.948 9.861 1.00 3.74 C ATOM 2428 CE2 TYR A 152 -7.879 -2.666 9.298 1.00 4.49 C ATOM 2429 CZ TYR A 152 -9.095 -2.877 9.967 1.00 4.54 C ATOM 2430 OH TYR A 152 -9.278 -3.995 10.720 1.00 6.08 O ATOM 0 H TYR A 152 -8.331 -0.817 4.537 1.00 1.19 H new ATOM 0 HA TYR A 152 -10.541 0.022 6.225 1.00 1.20 H new ATOM 0 HB2 TYR A 152 -7.692 0.622 7.016 1.00 1.32 H new ATOM 0 HB3 TYR A 152 -9.134 1.351 7.697 1.00 1.32 H new ATOM 0 HD1 TYR A 152 -10.778 -0.096 8.967 1.00 2.53 H new ATOM 0 HD2 TYR A 152 -6.845 -1.444 7.849 1.00 3.21 H new ATOM 0 HE1 TYR A 152 -11.053 -2.093 10.417 1.00 3.74 H new ATOM 0 HE2 TYR A 152 -7.046 -3.335 9.459 1.00 4.49 H new ATOM 0 HH TYR A 152 -10.187 -4.335 10.586 1.00 6.08 H new ATOM 2440 N ASN A 153 -10.073 2.382 5.049 1.00 1.46 N ATOM 2441 CA ASN A 153 -9.845 3.555 4.236 1.00 1.49 C ATOM 2442 C ASN A 153 -8.945 4.501 5.011 1.00 1.56 C ATOM 2443 O ASN A 153 -7.883 4.891 4.534 1.00 2.80 O ATOM 2444 CB ASN A 153 -11.168 4.228 3.864 1.00 1.50 C ATOM 2445 CG ASN A 153 -10.896 5.494 3.066 1.00 1.70 C ATOM 2446 OD1 ASN A 153 -11.420 6.548 3.396 1.00 2.63 O ATOM 2447 ND2 ASN A 153 -10.022 5.435 2.069 1.00 2.73 N ATOM 0 H ASN A 153 -10.888 2.447 5.658 1.00 1.46 H new ATOM 0 HA ASN A 153 -9.361 3.272 3.301 1.00 1.49 H new ATOM 0 HB2 ASN A 153 -11.783 3.544 3.279 1.00 1.50 H new ATOM 0 HB3 ASN A 153 -11.730 4.470 4.766 1.00 1.50 H new ATOM 0 HD21 ASN A 153 -9.773 6.282 1.558 1.00 2.73 H new ATOM 0 HD22 ASN A 153 -9.599 4.543 1.814 1.00 2.73 H new ATOM 2520 N PRO A 159 -14.000 1.886 7.112 1.00 1.73 N ATOM 2521 CA PRO A 159 -13.283 0.628 7.033 1.00 1.41 C ATOM 2522 C PRO A 159 -13.086 0.254 5.562 1.00 1.31 C ATOM 2523 O PRO A 159 -12.259 0.877 4.916 1.00 1.63 O ATOM 2524 CB PRO A 159 -14.100 -0.365 7.857 1.00 1.47 C ATOM 2525 CG PRO A 159 -15.535 0.152 7.717 1.00 1.34 C ATOM 2526 CD PRO A 159 -15.369 1.664 7.525 1.00 1.49 C ATOM 0 HA PRO A 159 -12.274 0.658 7.444 1.00 1.41 H new ATOM 0 HB2 PRO A 159 -14.000 -1.381 7.476 1.00 1.47 H new ATOM 0 HB3 PRO A 159 -13.779 -0.382 8.899 1.00 1.47 H new ATOM 0 HG2 PRO A 159 -16.042 -0.305 6.867 1.00 1.34 H new ATOM 0 HG3 PRO A 159 -16.129 -0.075 8.602 1.00 1.34 H new ATOM 0 HD2 PRO A 159 -16.065 2.037 6.773 1.00 1.49 H new ATOM 0 HD3 PRO A 159 -15.585 2.197 8.451 1.00 1.49 H new ATOM 2534 N TYR A 160 -13.892 -0.635 4.979 1.00 1.34 N ATOM 2535 CA TYR A 160 -13.599 -1.566 3.901 1.00 1.43 C ATOM 2536 C TYR A 160 -13.265 -2.978 4.355 1.00 1.55 C ATOM 2537 O TYR A 160 -13.566 -3.848 3.558 1.00 1.58 O ATOM 2538 CB TYR A 160 -12.492 -1.085 2.957 1.00 1.71 C ATOM 2539 CG TYR A 160 -12.828 0.081 2.048 1.00 2.02 C ATOM 2540 CD1 TYR A 160 -13.970 0.000 1.234 1.00 2.95 C ATOM 2541 CD2 TYR A 160 -11.866 1.073 1.784 1.00 2.80 C ATOM 2542 CE1 TYR A 160 -14.090 0.798 0.095 1.00 3.27 C ATOM 2543 CE2 TYR A 160 -12.043 1.951 0.698 1.00 3.21 C ATOM 2544 CZ TYR A 160 -13.138 1.797 -0.166 1.00 2.93 C ATOM 2545 OH TYR A 160 -13.235 2.552 -1.298 1.00 3.52 O ATOM 0 H TYR A 160 -14.861 -0.725 5.284 1.00 1.34 H new ATOM 0 HA TYR A 160 -14.545 -1.598 3.360 1.00 1.43 H new ATOM 0 HB2 TYR A 160 -11.628 -0.807 3.560 1.00 1.71 H new ATOM 0 HB3 TYR A 160 -12.188 -1.926 2.333 1.00 1.71 H new ATOM 0 HD1 TYR A 160 -14.763 -0.686 1.492 1.00 2.95 H new ATOM 0 HD2 TYR A 160 -10.993 1.161 2.414 1.00 2.80 H new ATOM 0 HE1 TYR A 160 -14.915 0.647 -0.586 1.00 3.27 H new ATOM 0 HE2 TYR A 160 -11.333 2.747 0.529 1.00 3.21 H new ATOM 0 HH TYR A 160 -12.498 3.197 -1.325 1.00 3.52 H new ATOM 2555 N ASP A 161 -12.903 -3.285 5.607 1.00 1.75 N ATOM 2556 CA ASP A 161 -12.904 -4.684 6.062 1.00 2.05 C ATOM 2557 C ASP A 161 -14.222 -5.352 5.662 1.00 1.74 C ATOM 2558 O ASP A 161 -14.243 -6.412 5.043 1.00 1.71 O ATOM 2559 CB ASP A 161 -12.809 -4.770 7.599 1.00 2.67 C ATOM 2560 CG ASP A 161 -11.428 -4.956 8.202 1.00 3.30 C ATOM 2561 OD1 ASP A 161 -10.476 -5.181 7.437 1.00 3.73 O ATOM 2562 OD2 ASP A 161 -11.343 -4.971 9.457 1.00 4.18 O ATOM 0 H ASP A 161 -12.612 -2.604 6.309 1.00 1.75 H new ATOM 0 HA ASP A 161 -12.046 -5.177 5.605 1.00 2.05 H new ATOM 0 HB2 ASP A 161 -13.239 -3.859 8.015 1.00 2.67 H new ATOM 0 HB3 ASP A 161 -13.436 -5.598 7.930 1.00 2.67 H new ATOM 2567 N ASP A 162 -15.306 -4.660 6.001 1.00 1.61 N ATOM 2568 CA ASP A 162 -16.682 -5.093 5.857 1.00 1.65 C ATOM 2569 C ASP A 162 -16.965 -5.289 4.372 1.00 1.27 C ATOM 2570 O ASP A 162 -16.916 -6.403 3.861 1.00 1.22 O ATOM 2571 CB ASP A 162 -17.573 -4.045 6.548 1.00 1.84 C ATOM 2572 CG ASP A 162 -19.016 -4.079 6.079 1.00 2.51 C ATOM 2573 OD1 ASP A 162 -19.787 -4.915 6.592 1.00 3.76 O ATOM 2574 OD2 ASP A 162 -19.304 -3.239 5.200 1.00 2.97 O ATOM 0 H ASP A 162 -15.237 -3.727 6.407 1.00 1.61 H new ATOM 0 HA ASP A 162 -16.890 -6.050 6.336 1.00 1.65 H new ATOM 0 HB2 ASP A 162 -17.545 -4.208 7.625 1.00 1.84 H new ATOM 0 HB3 ASP A 162 -17.162 -3.052 6.365 1.00 1.84 H new ATOM 2579 N ILE A 163 -17.190 -4.174 3.683 1.00 1.20 N ATOM 2580 CA ILE A 163 -17.364 -4.056 2.243 1.00 1.09 C ATOM 2581 C ILE A 163 -16.500 -5.068 1.472 1.00 0.96 C ATOM 2582 O ILE A 163 -17.021 -5.901 0.732 1.00 1.00 O ATOM 2583 CB ILE A 163 -17.054 -2.614 1.809 1.00 1.17 C ATOM 2584 CG1 ILE A 163 -17.802 -1.566 2.653 1.00 1.31 C ATOM 2585 CG2 ILE A 163 -17.411 -2.415 0.327 1.00 1.46 C ATOM 2586 CD1 ILE A 163 -16.909 -0.896 3.711 1.00 1.35 C ATOM 0 H ILE A 163 -17.260 -3.270 4.150 1.00 1.20 H new ATOM 0 HA ILE A 163 -18.401 -4.289 2.001 1.00 1.09 H new ATOM 0 HB ILE A 163 -15.985 -2.466 1.964 1.00 1.17 H new ATOM 0 HG12 ILE A 163 -18.210 -0.801 1.993 1.00 1.31 H new ATOM 0 HG13 ILE A 163 -18.647 -2.043 3.149 1.00 1.31 H new ATOM 0 HG21 ILE A 163 -17.186 -1.390 0.033 1.00 1.46 H new ATOM 0 HG22 ILE A 163 -16.827 -3.104 -0.284 1.00 1.46 H new ATOM 0 HG23 ILE A 163 -18.473 -2.610 0.179 1.00 1.46 H new ATOM 0 HD11 ILE A 163 -17.494 -0.168 4.273 1.00 1.35 H new ATOM 0 HD12 ILE A 163 -16.521 -1.653 4.392 1.00 1.35 H new ATOM 0 HD13 ILE A 163 -16.078 -0.391 3.219 1.00 1.35 H new ATOM 2598 N ILE A 164 -15.170 -4.996 1.596 1.00 1.01 N ATOM 2599 CA ILE A 164 -14.279 -5.856 0.843 1.00 1.13 C ATOM 2600 C ILE A 164 -14.482 -7.319 1.247 1.00 1.02 C ATOM 2601 O ILE A 164 -14.541 -8.157 0.354 1.00 0.99 O ATOM 2602 CB ILE A 164 -12.836 -5.331 0.942 1.00 1.46 C ATOM 2603 CG1 ILE A 164 -12.585 -4.153 -0.010 1.00 1.75 C ATOM 2604 CG2 ILE A 164 -11.780 -6.392 0.639 1.00 1.70 C ATOM 2605 CD1 ILE A 164 -13.689 -3.103 -0.106 1.00 1.73 C ATOM 0 H ILE A 164 -14.694 -4.343 2.218 1.00 1.01 H new ATOM 0 HA ILE A 164 -14.518 -5.830 -0.220 1.00 1.13 H new ATOM 0 HB ILE A 164 -12.738 -5.015 1.981 1.00 1.46 H new ATOM 0 HG12 ILE A 164 -11.667 -3.654 0.300 1.00 1.75 H new ATOM 0 HG13 ILE A 164 -12.408 -4.554 -1.008 1.00 1.75 H new ATOM 0 HG21 ILE A 164 -10.787 -5.952 0.727 1.00 1.70 H new ATOM 0 HG22 ILE A 164 -11.877 -7.215 1.347 1.00 1.70 H new ATOM 0 HG23 ILE A 164 -11.922 -6.767 -0.374 1.00 1.70 H new ATOM 0 HD11 ILE A 164 -13.391 -2.325 -0.809 1.00 1.73 H new ATOM 0 HD12 ILE A 164 -14.609 -3.573 -0.453 1.00 1.73 H new ATOM 0 HD13 ILE A 164 -13.856 -2.660 0.876 1.00 1.73 H new ATOM 2617 N SER A 165 -14.628 -7.655 2.536 1.00 1.14 N ATOM 2618 CA SER A 165 -14.938 -9.029 2.936 1.00 1.28 C ATOM 2619 C SER A 165 -16.216 -9.501 2.240 1.00 1.14 C ATOM 2620 O SER A 165 -16.221 -10.578 1.646 1.00 1.17 O ATOM 2621 CB SER A 165 -15.069 -9.158 4.460 1.00 1.69 C ATOM 2622 OG SER A 165 -15.243 -10.509 4.847 1.00 2.51 O ATOM 0 H SER A 165 -14.537 -6.999 3.311 1.00 1.14 H new ATOM 0 HA SER A 165 -14.110 -9.667 2.627 1.00 1.28 H new ATOM 0 HB2 SER A 165 -14.179 -8.751 4.940 1.00 1.69 H new ATOM 0 HB3 SER A 165 -15.916 -8.566 4.806 1.00 1.69 H new ATOM 0 HG SER A 165 -14.375 -10.895 5.087 1.00 2.51 H new ATOM 2628 N ASP A 166 -17.281 -8.690 2.273 1.00 1.14 N ATOM 2629 CA ASP A 166 -18.542 -9.031 1.617 1.00 1.29 C ATOM 2630 C ASP A 166 -18.311 -9.325 0.132 1.00 1.18 C ATOM 2631 O ASP A 166 -18.667 -10.385 -0.385 1.00 1.34 O ATOM 2632 CB ASP A 166 -19.562 -7.902 1.802 1.00 1.45 C ATOM 2633 CG ASP A 166 -20.830 -8.201 1.015 1.00 1.77 C ATOM 2634 OD1 ASP A 166 -21.689 -8.920 1.567 1.00 2.69 O ATOM 2635 OD2 ASP A 166 -20.905 -7.721 -0.137 1.00 2.30 O ATOM 0 H ASP A 166 -17.290 -7.789 2.751 1.00 1.14 H new ATOM 0 HA ASP A 166 -18.945 -9.932 2.080 1.00 1.29 H new ATOM 0 HB2 ASP A 166 -19.801 -7.788 2.859 1.00 1.45 H new ATOM 0 HB3 ASP A 166 -19.133 -6.957 1.468 1.00 1.45 H new ATOM 2640 N VAL A 167 -17.651 -8.394 -0.558 1.00 1.05 N ATOM 2641 CA VAL A 167 -17.335 -8.567 -1.961 1.00 1.20 C ATOM 2642 C VAL A 167 -16.482 -9.826 -2.166 1.00 1.07 C ATOM 2643 O VAL A 167 -16.696 -10.551 -3.134 1.00 1.27 O ATOM 2644 CB VAL A 167 -16.687 -7.284 -2.514 1.00 1.37 C ATOM 2645 CG1 VAL A 167 -16.240 -7.462 -3.968 1.00 1.72 C ATOM 2646 CG2 VAL A 167 -17.692 -6.122 -2.488 1.00 1.56 C ATOM 0 H VAL A 167 -17.328 -7.513 -0.159 1.00 1.05 H new ATOM 0 HA VAL A 167 -18.248 -8.726 -2.534 1.00 1.20 H new ATOM 0 HB VAL A 167 -15.824 -7.071 -1.882 1.00 1.37 H new ATOM 0 HG11 VAL A 167 -15.787 -6.537 -4.325 1.00 1.72 H new ATOM 0 HG12 VAL A 167 -15.511 -8.270 -4.028 1.00 1.72 H new ATOM 0 HG13 VAL A 167 -17.103 -7.706 -4.587 1.00 1.72 H new ATOM 0 HG21 VAL A 167 -17.219 -5.223 -2.882 1.00 1.56 H new ATOM 0 HG22 VAL A 167 -18.557 -6.375 -3.101 1.00 1.56 H new ATOM 0 HG23 VAL A 167 -18.014 -5.943 -1.462 1.00 1.56 H new ATOM 2656 N LYS A 168 -15.499 -10.107 -1.306 1.00 0.91 N ATOM 2657 CA LYS A 168 -14.620 -11.252 -1.467 1.00 0.94 C ATOM 2658 C LYS A 168 -15.380 -12.562 -1.268 1.00 0.90 C ATOM 2659 O LYS A 168 -15.175 -13.503 -2.040 1.00 0.93 O ATOM 2660 CB LYS A 168 -13.430 -11.177 -0.501 1.00 1.19 C ATOM 2661 CG LYS A 168 -12.309 -10.164 -0.802 1.00 1.81 C ATOM 2662 CD LYS A 168 -11.908 -10.035 -2.279 1.00 2.11 C ATOM 2663 CE LYS A 168 -12.677 -8.881 -2.940 1.00 2.59 C ATOM 2664 NZ LYS A 168 -12.545 -8.876 -4.410 1.00 3.39 N ATOM 0 H LYS A 168 -15.296 -9.543 -0.481 1.00 0.91 H new ATOM 0 HA LYS A 168 -14.237 -11.228 -2.487 1.00 0.94 H new ATOM 0 HB2 LYS A 168 -13.821 -10.955 0.492 1.00 1.19 H new ATOM 0 HB3 LYS A 168 -12.979 -12.168 -0.452 1.00 1.19 H new ATOM 0 HG2 LYS A 168 -12.624 -9.184 -0.443 1.00 1.81 H new ATOM 0 HG3 LYS A 168 -11.426 -10.445 -0.228 1.00 1.81 H new ATOM 0 HD2 LYS A 168 -10.835 -9.859 -2.358 1.00 2.11 H new ATOM 0 HD3 LYS A 168 -12.117 -10.968 -2.803 1.00 2.11 H new ATOM 0 HE2 LYS A 168 -13.732 -8.954 -2.674 1.00 2.59 H new ATOM 0 HE3 LYS A 168 -12.313 -7.933 -2.543 1.00 2.59 H new ATOM 0 HZ1 LYS A 168 -13.069 -8.068 -4.803 1.00 3.39 H new ATOM 0 HZ2 LYS A 168 -11.541 -8.796 -4.668 1.00 3.39 H new ATOM 0 HZ3 LYS A 168 -12.932 -9.760 -4.796 1.00 3.39 H new ATOM 2678 N SER A 169 -16.233 -12.633 -0.242 1.00 1.05 N ATOM 2679 CA SER A 169 -17.032 -13.811 0.035 1.00 1.35 C ATOM 2680 C SER A 169 -17.935 -14.084 -1.160 1.00 1.44 C ATOM 2681 O SER A 169 -17.821 -15.138 -1.788 1.00 1.58 O ATOM 2682 CB SER A 169 -17.783 -13.664 1.364 1.00 1.71 C ATOM 2683 OG SER A 169 -18.674 -12.575 1.310 1.00 2.65 O ATOM 0 H SER A 169 -16.383 -11.869 0.416 1.00 1.05 H new ATOM 0 HA SER A 169 -16.394 -14.685 0.166 1.00 1.35 H new ATOM 0 HB2 SER A 169 -18.332 -14.580 1.581 1.00 1.71 H new ATOM 0 HB3 SER A 169 -17.071 -13.519 2.177 1.00 1.71 H new ATOM 0 HG SER A 169 -18.166 -11.740 1.235 1.00 2.65 H new ATOM 2689 N ALA A 170 -18.761 -13.091 -1.500 1.00 1.52 N ATOM 2690 CA ALA A 170 -19.624 -13.100 -2.673 1.00 1.81 C ATOM 2691 C ALA A 170 -18.847 -13.501 -3.930 1.00 1.76 C ATOM 2692 O ALA A 170 -19.336 -14.294 -4.730 1.00 2.04 O ATOM 2693 CB ALA A 170 -20.267 -11.720 -2.847 1.00 1.98 C ATOM 0 H ALA A 170 -18.847 -12.237 -0.948 1.00 1.52 H new ATOM 0 HA ALA A 170 -20.408 -13.843 -2.524 1.00 1.81 H new ATOM 0 HB1 ALA A 170 -20.913 -11.728 -3.725 1.00 1.98 H new ATOM 0 HB2 ALA A 170 -20.859 -11.480 -1.964 1.00 1.98 H new ATOM 0 HB3 ALA A 170 -19.488 -10.969 -2.976 1.00 1.98 H new ATOM 2699 N SER A 171 -17.644 -12.945 -4.108 1.00 1.54 N ATOM 2700 CA SER A 171 -16.796 -13.230 -5.253 1.00 1.67 C ATOM 2701 C SER A 171 -16.445 -14.716 -5.326 1.00 1.59 C ATOM 2702 O SER A 171 -16.842 -15.379 -6.280 1.00 1.96 O ATOM 2703 CB SER A 171 -15.567 -12.310 -5.259 1.00 1.71 C ATOM 2704 OG SER A 171 -14.752 -12.500 -6.398 1.00 2.33 O ATOM 0 H SER A 171 -17.235 -12.280 -3.452 1.00 1.54 H new ATOM 0 HA SER A 171 -17.350 -13.011 -6.166 1.00 1.67 H new ATOM 0 HB2 SER A 171 -15.895 -11.271 -5.221 1.00 1.71 H new ATOM 0 HB3 SER A 171 -14.977 -12.491 -4.360 1.00 1.71 H new ATOM 0 HG SER A 171 -13.985 -11.891 -6.357 1.00 2.33 H new ATOM 2710 N THR A 172 -15.671 -15.235 -4.365 1.00 1.40 N ATOM 2711 CA THR A 172 -15.176 -16.607 -4.380 1.00 1.52 C ATOM 2712 C THR A 172 -14.295 -16.773 -3.150 1.00 1.33 C ATOM 2713 O THR A 172 -13.154 -17.230 -3.238 1.00 1.67 O ATOM 2714 CB THR A 172 -14.451 -16.947 -5.699 1.00 2.28 C ATOM 2715 OG1 THR A 172 -13.759 -18.180 -5.628 1.00 2.39 O ATOM 2716 CG2 THR A 172 -13.478 -15.849 -6.139 1.00 3.50 C ATOM 0 H THR A 172 -15.370 -14.704 -3.548 1.00 1.40 H new ATOM 0 HA THR A 172 -16.001 -17.318 -4.338 1.00 1.52 H new ATOM 0 HB THR A 172 -15.241 -17.027 -6.445 1.00 2.28 H new ATOM 0 HG1 THR A 172 -13.162 -18.176 -4.851 1.00 2.39 H new ATOM 0 HG21 THR A 172 -12.997 -16.142 -7.072 1.00 3.50 H new ATOM 0 HG22 THR A 172 -14.024 -14.918 -6.289 1.00 3.50 H new ATOM 0 HG23 THR A 172 -12.720 -15.705 -5.369 1.00 3.50 H new