USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 877 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 68 TYR OH : rot -145:sc= -0.0787 USER MOD Set 1.2: A 91 THR OG1 : rot -69:sc= 0.472 USER MOD Set 2.1: A 39 SER OG : rot -63:sc= -0.8 USER MOD Set 2.2: A 41 GLN : amide:sc= -0.532 K(o=-1.3,f=-2.4) USER MOD Single : A 8 THR OG1 : rot -154:sc= 0.582 USER MOD Single : A 10 THR OG1 : rot 167:sc= 2.15 USER MOD Single : A 11 SER OG : rot 120:sc= -0.134 USER MOD Single : A 12 SER OG : rot -131:sc= 1.27 USER MOD Single : A 15 THR OG1 : rot -119:sc= 0.286 USER MOD Single : A 18 HIS : no HD1:sc= -0.0311 X(o=-0.031,f=-0.0096) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 30 THR OG1 : rot -63:sc= 1.07 USER MOD Single : A 34 SER OG : rot 19:sc= 0.867 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -5.19! C(o=-5.2!,f=-3.9!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0871 USER MOD Single : A 51 GLN : amide:sc= -0.454 K(o=-0.45,f=-5.9!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.104 USER MOD Single : A 57 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0124) USER MOD Single : A 59 ASN : amide:sc= -3.08 X(o=-3.1,f=-3.5!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -41:sc= 0.00144 USER MOD Single : A 69 SER OG : rot 22:sc= 0.0189 USER MOD Single : A 71 GLN : amide:sc= -0.175 K(o=-0.17,f=-0.88) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -3.15 K(o=-3.2,f=-5.1!) USER MOD Single : A 76 SER OG : rot -30:sc= 0.966 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.00807 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 130:sc= -0.437 USER MOD Single : A 88 SER OG : rot 36:sc= 0.0824 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.336 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -0.814 K(o=-0.81,f=-0.23) USER MOD Single : A 107 LYS NZ :NH3+ -174:sc= -1.07 (180deg=-1.25) USER MOD Single : A 112 TYR OH : rot -91:sc= 0.432 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -130:sc= -0.205 USER MOD Single : A 118 THR OG1 : rot 173:sc= -0.974 USER MOD Single : A 120 TYR OH : rot 180:sc= -0.617 USER MOD Single : A 122 TYR OH : rot -69:sc= 0.0108 USER MOD Single : A 123 SER OG : rot 180:sc= -0.0105 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 99 N ALA A 7 -4.724 -10.500 -5.706 1.00 0.00 N ATOM 100 CA ALA A 7 -5.770 -9.485 -5.714 1.00 0.00 C ATOM 101 C ALA A 7 -5.335 -8.244 -4.942 1.00 0.00 C ATOM 102 O ALA A 7 -4.540 -8.327 -4.006 1.00 0.00 O ATOM 103 CB ALA A 7 -7.056 -10.049 -5.128 1.00 0.00 C ATOM 0 HA ALA A 7 -5.952 -9.193 -6.748 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.829 -9.281 -5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -7.383 -10.902 -5.722 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -6.878 -10.369 -4.101 1.00 0.00 H new ATOM 109 N THR A 8 -5.862 -7.090 -5.342 1.00 0.00 N ATOM 110 CA THR A 8 -5.526 -5.830 -4.691 1.00 0.00 C ATOM 111 C THR A 8 -6.772 -4.985 -4.453 1.00 0.00 C ATOM 112 O THR A 8 -7.767 -5.116 -5.166 1.00 0.00 O ATOM 113 CB THR A 8 -4.518 -5.017 -5.525 1.00 0.00 C ATOM 114 OG1 THR A 8 -5.213 -4.071 -6.345 1.00 0.00 O ATOM 115 CG2 THR A 8 -3.676 -5.933 -6.399 1.00 0.00 C ATOM 0 H THR A 8 -6.523 -7.003 -6.114 1.00 0.00 H new ATOM 0 HA THR A 8 -5.072 -6.081 -3.732 1.00 0.00 H new ATOM 0 HB THR A 8 -3.856 -4.487 -4.840 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.673 -3.865 -7.136 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.972 -5.336 -6.979 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.127 -6.633 -5.769 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.325 -6.487 -7.077 1.00 0.00 H new ATOM 123 N ALA A 9 -6.711 -4.116 -3.450 1.00 0.00 N ATOM 124 CA ALA A 9 -7.834 -3.246 -3.123 1.00 0.00 C ATOM 125 C ALA A 9 -7.350 -1.891 -2.619 1.00 0.00 C ATOM 126 O ALA A 9 -6.357 -1.803 -1.895 1.00 0.00 O ATOM 127 CB ALA A 9 -8.728 -3.909 -2.084 1.00 0.00 C ATOM 0 H ALA A 9 -5.895 -3.996 -2.849 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.411 -3.081 -4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.563 -3.249 -1.848 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.110 -4.850 -2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -8.152 -4.103 -1.179 1.00 0.00 H new ATOM 133 N THR A 10 -8.056 -0.833 -3.007 1.00 0.00 N ATOM 134 CA THR A 10 -7.698 0.518 -2.597 1.00 0.00 C ATOM 135 C THR A 10 -8.895 1.246 -1.997 1.00 0.00 C ATOM 136 O THR A 10 -10.023 0.755 -2.049 1.00 0.00 O ATOM 137 CB THR A 10 -7.154 1.339 -3.782 1.00 0.00 C ATOM 138 OG1 THR A 10 -8.228 2.021 -4.439 1.00 0.00 O ATOM 139 CG2 THR A 10 -6.433 0.441 -4.777 1.00 0.00 C ATOM 0 H THR A 10 -8.880 -0.887 -3.606 1.00 0.00 H new ATOM 0 HA THR A 10 -6.918 0.423 -1.842 1.00 0.00 H new ATOM 0 HB THR A 10 -6.443 2.069 -3.394 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.863 2.695 -5.049 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.058 1.043 -5.605 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.598 -0.055 -4.281 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.126 -0.309 -5.159 1.00 0.00 H new ATOM 147 N SER A 11 -8.642 2.419 -1.426 1.00 0.00 N ATOM 148 CA SER A 11 -9.700 3.214 -0.812 1.00 0.00 C ATOM 149 C SER A 11 -10.353 4.135 -1.839 1.00 0.00 C ATOM 150 O SER A 11 -11.577 4.262 -1.885 1.00 0.00 O ATOM 151 CB SER A 11 -9.139 4.040 0.347 1.00 0.00 C ATOM 152 OG SER A 11 -8.695 5.310 -0.100 1.00 0.00 O ATOM 0 H SER A 11 -7.714 2.840 -1.375 1.00 0.00 H new ATOM 0 HA SER A 11 -10.458 2.531 -0.428 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.906 4.168 1.111 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.311 3.505 0.812 1.00 0.00 H new ATOM 0 HG SER A 11 -9.196 6.013 0.363 1.00 0.00 H new ATOM 158 N SER A 12 -9.527 4.776 -2.659 1.00 0.00 N ATOM 159 CA SER A 12 -10.023 5.688 -3.683 1.00 0.00 C ATOM 160 C SER A 12 -9.623 5.210 -5.076 1.00 0.00 C ATOM 161 O SER A 12 -8.680 4.434 -5.231 1.00 0.00 O ATOM 162 CB SER A 12 -9.484 7.100 -3.443 1.00 0.00 C ATOM 163 OG SER A 12 -10.541 8.015 -3.206 1.00 0.00 O ATOM 0 H SER A 12 -8.512 4.681 -2.634 1.00 0.00 H new ATOM 0 HA SER A 12 -11.111 5.706 -3.622 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.806 7.094 -2.590 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.905 7.424 -4.308 1.00 0.00 H new ATOM 0 HG SER A 12 -10.425 8.803 -3.777 1.00 0.00 H new ATOM 169 N ILE A 13 -10.347 5.680 -6.086 1.00 0.00 N ATOM 170 CA ILE A 13 -10.069 5.303 -7.466 1.00 0.00 C ATOM 171 C ILE A 13 -10.925 6.106 -8.439 1.00 0.00 C ATOM 172 O ILE A 13 -12.050 6.489 -8.122 1.00 0.00 O ATOM 173 CB ILE A 13 -10.319 3.801 -7.700 1.00 0.00 C ATOM 174 CG1 ILE A 13 -9.739 3.369 -9.048 1.00 0.00 C ATOM 175 CG2 ILE A 13 -11.808 3.495 -7.635 1.00 0.00 C ATOM 176 CD1 ILE A 13 -9.939 1.900 -9.349 1.00 0.00 C ATOM 0 H ILE A 13 -11.131 6.323 -5.974 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.016 5.521 -7.646 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.818 3.238 -6.913 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -10.201 3.960 -9.839 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.672 3.593 -9.064 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.968 2.430 -7.802 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -12.193 3.770 -6.653 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.331 4.065 -8.403 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.503 1.665 -10.320 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.453 1.301 -8.579 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.005 1.674 -9.366 1.00 0.00 H new ATOM 188 N GLU A 14 -10.382 6.357 -9.627 1.00 0.00 N ATOM 189 CA GLU A 14 -11.096 7.116 -10.648 1.00 0.00 C ATOM 190 C GLU A 14 -12.296 6.329 -11.170 1.00 0.00 C ATOM 191 O GLU A 14 -13.445 6.732 -10.988 1.00 0.00 O ATOM 192 CB GLU A 14 -10.159 7.466 -11.805 1.00 0.00 C ATOM 193 CG GLU A 14 -9.147 8.547 -11.463 1.00 0.00 C ATOM 194 CD GLU A 14 -9.098 9.650 -12.502 1.00 0.00 C ATOM 195 OE1 GLU A 14 -8.546 9.410 -13.596 1.00 0.00 O ATOM 196 OE2 GLU A 14 -9.613 10.752 -12.221 1.00 0.00 O ATOM 0 H GLU A 14 -9.451 6.046 -9.906 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.457 8.038 -10.193 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.627 6.567 -12.115 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.754 7.794 -12.657 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.395 8.978 -10.493 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.159 8.097 -11.369 1.00 0.00 H new ATOM 203 N THR A 15 -12.019 5.203 -11.821 1.00 0.00 N ATOM 204 CA THR A 15 -13.072 4.360 -12.371 1.00 0.00 C ATOM 205 C THR A 15 -13.855 3.664 -11.263 1.00 0.00 C ATOM 206 O THR A 15 -13.703 3.987 -10.086 1.00 0.00 O ATOM 207 CB THR A 15 -12.499 3.296 -13.325 1.00 0.00 C ATOM 208 OG1 THR A 15 -13.556 2.700 -14.086 1.00 0.00 O ATOM 209 CG2 THR A 15 -11.754 2.219 -12.551 1.00 0.00 C ATOM 0 H THR A 15 -11.074 4.854 -11.980 1.00 0.00 H new ATOM 0 HA THR A 15 -13.741 5.015 -12.929 1.00 0.00 H new ATOM 0 HB THR A 15 -11.797 3.786 -14.000 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.593 1.739 -13.898 1.00 0.00 H new ATOM 0 HG21 THR A 15 -11.358 1.479 -13.247 1.00 0.00 H new ATOM 0 HG22 THR A 15 -10.932 2.672 -11.997 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.437 1.733 -11.854 1.00 0.00 H new ATOM 217 N ALA A 16 -14.693 2.707 -11.649 1.00 0.00 N ATOM 218 CA ALA A 16 -15.497 1.962 -10.687 1.00 0.00 C ATOM 219 C ALA A 16 -14.787 0.686 -10.250 1.00 0.00 C ATOM 220 O ALA A 16 -15.382 -0.390 -10.228 1.00 0.00 O ATOM 221 CB ALA A 16 -16.859 1.635 -11.281 1.00 0.00 C ATOM 0 H ALA A 16 -14.833 2.429 -12.621 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.638 2.587 -9.805 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.449 1.079 -10.553 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -17.376 2.560 -11.537 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -16.729 1.032 -12.179 1.00 0.00 H new ATOM 227 N GLY A 17 -13.510 0.814 -9.901 1.00 0.00 N ATOM 228 CA GLY A 17 -12.741 -0.339 -9.469 1.00 0.00 C ATOM 229 C GLY A 17 -12.195 -1.141 -10.633 1.00 0.00 C ATOM 230 O GLY A 17 -12.931 -1.882 -11.285 1.00 0.00 O ATOM 0 H GLY A 17 -12.995 1.694 -9.910 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.914 -0.006 -8.842 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -13.370 -0.981 -8.853 1.00 0.00 H new ATOM 234 N HIS A 18 -10.901 -0.992 -10.898 1.00 0.00 N ATOM 235 CA HIS A 18 -10.256 -1.708 -11.993 1.00 0.00 C ATOM 236 C HIS A 18 -8.787 -1.316 -12.109 1.00 0.00 C ATOM 237 O HIS A 18 -7.952 -2.119 -12.522 1.00 0.00 O ATOM 238 CB HIS A 18 -10.978 -1.422 -13.310 1.00 0.00 C ATOM 239 CG HIS A 18 -11.585 -2.640 -13.937 1.00 0.00 C ATOM 240 ND1 HIS A 18 -12.911 -2.712 -14.312 1.00 0.00 N ATOM 241 CD2 HIS A 18 -11.040 -3.837 -14.256 1.00 0.00 C ATOM 242 CE1 HIS A 18 -13.154 -3.902 -14.833 1.00 0.00 C ATOM 243 NE2 HIS A 18 -12.034 -4.603 -14.811 1.00 0.00 N ATOM 0 H HIS A 18 -10.278 -0.382 -10.369 1.00 0.00 H new ATOM 0 HA HIS A 18 -10.312 -2.775 -11.780 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.762 -0.686 -13.133 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -10.274 -0.975 -14.011 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -10.013 -4.134 -14.102 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -14.106 -4.243 -15.212 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.926 -5.558 -15.151 1.00 0.00 H new ATOM 251 N GLU A 19 -8.479 -0.076 -11.742 1.00 0.00 N ATOM 252 CA GLU A 19 -7.110 0.422 -11.807 1.00 0.00 C ATOM 253 C GLU A 19 -6.216 -0.317 -10.817 1.00 0.00 C ATOM 254 O GLU A 19 -5.000 -0.387 -10.994 1.00 0.00 O ATOM 255 CB GLU A 19 -7.077 1.925 -11.519 1.00 0.00 C ATOM 256 CG GLU A 19 -6.882 2.778 -12.762 1.00 0.00 C ATOM 257 CD GLU A 19 -8.120 2.825 -13.637 1.00 0.00 C ATOM 258 OE1 GLU A 19 -8.999 3.672 -13.375 1.00 0.00 O ATOM 259 OE2 GLU A 19 -8.210 2.014 -14.581 1.00 0.00 O ATOM 0 H GLU A 19 -9.159 0.602 -11.397 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.732 0.244 -12.814 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.009 2.214 -11.033 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.272 2.134 -10.815 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.613 3.792 -12.464 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.047 2.384 -13.341 1.00 0.00 H new ATOM 266 N GLY A 20 -6.827 -0.868 -9.772 1.00 0.00 N ATOM 267 CA GLY A 20 -6.071 -1.593 -8.768 1.00 0.00 C ATOM 268 C GLY A 20 -5.302 -2.761 -9.353 1.00 0.00 C ATOM 269 O GLY A 20 -4.217 -3.098 -8.879 1.00 0.00 O ATOM 0 H GLY A 20 -7.832 -0.825 -9.603 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.375 -0.911 -8.280 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.751 -1.959 -7.999 1.00 0.00 H new ATOM 273 N ASP A 21 -5.866 -3.381 -10.384 1.00 0.00 N ATOM 274 CA ASP A 21 -5.225 -4.519 -11.035 1.00 0.00 C ATOM 275 C ASP A 21 -4.088 -4.058 -11.941 1.00 0.00 C ATOM 276 O ASP A 21 -3.370 -4.874 -12.517 1.00 0.00 O ATOM 277 CB ASP A 21 -6.250 -5.312 -11.846 1.00 0.00 C ATOM 278 CG ASP A 21 -7.322 -5.936 -10.973 1.00 0.00 C ATOM 279 OD1 ASP A 21 -6.982 -6.428 -9.877 1.00 0.00 O ATOM 280 OD2 ASP A 21 -8.501 -5.934 -11.387 1.00 0.00 O ATOM 0 H ASP A 21 -6.765 -3.115 -10.787 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.809 -5.163 -10.260 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.719 -4.653 -12.577 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.739 -6.096 -12.405 1.00 0.00 H new ATOM 285 N LYS A 22 -3.930 -2.744 -12.061 1.00 0.00 N ATOM 286 CA LYS A 22 -2.880 -2.172 -12.897 1.00 0.00 C ATOM 287 C LYS A 22 -1.527 -2.249 -12.197 1.00 0.00 C ATOM 288 O LYS A 22 -0.499 -1.894 -12.773 1.00 0.00 O ATOM 289 CB LYS A 22 -3.208 -0.718 -13.239 1.00 0.00 C ATOM 290 CG LYS A 22 -2.772 -0.309 -14.635 1.00 0.00 C ATOM 291 CD LYS A 22 -2.829 1.199 -14.818 1.00 0.00 C ATOM 292 CE LYS A 22 -3.713 1.585 -15.993 1.00 0.00 C ATOM 293 NZ LYS A 22 -3.147 2.728 -16.762 1.00 0.00 N ATOM 0 H LYS A 22 -4.516 -2.055 -11.590 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.826 -2.751 -13.819 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.283 -0.565 -13.144 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.727 -0.065 -12.511 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.756 -0.660 -14.818 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.413 -0.790 -15.373 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.209 1.663 -13.908 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.822 1.586 -14.976 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.833 0.727 -16.654 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.706 1.849 -15.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.779 2.960 -17.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.056 3.555 -16.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.210 2.468 -17.131 1.00 0.00 H new ATOM 307 N ALA A 23 -1.534 -2.717 -10.953 1.00 0.00 N ATOM 308 CA ALA A 23 -0.307 -2.844 -10.177 1.00 0.00 C ATOM 309 C ALA A 23 0.374 -4.183 -10.442 1.00 0.00 C ATOM 310 O ALA A 23 1.360 -4.529 -9.790 1.00 0.00 O ATOM 311 CB ALA A 23 -0.601 -2.682 -8.694 1.00 0.00 C ATOM 0 H ALA A 23 -2.377 -3.015 -10.461 1.00 0.00 H new ATOM 0 HA ALA A 23 0.374 -2.052 -10.488 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.325 -2.779 -8.127 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.035 -1.698 -8.514 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.304 -3.452 -8.376 1.00 0.00 H new ATOM 317 N VAL A 24 -0.159 -4.933 -11.400 1.00 0.00 N ATOM 318 CA VAL A 24 0.397 -6.235 -11.750 1.00 0.00 C ATOM 319 C VAL A 24 1.906 -6.152 -11.952 1.00 0.00 C ATOM 320 O VAL A 24 2.631 -7.112 -11.690 1.00 0.00 O ATOM 321 CB VAL A 24 -0.251 -6.797 -13.029 1.00 0.00 C ATOM 322 CG1 VAL A 24 0.538 -7.990 -13.548 1.00 0.00 C ATOM 323 CG2 VAL A 24 -1.700 -7.178 -12.770 1.00 0.00 C ATOM 0 H VAL A 24 -0.975 -4.662 -11.948 1.00 0.00 H new ATOM 0 HA VAL A 24 0.181 -6.905 -10.918 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.235 -6.021 -13.794 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.065 -8.374 -14.452 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.558 -7.680 -13.775 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.557 -8.772 -12.789 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.141 -7.573 -13.685 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.743 -7.937 -11.989 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.256 -6.297 -12.450 1.00 0.00 H new ATOM 333 N ASP A 25 2.372 -4.998 -12.418 1.00 0.00 N ATOM 334 CA ASP A 25 3.796 -4.788 -12.653 1.00 0.00 C ATOM 335 C ASP A 25 4.494 -4.321 -11.380 1.00 0.00 C ATOM 336 O ASP A 25 5.645 -4.675 -11.126 1.00 0.00 O ATOM 337 CB ASP A 25 4.004 -3.763 -13.769 1.00 0.00 C ATOM 338 CG ASP A 25 4.908 -4.282 -14.870 1.00 0.00 C ATOM 339 OD1 ASP A 25 6.144 -4.205 -14.708 1.00 0.00 O ATOM 340 OD2 ASP A 25 4.380 -4.764 -15.893 1.00 0.00 O ATOM 0 H ASP A 25 1.785 -4.194 -12.640 1.00 0.00 H new ATOM 0 HA ASP A 25 4.233 -5.739 -12.957 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.038 -3.492 -14.194 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.434 -2.854 -13.348 1.00 0.00 H new ATOM 345 N GLY A 26 3.790 -3.524 -10.583 1.00 0.00 N ATOM 346 CA GLY A 26 4.359 -3.020 -9.347 1.00 0.00 C ATOM 347 C GLY A 26 5.553 -2.117 -9.583 1.00 0.00 C ATOM 348 O GLY A 26 6.307 -1.819 -8.659 1.00 0.00 O ATOM 0 H GLY A 26 2.835 -3.218 -10.771 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.595 -2.470 -8.797 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.661 -3.860 -8.721 1.00 0.00 H new ATOM 352 N ASN A 27 5.726 -1.681 -10.827 1.00 0.00 N ATOM 353 CA ASN A 27 6.839 -0.807 -11.183 1.00 0.00 C ATOM 354 C ASN A 27 6.340 0.447 -11.894 1.00 0.00 C ATOM 355 O ASN A 27 5.142 0.730 -11.908 1.00 0.00 O ATOM 356 CB ASN A 27 7.832 -1.552 -12.076 1.00 0.00 C ATOM 357 CG ASN A 27 9.251 -1.485 -11.545 1.00 0.00 C ATOM 358 OD1 ASN A 27 9.736 -0.416 -11.173 1.00 0.00 O ATOM 359 ND2 ASN A 27 9.923 -2.629 -11.506 1.00 0.00 N ATOM 0 H ASN A 27 5.110 -1.918 -11.605 1.00 0.00 H new ATOM 0 HA ASN A 27 7.341 -0.506 -10.264 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.528 -2.595 -12.161 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.802 -1.128 -13.080 1.00 0.00 H new ATOM 0 HD21 ASN A 27 10.881 -2.646 -11.157 1.00 0.00 H new ATOM 0 HD22 ASN A 27 9.481 -3.491 -11.825 1.00 0.00 H new ATOM 366 N ALA A 28 7.267 1.194 -12.483 1.00 0.00 N ATOM 367 CA ALA A 28 6.921 2.417 -13.199 1.00 0.00 C ATOM 368 C ALA A 28 5.959 2.129 -14.345 1.00 0.00 C ATOM 369 O ALA A 28 5.287 3.030 -14.846 1.00 0.00 O ATOM 370 CB ALA A 28 8.179 3.095 -13.721 1.00 0.00 C ATOM 0 H ALA A 28 8.263 0.975 -12.479 1.00 0.00 H new ATOM 0 HA ALA A 28 6.421 3.089 -12.501 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.907 4.006 -14.253 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.832 3.345 -12.884 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.701 2.420 -14.400 1.00 0.00 H new ATOM 376 N ALA A 29 5.896 0.867 -14.756 1.00 0.00 N ATOM 377 CA ALA A 29 5.014 0.460 -15.843 1.00 0.00 C ATOM 378 C ALA A 29 3.549 0.585 -15.437 1.00 0.00 C ATOM 379 O ALA A 29 2.653 0.548 -16.281 1.00 0.00 O ATOM 380 CB ALA A 29 5.324 -0.967 -16.270 1.00 0.00 C ATOM 0 H ALA A 29 6.446 0.108 -14.352 1.00 0.00 H new ATOM 0 HA ALA A 29 5.189 1.126 -16.688 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.657 -1.257 -17.082 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.358 -1.029 -16.610 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.179 -1.639 -15.424 1.00 0.00 H new ATOM 386 N THR A 30 3.310 0.733 -14.137 1.00 0.00 N ATOM 387 CA THR A 30 1.954 0.862 -13.619 1.00 0.00 C ATOM 388 C THR A 30 1.608 2.319 -13.340 1.00 0.00 C ATOM 389 O THR A 30 2.486 3.132 -13.049 1.00 0.00 O ATOM 390 CB THR A 30 1.767 0.045 -12.326 1.00 0.00 C ATOM 391 OG1 THR A 30 2.421 0.701 -11.233 1.00 0.00 O ATOM 392 CG2 THR A 30 2.325 -1.360 -12.488 1.00 0.00 C ATOM 0 H THR A 30 4.039 0.766 -13.424 1.00 0.00 H new ATOM 0 HA THR A 30 1.284 0.473 -14.386 1.00 0.00 H new ATOM 0 HB THR A 30 0.699 -0.027 -12.119 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.385 0.744 -11.406 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.181 -1.917 -11.562 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.805 -1.867 -13.301 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.389 -1.305 -12.717 1.00 0.00 H new ATOM 400 N ARG A 31 0.323 2.646 -13.430 1.00 0.00 N ATOM 401 CA ARG A 31 -0.139 4.007 -13.189 1.00 0.00 C ATOM 402 C ARG A 31 -1.391 4.010 -12.317 1.00 0.00 C ATOM 403 O ARG A 31 -2.513 4.011 -12.824 1.00 0.00 O ATOM 404 CB ARG A 31 -0.427 4.714 -14.515 1.00 0.00 C ATOM 405 CG ARG A 31 -0.598 6.218 -14.378 1.00 0.00 C ATOM 406 CD ARG A 31 -1.162 6.832 -15.650 1.00 0.00 C ATOM 407 NE ARG A 31 -2.291 7.718 -15.376 1.00 0.00 N ATOM 408 CZ ARG A 31 -3.494 7.286 -15.017 1.00 0.00 C ATOM 409 NH1 ARG A 31 -3.725 5.986 -14.889 1.00 0.00 N ATOM 410 NH2 ARG A 31 -4.471 8.154 -14.785 1.00 0.00 N ATOM 0 H ARG A 31 -0.417 1.986 -13.668 1.00 0.00 H new ATOM 0 HA ARG A 31 0.651 4.543 -12.663 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.388 4.511 -15.210 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.332 4.292 -14.953 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.263 6.435 -13.542 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.364 6.675 -14.147 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.378 7.391 -16.161 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.480 6.038 -16.326 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.147 8.724 -15.465 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.977 5.315 -15.067 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.650 5.657 -14.613 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.298 9.155 -14.882 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.395 7.821 -14.509 1.00 0.00 H new ATOM 424 N TRP A 32 -1.191 4.010 -11.003 1.00 0.00 N ATOM 425 CA TRP A 32 -2.303 4.010 -10.060 1.00 0.00 C ATOM 426 C TRP A 32 -2.755 5.435 -9.755 1.00 0.00 C ATOM 427 O TRP A 32 -1.934 6.319 -9.516 1.00 0.00 O ATOM 428 CB TRP A 32 -1.903 3.300 -8.766 1.00 0.00 C ATOM 429 CG TRP A 32 -2.874 3.518 -7.645 1.00 0.00 C ATOM 430 CD1 TRP A 32 -2.610 4.087 -6.432 1.00 0.00 C ATOM 431 CD2 TRP A 32 -4.261 3.167 -7.633 1.00 0.00 C ATOM 432 NE1 TRP A 32 -3.751 4.110 -5.667 1.00 0.00 N ATOM 433 CE2 TRP A 32 -4.778 3.553 -6.381 1.00 0.00 C ATOM 434 CE3 TRP A 32 -5.118 2.565 -8.559 1.00 0.00 C ATOM 435 CZ2 TRP A 32 -6.112 3.355 -6.034 1.00 0.00 C ATOM 436 CZ3 TRP A 32 -6.442 2.371 -8.213 1.00 0.00 C ATOM 437 CH2 TRP A 32 -6.928 2.765 -6.959 1.00 0.00 C ATOM 0 H TRP A 32 -0.269 4.010 -10.567 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.135 3.473 -10.516 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.815 2.231 -8.959 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -0.918 3.650 -8.457 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -1.647 4.463 -6.120 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -3.822 4.482 -4.720 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.752 2.257 -9.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -6.489 3.657 -5.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -7.113 1.908 -8.921 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -7.968 2.599 -6.718 1.00 0.00 H new ATOM 448 N ALA A 33 -4.067 5.648 -9.765 1.00 0.00 N ATOM 449 CA ALA A 33 -4.628 6.965 -9.486 1.00 0.00 C ATOM 450 C ALA A 33 -5.886 6.856 -8.631 1.00 0.00 C ATOM 451 O ALA A 33 -6.898 6.308 -9.067 1.00 0.00 O ATOM 452 CB ALA A 33 -4.933 7.694 -10.786 1.00 0.00 C ATOM 0 H ALA A 33 -4.761 4.927 -9.963 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.888 7.537 -8.926 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.351 8.676 -10.563 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.014 7.813 -11.361 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.652 7.117 -11.367 1.00 0.00 H new ATOM 458 N SER A 34 -5.814 7.381 -7.413 1.00 0.00 N ATOM 459 CA SER A 34 -6.947 7.338 -6.494 1.00 0.00 C ATOM 460 C SER A 34 -7.808 8.590 -6.636 1.00 0.00 C ATOM 461 O SER A 34 -7.296 9.689 -6.842 1.00 0.00 O ATOM 462 CB SER A 34 -6.456 7.204 -5.051 1.00 0.00 C ATOM 463 OG SER A 34 -6.654 5.887 -4.566 1.00 0.00 O ATOM 0 H SER A 34 -4.984 7.841 -7.039 1.00 0.00 H new ATOM 0 HA SER A 34 -7.555 6.469 -6.745 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.398 7.459 -4.998 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.987 7.913 -4.415 1.00 0.00 H new ATOM 0 HG SER A 34 -6.773 5.274 -5.322 1.00 0.00 H new ATOM 469 N ALA A 35 -9.121 8.413 -6.521 1.00 0.00 N ATOM 470 CA ALA A 35 -10.053 9.527 -6.635 1.00 0.00 C ATOM 471 C ALA A 35 -9.814 10.557 -5.537 1.00 0.00 C ATOM 472 O ALA A 35 -9.768 10.218 -4.354 1.00 0.00 O ATOM 473 CB ALA A 35 -11.487 9.021 -6.583 1.00 0.00 C ATOM 0 H ALA A 35 -9.562 7.509 -6.349 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.885 10.013 -7.596 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.173 9.863 -6.669 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -11.658 8.328 -7.406 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.658 8.509 -5.636 1.00 0.00 H new ATOM 479 N TYR A 36 -9.662 11.815 -5.935 1.00 0.00 N ATOM 480 CA TYR A 36 -9.424 12.895 -4.985 1.00 0.00 C ATOM 481 C TYR A 36 -10.505 12.922 -3.909 1.00 0.00 C ATOM 482 O TYR A 36 -11.697 12.866 -4.209 1.00 0.00 O ATOM 483 CB TYR A 36 -9.376 14.240 -5.710 1.00 0.00 C ATOM 484 CG TYR A 36 -10.406 14.372 -6.810 1.00 0.00 C ATOM 485 CD1 TYR A 36 -11.738 14.637 -6.514 1.00 0.00 C ATOM 486 CD2 TYR A 36 -10.047 14.229 -8.144 1.00 0.00 C ATOM 487 CE1 TYR A 36 -12.682 14.757 -7.516 1.00 0.00 C ATOM 488 CE2 TYR A 36 -10.985 14.349 -9.153 1.00 0.00 C ATOM 489 CZ TYR A 36 -12.300 14.613 -8.834 1.00 0.00 C ATOM 490 OH TYR A 36 -13.237 14.731 -9.834 1.00 0.00 O ATOM 0 H TYR A 36 -9.699 12.112 -6.910 1.00 0.00 H new ATOM 0 HA TYR A 36 -8.462 12.716 -4.504 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -9.527 15.040 -4.985 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.382 14.379 -6.136 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -12.040 14.751 -5.483 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.018 14.021 -8.398 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -13.713 14.962 -7.269 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -10.689 14.236 -10.186 1.00 0.00 H new ATOM 0 HH TYR A 36 -12.805 14.604 -10.704 1.00 0.00 H new ATOM 500 N GLY A 37 -10.079 13.009 -2.652 1.00 0.00 N ATOM 501 CA GLY A 37 -11.022 13.043 -1.550 1.00 0.00 C ATOM 502 C GLY A 37 -11.209 11.684 -0.904 1.00 0.00 C ATOM 503 O GLY A 37 -10.541 10.719 -1.272 1.00 0.00 O ATOM 0 H GLY A 37 -9.098 13.057 -2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.674 13.753 -0.800 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.984 13.406 -1.911 1.00 0.00 H new ATOM 507 N ALA A 38 -12.118 11.610 0.062 1.00 0.00 N ATOM 508 CA ALA A 38 -12.390 10.359 0.760 1.00 0.00 C ATOM 509 C ALA A 38 -11.192 9.927 1.599 1.00 0.00 C ATOM 510 O ALA A 38 -10.609 8.867 1.367 1.00 0.00 O ATOM 511 CB ALA A 38 -12.761 9.269 -0.236 1.00 0.00 C ATOM 0 H ALA A 38 -12.679 12.401 0.379 1.00 0.00 H new ATOM 0 HA ALA A 38 -13.232 10.522 1.433 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.961 8.341 0.299 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.651 9.569 -0.789 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -11.936 9.116 -0.932 1.00 0.00 H new ATOM 517 N SER A 39 -10.830 10.754 2.574 1.00 0.00 N ATOM 518 CA SER A 39 -9.699 10.459 3.446 1.00 0.00 C ATOM 519 C SER A 39 -10.176 9.976 4.812 1.00 0.00 C ATOM 520 O SER A 39 -11.319 10.198 5.212 1.00 0.00 O ATOM 521 CB SER A 39 -8.817 11.699 3.609 1.00 0.00 C ATOM 522 OG SER A 39 -9.148 12.690 2.652 1.00 0.00 O ATOM 0 H SER A 39 -11.303 11.634 2.780 1.00 0.00 H new ATOM 0 HA SER A 39 -9.114 9.664 2.984 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.937 12.105 4.614 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.769 11.420 3.501 1.00 0.00 H new ATOM 0 HG SER A 39 -8.975 12.345 1.751 1.00 0.00 H new ATOM 528 N PRO A 40 -9.279 9.301 5.546 1.00 0.00 N ATOM 529 CA PRO A 40 -7.916 9.031 5.080 1.00 0.00 C ATOM 530 C PRO A 40 -7.883 8.025 3.935 1.00 0.00 C ATOM 531 O PRO A 40 -8.878 7.355 3.658 1.00 0.00 O ATOM 532 CB PRO A 40 -7.225 8.456 6.319 1.00 0.00 C ATOM 533 CG PRO A 40 -8.329 7.874 7.132 1.00 0.00 C ATOM 534 CD PRO A 40 -9.528 8.748 6.888 1.00 0.00 C ATOM 0 HA PRO A 40 -7.436 9.926 4.684 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -6.491 7.697 6.047 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.693 9.231 6.871 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.530 6.844 6.837 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -8.067 7.857 8.190 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -10.456 8.176 6.921 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -9.611 9.535 7.638 1.00 0.00 H new ATOM 542 N GLN A 41 -6.734 7.923 3.276 1.00 0.00 N ATOM 543 CA GLN A 41 -6.573 6.998 2.161 1.00 0.00 C ATOM 544 C GLN A 41 -5.773 5.769 2.584 1.00 0.00 C ATOM 545 O GLN A 41 -4.916 5.848 3.464 1.00 0.00 O ATOM 546 CB GLN A 41 -5.879 7.693 0.989 1.00 0.00 C ATOM 547 CG GLN A 41 -6.820 8.519 0.127 1.00 0.00 C ATOM 548 CD GLN A 41 -7.010 9.927 0.655 1.00 0.00 C ATOM 549 OE1 GLN A 41 -8.136 10.371 0.886 1.00 0.00 O ATOM 550 NE2 GLN A 41 -5.907 10.641 0.850 1.00 0.00 N ATOM 0 H GLN A 41 -5.901 8.469 3.495 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.565 6.674 1.846 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.092 8.340 1.376 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.395 6.941 0.366 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.429 8.566 -0.889 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.788 8.021 0.073 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.994 10.235 0.646 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.973 11.595 1.204 1.00 0.00 H new ATOM 559 N TRP A 42 -6.060 4.636 1.952 1.00 0.00 N ATOM 560 CA TRP A 42 -5.368 3.392 2.265 1.00 0.00 C ATOM 561 C TRP A 42 -5.388 2.444 1.071 1.00 0.00 C ATOM 562 O TRP A 42 -6.135 2.651 0.114 1.00 0.00 O ATOM 563 CB TRP A 42 -6.010 2.716 3.477 1.00 0.00 C ATOM 564 CG TRP A 42 -7.057 1.709 3.112 1.00 0.00 C ATOM 565 CD1 TRP A 42 -6.852 0.407 2.750 1.00 0.00 C ATOM 566 CD2 TRP A 42 -8.472 1.921 3.069 1.00 0.00 C ATOM 567 NE1 TRP A 42 -8.054 -0.202 2.487 1.00 0.00 N ATOM 568 CE2 TRP A 42 -9.064 0.703 2.675 1.00 0.00 C ATOM 569 CE3 TRP A 42 -9.298 3.018 3.327 1.00 0.00 C ATOM 570 CZ2 TRP A 42 -10.441 0.558 2.534 1.00 0.00 C ATOM 571 CZ3 TRP A 42 -10.665 2.871 3.185 1.00 0.00 C ATOM 572 CH2 TRP A 42 -11.226 1.649 2.792 1.00 0.00 C ATOM 0 H TRP A 42 -6.766 4.554 1.221 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.331 3.632 2.499 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -5.233 2.225 4.064 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -6.457 3.479 4.115 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -5.887 -0.072 2.681 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.175 -1.173 2.198 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -8.876 3.964 3.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.875 -0.383 2.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.312 3.713 3.381 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.298 1.566 2.691 1.00 0.00 H new ATOM 583 N ILE A 43 -4.563 1.404 1.132 1.00 0.00 N ATOM 584 CA ILE A 43 -4.488 0.424 0.055 1.00 0.00 C ATOM 585 C ILE A 43 -3.646 -0.779 0.464 1.00 0.00 C ATOM 586 O ILE A 43 -2.584 -0.630 1.068 1.00 0.00 O ATOM 587 CB ILE A 43 -3.895 1.040 -1.226 1.00 0.00 C ATOM 588 CG1 ILE A 43 -4.081 0.087 -2.409 1.00 0.00 C ATOM 589 CG2 ILE A 43 -2.421 1.362 -1.025 1.00 0.00 C ATOM 590 CD1 ILE A 43 -3.439 0.579 -3.688 1.00 0.00 C ATOM 0 H ILE A 43 -3.937 1.218 1.916 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.508 0.098 -0.147 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.423 1.968 -1.444 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.661 -0.885 -2.152 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.147 -0.062 -2.581 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.016 1.797 -1.939 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.312 2.073 -0.206 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.878 0.447 -0.786 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.611 -0.146 -4.484 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.876 1.537 -3.969 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.367 0.701 -3.533 1.00 0.00 H new ATOM 602 N TYR A 44 -4.127 -1.972 0.130 1.00 0.00 N ATOM 603 CA TYR A 44 -3.419 -3.202 0.464 1.00 0.00 C ATOM 604 C TYR A 44 -3.312 -4.116 -0.752 1.00 0.00 C ATOM 605 O TYR A 44 -4.168 -4.094 -1.636 1.00 0.00 O ATOM 606 CB TYR A 44 -4.132 -3.933 1.604 1.00 0.00 C ATOM 607 CG TYR A 44 -5.468 -4.520 1.203 1.00 0.00 C ATOM 608 CD1 TYR A 44 -5.544 -5.747 0.557 1.00 0.00 C ATOM 609 CD2 TYR A 44 -6.653 -3.847 1.473 1.00 0.00 C ATOM 610 CE1 TYR A 44 -6.761 -6.286 0.189 1.00 0.00 C ATOM 611 CE2 TYR A 44 -7.875 -4.379 1.111 1.00 0.00 C ATOM 612 CZ TYR A 44 -7.924 -5.599 0.469 1.00 0.00 C ATOM 613 OH TYR A 44 -9.139 -6.133 0.106 1.00 0.00 O ATOM 0 H TYR A 44 -5.004 -2.113 -0.372 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.412 -2.935 0.786 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.488 -4.732 1.971 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.282 -3.240 2.432 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -4.636 -6.289 0.339 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -6.618 -2.891 1.975 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.802 -7.240 -0.315 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.787 -3.843 1.329 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.858 -5.524 0.377 1.00 0.00 H new ATOM 623 N ILE A 45 -2.253 -4.918 -0.790 1.00 0.00 N ATOM 624 CA ILE A 45 -2.033 -5.841 -1.897 1.00 0.00 C ATOM 625 C ILE A 45 -1.865 -7.271 -1.395 1.00 0.00 C ATOM 626 O ILE A 45 -1.099 -7.528 -0.468 1.00 0.00 O ATOM 627 CB ILE A 45 -0.791 -5.448 -2.719 1.00 0.00 C ATOM 628 CG1 ILE A 45 -0.800 -3.946 -3.010 1.00 0.00 C ATOM 629 CG2 ILE A 45 -0.742 -6.243 -4.015 1.00 0.00 C ATOM 630 CD1 ILE A 45 0.276 -3.511 -3.980 1.00 0.00 C ATOM 0 H ILE A 45 -1.534 -4.947 -0.067 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.914 -5.784 -2.536 1.00 0.00 H new ATOM 0 HB ILE A 45 0.101 -5.681 -2.137 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.774 -3.668 -3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.675 -3.402 -2.074 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.141 -5.955 -4.586 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.695 -7.308 -3.787 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.637 -6.037 -4.602 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.209 -2.435 -4.139 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.256 -3.757 -3.571 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.140 -4.027 -4.930 1.00 0.00 H new ATOM 642 N ASN A 46 -2.586 -8.199 -2.017 1.00 0.00 N ATOM 643 CA ASN A 46 -2.515 -9.604 -1.633 1.00 0.00 C ATOM 644 C ASN A 46 -1.521 -10.358 -2.513 1.00 0.00 C ATOM 645 O ASN A 46 -1.710 -10.473 -3.724 1.00 0.00 O ATOM 646 CB ASN A 46 -3.897 -10.253 -1.736 1.00 0.00 C ATOM 647 CG ASN A 46 -5.014 -9.291 -1.377 1.00 0.00 C ATOM 648 OD1 ASN A 46 -4.858 -8.439 -0.503 1.00 0.00 O ATOM 649 ND2 ASN A 46 -6.150 -9.426 -2.052 1.00 0.00 N ATOM 0 H ASN A 46 -3.225 -8.003 -2.788 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.172 -9.656 -0.600 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.049 -10.620 -2.751 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.940 -11.118 -1.075 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.938 -8.809 -1.854 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.235 -10.147 -2.769 1.00 0.00 H new ATOM 656 N LEU A 47 -0.463 -10.870 -1.894 1.00 0.00 N ATOM 657 CA LEU A 47 0.561 -11.615 -2.619 1.00 0.00 C ATOM 658 C LEU A 47 0.066 -13.012 -2.980 1.00 0.00 C ATOM 659 O LEU A 47 -0.022 -13.366 -4.154 1.00 0.00 O ATOM 660 CB LEU A 47 1.837 -11.713 -1.781 1.00 0.00 C ATOM 661 CG LEU A 47 3.073 -12.253 -2.501 1.00 0.00 C ATOM 662 CD1 LEU A 47 3.558 -11.260 -3.545 1.00 0.00 C ATOM 663 CD2 LEU A 47 4.178 -12.564 -1.503 1.00 0.00 C ATOM 0 H LEU A 47 -0.292 -10.783 -0.892 1.00 0.00 H new ATOM 0 HA LEU A 47 0.781 -11.079 -3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.071 -10.721 -1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.635 -12.351 -0.921 1.00 0.00 H new ATOM 0 HG LEU A 47 2.800 -13.178 -3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.438 -11.661 -4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.769 -11.088 -4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.815 -10.318 -3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.050 -12.947 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.450 -11.655 -0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.827 -13.313 -0.793 1.00 0.00 H new ATOM 675 N GLY A 48 -0.258 -13.800 -1.959 1.00 0.00 N ATOM 676 CA GLY A 48 -0.743 -15.150 -2.189 1.00 0.00 C ATOM 677 C GLY A 48 -0.825 -15.962 -0.912 1.00 0.00 C ATOM 678 O GLY A 48 -1.878 -16.506 -0.582 1.00 0.00 O ATOM 0 H GLY A 48 -0.194 -13.529 -0.978 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.729 -15.105 -2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.083 -15.654 -2.895 1.00 0.00 H new ATOM 682 N SER A 49 0.290 -16.046 -0.193 1.00 0.00 N ATOM 683 CA SER A 49 0.341 -16.803 1.052 1.00 0.00 C ATOM 684 C SER A 49 1.374 -16.210 2.005 1.00 0.00 C ATOM 685 O SER A 49 2.065 -15.247 1.672 1.00 0.00 O ATOM 686 CB SER A 49 0.673 -18.270 0.769 1.00 0.00 C ATOM 687 OG SER A 49 1.930 -18.393 0.124 1.00 0.00 O ATOM 0 H SER A 49 1.170 -15.599 -0.451 1.00 0.00 H new ATOM 0 HA SER A 49 -0.640 -16.745 1.525 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.684 -18.831 1.704 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.105 -18.708 0.144 1.00 0.00 H new ATOM 0 HG SER A 49 2.120 -19.340 -0.044 1.00 0.00 H new ATOM 693 N THR A 50 1.475 -16.794 3.196 1.00 0.00 N ATOM 694 CA THR A 50 2.423 -16.325 4.199 1.00 0.00 C ATOM 695 C THR A 50 3.843 -16.310 3.650 1.00 0.00 C ATOM 696 O THR A 50 4.341 -17.326 3.163 1.00 0.00 O ATOM 697 CB THR A 50 2.382 -17.204 5.464 1.00 0.00 C ATOM 698 OG1 THR A 50 1.714 -18.439 5.181 1.00 0.00 O ATOM 699 CG2 THR A 50 1.671 -16.485 6.600 1.00 0.00 C ATOM 0 H THR A 50 0.912 -17.592 3.489 1.00 0.00 H new ATOM 0 HA THR A 50 2.129 -15.309 4.461 1.00 0.00 H new ATOM 0 HB THR A 50 3.408 -17.409 5.771 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.694 -18.993 5.989 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.655 -17.125 7.482 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.199 -15.560 6.833 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.649 -16.253 6.301 1.00 0.00 H new ATOM 707 N GLN A 51 4.492 -15.153 3.730 1.00 0.00 N ATOM 708 CA GLN A 51 5.858 -15.008 3.240 1.00 0.00 C ATOM 709 C GLN A 51 6.680 -14.124 4.172 1.00 0.00 C ATOM 710 O GLN A 51 6.153 -13.198 4.790 1.00 0.00 O ATOM 711 CB GLN A 51 5.855 -14.416 1.829 1.00 0.00 C ATOM 712 CG GLN A 51 5.707 -15.459 0.733 1.00 0.00 C ATOM 713 CD GLN A 51 6.791 -16.517 0.783 1.00 0.00 C ATOM 714 OE1 GLN A 51 7.947 -16.256 0.450 1.00 0.00 O ATOM 715 NE2 GLN A 51 6.422 -17.722 1.203 1.00 0.00 N ATOM 0 H GLN A 51 4.094 -14.303 4.129 1.00 0.00 H new ATOM 0 HA GLN A 51 6.314 -15.998 3.211 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.040 -13.697 1.747 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.783 -13.866 1.673 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.732 -15.939 0.823 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.731 -14.965 -0.239 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.453 -17.895 1.469 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.108 -18.475 1.259 1.00 0.00 H new ATOM 724 N SER A 52 7.973 -14.417 4.269 1.00 0.00 N ATOM 725 CA SER A 52 8.867 -13.652 5.130 1.00 0.00 C ATOM 726 C SER A 52 9.273 -12.340 4.463 1.00 0.00 C ATOM 727 O SER A 52 9.658 -12.320 3.294 1.00 0.00 O ATOM 728 CB SER A 52 10.113 -14.473 5.465 1.00 0.00 C ATOM 729 OG SER A 52 10.612 -14.142 6.750 1.00 0.00 O ATOM 0 H SER A 52 8.425 -15.178 3.762 1.00 0.00 H new ATOM 0 HA SER A 52 8.334 -13.421 6.052 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.873 -15.536 5.427 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.883 -14.293 4.715 1.00 0.00 H new ATOM 0 HG SER A 52 11.407 -14.682 6.941 1.00 0.00 H new ATOM 735 N ILE A 53 9.183 -11.249 5.215 1.00 0.00 N ATOM 736 CA ILE A 53 9.541 -9.934 4.699 1.00 0.00 C ATOM 737 C ILE A 53 10.645 -9.296 5.536 1.00 0.00 C ATOM 738 O ILE A 53 10.744 -9.539 6.739 1.00 0.00 O ATOM 739 CB ILE A 53 8.324 -8.990 4.669 1.00 0.00 C ATOM 740 CG1 ILE A 53 7.536 -9.097 5.975 1.00 0.00 C ATOM 741 CG2 ILE A 53 7.434 -9.312 3.478 1.00 0.00 C ATOM 742 CD1 ILE A 53 6.641 -7.906 6.241 1.00 0.00 C ATOM 0 H ILE A 53 8.865 -11.250 6.184 1.00 0.00 H new ATOM 0 HA ILE A 53 9.900 -10.082 3.681 1.00 0.00 H new ATOM 0 HB ILE A 53 8.680 -7.965 4.565 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.927 -10.000 5.949 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.235 -9.208 6.804 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.578 -8.637 3.470 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.002 -9.189 2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.083 -10.341 3.554 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.113 -8.051 7.184 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.247 -7.002 6.299 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.918 -7.807 5.432 1.00 0.00 H new ATOM 754 N SER A 54 11.471 -8.478 4.892 1.00 0.00 N ATOM 755 CA SER A 54 12.568 -7.805 5.578 1.00 0.00 C ATOM 756 C SER A 54 12.432 -6.290 5.466 1.00 0.00 C ATOM 757 O SER A 54 12.410 -5.582 6.473 1.00 0.00 O ATOM 758 CB SER A 54 13.911 -8.252 4.995 1.00 0.00 C ATOM 759 OG SER A 54 13.954 -8.043 3.595 1.00 0.00 O ATOM 0 H SER A 54 11.402 -8.265 3.897 1.00 0.00 H new ATOM 0 HA SER A 54 12.527 -8.078 6.632 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.720 -7.700 5.473 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.072 -9.308 5.213 1.00 0.00 H new ATOM 0 HG SER A 54 14.822 -8.335 3.247 1.00 0.00 H new ATOM 765 N ARG A 55 12.342 -5.800 4.234 1.00 0.00 N ATOM 766 CA ARG A 55 12.208 -4.369 3.989 1.00 0.00 C ATOM 767 C ARG A 55 11.444 -4.107 2.694 1.00 0.00 C ATOM 768 O ARG A 55 11.757 -4.680 1.650 1.00 0.00 O ATOM 769 CB ARG A 55 13.588 -3.711 3.921 1.00 0.00 C ATOM 770 CG ARG A 55 14.531 -4.373 2.930 1.00 0.00 C ATOM 771 CD ARG A 55 15.759 -4.942 3.623 1.00 0.00 C ATOM 772 NE ARG A 55 16.516 -5.835 2.750 1.00 0.00 N ATOM 773 CZ ARG A 55 17.611 -6.481 3.132 1.00 0.00 C ATOM 774 NH1 ARG A 55 18.076 -6.335 4.365 1.00 0.00 N ATOM 775 NH2 ARG A 55 18.245 -7.277 2.280 1.00 0.00 N ATOM 0 H ARG A 55 12.359 -6.373 3.390 1.00 0.00 H new ATOM 0 HA ARG A 55 11.645 -3.936 4.816 1.00 0.00 H new ATOM 0 HB2 ARG A 55 13.468 -2.662 3.650 1.00 0.00 H new ATOM 0 HB3 ARG A 55 14.041 -3.734 4.912 1.00 0.00 H new ATOM 0 HG2 ARG A 55 14.006 -5.171 2.404 1.00 0.00 H new ATOM 0 HG3 ARG A 55 14.840 -3.646 2.179 1.00 0.00 H new ATOM 0 HD2 ARG A 55 16.402 -4.125 3.950 1.00 0.00 H new ATOM 0 HD3 ARG A 55 15.452 -5.484 4.517 1.00 0.00 H new ATOM 0 HE ARG A 55 16.185 -5.970 1.795 1.00 0.00 H new ATOM 0 HH11 ARG A 55 17.592 -5.725 5.024 1.00 0.00 H new ATOM 0 HH12 ARG A 55 18.918 -6.833 4.655 1.00 0.00 H new ATOM 0 HH21 ARG A 55 17.891 -7.393 1.330 1.00 0.00 H new ATOM 0 HH22 ARG A 55 19.086 -7.773 2.575 1.00 0.00 H new ATOM 789 N VAL A 56 10.442 -3.238 2.770 1.00 0.00 N ATOM 790 CA VAL A 56 9.633 -2.900 1.605 1.00 0.00 C ATOM 791 C VAL A 56 9.665 -1.401 1.330 1.00 0.00 C ATOM 792 O VAL A 56 9.512 -0.588 2.242 1.00 0.00 O ATOM 793 CB VAL A 56 8.170 -3.347 1.787 1.00 0.00 C ATOM 794 CG1 VAL A 56 8.098 -4.843 2.051 1.00 0.00 C ATOM 795 CG2 VAL A 56 7.512 -2.566 2.914 1.00 0.00 C ATOM 0 H VAL A 56 10.171 -2.755 3.626 1.00 0.00 H new ATOM 0 HA VAL A 56 10.064 -3.431 0.756 1.00 0.00 H new ATOM 0 HB VAL A 56 7.627 -3.139 0.865 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.057 -5.141 2.177 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.530 -5.382 1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.655 -5.080 2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.479 -2.894 3.029 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.054 -2.741 3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.531 -1.502 2.678 1.00 0.00 H new ATOM 805 N LYS A 57 9.863 -1.040 0.067 1.00 0.00 N ATOM 806 CA LYS A 57 9.913 0.362 -0.330 1.00 0.00 C ATOM 807 C LYS A 57 8.773 0.697 -1.287 1.00 0.00 C ATOM 808 O LYS A 57 8.490 -0.056 -2.220 1.00 0.00 O ATOM 809 CB LYS A 57 11.257 0.679 -0.989 1.00 0.00 C ATOM 810 CG LYS A 57 11.457 -0.014 -2.326 1.00 0.00 C ATOM 811 CD LYS A 57 12.931 -0.204 -2.640 1.00 0.00 C ATOM 812 CE LYS A 57 13.133 -1.130 -3.830 1.00 0.00 C ATOM 813 NZ LYS A 57 12.559 -0.560 -5.080 1.00 0.00 N ATOM 0 H LYS A 57 9.992 -1.700 -0.700 1.00 0.00 H new ATOM 0 HA LYS A 57 9.802 0.972 0.566 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.337 1.757 -1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.061 0.387 -0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.959 -0.983 -2.312 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.989 0.574 -3.115 1.00 0.00 H new ATOM 0 HD2 LYS A 57 13.387 0.764 -2.849 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.440 -0.614 -1.768 1.00 0.00 H new ATOM 0 HE2 LYS A 57 14.198 -1.314 -3.970 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.668 -2.094 -3.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.776 -1.188 -5.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.528 -0.471 -4.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.972 0.378 -5.255 1.00 0.00 H new ATOM 827 N LEU A 58 8.123 1.831 -1.051 1.00 0.00 N ATOM 828 CA LEU A 58 7.014 2.267 -1.893 1.00 0.00 C ATOM 829 C LEU A 58 7.109 3.761 -2.188 1.00 0.00 C ATOM 830 O LEU A 58 7.772 4.505 -1.466 1.00 0.00 O ATOM 831 CB LEU A 58 5.679 1.954 -1.215 1.00 0.00 C ATOM 832 CG LEU A 58 5.226 2.938 -0.138 1.00 0.00 C ATOM 833 CD1 LEU A 58 3.708 3.027 -0.100 1.00 0.00 C ATOM 834 CD2 LEU A 58 5.772 2.528 1.222 1.00 0.00 C ATOM 0 H LEU A 58 8.344 2.465 -0.284 1.00 0.00 H new ATOM 0 HA LEU A 58 7.072 1.724 -2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.907 1.906 -1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.745 0.962 -0.768 1.00 0.00 H new ATOM 0 HG LEU A 58 5.621 3.924 -0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.404 3.733 0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.339 3.368 -1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.291 2.044 0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.439 3.240 1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.407 1.533 1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.861 2.517 1.188 1.00 0.00 H new ATOM 846 N ASN A 59 6.440 4.193 -3.252 1.00 0.00 N ATOM 847 CA ASN A 59 6.448 5.598 -3.642 1.00 0.00 C ATOM 848 C ASN A 59 5.099 6.250 -3.352 1.00 0.00 C ATOM 849 O ASN A 59 4.062 5.587 -3.364 1.00 0.00 O ATOM 850 CB ASN A 59 6.784 5.735 -5.128 1.00 0.00 C ATOM 851 CG ASN A 59 6.215 7.004 -5.734 1.00 0.00 C ATOM 852 OD1 ASN A 59 6.884 8.037 -5.782 1.00 0.00 O ATOM 853 ND2 ASN A 59 4.974 6.931 -6.202 1.00 0.00 N ATOM 0 H ASN A 59 5.885 3.590 -3.860 1.00 0.00 H new ATOM 0 HA ASN A 59 7.212 6.108 -3.055 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.867 5.728 -5.255 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.394 4.872 -5.667 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.538 7.752 -6.622 1.00 0.00 H new ATOM 0 HD22 ASN A 59 4.457 6.054 -6.141 1.00 0.00 H new ATOM 860 N TRP A 60 5.122 7.552 -3.093 1.00 0.00 N ATOM 861 CA TRP A 60 3.900 8.294 -2.800 1.00 0.00 C ATOM 862 C TRP A 60 3.523 9.203 -3.965 1.00 0.00 C ATOM 863 O TRP A 60 2.390 9.675 -4.054 1.00 0.00 O ATOM 864 CB TRP A 60 4.074 9.123 -1.527 1.00 0.00 C ATOM 865 CG TRP A 60 4.926 8.450 -0.492 1.00 0.00 C ATOM 866 CD1 TRP A 60 6.226 8.736 -0.188 1.00 0.00 C ATOM 867 CD2 TRP A 60 4.536 7.377 0.372 1.00 0.00 C ATOM 868 NE1 TRP A 60 6.668 7.906 0.813 1.00 0.00 N ATOM 869 CE2 TRP A 60 5.650 7.064 1.175 1.00 0.00 C ATOM 870 CE3 TRP A 60 3.353 6.653 0.547 1.00 0.00 C ATOM 871 CZ2 TRP A 60 5.614 6.056 2.136 1.00 0.00 C ATOM 872 CZ3 TRP A 60 3.320 5.653 1.501 1.00 0.00 C ATOM 873 CH2 TRP A 60 4.444 5.363 2.286 1.00 0.00 C ATOM 0 H TRP A 60 5.972 8.116 -3.080 1.00 0.00 H new ATOM 0 HA TRP A 60 3.095 7.574 -2.649 1.00 0.00 H new ATOM 0 HB2 TRP A 60 4.519 10.084 -1.785 1.00 0.00 H new ATOM 0 HB3 TRP A 60 3.093 9.331 -1.100 1.00 0.00 H new ATOM 0 HD1 TRP A 60 6.819 9.502 -0.665 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.603 7.915 1.221 1.00 0.00 H new ATOM 0 HE3 TRP A 60 2.481 6.871 -0.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 6.479 5.830 2.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 2.412 5.085 1.644 1.00 0.00 H new ATOM 0 HH2 TRP A 60 4.385 4.577 3.024 1.00 0.00 H new ATOM 884 N GLU A 61 4.481 9.444 -4.856 1.00 0.00 N ATOM 885 CA GLU A 61 4.247 10.298 -6.016 1.00 0.00 C ATOM 886 C GLU A 61 3.983 11.738 -5.586 1.00 0.00 C ATOM 887 O GLU A 61 4.262 12.120 -4.450 1.00 0.00 O ATOM 888 CB GLU A 61 3.066 9.772 -6.833 1.00 0.00 C ATOM 889 CG GLU A 61 3.327 9.741 -8.329 1.00 0.00 C ATOM 890 CD GLU A 61 4.605 9.005 -8.683 1.00 0.00 C ATOM 891 OE1 GLU A 61 4.565 7.759 -8.777 1.00 0.00 O ATOM 892 OE2 GLU A 61 5.644 9.672 -8.866 1.00 0.00 O ATOM 0 H GLU A 61 5.424 9.061 -4.797 1.00 0.00 H new ATOM 0 HA GLU A 61 5.144 10.281 -6.636 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.821 8.765 -6.495 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.194 10.396 -6.638 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.486 9.263 -8.831 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.384 10.762 -8.705 1.00 0.00 H new ATOM 899 N ASP A 62 3.443 12.533 -6.504 1.00 0.00 N ATOM 900 CA ASP A 62 3.140 13.931 -6.221 1.00 0.00 C ATOM 901 C ASP A 62 2.388 14.068 -4.900 1.00 0.00 C ATOM 902 O ASP A 62 2.562 15.047 -4.175 1.00 0.00 O ATOM 903 CB ASP A 62 2.313 14.535 -7.357 1.00 0.00 C ATOM 904 CG ASP A 62 3.064 15.620 -8.105 1.00 0.00 C ATOM 905 OD1 ASP A 62 3.485 16.604 -7.460 1.00 0.00 O ATOM 906 OD2 ASP A 62 3.232 15.485 -9.335 1.00 0.00 O ATOM 0 H ASP A 62 3.206 12.233 -7.450 1.00 0.00 H new ATOM 0 HA ASP A 62 4.083 14.472 -6.140 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.028 13.747 -8.054 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.390 14.950 -6.951 1.00 0.00 H new ATOM 911 N ALA A 63 1.553 13.080 -4.596 1.00 0.00 N ATOM 912 CA ALA A 63 0.776 13.091 -3.363 1.00 0.00 C ATOM 913 C ALA A 63 1.686 13.127 -2.140 1.00 0.00 C ATOM 914 O ALA A 63 2.147 12.089 -1.666 1.00 0.00 O ATOM 915 CB ALA A 63 -0.139 11.877 -3.305 1.00 0.00 C ATOM 0 H ALA A 63 1.397 12.263 -5.186 1.00 0.00 H new ATOM 0 HA ALA A 63 0.166 13.994 -3.356 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.713 11.898 -2.379 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.821 11.894 -4.155 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.461 10.967 -3.339 1.00 0.00 H new ATOM 921 N TYR A 64 1.941 14.329 -1.635 1.00 0.00 N ATOM 922 CA TYR A 64 2.800 14.501 -0.469 1.00 0.00 C ATOM 923 C TYR A 64 2.004 14.341 0.823 1.00 0.00 C ATOM 924 O TYR A 64 1.094 15.121 1.104 1.00 0.00 O ATOM 925 CB TYR A 64 3.470 15.875 -0.501 1.00 0.00 C ATOM 926 CG TYR A 64 4.383 16.132 0.677 1.00 0.00 C ATOM 927 CD1 TYR A 64 3.870 16.528 1.905 1.00 0.00 C ATOM 928 CD2 TYR A 64 5.759 15.978 0.560 1.00 0.00 C ATOM 929 CE1 TYR A 64 4.700 16.764 2.984 1.00 0.00 C ATOM 930 CE2 TYR A 64 6.597 16.210 1.634 1.00 0.00 C ATOM 931 CZ TYR A 64 6.064 16.604 2.843 1.00 0.00 C ATOM 932 OH TYR A 64 6.893 16.838 3.915 1.00 0.00 O ATOM 0 H TYR A 64 1.565 15.198 -2.014 1.00 0.00 H new ATOM 0 HA TYR A 64 3.569 13.729 -0.499 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.045 15.968 -1.422 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.699 16.645 -0.527 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.803 16.654 2.019 1.00 0.00 H new ATOM 0 HD2 TYR A 64 6.181 15.672 -0.386 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.284 17.072 3.932 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.664 16.083 1.527 1.00 0.00 H new ATOM 0 HH TYR A 64 7.823 16.679 3.650 1.00 0.00 H new ATOM 942 N ALA A 65 2.354 13.325 1.605 1.00 0.00 N ATOM 943 CA ALA A 65 1.675 13.064 2.867 1.00 0.00 C ATOM 944 C ALA A 65 2.555 13.443 4.053 1.00 0.00 C ATOM 945 O ALA A 65 3.782 13.370 3.977 1.00 0.00 O ATOM 946 CB ALA A 65 1.270 11.600 2.955 1.00 0.00 C ATOM 0 H ALA A 65 3.104 12.669 1.386 1.00 0.00 H new ATOM 0 HA ALA A 65 0.777 13.681 2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.764 11.419 3.903 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.597 11.359 2.132 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.159 10.972 2.893 1.00 0.00 H new ATOM 952 N THR A 66 1.922 13.849 5.148 1.00 0.00 N ATOM 953 CA THR A 66 2.648 14.241 6.350 1.00 0.00 C ATOM 954 C THR A 66 3.142 13.020 7.117 1.00 0.00 C ATOM 955 O THR A 66 4.048 13.120 7.944 1.00 0.00 O ATOM 956 CB THR A 66 1.771 15.099 7.282 1.00 0.00 C ATOM 957 OG1 THR A 66 2.598 15.881 8.151 1.00 0.00 O ATOM 958 CG2 THR A 66 0.844 14.222 8.110 1.00 0.00 C ATOM 0 H THR A 66 0.907 13.915 5.228 1.00 0.00 H new ATOM 0 HA THR A 66 3.504 14.832 6.023 1.00 0.00 H new ATOM 0 HB THR A 66 1.164 15.762 6.665 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.353 15.338 8.460 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.235 14.849 8.760 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.196 13.650 7.446 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.437 13.538 8.717 1.00 0.00 H new ATOM 966 N ALA A 67 2.542 11.868 6.837 1.00 0.00 N ATOM 967 CA ALA A 67 2.923 10.627 7.500 1.00 0.00 C ATOM 968 C ALA A 67 2.175 9.437 6.909 1.00 0.00 C ATOM 969 O ALA A 67 1.055 9.578 6.418 1.00 0.00 O ATOM 970 CB ALA A 67 2.664 10.726 8.996 1.00 0.00 C ATOM 0 H ALA A 67 1.790 11.768 6.155 1.00 0.00 H new ATOM 0 HA ALA A 67 3.989 10.470 7.337 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.953 9.792 9.478 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.249 11.546 9.413 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.604 10.911 9.170 1.00 0.00 H new ATOM 976 N TYR A 68 2.801 8.267 6.959 1.00 0.00 N ATOM 977 CA TYR A 68 2.196 7.053 6.425 1.00 0.00 C ATOM 978 C TYR A 68 2.423 5.873 7.365 1.00 0.00 C ATOM 979 O TYR A 68 3.181 5.970 8.330 1.00 0.00 O ATOM 980 CB TYR A 68 2.769 6.736 5.044 1.00 0.00 C ATOM 981 CG TYR A 68 4.246 7.034 4.918 1.00 0.00 C ATOM 982 CD1 TYR A 68 5.197 6.160 5.431 1.00 0.00 C ATOM 983 CD2 TYR A 68 4.692 8.190 4.288 1.00 0.00 C ATOM 984 CE1 TYR A 68 6.548 6.428 5.319 1.00 0.00 C ATOM 985 CE2 TYR A 68 6.040 8.465 4.171 1.00 0.00 C ATOM 986 CZ TYR A 68 6.964 7.581 4.688 1.00 0.00 C ATOM 987 OH TYR A 68 8.308 7.853 4.575 1.00 0.00 O ATOM 0 H TYR A 68 3.728 8.133 7.364 1.00 0.00 H new ATOM 0 HA TYR A 68 1.123 7.222 6.335 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.599 5.682 4.823 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.226 7.311 4.294 1.00 0.00 H new ATOM 0 HD1 TYR A 68 4.875 5.256 5.926 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.972 8.885 3.883 1.00 0.00 H new ATOM 0 HE1 TYR A 68 7.274 5.738 5.723 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.369 9.367 3.677 1.00 0.00 H new ATOM 0 HH TYR A 68 8.454 8.819 4.650 1.00 0.00 H new ATOM 997 N SER A 69 1.760 4.757 7.076 1.00 0.00 N ATOM 998 CA SER A 69 1.886 3.558 7.895 1.00 0.00 C ATOM 999 C SER A 69 1.887 2.304 7.026 1.00 0.00 C ATOM 1000 O SER A 69 1.123 2.199 6.067 1.00 0.00 O ATOM 1001 CB SER A 69 0.745 3.487 8.911 1.00 0.00 C ATOM 1002 OG SER A 69 1.017 4.295 10.043 1.00 0.00 O ATOM 0 H SER A 69 1.130 4.659 6.280 1.00 0.00 H new ATOM 0 HA SER A 69 2.835 3.610 8.428 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.184 3.813 8.443 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.598 2.454 9.225 1.00 0.00 H new ATOM 0 HG SER A 69 1.677 4.980 9.805 1.00 0.00 H new ATOM 1008 N ILE A 70 2.752 1.355 7.369 1.00 0.00 N ATOM 1009 CA ILE A 70 2.853 0.108 6.622 1.00 0.00 C ATOM 1010 C ILE A 70 2.634 -1.097 7.531 1.00 0.00 C ATOM 1011 O ILE A 70 3.277 -1.225 8.573 1.00 0.00 O ATOM 1012 CB ILE A 70 4.224 -0.027 5.933 1.00 0.00 C ATOM 1013 CG1 ILE A 70 4.145 -1.033 4.783 1.00 0.00 C ATOM 1014 CG2 ILE A 70 5.285 -0.446 6.940 1.00 0.00 C ATOM 1015 CD1 ILE A 70 4.386 -2.462 5.214 1.00 0.00 C ATOM 0 H ILE A 70 3.393 1.426 8.159 1.00 0.00 H new ATOM 0 HA ILE A 70 2.073 0.133 5.861 1.00 0.00 H new ATOM 0 HB ILE A 70 4.505 0.943 5.523 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.162 -0.963 4.317 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.878 -0.762 4.023 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.248 -0.537 6.437 1.00 0.00 H new ATOM 0 HG22 ILE A 70 5.356 0.305 7.727 1.00 0.00 H new ATOM 0 HG23 ILE A 70 5.012 -1.406 7.378 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.315 -3.120 4.348 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.380 -2.547 5.654 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.637 -2.751 5.952 1.00 0.00 H new ATOM 1027 N GLN A 71 1.724 -1.978 7.128 1.00 0.00 N ATOM 1028 CA GLN A 71 1.422 -3.173 7.906 1.00 0.00 C ATOM 1029 C GLN A 71 0.976 -4.315 6.999 1.00 0.00 C ATOM 1030 O GLN A 71 1.045 -4.212 5.774 1.00 0.00 O ATOM 1031 CB GLN A 71 0.335 -2.873 8.939 1.00 0.00 C ATOM 1032 CG GLN A 71 -0.553 -1.697 8.564 1.00 0.00 C ATOM 1033 CD GLN A 71 -1.737 -1.539 9.498 1.00 0.00 C ATOM 1034 OE1 GLN A 71 -1.874 -2.275 10.475 1.00 0.00 O ATOM 1035 NE2 GLN A 71 -2.601 -0.575 9.200 1.00 0.00 N ATOM 0 H GLN A 71 1.184 -1.887 6.268 1.00 0.00 H new ATOM 0 HA GLN A 71 2.331 -3.478 8.424 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.286 -3.759 9.069 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.806 -2.670 9.901 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.039 -0.782 8.575 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.915 -1.830 7.544 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.448 0.012 8.380 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.418 -0.421 9.791 1.00 0.00 H new ATOM 1044 N VAL A 72 0.520 -5.405 7.608 1.00 0.00 N ATOM 1045 CA VAL A 72 0.063 -6.567 6.855 1.00 0.00 C ATOM 1046 C VAL A 72 -1.259 -7.092 7.404 1.00 0.00 C ATOM 1047 O VAL A 72 -1.964 -6.390 8.130 1.00 0.00 O ATOM 1048 CB VAL A 72 1.105 -7.701 6.884 1.00 0.00 C ATOM 1049 CG1 VAL A 72 2.463 -7.191 6.429 1.00 0.00 C ATOM 1050 CG2 VAL A 72 1.193 -8.306 8.277 1.00 0.00 C ATOM 0 H VAL A 72 0.457 -5.508 8.621 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.078 -6.241 5.825 1.00 0.00 H new ATOM 0 HB VAL A 72 0.787 -8.481 6.192 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.186 -8.006 6.456 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.386 -6.809 5.411 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.793 -6.392 7.093 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.934 -9.106 8.280 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.487 -7.536 8.990 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.221 -8.710 8.560 1.00 0.00 H new ATOM 1060 N SER A 73 -1.590 -8.330 7.052 1.00 0.00 N ATOM 1061 CA SER A 73 -2.830 -8.948 7.507 1.00 0.00 C ATOM 1062 C SER A 73 -2.562 -10.327 8.104 1.00 0.00 C ATOM 1063 O SER A 73 -1.919 -11.171 7.481 1.00 0.00 O ATOM 1064 CB SER A 73 -3.821 -9.067 6.347 1.00 0.00 C ATOM 1065 OG SER A 73 -3.769 -7.922 5.514 1.00 0.00 O ATOM 0 H SER A 73 -1.017 -8.925 6.453 1.00 0.00 H new ATOM 0 HA SER A 73 -3.261 -8.313 8.281 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.595 -9.958 5.761 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.831 -9.191 6.738 1.00 0.00 H new ATOM 0 HG SER A 73 -4.410 -8.023 4.779 1.00 0.00 H new ATOM 1071 N ASN A 74 -3.061 -10.547 9.316 1.00 0.00 N ATOM 1072 CA ASN A 74 -2.876 -11.822 9.999 1.00 0.00 C ATOM 1073 C ASN A 74 -3.494 -11.788 11.393 1.00 0.00 C ATOM 1074 O ASN A 74 -3.707 -10.716 11.963 1.00 0.00 O ATOM 1075 CB ASN A 74 -1.386 -12.160 10.098 1.00 0.00 C ATOM 1076 CG ASN A 74 -0.980 -13.268 9.145 1.00 0.00 C ATOM 1077 OD1 ASN A 74 -0.005 -13.139 8.405 1.00 0.00 O ATOM 1078 ND2 ASN A 74 -1.730 -14.364 9.158 1.00 0.00 N ATOM 0 H ASN A 74 -3.597 -9.859 9.845 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.380 -12.594 9.417 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.799 -11.267 9.884 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -1.151 -12.459 11.120 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -1.507 -15.142 8.538 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -2.529 -14.427 9.788 1.00 0.00 H new ATOM 1085 N ASP A 75 -3.779 -12.965 11.937 1.00 0.00 N ATOM 1086 CA ASP A 75 -4.371 -13.070 13.265 1.00 0.00 C ATOM 1087 C ASP A 75 -4.529 -14.532 13.677 1.00 0.00 C ATOM 1088 O ASP A 75 -4.207 -14.908 14.803 1.00 0.00 O ATOM 1089 CB ASP A 75 -5.731 -12.369 13.299 1.00 0.00 C ATOM 1090 CG ASP A 75 -6.044 -11.777 14.659 1.00 0.00 C ATOM 1091 OD1 ASP A 75 -5.610 -12.360 15.674 1.00 0.00 O ATOM 1092 OD2 ASP A 75 -6.721 -10.729 14.707 1.00 0.00 O ATOM 0 H ASP A 75 -3.610 -13.860 11.479 1.00 0.00 H new ATOM 0 HA ASP A 75 -3.701 -12.582 13.973 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.747 -11.578 12.549 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -6.510 -13.081 13.028 1.00 0.00 H new ATOM 1097 N SER A 76 -5.025 -15.349 12.755 1.00 0.00 N ATOM 1098 CA SER A 76 -5.231 -16.768 13.022 1.00 0.00 C ATOM 1099 C SER A 76 -4.251 -17.619 12.220 1.00 0.00 C ATOM 1100 O SER A 76 -4.276 -18.847 12.291 1.00 0.00 O ATOM 1101 CB SER A 76 -6.667 -17.171 12.685 1.00 0.00 C ATOM 1102 OG SER A 76 -6.873 -18.556 12.898 1.00 0.00 O ATOM 0 H SER A 76 -5.292 -15.053 11.816 1.00 0.00 H new ATOM 0 HA SER A 76 -5.053 -16.941 14.083 1.00 0.00 H new ATOM 0 HB2 SER A 76 -7.362 -16.598 13.299 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.882 -16.924 11.645 1.00 0.00 H new ATOM 0 HG SER A 76 -6.034 -19.039 12.746 1.00 0.00 H new ATOM 1108 N GLY A 77 -3.387 -16.956 11.458 1.00 0.00 N ATOM 1109 CA GLY A 77 -2.410 -17.666 10.653 1.00 0.00 C ATOM 1110 C GLY A 77 -2.900 -17.924 9.241 1.00 0.00 C ATOM 1111 O GLY A 77 -2.141 -17.793 8.281 1.00 0.00 O ATOM 0 H GLY A 77 -3.346 -15.940 11.384 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.487 -17.088 10.614 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.171 -18.616 11.131 1.00 0.00 H new ATOM 1115 N SER A 78 -4.170 -18.293 9.115 1.00 0.00 N ATOM 1116 CA SER A 78 -4.759 -18.576 7.812 1.00 0.00 C ATOM 1117 C SER A 78 -5.891 -17.602 7.503 1.00 0.00 C ATOM 1118 O SER A 78 -6.243 -17.384 6.343 1.00 0.00 O ATOM 1119 CB SER A 78 -5.280 -20.013 7.764 1.00 0.00 C ATOM 1120 OG SER A 78 -4.710 -20.728 6.681 1.00 0.00 O ATOM 0 H SER A 78 -4.812 -18.403 9.900 1.00 0.00 H new ATOM 0 HA SER A 78 -3.982 -18.454 7.057 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.046 -20.519 8.701 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.366 -20.006 7.668 1.00 0.00 H new ATOM 0 HG SER A 78 -5.058 -21.644 6.674 1.00 0.00 H new ATOM 1126 N THR A 79 -6.461 -17.015 8.552 1.00 0.00 N ATOM 1127 CA THR A 79 -7.554 -16.065 8.396 1.00 0.00 C ATOM 1128 C THR A 79 -7.129 -14.663 8.820 1.00 0.00 C ATOM 1129 O THR A 79 -7.504 -14.171 9.885 1.00 0.00 O ATOM 1130 CB THR A 79 -8.787 -16.486 9.219 1.00 0.00 C ATOM 1131 OG1 THR A 79 -8.963 -17.906 9.145 1.00 0.00 O ATOM 1132 CG2 THR A 79 -10.039 -15.787 8.713 1.00 0.00 C ATOM 0 H THR A 79 -6.183 -17.182 9.519 1.00 0.00 H new ATOM 0 HA THR A 79 -7.817 -16.058 7.338 1.00 0.00 H new ATOM 0 HB THR A 79 -8.622 -16.194 10.256 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.747 -18.166 9.672 1.00 0.00 H new ATOM 0 HG21 THR A 79 -10.896 -16.100 9.309 1.00 0.00 H new ATOM 0 HG22 THR A 79 -9.912 -14.708 8.798 1.00 0.00 H new ATOM 0 HG23 THR A 79 -10.207 -16.052 7.669 1.00 0.00 H new ATOM 1140 N PRO A 80 -6.329 -14.004 7.970 1.00 0.00 N ATOM 1141 CA PRO A 80 -5.837 -12.649 8.235 1.00 0.00 C ATOM 1142 C PRO A 80 -6.946 -11.605 8.157 1.00 0.00 C ATOM 1143 O PRO A 80 -7.874 -11.727 7.357 1.00 0.00 O ATOM 1144 CB PRO A 80 -4.809 -12.421 7.124 1.00 0.00 C ATOM 1145 CG PRO A 80 -5.237 -13.324 6.020 1.00 0.00 C ATOM 1146 CD PRO A 80 -5.844 -14.530 6.683 1.00 0.00 C ATOM 0 HA PRO A 80 -5.426 -12.554 9.240 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.799 -11.380 6.802 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.801 -12.660 7.462 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.960 -12.831 5.370 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.389 -13.607 5.396 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -6.656 -14.949 6.089 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -5.110 -15.323 6.824 1.00 0.00 H new ATOM 1154 N THR A 81 -6.842 -10.575 8.992 1.00 0.00 N ATOM 1155 CA THR A 81 -7.837 -9.510 9.019 1.00 0.00 C ATOM 1156 C THR A 81 -7.219 -8.193 9.476 1.00 0.00 C ATOM 1157 O THR A 81 -7.238 -7.201 8.749 1.00 0.00 O ATOM 1158 CB THR A 81 -9.014 -9.861 9.946 1.00 0.00 C ATOM 1159 OG1 THR A 81 -8.535 -10.102 11.275 1.00 0.00 O ATOM 1160 CG2 THR A 81 -9.755 -11.089 9.439 1.00 0.00 C ATOM 0 H THR A 81 -6.079 -10.456 9.658 1.00 0.00 H new ATOM 0 HA THR A 81 -8.209 -9.400 8.000 1.00 0.00 H new ATOM 0 HB THR A 81 -9.705 -9.018 9.955 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.290 -10.323 11.860 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.583 -11.318 10.111 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.142 -10.893 8.439 1.00 0.00 H new ATOM 0 HG23 THR A 81 -9.072 -11.937 9.403 1.00 0.00 H new ATOM 1168 N ASN A 82 -6.671 -8.191 10.687 1.00 0.00 N ATOM 1169 CA ASN A 82 -6.047 -6.996 11.242 1.00 0.00 C ATOM 1170 C ASN A 82 -4.552 -7.210 11.454 1.00 0.00 C ATOM 1171 O ASN A 82 -4.025 -8.289 11.179 1.00 0.00 O ATOM 1172 CB ASN A 82 -6.712 -6.616 12.566 1.00 0.00 C ATOM 1173 CG ASN A 82 -7.918 -5.717 12.372 1.00 0.00 C ATOM 1174 OD1 ASN A 82 -7.780 -4.539 12.046 1.00 0.00 O ATOM 1175 ND2 ASN A 82 -9.108 -6.272 12.572 1.00 0.00 N ATOM 0 H ASN A 82 -6.647 -9.004 11.303 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.181 -6.183 10.529 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -7.018 -7.522 13.088 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -5.985 -6.111 13.203 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -9.956 -5.717 12.456 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -9.174 -7.254 12.842 1.00 0.00 H new ATOM 1182 N TRP A 83 -3.875 -6.178 11.943 1.00 0.00 N ATOM 1183 CA TRP A 83 -2.439 -6.254 12.191 1.00 0.00 C ATOM 1184 C TRP A 83 -1.928 -4.964 12.822 1.00 0.00 C ATOM 1185 O TRP A 83 -2.642 -3.962 12.880 1.00 0.00 O ATOM 1186 CB TRP A 83 -1.688 -6.532 10.888 1.00 0.00 C ATOM 1187 CG TRP A 83 -0.320 -7.105 11.102 1.00 0.00 C ATOM 1188 CD1 TRP A 83 0.873 -6.501 10.825 1.00 0.00 C ATOM 1189 CD2 TRP A 83 -0.004 -8.396 11.635 1.00 0.00 C ATOM 1190 NE1 TRP A 83 1.911 -7.339 11.155 1.00 0.00 N ATOM 1191 CE2 TRP A 83 1.400 -8.507 11.654 1.00 0.00 C ATOM 1192 CE3 TRP A 83 -0.771 -9.467 12.101 1.00 0.00 C ATOM 1193 CZ2 TRP A 83 2.049 -9.647 12.119 1.00 0.00 C ATOM 1194 CZ3 TRP A 83 -0.125 -10.598 12.561 1.00 0.00 C ATOM 1195 CH2 TRP A 83 1.274 -10.681 12.569 1.00 0.00 C ATOM 0 H TRP A 83 -4.296 -5.279 12.176 1.00 0.00 H new ATOM 0 HA TRP A 83 -2.259 -7.074 12.886 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -2.273 -7.223 10.280 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.601 -5.605 10.322 1.00 0.00 H new ATOM 0 HD1 TRP A 83 0.984 -5.511 10.408 1.00 0.00 H new ATOM 0 HE1 TRP A 83 2.902 -7.125 11.046 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -1.850 -9.412 12.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 3.127 -9.713 12.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.708 -11.433 12.921 1.00 0.00 H new ATOM 0 HH2 TRP A 83 1.749 -11.578 12.937 1.00 0.00 H new ATOM 1206 N THR A 84 -0.684 -4.993 13.292 1.00 0.00 N ATOM 1207 CA THR A 84 -0.076 -3.825 13.919 1.00 0.00 C ATOM 1208 C THR A 84 0.873 -3.117 12.960 1.00 0.00 C ATOM 1209 O THR A 84 1.681 -3.757 12.285 1.00 0.00 O ATOM 1210 CB THR A 84 0.694 -4.211 15.196 1.00 0.00 C ATOM 1211 OG1 THR A 84 0.540 -5.610 15.458 1.00 0.00 O ATOM 1212 CG2 THR A 84 0.199 -3.408 16.389 1.00 0.00 C ATOM 0 H THR A 84 -0.078 -5.812 13.250 1.00 0.00 H new ATOM 0 HA THR A 84 -0.889 -3.149 14.184 1.00 0.00 H new ATOM 0 HB THR A 84 1.749 -3.986 15.040 1.00 0.00 H new ATOM 0 HG1 THR A 84 1.034 -5.847 16.270 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.757 -3.698 17.279 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.346 -2.345 16.198 1.00 0.00 H new ATOM 0 HG23 THR A 84 -0.862 -3.605 16.546 1.00 0.00 H new ATOM 1220 N THR A 85 0.773 -1.793 12.903 1.00 0.00 N ATOM 1221 CA THR A 85 1.623 -0.999 12.025 1.00 0.00 C ATOM 1222 C THR A 85 3.091 -1.364 12.205 1.00 0.00 C ATOM 1223 O THR A 85 3.483 -1.920 13.231 1.00 0.00 O ATOM 1224 CB THR A 85 1.445 0.508 12.285 1.00 0.00 C ATOM 1225 OG1 THR A 85 1.610 0.788 13.680 1.00 0.00 O ATOM 1226 CG2 THR A 85 0.073 0.979 11.827 1.00 0.00 C ATOM 0 H THR A 85 0.111 -1.248 13.455 1.00 0.00 H new ATOM 0 HA THR A 85 1.319 -1.222 11.002 1.00 0.00 H new ATOM 0 HB THR A 85 2.204 1.044 11.715 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.497 1.749 13.836 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.029 2.047 12.021 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.038 0.792 10.759 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.699 0.436 12.372 1.00 0.00 H new ATOM 1234 N VAL A 86 3.902 -1.048 11.200 1.00 0.00 N ATOM 1235 CA VAL A 86 5.330 -1.342 11.248 1.00 0.00 C ATOM 1236 C VAL A 86 6.155 -0.060 11.231 1.00 0.00 C ATOM 1237 O VAL A 86 7.348 -0.073 11.539 1.00 0.00 O ATOM 1238 CB VAL A 86 5.760 -2.233 10.067 1.00 0.00 C ATOM 1239 CG1 VAL A 86 7.179 -2.740 10.270 1.00 0.00 C ATOM 1240 CG2 VAL A 86 4.789 -3.391 9.894 1.00 0.00 C ATOM 0 H VAL A 86 3.595 -0.588 10.343 1.00 0.00 H new ATOM 0 HA VAL A 86 5.513 -1.876 12.181 1.00 0.00 H new ATOM 0 HB VAL A 86 5.742 -1.635 9.156 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.465 -3.368 9.426 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.861 -1.893 10.340 1.00 0.00 H new ATOM 0 HG13 VAL A 86 7.229 -3.323 11.189 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.107 -4.011 9.056 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.773 -3.992 10.804 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.790 -3.002 9.699 1.00 0.00 H new ATOM 1250 N TYR A 87 5.514 1.045 10.868 1.00 0.00 N ATOM 1251 CA TYR A 87 6.189 2.336 10.808 1.00 0.00 C ATOM 1252 C TYR A 87 5.183 3.481 10.885 1.00 0.00 C ATOM 1253 O TYR A 87 4.040 3.348 10.448 1.00 0.00 O ATOM 1254 CB TYR A 87 7.009 2.448 9.522 1.00 0.00 C ATOM 1255 CG TYR A 87 7.977 3.610 9.519 1.00 0.00 C ATOM 1256 CD1 TYR A 87 8.750 3.897 10.637 1.00 0.00 C ATOM 1257 CD2 TYR A 87 8.116 4.420 8.399 1.00 0.00 C ATOM 1258 CE1 TYR A 87 9.635 4.958 10.639 1.00 0.00 C ATOM 1259 CE2 TYR A 87 9.000 5.483 8.393 1.00 0.00 C ATOM 1260 CZ TYR A 87 9.756 5.748 9.515 1.00 0.00 C ATOM 1261 OH TYR A 87 10.636 6.806 9.512 1.00 0.00 O ATOM 0 H TYR A 87 4.527 1.073 10.611 1.00 0.00 H new ATOM 0 HA TYR A 87 6.859 2.407 11.665 1.00 0.00 H new ATOM 0 HB2 TYR A 87 7.565 1.522 9.374 1.00 0.00 H new ATOM 0 HB3 TYR A 87 6.330 2.550 8.676 1.00 0.00 H new ATOM 0 HD1 TYR A 87 8.658 3.281 11.519 1.00 0.00 H new ATOM 0 HD2 TYR A 87 7.524 4.216 7.519 1.00 0.00 H new ATOM 0 HE1 TYR A 87 10.229 5.168 11.516 1.00 0.00 H new ATOM 0 HE2 TYR A 87 9.098 6.103 7.514 1.00 0.00 H new ATOM 0 HH TYR A 87 11.198 6.762 8.710 1.00 0.00 H new ATOM 1271 N SER A 88 5.619 4.606 11.443 1.00 0.00 N ATOM 1272 CA SER A 88 4.757 5.774 11.580 1.00 0.00 C ATOM 1273 C SER A 88 5.504 6.925 12.250 1.00 0.00 C ATOM 1274 O SER A 88 6.045 6.775 13.346 1.00 0.00 O ATOM 1275 CB SER A 88 3.509 5.421 12.391 1.00 0.00 C ATOM 1276 OG SER A 88 3.851 4.727 13.577 1.00 0.00 O ATOM 0 H SER A 88 6.563 4.733 11.807 1.00 0.00 H new ATOM 0 HA SER A 88 4.455 6.091 10.582 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.966 6.332 12.643 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.840 4.808 11.787 1.00 0.00 H new ATOM 0 HG SER A 88 4.689 5.086 13.936 1.00 0.00 H new ATOM 1282 N THR A 89 5.530 8.073 11.581 1.00 0.00 N ATOM 1283 CA THR A 89 6.210 9.249 12.109 1.00 0.00 C ATOM 1284 C THR A 89 6.064 10.439 11.166 1.00 0.00 C ATOM 1285 O THR A 89 5.255 10.413 10.238 1.00 0.00 O ATOM 1286 CB THR A 89 7.707 8.974 12.342 1.00 0.00 C ATOM 1287 OG1 THR A 89 8.240 9.919 13.277 1.00 0.00 O ATOM 1288 CG2 THR A 89 8.483 9.054 11.035 1.00 0.00 C ATOM 0 H THR A 89 5.088 8.213 10.673 1.00 0.00 H new ATOM 0 HA THR A 89 5.738 9.485 13.063 1.00 0.00 H new ATOM 0 HB THR A 89 7.809 7.967 12.746 1.00 0.00 H new ATOM 0 HG1 THR A 89 9.192 9.736 13.421 1.00 0.00 H new ATOM 0 HG21 THR A 89 9.538 8.856 11.225 1.00 0.00 H new ATOM 0 HG22 THR A 89 8.095 8.313 10.336 1.00 0.00 H new ATOM 0 HG23 THR A 89 8.372 10.050 10.607 1.00 0.00 H new ATOM 1296 N THR A 90 6.853 11.480 11.410 1.00 0.00 N ATOM 1297 CA THR A 90 6.811 12.679 10.582 1.00 0.00 C ATOM 1298 C THR A 90 7.808 12.591 9.433 1.00 0.00 C ATOM 1299 O THR A 90 8.506 13.558 9.126 1.00 0.00 O ATOM 1300 CB THR A 90 7.110 13.944 11.410 1.00 0.00 C ATOM 1301 OG1 THR A 90 8.400 13.835 12.023 1.00 0.00 O ATOM 1302 CG2 THR A 90 6.050 14.153 12.481 1.00 0.00 C ATOM 0 H THR A 90 7.528 11.517 12.173 1.00 0.00 H new ATOM 0 HA THR A 90 5.801 12.747 10.178 1.00 0.00 H new ATOM 0 HB THR A 90 7.099 14.802 10.738 1.00 0.00 H new ATOM 0 HG1 THR A 90 8.583 14.643 12.546 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.282 15.052 13.052 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.074 14.265 12.010 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.033 13.292 13.149 1.00 0.00 H new ATOM 1310 N THR A 91 7.873 11.424 8.800 1.00 0.00 N ATOM 1311 CA THR A 91 8.786 11.208 7.685 1.00 0.00 C ATOM 1312 C THR A 91 8.038 11.200 6.356 1.00 0.00 C ATOM 1313 O THR A 91 8.058 10.207 5.628 1.00 0.00 O ATOM 1314 CB THR A 91 9.555 9.882 7.838 1.00 0.00 C ATOM 1315 OG1 THR A 91 10.457 9.710 6.739 1.00 0.00 O ATOM 1316 CG2 THR A 91 8.595 8.704 7.901 1.00 0.00 C ATOM 0 H THR A 91 7.303 10.613 9.041 1.00 0.00 H new ATOM 0 HA THR A 91 9.497 12.034 7.693 1.00 0.00 H new ATOM 0 HB THR A 91 10.120 9.920 8.769 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.946 9.545 5.919 1.00 0.00 H new ATOM 0 HG21 THR A 91 9.161 7.779 8.009 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.928 8.823 8.755 1.00 0.00 H new ATOM 0 HG23 THR A 91 8.007 8.665 6.984 1.00 0.00 H new ATOM 1324 N GLY A 92 7.380 12.312 6.045 1.00 0.00 N ATOM 1325 CA GLY A 92 6.636 12.410 4.804 1.00 0.00 C ATOM 1326 C GLY A 92 7.506 12.174 3.585 1.00 0.00 C ATOM 1327 O GLY A 92 7.887 11.039 3.297 1.00 0.00 O ATOM 0 H GLY A 92 7.349 13.147 6.630 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.824 11.683 4.813 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.179 13.397 4.735 1.00 0.00 H new ATOM 1331 N ASP A 93 7.822 13.247 2.869 1.00 0.00 N ATOM 1332 CA ASP A 93 8.653 13.151 1.674 1.00 0.00 C ATOM 1333 C ASP A 93 7.944 12.355 0.582 1.00 0.00 C ATOM 1334 O ASP A 93 8.032 11.129 0.536 1.00 0.00 O ATOM 1335 CB ASP A 93 9.993 12.496 2.010 1.00 0.00 C ATOM 1336 CG ASP A 93 11.125 13.017 1.147 1.00 0.00 C ATOM 1337 OD1 ASP A 93 10.870 13.342 -0.032 1.00 0.00 O ATOM 1338 OD2 ASP A 93 12.266 13.098 1.649 1.00 0.00 O ATOM 0 H ASP A 93 7.516 14.193 3.095 1.00 0.00 H new ATOM 0 HA ASP A 93 8.833 14.161 1.305 1.00 0.00 H new ATOM 0 HB2 ASP A 93 10.228 12.674 3.059 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.909 11.417 1.881 1.00 0.00 H new ATOM 1343 N GLY A 94 7.239 13.063 -0.296 1.00 0.00 N ATOM 1344 CA GLY A 94 6.526 12.407 -1.376 1.00 0.00 C ATOM 1345 C GLY A 94 7.396 11.424 -2.134 1.00 0.00 C ATOM 1346 O GLY A 94 6.893 10.480 -2.742 1.00 0.00 O ATOM 0 H GLY A 94 7.149 14.079 -0.278 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.661 11.883 -0.970 1.00 0.00 H new ATOM 0 HA3 GLY A 94 6.147 13.160 -2.067 1.00 0.00 H new ATOM 1350 N ALA A 95 8.705 11.648 -2.100 1.00 0.00 N ATOM 1351 CA ALA A 95 9.648 10.775 -2.789 1.00 0.00 C ATOM 1352 C ALA A 95 9.543 9.342 -2.279 1.00 0.00 C ATOM 1353 O ALA A 95 8.978 9.093 -1.214 1.00 0.00 O ATOM 1354 CB ALA A 95 11.068 11.295 -2.622 1.00 0.00 C ATOM 0 H ALA A 95 9.137 12.427 -1.603 1.00 0.00 H new ATOM 0 HA ALA A 95 9.396 10.774 -3.849 1.00 0.00 H new ATOM 0 HB1 ALA A 95 11.761 10.633 -3.141 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.140 12.298 -3.042 1.00 0.00 H new ATOM 0 HB3 ALA A 95 11.322 11.327 -1.562 1.00 0.00 H new ATOM 1360 N ILE A 96 10.090 8.405 -3.045 1.00 0.00 N ATOM 1361 CA ILE A 96 10.058 6.997 -2.670 1.00 0.00 C ATOM 1362 C ILE A 96 10.685 6.780 -1.296 1.00 0.00 C ATOM 1363 O ILE A 96 11.808 7.216 -1.040 1.00 0.00 O ATOM 1364 CB ILE A 96 10.794 6.121 -3.702 1.00 0.00 C ATOM 1365 CG1 ILE A 96 10.333 6.470 -5.119 1.00 0.00 C ATOM 1366 CG2 ILE A 96 10.558 4.647 -3.410 1.00 0.00 C ATOM 1367 CD1 ILE A 96 11.323 7.320 -5.885 1.00 0.00 C ATOM 0 H ILE A 96 10.561 8.595 -3.930 1.00 0.00 H new ATOM 0 HA ILE A 96 9.009 6.703 -2.639 1.00 0.00 H new ATOM 0 HB ILE A 96 11.863 6.318 -3.629 1.00 0.00 H new ATOM 0 HG12 ILE A 96 10.154 5.548 -5.672 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.381 6.997 -5.063 1.00 0.00 H new ATOM 0 HG21 ILE A 96 11.084 4.041 -4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.930 4.409 -2.413 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.490 4.433 -3.460 1.00 0.00 H new ATOM 0 HD11 ILE A 96 10.930 7.528 -6.880 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.484 8.259 -5.355 1.00 0.00 H new ATOM 0 HD13 ILE A 96 12.269 6.786 -5.973 1.00 0.00 H new ATOM 1379 N ASP A 97 9.954 6.102 -0.418 1.00 0.00 N ATOM 1380 CA ASP A 97 10.441 5.824 0.928 1.00 0.00 C ATOM 1381 C ASP A 97 10.577 4.322 1.156 1.00 0.00 C ATOM 1382 O ASP A 97 9.624 3.566 0.969 1.00 0.00 O ATOM 1383 CB ASP A 97 9.494 6.427 1.968 1.00 0.00 C ATOM 1384 CG ASP A 97 9.757 7.902 2.203 1.00 0.00 C ATOM 1385 OD1 ASP A 97 9.246 8.727 1.416 1.00 0.00 O ATOM 1386 OD2 ASP A 97 10.470 8.230 3.173 1.00 0.00 O ATOM 0 H ASP A 97 9.023 5.735 -0.614 1.00 0.00 H new ATOM 0 HA ASP A 97 11.425 6.280 1.035 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.464 6.292 1.639 1.00 0.00 H new ATOM 0 HB3 ASP A 97 9.601 5.887 2.909 1.00 0.00 H new ATOM 1391 N ASP A 98 11.769 3.898 1.562 1.00 0.00 N ATOM 1392 CA ASP A 98 12.032 2.485 1.817 1.00 0.00 C ATOM 1393 C ASP A 98 11.918 2.172 3.305 1.00 0.00 C ATOM 1394 O ASP A 98 12.695 2.677 4.116 1.00 0.00 O ATOM 1395 CB ASP A 98 13.421 2.103 1.306 1.00 0.00 C ATOM 1396 CG ASP A 98 13.912 0.792 1.888 1.00 0.00 C ATOM 1397 OD1 ASP A 98 13.103 -0.155 1.982 1.00 0.00 O ATOM 1398 OD2 ASP A 98 15.104 0.713 2.249 1.00 0.00 O ATOM 0 H ASP A 98 12.568 4.511 1.722 1.00 0.00 H new ATOM 0 HA ASP A 98 11.284 1.899 1.283 1.00 0.00 H new ATOM 0 HB2 ASP A 98 13.397 2.028 0.219 1.00 0.00 H new ATOM 0 HB3 ASP A 98 14.127 2.895 1.555 1.00 0.00 H new ATOM 1403 N ILE A 99 10.947 1.336 3.657 1.00 0.00 N ATOM 1404 CA ILE A 99 10.732 0.955 5.047 1.00 0.00 C ATOM 1405 C ILE A 99 11.299 -0.431 5.331 1.00 0.00 C ATOM 1406 O ILE A 99 10.863 -1.424 4.745 1.00 0.00 O ATOM 1407 CB ILE A 99 9.236 0.972 5.411 1.00 0.00 C ATOM 1408 CG1 ILE A 99 8.626 2.340 5.098 1.00 0.00 C ATOM 1409 CG2 ILE A 99 9.044 0.623 6.880 1.00 0.00 C ATOM 1410 CD1 ILE A 99 7.154 2.436 5.431 1.00 0.00 C ATOM 0 H ILE A 99 10.296 0.909 2.998 1.00 0.00 H new ATOM 0 HA ILE A 99 11.254 1.690 5.660 1.00 0.00 H new ATOM 0 HB ILE A 99 8.723 0.222 4.809 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.167 3.106 5.654 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.765 2.557 4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.981 0.639 7.122 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.445 -0.372 7.073 1.00 0.00 H new ATOM 0 HG23 ILE A 99 9.568 1.352 7.499 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.789 3.433 5.183 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.601 1.694 4.855 1.00 0.00 H new ATOM 0 HD13 ILE A 99 7.009 2.251 6.495 1.00 0.00 H new ATOM 1422 N THR A 100 12.271 -0.494 6.235 1.00 0.00 N ATOM 1423 CA THR A 100 12.898 -1.759 6.597 1.00 0.00 C ATOM 1424 C THR A 100 12.524 -2.170 8.017 1.00 0.00 C ATOM 1425 O THR A 100 12.493 -1.340 8.927 1.00 0.00 O ATOM 1426 CB THR A 100 14.430 -1.680 6.484 1.00 0.00 C ATOM 1427 OG1 THR A 100 14.963 -0.912 7.570 1.00 0.00 O ATOM 1428 CG2 THR A 100 14.844 -1.052 5.162 1.00 0.00 C ATOM 0 H THR A 100 12.641 0.317 6.730 1.00 0.00 H new ATOM 0 HA THR A 100 12.529 -2.507 5.895 1.00 0.00 H new ATOM 0 HB THR A 100 14.828 -2.694 6.527 1.00 0.00 H new ATOM 0 HG1 THR A 100 15.939 -0.868 7.492 1.00 0.00 H new ATOM 0 HG21 THR A 100 15.932 -1.007 5.105 1.00 0.00 H new ATOM 0 HG22 THR A 100 14.462 -1.654 4.338 1.00 0.00 H new ATOM 0 HG23 THR A 100 14.435 -0.044 5.094 1.00 0.00 H new ATOM 1436 N PHE A 101 12.242 -3.455 8.201 1.00 0.00 N ATOM 1437 CA PHE A 101 11.871 -3.977 9.512 1.00 0.00 C ATOM 1438 C PHE A 101 12.457 -5.369 9.729 1.00 0.00 C ATOM 1439 O PHE A 101 13.213 -5.872 8.900 1.00 0.00 O ATOM 1440 CB PHE A 101 10.349 -4.023 9.653 1.00 0.00 C ATOM 1441 CG PHE A 101 9.624 -4.056 8.337 1.00 0.00 C ATOM 1442 CD1 PHE A 101 9.416 -5.256 7.677 1.00 0.00 C ATOM 1443 CD2 PHE A 101 9.155 -2.887 7.761 1.00 0.00 C ATOM 1444 CE1 PHE A 101 8.750 -5.290 6.465 1.00 0.00 C ATOM 1445 CE2 PHE A 101 8.488 -2.915 6.550 1.00 0.00 C ATOM 1446 CZ PHE A 101 8.287 -4.118 5.902 1.00 0.00 C ATOM 0 H PHE A 101 12.263 -4.155 7.459 1.00 0.00 H new ATOM 0 HA PHE A 101 12.279 -3.309 10.271 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.073 -4.904 10.233 1.00 0.00 H new ATOM 0 HB3 PHE A 101 10.018 -3.152 10.219 1.00 0.00 H new ATOM 0 HD1 PHE A 101 9.778 -6.175 8.113 1.00 0.00 H new ATOM 0 HD2 PHE A 101 9.312 -1.944 8.263 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.593 -6.232 5.960 1.00 0.00 H new ATOM 0 HE2 PHE A 101 8.125 -1.997 6.111 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.768 -4.142 4.955 1.00 0.00 H new ATOM 1456 N ALA A 102 12.099 -5.985 10.852 1.00 0.00 N ATOM 1457 CA ALA A 102 12.587 -7.320 11.178 1.00 0.00 C ATOM 1458 C ALA A 102 11.873 -8.382 10.351 1.00 0.00 C ATOM 1459 O ALA A 102 10.771 -8.158 9.853 1.00 0.00 O ATOM 1460 CB ALA A 102 12.410 -7.597 12.664 1.00 0.00 C ATOM 0 H ALA A 102 11.474 -5.582 11.550 1.00 0.00 H new ATOM 0 HA ALA A 102 13.649 -7.362 10.935 1.00 0.00 H new ATOM 0 HB1 ALA A 102 12.778 -8.597 12.894 1.00 0.00 H new ATOM 0 HB2 ALA A 102 12.972 -6.862 13.241 1.00 0.00 H new ATOM 0 HB3 ALA A 102 11.353 -7.531 12.923 1.00 0.00 H new ATOM 1466 N ALA A 103 12.510 -9.541 10.208 1.00 0.00 N ATOM 1467 CA ALA A 103 11.935 -10.639 9.442 1.00 0.00 C ATOM 1468 C ALA A 103 10.608 -11.091 10.043 1.00 0.00 C ATOM 1469 O ALA A 103 10.563 -11.610 11.159 1.00 0.00 O ATOM 1470 CB ALA A 103 12.911 -11.804 9.375 1.00 0.00 C ATOM 0 H ALA A 103 13.424 -9.743 10.613 1.00 0.00 H new ATOM 0 HA ALA A 103 11.743 -10.282 8.430 1.00 0.00 H new ATOM 0 HB1 ALA A 103 12.468 -12.617 8.800 1.00 0.00 H new ATOM 0 HB2 ALA A 103 13.833 -11.479 8.893 1.00 0.00 H new ATOM 0 HB3 ALA A 103 13.132 -12.152 10.384 1.00 0.00 H new ATOM 1476 N THR A 104 9.526 -10.892 9.295 1.00 0.00 N ATOM 1477 CA THR A 104 8.198 -11.279 9.755 1.00 0.00 C ATOM 1478 C THR A 104 7.401 -11.940 8.637 1.00 0.00 C ATOM 1479 O THR A 104 7.518 -11.564 7.471 1.00 0.00 O ATOM 1480 CB THR A 104 7.411 -10.064 10.283 1.00 0.00 C ATOM 1481 OG1 THR A 104 6.097 -10.467 10.680 1.00 0.00 O ATOM 1482 CG2 THR A 104 7.314 -8.979 9.220 1.00 0.00 C ATOM 0 H THR A 104 9.544 -10.465 8.369 1.00 0.00 H new ATOM 0 HA THR A 104 8.339 -11.992 10.567 1.00 0.00 H new ATOM 0 HB THR A 104 7.943 -9.661 11.145 1.00 0.00 H new ATOM 0 HG1 THR A 104 5.604 -9.690 11.016 1.00 0.00 H new ATOM 0 HG21 THR A 104 6.754 -8.131 9.615 1.00 0.00 H new ATOM 0 HG22 THR A 104 8.316 -8.653 8.940 1.00 0.00 H new ATOM 0 HG23 THR A 104 6.802 -9.374 8.342 1.00 0.00 H new ATOM 1490 N ASN A 105 6.587 -12.927 9.000 1.00 0.00 N ATOM 1491 CA ASN A 105 5.769 -13.641 8.027 1.00 0.00 C ATOM 1492 C ASN A 105 4.448 -12.917 7.792 1.00 0.00 C ATOM 1493 O ASN A 105 3.768 -12.522 8.739 1.00 0.00 O ATOM 1494 CB ASN A 105 5.504 -15.071 8.504 1.00 0.00 C ATOM 1495 CG ASN A 105 5.219 -15.140 9.992 1.00 0.00 C ATOM 1496 OD1 ASN A 105 4.065 -15.074 10.418 1.00 0.00 O ATOM 1497 ND2 ASN A 105 6.272 -15.273 10.790 1.00 0.00 N ATOM 0 H ASN A 105 6.477 -13.250 9.961 1.00 0.00 H new ATOM 0 HA ASN A 105 6.316 -13.676 7.085 1.00 0.00 H new ATOM 0 HB2 ASN A 105 4.657 -15.483 7.955 1.00 0.00 H new ATOM 0 HB3 ASN A 105 6.368 -15.694 8.273 1.00 0.00 H new ATOM 0 HD21 ASN A 105 6.143 -15.325 11.800 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.210 -15.324 10.392 1.00 0.00 H new ATOM 1504 N ALA A 106 4.090 -12.746 6.523 1.00 0.00 N ATOM 1505 CA ALA A 106 2.848 -12.073 6.164 1.00 0.00 C ATOM 1506 C ALA A 106 2.391 -12.474 4.765 1.00 0.00 C ATOM 1507 O ALA A 106 3.208 -12.782 3.898 1.00 0.00 O ATOM 1508 CB ALA A 106 3.023 -10.564 6.251 1.00 0.00 C ATOM 0 H ALA A 106 4.643 -13.064 5.727 1.00 0.00 H new ATOM 0 HA ALA A 106 2.078 -12.381 6.872 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.088 -10.073 5.980 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.297 -10.288 7.269 1.00 0.00 H new ATOM 0 HB3 ALA A 106 3.810 -10.249 5.566 1.00 0.00 H new ATOM 1514 N LYS A 107 1.079 -12.470 4.553 1.00 0.00 N ATOM 1515 CA LYS A 107 0.513 -12.833 3.259 1.00 0.00 C ATOM 1516 C LYS A 107 0.258 -11.592 2.410 1.00 0.00 C ATOM 1517 O LYS A 107 0.799 -11.458 1.311 1.00 0.00 O ATOM 1518 CB LYS A 107 -0.793 -13.608 3.452 1.00 0.00 C ATOM 1519 CG LYS A 107 -1.531 -13.249 4.729 1.00 0.00 C ATOM 1520 CD LYS A 107 -1.088 -14.119 5.893 1.00 0.00 C ATOM 1521 CE LYS A 107 -1.422 -15.584 5.654 1.00 0.00 C ATOM 1522 NZ LYS A 107 -2.813 -15.760 5.153 1.00 0.00 N ATOM 0 H LYS A 107 0.388 -12.220 5.260 1.00 0.00 H new ATOM 0 HA LYS A 107 1.232 -13.466 2.739 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -1.446 -13.420 2.600 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -0.574 -14.676 3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.355 -12.201 4.970 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -2.604 -13.365 4.575 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -0.014 -14.009 6.042 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.573 -13.779 6.808 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.720 -16.004 4.933 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.297 -16.141 6.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.037 -16.774 5.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.478 -15.293 5.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.898 -15.336 4.207 1.00 0.00 H new ATOM 1536 N PHE A 108 -0.567 -10.687 2.924 1.00 0.00 N ATOM 1537 CA PHE A 108 -0.892 -9.456 2.212 1.00 0.00 C ATOM 1538 C PHE A 108 -0.419 -8.234 2.994 1.00 0.00 C ATOM 1539 O PHE A 108 -0.371 -8.250 4.224 1.00 0.00 O ATOM 1540 CB PHE A 108 -2.400 -9.366 1.968 1.00 0.00 C ATOM 1541 CG PHE A 108 -3.032 -10.686 1.628 1.00 0.00 C ATOM 1542 CD1 PHE A 108 -2.341 -11.628 0.884 1.00 0.00 C ATOM 1543 CD2 PHE A 108 -4.317 -10.983 2.053 1.00 0.00 C ATOM 1544 CE1 PHE A 108 -2.920 -12.844 0.570 1.00 0.00 C ATOM 1545 CE2 PHE A 108 -4.900 -12.198 1.742 1.00 0.00 C ATOM 1546 CZ PHE A 108 -4.202 -13.128 0.999 1.00 0.00 C ATOM 0 H PHE A 108 -1.023 -10.782 3.831 1.00 0.00 H new ATOM 0 HA PHE A 108 -0.375 -9.474 1.252 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.881 -8.961 2.858 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -2.587 -8.663 1.157 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -1.339 -11.410 0.545 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -4.869 -10.258 2.633 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -2.371 -13.571 -0.010 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.901 -12.419 2.081 1.00 0.00 H new ATOM 0 HZ PHE A 108 -4.657 -14.076 0.753 1.00 0.00 H new ATOM 1556 N VAL A 109 -0.068 -7.176 2.270 1.00 0.00 N ATOM 1557 CA VAL A 109 0.402 -5.944 2.893 1.00 0.00 C ATOM 1558 C VAL A 109 -0.617 -4.822 2.730 1.00 0.00 C ATOM 1559 O VAL A 109 -1.232 -4.676 1.674 1.00 0.00 O ATOM 1560 CB VAL A 109 1.747 -5.491 2.296 1.00 0.00 C ATOM 1561 CG1 VAL A 109 2.236 -4.224 2.981 1.00 0.00 C ATOM 1562 CG2 VAL A 109 2.782 -6.601 2.411 1.00 0.00 C ATOM 0 H VAL A 109 -0.100 -7.147 1.251 1.00 0.00 H new ATOM 0 HA VAL A 109 0.537 -6.157 3.953 1.00 0.00 H new ATOM 0 HB VAL A 109 1.599 -5.271 1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 109 3.188 -3.919 2.546 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.503 -3.429 2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 109 2.368 -4.414 4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 109 3.726 -6.263 1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 109 2.928 -6.855 3.461 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.433 -7.481 1.870 1.00 0.00 H new ATOM 1572 N ARG A 110 -0.791 -4.031 3.784 1.00 0.00 N ATOM 1573 CA ARG A 110 -1.737 -2.922 3.759 1.00 0.00 C ATOM 1574 C ARG A 110 -1.082 -1.639 4.262 1.00 0.00 C ATOM 1575 O ARG A 110 -0.390 -1.640 5.279 1.00 0.00 O ATOM 1576 CB ARG A 110 -2.963 -3.250 4.612 1.00 0.00 C ATOM 1577 CG ARG A 110 -2.712 -3.144 6.108 1.00 0.00 C ATOM 1578 CD ARG A 110 -3.819 -3.813 6.907 1.00 0.00 C ATOM 1579 NE ARG A 110 -4.514 -2.866 7.776 1.00 0.00 N ATOM 1580 CZ ARG A 110 -5.649 -3.146 8.407 1.00 0.00 C ATOM 1581 NH1 ARG A 110 -6.211 -4.339 8.269 1.00 0.00 N ATOM 1582 NH2 ARG A 110 -6.223 -2.233 9.179 1.00 0.00 N ATOM 0 H ARG A 110 -0.289 -4.138 4.666 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.052 -2.769 2.727 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -3.775 -2.576 4.340 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -3.297 -4.261 4.379 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -1.756 -3.607 6.351 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -2.640 -2.094 6.392 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -4.534 -4.270 6.223 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.396 -4.616 7.510 1.00 0.00 H new ATOM 0 HE ARG A 110 -4.106 -1.940 7.905 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -5.772 -5.044 7.677 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -7.082 -4.551 8.755 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -5.793 -1.315 9.289 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -7.094 -2.449 9.663 1.00 0.00 H new ATOM 1596 N VAL A 111 -1.307 -0.544 3.541 1.00 0.00 N ATOM 1597 CA VAL A 111 -0.741 0.746 3.914 1.00 0.00 C ATOM 1598 C VAL A 111 -1.836 1.777 4.162 1.00 0.00 C ATOM 1599 O VAL A 111 -2.792 1.879 3.391 1.00 0.00 O ATOM 1600 CB VAL A 111 0.211 1.277 2.826 1.00 0.00 C ATOM 1601 CG1 VAL A 111 1.518 0.497 2.833 1.00 0.00 C ATOM 1602 CG2 VAL A 111 -0.452 1.210 1.459 1.00 0.00 C ATOM 0 H VAL A 111 -1.877 -0.526 2.696 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.179 0.590 4.834 1.00 0.00 H new ATOM 0 HB VAL A 111 0.437 2.321 3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.178 0.886 2.058 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.999 0.602 3.805 1.00 0.00 H new ATOM 0 HG13 VAL A 111 1.314 -0.556 2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.235 1.589 0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.709 0.176 1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.357 1.817 1.464 1.00 0.00 H new ATOM 1612 N TYR A 112 -1.691 2.539 5.240 1.00 0.00 N ATOM 1613 CA TYR A 112 -2.670 3.562 5.590 1.00 0.00 C ATOM 1614 C TYR A 112 -1.985 4.894 5.883 1.00 0.00 C ATOM 1615 O TYR A 112 -0.863 4.930 6.385 1.00 0.00 O ATOM 1616 CB TYR A 112 -3.489 3.118 6.804 1.00 0.00 C ATOM 1617 CG TYR A 112 -4.494 2.033 6.491 1.00 0.00 C ATOM 1618 CD1 TYR A 112 -4.080 0.772 6.080 1.00 0.00 C ATOM 1619 CD2 TYR A 112 -5.859 2.267 6.608 1.00 0.00 C ATOM 1620 CE1 TYR A 112 -4.994 -0.223 5.794 1.00 0.00 C ATOM 1621 CE2 TYR A 112 -6.780 1.278 6.325 1.00 0.00 C ATOM 1622 CZ TYR A 112 -6.343 0.035 5.918 1.00 0.00 C ATOM 1623 OH TYR A 112 -7.258 -0.954 5.635 1.00 0.00 O ATOM 0 H TYR A 112 -0.905 2.468 5.887 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.338 3.698 4.739 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -2.811 2.761 7.579 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -4.014 3.981 7.213 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -3.024 0.566 5.982 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -6.205 3.239 6.926 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -4.654 -1.197 5.475 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -7.837 1.477 6.422 1.00 0.00 H new ATOM 0 HH TYR A 112 -7.521 -0.897 4.693 1.00 0.00 H new ATOM 1633 N ALA A 113 -2.672 5.986 5.566 1.00 0.00 N ATOM 1634 CA ALA A 113 -2.133 7.321 5.798 1.00 0.00 C ATOM 1635 C ALA A 113 -3.108 8.175 6.601 1.00 0.00 C ATOM 1636 O ALA A 113 -4.044 8.754 6.048 1.00 0.00 O ATOM 1637 CB ALA A 113 -1.805 7.995 4.473 1.00 0.00 C ATOM 0 H ALA A 113 -3.602 5.973 5.148 1.00 0.00 H new ATOM 0 HA ALA A 113 -1.216 7.220 6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -1.404 8.991 4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.066 7.401 3.936 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -2.711 8.076 3.872 1.00 0.00 H new ATOM 1643 N THR A 114 -2.884 8.250 7.909 1.00 0.00 N ATOM 1644 CA THR A 114 -3.743 9.031 8.789 1.00 0.00 C ATOM 1645 C THR A 114 -4.027 10.408 8.199 1.00 0.00 C ATOM 1646 O THR A 114 -5.121 10.950 8.357 1.00 0.00 O ATOM 1647 CB THR A 114 -3.112 9.203 10.183 1.00 0.00 C ATOM 1648 OG1 THR A 114 -3.833 10.191 10.929 1.00 0.00 O ATOM 1649 CG2 THR A 114 -1.651 9.613 10.070 1.00 0.00 C ATOM 0 H THR A 114 -2.113 7.778 8.383 1.00 0.00 H new ATOM 0 HA THR A 114 -4.678 8.480 8.888 1.00 0.00 H new ATOM 0 HB THR A 114 -3.165 8.246 10.701 1.00 0.00 H new ATOM 0 HG1 THR A 114 -3.426 10.293 11.815 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.227 9.728 11.068 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.099 8.846 9.528 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.579 10.559 9.534 1.00 0.00 H new ATOM 1657 N THR A 115 -3.035 10.970 7.515 1.00 0.00 N ATOM 1658 CA THR A 115 -3.178 12.284 6.901 1.00 0.00 C ATOM 1659 C THR A 115 -3.196 12.182 5.381 1.00 0.00 C ATOM 1660 O THR A 115 -2.483 11.366 4.795 1.00 0.00 O ATOM 1661 CB THR A 115 -2.039 13.230 7.327 1.00 0.00 C ATOM 1662 OG1 THR A 115 -1.825 13.134 8.740 1.00 0.00 O ATOM 1663 CG2 THR A 115 -2.363 14.669 6.955 1.00 0.00 C ATOM 0 H THR A 115 -2.123 10.535 7.372 1.00 0.00 H new ATOM 0 HA THR A 115 -4.128 12.692 7.246 1.00 0.00 H new ATOM 0 HB THR A 115 -1.132 12.931 6.801 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.810 14.033 9.130 1.00 0.00 H new ATOM 0 HG21 THR A 115 -1.544 15.318 7.266 1.00 0.00 H new ATOM 0 HG22 THR A 115 -2.497 14.745 5.876 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.281 14.977 7.457 1.00 0.00 H new ATOM 1671 N ARG A 116 -4.014 13.015 4.745 1.00 0.00 N ATOM 1672 CA ARG A 116 -4.125 13.016 3.292 1.00 0.00 C ATOM 1673 C ARG A 116 -2.782 13.343 2.645 1.00 0.00 C ATOM 1674 O ARG A 116 -1.750 13.370 3.314 1.00 0.00 O ATOM 1675 CB ARG A 116 -5.180 14.028 2.841 1.00 0.00 C ATOM 1676 CG ARG A 116 -6.478 13.946 3.628 1.00 0.00 C ATOM 1677 CD ARG A 116 -6.580 15.064 4.653 1.00 0.00 C ATOM 1678 NE ARG A 116 -7.114 14.591 5.928 1.00 0.00 N ATOM 1679 CZ ARG A 116 -7.423 15.396 6.938 1.00 0.00 C ATOM 1680 NH1 ARG A 116 -7.254 16.705 6.824 1.00 0.00 N ATOM 1681 NH2 ARG A 116 -7.903 14.889 8.067 1.00 0.00 N ATOM 0 H ARG A 116 -4.609 13.698 5.214 1.00 0.00 H new ATOM 0 HA ARG A 116 -4.429 12.018 2.975 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -4.770 15.034 2.936 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -5.395 13.870 1.784 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -7.324 14.001 2.943 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -6.538 12.982 4.133 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -5.594 15.501 4.813 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -7.220 15.856 4.263 1.00 0.00 H new ATOM 0 HE ARG A 116 -7.257 13.588 6.049 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -6.885 17.098 5.958 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -7.493 17.320 7.602 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -8.034 13.882 8.158 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -8.140 15.507 8.843 1.00 0.00 H new ATOM 1695 N ALA A 117 -2.805 13.591 1.339 1.00 0.00 N ATOM 1696 CA ALA A 117 -1.591 13.917 0.602 1.00 0.00 C ATOM 1697 C ALA A 117 -1.711 15.275 -0.081 1.00 0.00 C ATOM 1698 O ALA A 117 -1.094 16.252 0.342 1.00 0.00 O ATOM 1699 CB ALA A 117 -1.287 12.834 -0.422 1.00 0.00 C ATOM 0 H ALA A 117 -3.651 13.572 0.770 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.767 13.969 1.314 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -0.377 13.091 -0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.148 11.880 0.087 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -2.117 12.753 -1.123 1.00 0.00 H new ATOM 1705 N THR A 118 -2.510 15.329 -1.143 1.00 0.00 N ATOM 1706 CA THR A 118 -2.710 16.566 -1.887 1.00 0.00 C ATOM 1707 C THR A 118 -4.003 16.519 -2.694 1.00 0.00 C ATOM 1708 O THR A 118 -4.877 15.693 -2.435 1.00 0.00 O ATOM 1709 CB THR A 118 -1.533 16.845 -2.841 1.00 0.00 C ATOM 1710 OG1 THR A 118 -0.419 16.013 -2.500 1.00 0.00 O ATOM 1711 CG2 THR A 118 -1.118 18.307 -2.775 1.00 0.00 C ATOM 0 H THR A 118 -3.029 14.530 -1.507 1.00 0.00 H new ATOM 0 HA THR A 118 -2.771 17.370 -1.153 1.00 0.00 H new ATOM 0 HB THR A 118 -1.857 16.621 -3.857 1.00 0.00 H new ATOM 0 HG1 THR A 118 0.283 16.113 -3.177 1.00 0.00 H new ATOM 0 HG21 THR A 118 -0.285 18.480 -3.457 1.00 0.00 H new ATOM 0 HG22 THR A 118 -1.959 18.937 -3.062 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.811 18.553 -1.758 1.00 0.00 H new ATOM 1719 N ALA A 119 -4.117 17.411 -3.673 1.00 0.00 N ATOM 1720 CA ALA A 119 -5.302 17.469 -4.520 1.00 0.00 C ATOM 1721 C ALA A 119 -5.725 16.074 -4.967 1.00 0.00 C ATOM 1722 O ALA A 119 -6.912 15.809 -5.168 1.00 0.00 O ATOM 1723 CB ALA A 119 -5.044 18.358 -5.727 1.00 0.00 C ATOM 0 H ALA A 119 -3.403 18.103 -3.899 1.00 0.00 H new ATOM 0 HA ALA A 119 -6.117 17.897 -3.936 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -5.937 18.392 -6.351 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -4.797 19.365 -5.391 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -4.213 17.954 -6.305 1.00 0.00 H new ATOM 1729 N TYR A 120 -4.750 15.186 -5.123 1.00 0.00 N ATOM 1730 CA TYR A 120 -5.022 13.820 -5.550 1.00 0.00 C ATOM 1731 C TYR A 120 -5.230 12.903 -4.348 1.00 0.00 C ATOM 1732 O TYR A 120 -4.496 12.976 -3.364 1.00 0.00 O ATOM 1733 CB TYR A 120 -3.873 13.294 -6.413 1.00 0.00 C ATOM 1734 CG TYR A 120 -4.329 12.646 -7.701 1.00 0.00 C ATOM 1735 CD1 TYR A 120 -5.141 11.518 -7.685 1.00 0.00 C ATOM 1736 CD2 TYR A 120 -3.949 13.163 -8.933 1.00 0.00 C ATOM 1737 CE1 TYR A 120 -5.559 10.924 -8.859 1.00 0.00 C ATOM 1738 CE2 TYR A 120 -4.364 12.576 -10.113 1.00 0.00 C ATOM 1739 CZ TYR A 120 -5.169 11.456 -10.071 1.00 0.00 C ATOM 1740 OH TYR A 120 -5.585 10.867 -11.243 1.00 0.00 O ATOM 0 H TYR A 120 -3.764 15.388 -4.960 1.00 0.00 H new ATOM 0 HA TYR A 120 -5.938 13.828 -6.141 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -3.201 14.119 -6.649 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -3.298 12.570 -5.836 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -5.450 11.099 -6.739 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -3.318 14.039 -8.969 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -6.188 10.047 -8.829 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -4.060 12.991 -11.063 1.00 0.00 H new ATOM 0 HH TYR A 120 -5.224 11.365 -12.006 1.00 0.00 H new ATOM 1750 N GLY A 121 -6.240 12.042 -4.436 1.00 0.00 N ATOM 1751 CA GLY A 121 -6.528 11.123 -3.350 1.00 0.00 C ATOM 1752 C GLY A 121 -5.301 10.356 -2.899 1.00 0.00 C ATOM 1753 O GLY A 121 -4.802 10.564 -1.794 1.00 0.00 O ATOM 0 H GLY A 121 -6.863 11.965 -5.240 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -6.936 11.679 -2.506 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -7.296 10.419 -3.668 1.00 0.00 H new ATOM 1757 N TYR A 122 -4.815 9.464 -3.756 1.00 0.00 N ATOM 1758 CA TYR A 122 -3.642 8.659 -3.438 1.00 0.00 C ATOM 1759 C TYR A 122 -2.878 8.285 -4.704 1.00 0.00 C ATOM 1760 O TYR A 122 -3.436 8.284 -5.802 1.00 0.00 O ATOM 1761 CB TYR A 122 -4.055 7.392 -2.686 1.00 0.00 C ATOM 1762 CG TYR A 122 -2.907 6.704 -1.984 1.00 0.00 C ATOM 1763 CD1 TYR A 122 -2.535 7.069 -0.695 1.00 0.00 C ATOM 1764 CD2 TYR A 122 -2.192 5.690 -2.608 1.00 0.00 C ATOM 1765 CE1 TYR A 122 -1.487 6.443 -0.050 1.00 0.00 C ATOM 1766 CE2 TYR A 122 -1.143 5.057 -1.969 1.00 0.00 C ATOM 1767 CZ TYR A 122 -0.794 5.437 -0.691 1.00 0.00 C ATOM 1768 OH TYR A 122 0.252 4.811 -0.052 1.00 0.00 O ATOM 0 H TYR A 122 -5.216 9.281 -4.676 1.00 0.00 H new ATOM 0 HA TYR A 122 -2.987 9.254 -2.802 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -4.818 7.648 -1.951 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -4.511 6.695 -3.389 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -3.075 7.856 -0.190 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -2.461 5.391 -3.610 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -1.211 6.739 0.951 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -0.599 4.269 -2.468 1.00 0.00 H new ATOM 0 HH TYR A 122 0.999 5.438 0.045 1.00 0.00 H new ATOM 1778 N SER A 123 -1.597 7.968 -4.543 1.00 0.00 N ATOM 1779 CA SER A 123 -0.755 7.595 -5.674 1.00 0.00 C ATOM 1780 C SER A 123 0.179 6.448 -5.298 1.00 0.00 C ATOM 1781 O SER A 123 0.588 6.316 -4.145 1.00 0.00 O ATOM 1782 CB SER A 123 0.063 8.799 -6.147 1.00 0.00 C ATOM 1783 OG SER A 123 -0.598 10.015 -5.842 1.00 0.00 O ATOM 0 H SER A 123 -1.120 7.962 -3.641 1.00 0.00 H new ATOM 0 HA SER A 123 -1.403 7.264 -6.486 1.00 0.00 H new ATOM 0 HB2 SER A 123 1.044 8.785 -5.672 1.00 0.00 H new ATOM 0 HB3 SER A 123 0.228 8.731 -7.222 1.00 0.00 H new ATOM 0 HG SER A 123 -0.055 10.769 -6.153 1.00 0.00 H new ATOM 1789 N LEU A 124 0.513 5.621 -6.283 1.00 0.00 N ATOM 1790 CA LEU A 124 1.399 4.483 -6.059 1.00 0.00 C ATOM 1791 C LEU A 124 1.856 3.879 -7.383 1.00 0.00 C ATOM 1792 O LEU A 124 1.194 3.001 -7.937 1.00 0.00 O ATOM 1793 CB LEU A 124 0.693 3.419 -5.217 1.00 0.00 C ATOM 1794 CG LEU A 124 1.515 2.175 -4.881 1.00 0.00 C ATOM 1795 CD1 LEU A 124 1.256 1.735 -3.449 1.00 0.00 C ATOM 1796 CD2 LEU A 124 1.196 1.048 -5.853 1.00 0.00 C ATOM 0 H LEU A 124 0.184 5.717 -7.244 1.00 0.00 H new ATOM 0 HA LEU A 124 2.277 4.839 -5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 124 0.369 3.879 -4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -0.206 3.104 -5.746 1.00 0.00 H new ATOM 0 HG LEU A 124 2.572 2.424 -4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.850 0.848 -3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 124 1.534 2.538 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 124 0.198 1.504 -3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.790 0.170 -5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.136 0.801 -5.788 1.00 0.00 H new ATOM 0 HD23 LEU A 124 1.433 1.365 -6.868 1.00 0.00 H new ATOM 1808 N TRP A 125 2.989 4.355 -7.884 1.00 0.00 N ATOM 1809 CA TRP A 125 3.535 3.860 -9.143 1.00 0.00 C ATOM 1810 C TRP A 125 4.755 2.977 -8.899 1.00 0.00 C ATOM 1811 O TRP A 125 5.100 2.138 -9.729 1.00 0.00 O ATOM 1812 CB TRP A 125 3.911 5.029 -10.055 1.00 0.00 C ATOM 1813 CG TRP A 125 2.762 5.944 -10.352 1.00 0.00 C ATOM 1814 CD1 TRP A 125 1.449 5.738 -10.041 1.00 0.00 C ATOM 1815 CD2 TRP A 125 2.824 7.207 -11.022 1.00 0.00 C ATOM 1816 NE1 TRP A 125 0.690 6.798 -10.476 1.00 0.00 N ATOM 1817 CE2 TRP A 125 1.510 7.712 -11.082 1.00 0.00 C ATOM 1818 CE3 TRP A 125 3.861 7.962 -11.577 1.00 0.00 C ATOM 1819 CZ2 TRP A 125 1.210 8.937 -11.673 1.00 0.00 C ATOM 1820 CZ3 TRP A 125 3.561 9.177 -12.164 1.00 0.00 C ATOM 1821 CH2 TRP A 125 2.245 9.655 -12.208 1.00 0.00 C ATOM 0 H TRP A 125 3.548 5.083 -7.439 1.00 0.00 H new ATOM 0 HA TRP A 125 2.767 3.260 -9.631 1.00 0.00 H new ATOM 0 HB2 TRP A 125 4.711 5.602 -9.587 1.00 0.00 H new ATOM 0 HB3 TRP A 125 4.306 4.637 -10.992 1.00 0.00 H new ATOM 0 HD1 TRP A 125 1.063 4.869 -9.528 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -0.320 6.889 -10.365 1.00 0.00 H new ATOM 0 HE3 TRP A 125 4.879 7.602 -11.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 0.196 9.307 -11.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 4.355 9.768 -12.596 1.00 0.00 H new ATOM 0 HH2 TRP A 125 2.043 10.609 -12.673 1.00 0.00 H new ATOM 1832 N GLU A 126 5.401 3.173 -7.753 1.00 0.00 N ATOM 1833 CA GLU A 126 6.582 2.393 -7.402 1.00 0.00 C ATOM 1834 C GLU A 126 6.434 1.779 -6.012 1.00 0.00 C ATOM 1835 O GLU A 126 7.004 2.273 -5.039 1.00 0.00 O ATOM 1836 CB GLU A 126 7.833 3.272 -7.451 1.00 0.00 C ATOM 1837 CG GLU A 126 9.111 2.497 -7.726 1.00 0.00 C ATOM 1838 CD GLU A 126 10.113 3.291 -8.541 1.00 0.00 C ATOM 1839 OE1 GLU A 126 10.831 4.124 -7.950 1.00 0.00 O ATOM 1840 OE2 GLU A 126 10.177 3.081 -9.770 1.00 0.00 O ATOM 0 H GLU A 126 5.127 3.863 -7.054 1.00 0.00 H new ATOM 0 HA GLU A 126 6.683 1.587 -8.129 1.00 0.00 H new ATOM 0 HB2 GLU A 126 7.704 4.030 -8.224 1.00 0.00 H new ATOM 0 HB3 GLU A 126 7.934 3.798 -6.502 1.00 0.00 H new ATOM 0 HG2 GLU A 126 9.567 2.208 -6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 126 8.866 1.576 -8.256 1.00 0.00 H new ATOM 1847 N PHE A 127 5.665 0.699 -5.929 1.00 0.00 N ATOM 1848 CA PHE A 127 5.440 0.018 -4.659 1.00 0.00 C ATOM 1849 C PHE A 127 5.809 -1.460 -4.762 1.00 0.00 C ATOM 1850 O PHE A 127 5.197 -2.211 -5.521 1.00 0.00 O ATOM 1851 CB PHE A 127 3.978 0.161 -4.231 1.00 0.00 C ATOM 1852 CG PHE A 127 3.620 -0.671 -3.032 1.00 0.00 C ATOM 1853 CD1 PHE A 127 4.550 -0.902 -2.031 1.00 0.00 C ATOM 1854 CD2 PHE A 127 2.355 -1.219 -2.906 1.00 0.00 C ATOM 1855 CE1 PHE A 127 4.224 -1.667 -0.927 1.00 0.00 C ATOM 1856 CE2 PHE A 127 2.022 -1.985 -1.804 1.00 0.00 C ATOM 1857 CZ PHE A 127 2.958 -2.208 -0.812 1.00 0.00 C ATOM 0 H PHE A 127 5.187 0.276 -6.725 1.00 0.00 H new ATOM 0 HA PHE A 127 6.078 0.483 -3.908 1.00 0.00 H new ATOM 0 HB2 PHE A 127 3.773 1.209 -4.011 1.00 0.00 H new ATOM 0 HB3 PHE A 127 3.335 -0.121 -5.064 1.00 0.00 H new ATOM 0 HD1 PHE A 127 5.540 -0.480 -2.114 1.00 0.00 H new ATOM 0 HD2 PHE A 127 1.619 -1.046 -3.678 1.00 0.00 H new ATOM 0 HE1 PHE A 127 4.958 -1.842 -0.155 1.00 0.00 H new ATOM 0 HE2 PHE A 127 1.032 -2.408 -1.719 1.00 0.00 H new ATOM 0 HZ PHE A 127 2.700 -2.804 0.051 1.00 0.00 H new ATOM 1867 N GLU A 128 6.814 -1.868 -3.994 1.00 0.00 N ATOM 1868 CA GLU A 128 7.266 -3.254 -4.001 1.00 0.00 C ATOM 1869 C GLU A 128 6.738 -4.004 -2.780 1.00 0.00 C ATOM 1870 O GLU A 128 6.976 -3.603 -1.640 1.00 0.00 O ATOM 1871 CB GLU A 128 8.794 -3.317 -4.029 1.00 0.00 C ATOM 1872 CG GLU A 128 9.352 -4.012 -5.259 1.00 0.00 C ATOM 1873 CD GLU A 128 10.764 -4.524 -5.049 1.00 0.00 C ATOM 1874 OE1 GLU A 128 11.457 -4.000 -4.152 1.00 0.00 O ATOM 1875 OE2 GLU A 128 11.175 -5.449 -5.780 1.00 0.00 O ATOM 0 H GLU A 128 7.330 -1.259 -3.359 1.00 0.00 H new ATOM 0 HA GLU A 128 6.874 -3.732 -4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 128 9.192 -2.303 -3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 128 9.144 -3.838 -3.138 1.00 0.00 H new ATOM 0 HG2 GLU A 128 8.703 -4.846 -5.526 1.00 0.00 H new ATOM 0 HG3 GLU A 128 9.342 -3.318 -6.100 1.00 0.00 H new ATOM 1882 N VAL A 129 6.019 -5.095 -3.028 1.00 0.00 N ATOM 1883 CA VAL A 129 5.458 -5.902 -1.951 1.00 0.00 C ATOM 1884 C VAL A 129 5.520 -7.387 -2.287 1.00 0.00 C ATOM 1885 O VAL A 129 4.844 -7.855 -3.204 1.00 0.00 O ATOM 1886 CB VAL A 129 3.997 -5.512 -1.661 1.00 0.00 C ATOM 1887 CG1 VAL A 129 3.210 -5.391 -2.956 1.00 0.00 C ATOM 1888 CG2 VAL A 129 3.351 -6.524 -0.727 1.00 0.00 C ATOM 0 H VAL A 129 5.812 -5.440 -3.965 1.00 0.00 H new ATOM 0 HA VAL A 129 6.061 -5.709 -1.064 1.00 0.00 H new ATOM 0 HB VAL A 129 3.989 -4.540 -1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.180 -5.115 -2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.662 -4.625 -3.586 1.00 0.00 H new ATOM 0 HG13 VAL A 129 3.223 -6.346 -3.480 1.00 0.00 H new ATOM 0 HG21 VAL A 129 2.319 -6.233 -0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.369 -7.510 -1.191 1.00 0.00 H new ATOM 0 HG23 VAL A 129 3.902 -6.555 0.213 1.00 0.00 H new ATOM 1898 N TYR A 130 6.334 -8.123 -1.539 1.00 0.00 N ATOM 1899 CA TYR A 130 6.486 -9.557 -1.759 1.00 0.00 C ATOM 1900 C TYR A 130 7.515 -10.149 -0.801 1.00 0.00 C ATOM 1901 O TYR A 130 8.478 -9.487 -0.420 1.00 0.00 O ATOM 1902 CB TYR A 130 6.903 -9.831 -3.205 1.00 0.00 C ATOM 1903 CG TYR A 130 7.660 -11.128 -3.382 1.00 0.00 C ATOM 1904 CD1 TYR A 130 9.036 -11.184 -3.197 1.00 0.00 C ATOM 1905 CD2 TYR A 130 6.998 -12.298 -3.731 1.00 0.00 C ATOM 1906 CE1 TYR A 130 9.730 -12.366 -3.359 1.00 0.00 C ATOM 1907 CE2 TYR A 130 7.685 -13.487 -3.894 1.00 0.00 C ATOM 1908 CZ TYR A 130 9.051 -13.515 -3.706 1.00 0.00 C ATOM 1909 OH TYR A 130 9.740 -14.695 -3.866 1.00 0.00 O ATOM 0 H TYR A 130 6.899 -7.751 -0.775 1.00 0.00 H new ATOM 0 HA TYR A 130 5.523 -10.032 -1.569 1.00 0.00 H new ATOM 0 HB2 TYR A 130 6.013 -9.851 -3.833 1.00 0.00 H new ATOM 0 HB3 TYR A 130 7.523 -9.007 -3.558 1.00 0.00 H new ATOM 0 HD1 TYR A 130 9.572 -10.287 -2.922 1.00 0.00 H new ATOM 0 HD2 TYR A 130 5.928 -12.279 -3.878 1.00 0.00 H new ATOM 0 HE1 TYR A 130 10.800 -12.391 -3.215 1.00 0.00 H new ATOM 0 HE2 TYR A 130 7.155 -14.388 -4.167 1.00 0.00 H new ATOM 0 HH TYR A 130 9.114 -15.409 -4.109 1.00 0.00 H new ATOM 1919 N GLY A 131 7.300 -11.404 -0.414 1.00 0.00 N ATOM 1920 CA GLY A 131 8.215 -12.066 0.497 1.00 0.00 C ATOM 1921 C GLY A 131 8.605 -13.452 0.021 1.00 0.00 C ATOM 1922 O GLY A 131 9.696 -13.646 -0.515 1.00 0.00 O ATOM 0 H GLY A 131 6.509 -11.973 -0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 131 9.113 -11.458 0.611 1.00 0.00 H new ATOM 0 HA3 GLY A 131 7.753 -12.140 1.481 1.00 0.00 H new