USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 809 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 18 GLN : amide:sc= 0.168 X(o=-1.2,f=-1.5) USER MOD Set 1.2: A 95 TYR OH : rot 30:sc= -1.32 USER MOD Set 2.1: A 29 ASN : amide:sc= -0.108 K(o=-0.11,f=-2.2!) USER MOD Set 2.2: A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.0547 X(o=-0.055,f=-0.28) USER MOD Single : A 10 MET CE :methyl -134:sc= -2.21 (180deg=-7.93!) USER MOD Single : A 13 MET CE :methyl -155:sc= -4.33 (180deg=-4.67!) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 144:sc= 0.721 (180deg=-0.143) USER MOD Single : A 20 MET CE :methyl 175:sc= -1.4 (180deg=-1.65) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot -98:sc= 0.00224 USER MOD Single : A 37 CYS SG : rot 117:sc= -5.08! USER MOD Single : A 43 SER OG : rot 180:sc= -0.219 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc=-0.000272 K(o=-0.00027,f=-1.7!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS :FLIP no HD1:sc= -4.96! C(o=-5.7!,f=-5!) USER MOD Single : A 86 LYS NZ :NH3+ -145:sc= 0.0656 (180deg=-0.131) USER MOD Single : A 90 GLN : amide:sc= -3.62! C(o=-3.6!,f=-6.9!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -0.118 K(o=-0.12,f=-1.9!) USER MOD Single : A 100 LYS NZ :NH3+ -169:sc= 0.961 (180deg=0.874) USER MOD Single : A 105 MET CE :methyl 157:sc= -7.91! (180deg=-9.27!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.984 K(o=0.98,f=-0.35) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -5.861 -14.149 0.611 1.00 0.00 N ATOM 67 CA GLU A 8 -5.769 -13.017 1.516 1.00 0.00 C ATOM 68 C GLU A 8 -5.687 -11.710 0.725 1.00 0.00 C ATOM 69 O GLU A 8 -4.596 -11.202 0.469 1.00 0.00 O ATOM 70 CB GLU A 8 -4.572 -13.163 2.458 1.00 0.00 C ATOM 71 CG GLU A 8 -4.867 -14.178 3.565 1.00 0.00 C ATOM 72 CD GLU A 8 -4.080 -15.472 3.345 1.00 0.00 C ATOM 73 OE1 GLU A 8 -3.963 -15.872 2.167 1.00 0.00 O ATOM 74 OE2 GLU A 8 -3.614 -16.032 4.361 1.00 0.00 O ATOM 0 HA GLU A 8 -6.671 -12.993 2.128 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.696 -13.480 1.892 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.333 -12.196 2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.608 -13.751 4.534 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.935 -14.397 3.588 1.00 0.00 H new ATOM 81 N GLN A 9 -6.855 -11.203 0.359 1.00 0.00 N ATOM 82 CA GLN A 9 -6.929 -9.965 -0.398 1.00 0.00 C ATOM 83 C GLN A 9 -7.135 -8.777 0.545 1.00 0.00 C ATOM 84 O GLN A 9 -7.698 -8.931 1.628 1.00 0.00 O ATOM 85 CB GLN A 9 -8.040 -10.030 -1.448 1.00 0.00 C ATOM 86 CG GLN A 9 -8.036 -11.380 -2.167 1.00 0.00 C ATOM 87 CD GLN A 9 -9.340 -12.140 -1.914 1.00 0.00 C ATOM 88 OE1 GLN A 9 -10.426 -11.586 -1.937 1.00 0.00 O ATOM 89 NE2 GLN A 9 -9.172 -13.437 -1.671 1.00 0.00 N ATOM 0 H GLN A 9 -7.758 -11.627 0.573 1.00 0.00 H new ATOM 0 HA GLN A 9 -5.984 -9.827 -0.924 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.007 -9.871 -0.970 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -7.907 -9.227 -2.173 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -7.903 -11.225 -3.238 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.191 -11.976 -1.824 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.234 -13.838 -1.667 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.981 -14.031 -1.489 1.00 0.00 H new ATOM 98 N MET A 10 -6.668 -7.621 0.099 1.00 0.00 N ATOM 99 CA MET A 10 -6.794 -6.408 0.890 1.00 0.00 C ATOM 100 C MET A 10 -6.869 -5.172 -0.010 1.00 0.00 C ATOM 101 O MET A 10 -6.050 -5.006 -0.912 1.00 0.00 O ATOM 102 CB MET A 10 -5.592 -6.283 1.828 1.00 0.00 C ATOM 103 CG MET A 10 -5.638 -4.966 2.606 1.00 0.00 C ATOM 104 SD MET A 10 -5.136 -5.238 4.297 1.00 0.00 S ATOM 105 CE MET A 10 -5.621 -3.679 5.018 1.00 0.00 C ATOM 0 H MET A 10 -6.202 -7.498 -0.800 1.00 0.00 H new ATOM 0 HA MET A 10 -7.715 -6.469 1.470 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.581 -7.121 2.525 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.669 -6.337 1.251 1.00 0.00 H new ATOM 0 HG2 MET A 10 -4.981 -4.234 2.136 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.647 -4.553 2.579 1.00 0.00 H new ATOM 0 HE1 MET A 10 -4.815 -3.303 5.648 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.828 -2.960 4.225 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.517 -3.821 5.622 1.00 0.00 H new ATOM 115 N GLU A 11 -7.861 -4.338 0.267 1.00 0.00 N ATOM 116 CA GLU A 11 -8.054 -3.123 -0.506 1.00 0.00 C ATOM 117 C GLU A 11 -8.547 -1.991 0.399 1.00 0.00 C ATOM 118 O GLU A 11 -9.577 -2.123 1.058 1.00 0.00 O ATOM 119 CB GLU A 11 -9.023 -3.359 -1.666 1.00 0.00 C ATOM 120 CG GLU A 11 -10.321 -4.004 -1.174 1.00 0.00 C ATOM 121 CD GLU A 11 -11.407 -3.938 -2.249 1.00 0.00 C ATOM 122 OE1 GLU A 11 -11.068 -4.228 -3.417 1.00 0.00 O ATOM 123 OE2 GLU A 11 -12.552 -3.601 -1.879 1.00 0.00 O ATOM 0 H GLU A 11 -8.539 -4.480 1.016 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.094 -2.830 -0.932 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.247 -2.411 -2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.554 -4.001 -2.412 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.135 -5.043 -0.903 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.665 -3.496 -0.273 1.00 0.00 H new ATOM 130 N GLY A 12 -7.788 -0.905 0.401 1.00 0.00 N ATOM 131 CA GLY A 12 -8.135 0.248 1.213 1.00 0.00 C ATOM 132 C GLY A 12 -7.348 1.485 0.774 1.00 0.00 C ATOM 133 O GLY A 12 -6.250 1.366 0.233 1.00 0.00 O ATOM 0 H GLY A 12 -6.934 -0.800 -0.147 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.204 0.445 1.133 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.928 0.034 2.262 1.00 0.00 H new ATOM 137 N MET A 13 -7.941 2.643 1.024 1.00 0.00 N ATOM 138 CA MET A 13 -7.309 3.901 0.661 1.00 0.00 C ATOM 139 C MET A 13 -5.945 4.044 1.339 1.00 0.00 C ATOM 140 O MET A 13 -5.853 4.041 2.566 1.00 0.00 O ATOM 141 CB MET A 13 -8.211 5.064 1.077 1.00 0.00 C ATOM 142 CG MET A 13 -7.903 6.318 0.256 1.00 0.00 C ATOM 143 SD MET A 13 -8.954 6.377 -1.185 1.00 0.00 S ATOM 144 CE MET A 13 -7.742 6.096 -2.465 1.00 0.00 C ATOM 0 H MET A 13 -8.852 2.737 1.473 1.00 0.00 H new ATOM 0 HA MET A 13 -7.160 3.914 -0.419 1.00 0.00 H new ATOM 0 HB2 MET A 13 -9.256 4.785 0.942 1.00 0.00 H new ATOM 0 HB3 MET A 13 -8.072 5.276 2.137 1.00 0.00 H new ATOM 0 HG2 MET A 13 -8.057 7.209 0.865 1.00 0.00 H new ATOM 0 HG3 MET A 13 -6.856 6.316 -0.047 1.00 0.00 H new ATOM 0 HE1 MET A 13 -8.097 6.524 -3.403 1.00 0.00 H new ATOM 0 HE2 MET A 13 -6.800 6.568 -2.184 1.00 0.00 H new ATOM 0 HE3 MET A 13 -7.588 5.024 -2.591 1.00 0.00 H new ATOM 154 N LEU A 14 -4.918 4.167 0.510 1.00 0.00 N ATOM 155 CA LEU A 14 -3.563 4.311 1.014 1.00 0.00 C ATOM 156 C LEU A 14 -2.820 5.354 0.176 1.00 0.00 C ATOM 157 O LEU A 14 -3.143 5.561 -0.993 1.00 0.00 O ATOM 158 CB LEU A 14 -2.863 2.952 1.066 1.00 0.00 C ATOM 159 CG LEU A 14 -2.658 2.355 2.459 1.00 0.00 C ATOM 160 CD1 LEU A 14 -3.968 2.348 3.251 1.00 0.00 C ATOM 161 CD2 LEU A 14 -2.034 0.961 2.373 1.00 0.00 C ATOM 0 H LEU A 14 -4.997 4.170 -0.507 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.576 4.676 2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.441 2.245 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.889 3.049 0.587 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.956 2.989 3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.794 1.918 4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.333 3.369 3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.710 1.751 2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.899 0.560 3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.691 0.303 1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.066 1.026 1.875 1.00 0.00 H new ATOM 173 N CYS A 15 -1.840 5.984 0.807 1.00 0.00 N ATOM 174 CA CYS A 15 -1.049 7.000 0.134 1.00 0.00 C ATOM 175 C CYS A 15 0.206 6.335 -0.434 1.00 0.00 C ATOM 176 O CYS A 15 1.193 6.152 0.278 1.00 0.00 O ATOM 177 CB CYS A 15 -0.706 8.161 1.069 1.00 0.00 C ATOM 178 SG CYS A 15 -1.177 9.750 0.294 1.00 0.00 S ATOM 0 H CYS A 15 -1.576 5.811 1.777 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.629 7.434 -0.681 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.229 8.041 2.018 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.361 8.157 1.290 1.00 0.00 H new ATOM 0 HG CYS A 15 -0.883 10.729 1.098 1.00 0.00 H new ATOM 184 N ARG A 16 0.128 5.990 -1.711 1.00 0.00 N ATOM 185 CA ARG A 16 1.245 5.348 -2.382 1.00 0.00 C ATOM 186 C ARG A 16 2.177 6.401 -2.987 1.00 0.00 C ATOM 187 O ARG A 16 1.745 7.235 -3.781 1.00 0.00 O ATOM 188 CB ARG A 16 0.758 4.412 -3.490 1.00 0.00 C ATOM 189 CG ARG A 16 1.933 3.695 -4.158 1.00 0.00 C ATOM 190 CD ARG A 16 1.758 3.654 -5.678 1.00 0.00 C ATOM 191 NE ARG A 16 2.058 4.982 -6.258 1.00 0.00 N ATOM 192 CZ ARG A 16 1.679 5.369 -7.483 1.00 0.00 C ATOM 193 NH1 ARG A 16 0.984 4.532 -8.266 1.00 0.00 N ATOM 194 NH2 ARG A 16 1.995 6.594 -7.927 1.00 0.00 N ATOM 0 H ARG A 16 -0.692 6.143 -2.298 1.00 0.00 H new ATOM 0 HA ARG A 16 1.786 4.762 -1.639 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.068 3.678 -3.074 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.204 4.982 -4.236 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.864 4.205 -3.909 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.012 2.680 -3.770 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.420 2.902 -6.108 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.738 3.361 -5.927 1.00 0.00 H new ATOM 0 HE ARG A 16 2.586 5.644 -5.689 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.743 3.600 -7.929 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.696 4.827 -9.199 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.524 7.231 -7.332 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.706 6.889 -8.860 1.00 0.00 H new ATOM 208 N LYS A 17 3.438 6.328 -2.587 1.00 0.00 N ATOM 209 CA LYS A 17 4.434 7.264 -3.079 1.00 0.00 C ATOM 210 C LYS A 17 5.597 6.486 -3.699 1.00 0.00 C ATOM 211 O LYS A 17 6.518 6.073 -2.995 1.00 0.00 O ATOM 212 CB LYS A 17 4.861 8.226 -1.969 1.00 0.00 C ATOM 213 CG LYS A 17 5.831 9.282 -2.501 1.00 0.00 C ATOM 214 CD LYS A 17 6.827 9.706 -1.419 1.00 0.00 C ATOM 215 CE LYS A 17 8.250 9.768 -1.978 1.00 0.00 C ATOM 216 NZ LYS A 17 9.140 10.499 -1.048 1.00 0.00 N ATOM 0 H LYS A 17 3.793 5.635 -1.928 1.00 0.00 H new ATOM 0 HA LYS A 17 4.012 7.889 -3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.982 8.714 -1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.333 7.668 -1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.370 8.885 -3.361 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.273 10.152 -2.848 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.545 10.681 -1.022 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.789 9.001 -0.588 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.629 8.758 -2.136 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.244 10.262 -2.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.085 10.064 -1.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.213 11.493 -1.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.748 10.455 -0.086 1.00 0.00 H new ATOM 230 N GLN A 18 5.517 6.309 -5.010 1.00 0.00 N ATOM 231 CA GLN A 18 6.552 5.588 -5.732 1.00 0.00 C ATOM 232 C GLN A 18 7.897 6.302 -5.586 1.00 0.00 C ATOM 233 O GLN A 18 8.091 7.386 -6.133 1.00 0.00 O ATOM 234 CB GLN A 18 6.176 5.421 -7.206 1.00 0.00 C ATOM 235 CG GLN A 18 7.315 4.766 -7.991 1.00 0.00 C ATOM 236 CD GLN A 18 6.777 4.005 -9.204 1.00 0.00 C ATOM 237 OE1 GLN A 18 5.783 4.373 -9.809 1.00 0.00 O ATOM 238 NE2 GLN A 18 7.487 2.927 -9.525 1.00 0.00 N ATOM 0 H GLN A 18 4.752 6.652 -5.591 1.00 0.00 H new ATOM 0 HA GLN A 18 6.644 4.592 -5.299 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.275 4.813 -7.289 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.944 6.394 -7.638 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.021 5.529 -8.319 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.863 4.083 -7.342 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.309 2.676 -8.976 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.210 2.352 -10.320 1.00 0.00 H new ATOM 247 N GLU A 19 8.791 5.664 -4.845 1.00 0.00 N ATOM 248 CA GLU A 19 10.113 6.225 -4.620 1.00 0.00 C ATOM 249 C GLU A 19 11.072 5.786 -5.728 1.00 0.00 C ATOM 250 O GLU A 19 11.738 6.617 -6.344 1.00 0.00 O ATOM 251 CB GLU A 19 10.649 5.829 -3.243 1.00 0.00 C ATOM 252 CG GLU A 19 9.780 6.413 -2.127 1.00 0.00 C ATOM 253 CD GLU A 19 10.529 7.507 -1.364 1.00 0.00 C ATOM 254 OE1 GLU A 19 10.815 8.547 -1.996 1.00 0.00 O ATOM 255 OE2 GLU A 19 10.799 7.279 -0.165 1.00 0.00 O ATOM 0 H GLU A 19 8.626 4.765 -4.393 1.00 0.00 H new ATOM 0 HA GLU A 19 10.034 7.312 -4.645 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.675 4.743 -3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.674 6.182 -3.133 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.864 6.823 -2.552 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.486 5.621 -1.438 1.00 0.00 H new ATOM 262 N MET A 20 11.111 4.480 -5.950 1.00 0.00 N ATOM 263 CA MET A 20 11.977 3.920 -6.973 1.00 0.00 C ATOM 264 C MET A 20 11.179 3.063 -7.958 1.00 0.00 C ATOM 265 O MET A 20 10.048 2.673 -7.672 1.00 0.00 O ATOM 266 CB MET A 20 13.061 3.065 -6.314 1.00 0.00 C ATOM 267 CG MET A 20 14.007 3.928 -5.477 1.00 0.00 C ATOM 268 SD MET A 20 15.024 4.932 -6.547 1.00 0.00 S ATOM 269 CE MET A 20 16.325 3.768 -6.920 1.00 0.00 C ATOM 0 H MET A 20 10.556 3.794 -5.438 1.00 0.00 H new ATOM 0 HA MET A 20 12.435 4.742 -7.523 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.597 2.308 -5.681 1.00 0.00 H new ATOM 0 HB3 MET A 20 13.628 2.536 -7.080 1.00 0.00 H new ATOM 0 HG2 MET A 20 13.432 4.565 -4.805 1.00 0.00 H new ATOM 0 HG3 MET A 20 14.637 3.293 -4.854 1.00 0.00 H new ATOM 0 HE1 MET A 20 17.004 4.204 -7.652 1.00 0.00 H new ATOM 0 HE2 MET A 20 16.875 3.533 -6.009 1.00 0.00 H new ATOM 0 HE3 MET A 20 15.891 2.855 -7.327 1.00 0.00 H new ATOM 279 N GLU A 21 11.799 2.796 -9.098 1.00 0.00 N ATOM 280 CA GLU A 21 11.161 1.992 -10.127 1.00 0.00 C ATOM 281 C GLU A 21 11.926 0.682 -10.328 1.00 0.00 C ATOM 282 O GLU A 21 11.431 -0.236 -10.980 1.00 0.00 O ATOM 283 CB GLU A 21 11.050 2.770 -11.440 1.00 0.00 C ATOM 284 CG GLU A 21 10.836 1.822 -12.622 1.00 0.00 C ATOM 285 CD GLU A 21 10.221 2.561 -13.812 1.00 0.00 C ATOM 286 OE1 GLU A 21 10.658 3.706 -14.056 1.00 0.00 O ATOM 287 OE2 GLU A 21 9.329 1.963 -14.451 1.00 0.00 O ATOM 0 H GLU A 21 12.737 3.122 -9.332 1.00 0.00 H new ATOM 0 HA GLU A 21 10.150 1.752 -9.799 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.221 3.475 -11.380 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.956 3.355 -11.598 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.788 1.381 -12.916 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.184 1.002 -12.322 1.00 0.00 H new ATOM 294 N ALA A 22 13.120 0.637 -9.755 1.00 0.00 N ATOM 295 CA ALA A 22 13.958 -0.545 -9.864 1.00 0.00 C ATOM 296 C ALA A 22 15.319 -0.260 -9.225 1.00 0.00 C ATOM 297 O ALA A 22 15.601 0.872 -8.836 1.00 0.00 O ATOM 298 CB ALA A 22 14.077 -0.953 -11.333 1.00 0.00 C ATOM 0 H ALA A 22 13.527 1.400 -9.214 1.00 0.00 H new ATOM 0 HA ALA A 22 13.512 -1.383 -9.329 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.706 -1.840 -11.415 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.086 -1.173 -11.731 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.524 -0.138 -11.902 1.00 0.00 H new ATOM 304 N PHE A 23 16.125 -1.307 -9.137 1.00 0.00 N ATOM 305 CA PHE A 23 17.450 -1.184 -8.552 1.00 0.00 C ATOM 306 C PHE A 23 18.192 0.025 -9.125 1.00 0.00 C ATOM 307 O PHE A 23 18.444 0.090 -10.327 1.00 0.00 O ATOM 308 CB PHE A 23 18.218 -2.457 -8.912 1.00 0.00 C ATOM 309 CG PHE A 23 17.527 -3.748 -8.468 1.00 0.00 C ATOM 310 CD1 PHE A 23 17.280 -3.968 -7.149 1.00 0.00 C ATOM 311 CD2 PHE A 23 17.160 -4.676 -9.392 1.00 0.00 C ATOM 312 CE1 PHE A 23 16.639 -5.165 -6.736 1.00 0.00 C ATOM 313 CE2 PHE A 23 16.519 -5.874 -8.979 1.00 0.00 C ATOM 314 CZ PHE A 23 16.272 -6.093 -7.660 1.00 0.00 C ATOM 0 H PHE A 23 15.887 -2.244 -9.461 1.00 0.00 H new ATOM 0 HA PHE A 23 17.370 -1.049 -7.473 1.00 0.00 H new ATOM 0 HB2 PHE A 23 18.364 -2.488 -9.992 1.00 0.00 H new ATOM 0 HB3 PHE A 23 19.208 -2.412 -8.458 1.00 0.00 H new ATOM 0 HD1 PHE A 23 17.572 -3.231 -6.415 1.00 0.00 H new ATOM 0 HD2 PHE A 23 17.356 -4.502 -10.440 1.00 0.00 H new ATOM 0 HE1 PHE A 23 16.443 -5.339 -5.688 1.00 0.00 H new ATOM 0 HE2 PHE A 23 16.228 -6.611 -9.713 1.00 0.00 H new ATOM 0 HZ PHE A 23 15.784 -7.004 -7.346 1.00 0.00 H new ATOM 324 N GLY A 24 18.521 0.952 -8.238 1.00 0.00 N ATOM 325 CA GLY A 24 19.230 2.155 -8.640 1.00 0.00 C ATOM 326 C GLY A 24 18.430 2.939 -9.682 1.00 0.00 C ATOM 327 O GLY A 24 18.965 3.833 -10.337 1.00 0.00 O ATOM 0 H GLY A 24 18.310 0.894 -7.242 1.00 0.00 H new ATOM 0 HA2 GLY A 24 19.412 2.783 -7.768 1.00 0.00 H new ATOM 0 HA3 GLY A 24 20.204 1.888 -9.049 1.00 0.00 H new ATOM 331 N LYS A 25 17.161 2.576 -9.804 1.00 0.00 N ATOM 332 CA LYS A 25 16.283 3.235 -10.756 1.00 0.00 C ATOM 333 C LYS A 25 15.403 4.245 -10.017 1.00 0.00 C ATOM 334 O LYS A 25 14.665 3.880 -9.103 1.00 0.00 O ATOM 335 CB LYS A 25 15.490 2.200 -11.558 1.00 0.00 C ATOM 336 CG LYS A 25 14.366 2.867 -12.353 1.00 0.00 C ATOM 337 CD LYS A 25 14.776 3.076 -13.812 1.00 0.00 C ATOM 338 CE LYS A 25 15.476 4.423 -13.998 1.00 0.00 C ATOM 339 NZ LYS A 25 16.582 4.302 -14.974 1.00 0.00 N ATOM 0 H LYS A 25 16.720 1.834 -9.260 1.00 0.00 H new ATOM 0 HA LYS A 25 16.866 3.794 -11.488 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.158 1.672 -12.239 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.070 1.455 -10.882 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.469 2.250 -12.309 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.116 3.827 -11.901 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.440 2.271 -14.126 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.894 3.029 -14.451 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.759 5.168 -14.343 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.864 4.773 -13.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.047 5.225 -15.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.274 3.606 -14.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 16.203 3.989 -15.891 1.00 0.00 H new ATOM 353 N LYS A 26 15.512 5.496 -10.440 1.00 0.00 N ATOM 354 CA LYS A 26 14.736 6.562 -9.829 1.00 0.00 C ATOM 355 C LYS A 26 13.394 6.690 -10.554 1.00 0.00 C ATOM 356 O LYS A 26 13.339 6.623 -11.781 1.00 0.00 O ATOM 357 CB LYS A 26 15.543 7.862 -9.797 1.00 0.00 C ATOM 358 CG LYS A 26 15.649 8.476 -11.194 1.00 0.00 C ATOM 359 CD LYS A 26 17.112 8.641 -11.611 1.00 0.00 C ATOM 360 CE LYS A 26 17.244 9.633 -12.768 1.00 0.00 C ATOM 361 NZ LYS A 26 18.624 9.623 -13.304 1.00 0.00 N ATOM 0 H LYS A 26 16.126 5.795 -11.198 1.00 0.00 H new ATOM 0 HA LYS A 26 14.516 6.324 -8.788 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.069 8.572 -9.119 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.541 7.665 -9.406 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.131 7.842 -11.914 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.152 9.446 -11.208 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.699 8.988 -10.761 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.521 7.675 -11.907 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.539 9.375 -13.558 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.987 10.636 -12.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.697 10.302 -14.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 19.291 9.891 -12.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.856 8.669 -13.649 1.00 0.00 H new ATOM 375 N ALA A 27 12.346 6.872 -9.764 1.00 0.00 N ATOM 376 CA ALA A 27 11.009 7.010 -10.315 1.00 0.00 C ATOM 377 C ALA A 27 10.850 8.409 -10.913 1.00 0.00 C ATOM 378 O ALA A 27 11.296 9.393 -10.325 1.00 0.00 O ATOM 379 CB ALA A 27 9.975 6.720 -9.225 1.00 0.00 C ATOM 0 H ALA A 27 12.396 6.927 -8.747 1.00 0.00 H new ATOM 0 HA ALA A 27 10.848 6.289 -11.117 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.972 6.824 -9.638 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.112 5.704 -8.855 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.104 7.426 -8.404 1.00 0.00 H new ATOM 385 N ALA A 28 10.213 8.453 -12.073 1.00 0.00 N ATOM 386 CA ALA A 28 9.989 9.716 -12.757 1.00 0.00 C ATOM 387 C ALA A 28 9.639 10.793 -11.728 1.00 0.00 C ATOM 388 O ALA A 28 10.369 11.770 -11.574 1.00 0.00 O ATOM 389 CB ALA A 28 8.895 9.539 -13.811 1.00 0.00 C ATOM 0 H ALA A 28 9.844 7.634 -12.557 1.00 0.00 H new ATOM 0 HA ALA A 28 10.892 10.037 -13.276 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.727 10.486 -14.324 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.205 8.785 -14.534 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.972 9.220 -13.327 1.00 0.00 H new ATOM 395 N ASN A 29 8.521 10.577 -11.050 1.00 0.00 N ATOM 396 CA ASN A 29 8.065 11.517 -10.040 1.00 0.00 C ATOM 397 C ASN A 29 7.666 10.749 -8.778 1.00 0.00 C ATOM 398 O ASN A 29 6.764 9.914 -8.814 1.00 0.00 O ATOM 399 CB ASN A 29 6.841 12.296 -10.526 1.00 0.00 C ATOM 400 CG ASN A 29 6.771 13.674 -9.865 1.00 0.00 C ATOM 401 OD1 ASN A 29 7.674 14.102 -9.165 1.00 0.00 O ATOM 402 ND2 ASN A 29 5.651 14.343 -10.126 1.00 0.00 N ATOM 0 H ASN A 29 7.918 9.765 -11.180 1.00 0.00 H new ATOM 0 HA ASN A 29 8.878 12.213 -9.835 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.884 12.410 -11.609 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.935 11.734 -10.301 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.509 15.273 -9.732 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.935 13.926 -10.721 1.00 0.00 H new ATOM 409 N ARG A 30 8.358 11.059 -7.692 1.00 0.00 N ATOM 410 CA ARG A 30 8.088 10.409 -6.421 1.00 0.00 C ATOM 411 C ARG A 30 7.302 11.347 -5.502 1.00 0.00 C ATOM 412 O ARG A 30 7.812 11.781 -4.470 1.00 0.00 O ATOM 413 CB ARG A 30 9.387 9.995 -5.726 1.00 0.00 C ATOM 414 CG ARG A 30 10.276 9.179 -6.667 1.00 0.00 C ATOM 415 CD ARG A 30 11.750 9.543 -6.481 1.00 0.00 C ATOM 416 NE ARG A 30 12.307 8.817 -5.318 1.00 0.00 N ATOM 417 CZ ARG A 30 13.517 9.055 -4.792 1.00 0.00 C ATOM 418 NH1 ARG A 30 14.303 10.001 -5.324 1.00 0.00 N ATOM 419 NH2 ARG A 30 13.940 8.347 -3.736 1.00 0.00 N ATOM 0 H ARG A 30 9.106 11.752 -7.666 1.00 0.00 H new ATOM 0 HA ARG A 30 7.498 9.515 -6.625 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.924 10.883 -5.392 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.157 9.408 -4.837 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.134 8.115 -6.476 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.981 9.360 -7.700 1.00 0.00 H new ATOM 0 HD2 ARG A 30 12.312 9.291 -7.381 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.852 10.618 -6.332 1.00 0.00 H new ATOM 0 HE ARG A 30 11.734 8.090 -4.890 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.980 10.539 -6.128 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.224 10.183 -4.925 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.341 7.627 -3.332 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.861 8.528 -3.336 1.00 0.00 H new ATOM 433 N SER A 31 6.074 11.631 -5.909 1.00 0.00 N ATOM 434 CA SER A 31 5.213 12.509 -5.135 1.00 0.00 C ATOM 435 C SER A 31 4.159 11.686 -4.392 1.00 0.00 C ATOM 436 O SER A 31 3.934 10.521 -4.715 1.00 0.00 O ATOM 437 CB SER A 31 4.539 13.550 -6.031 1.00 0.00 C ATOM 438 OG SER A 31 5.487 14.289 -6.797 1.00 0.00 O ATOM 0 H SER A 31 5.654 11.269 -6.765 1.00 0.00 H new ATOM 0 HA SER A 31 5.829 13.039 -4.409 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.840 13.052 -6.702 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.957 14.236 -5.415 1.00 0.00 H new ATOM 0 HG SER A 31 5.017 14.942 -7.357 1.00 0.00 H new ATOM 444 N TRP A 32 3.540 12.325 -3.409 1.00 0.00 N ATOM 445 CA TRP A 32 2.515 11.666 -2.618 1.00 0.00 C ATOM 446 C TRP A 32 1.187 11.789 -3.367 1.00 0.00 C ATOM 447 O TRP A 32 0.792 12.885 -3.762 1.00 0.00 O ATOM 448 CB TRP A 32 2.459 12.245 -1.203 1.00 0.00 C ATOM 449 CG TRP A 32 3.577 11.751 -0.283 1.00 0.00 C ATOM 450 CD1 TRP A 32 4.741 12.352 -0.003 1.00 0.00 C ATOM 451 CD2 TRP A 32 3.589 10.521 0.472 1.00 0.00 C ATOM 452 NE1 TRP A 32 5.500 11.603 0.873 1.00 0.00 N ATOM 453 CE2 TRP A 32 4.777 10.454 1.171 1.00 0.00 C ATOM 454 CE3 TRP A 32 2.628 9.499 0.561 1.00 0.00 C ATOM 455 CZ2 TRP A 32 5.114 9.384 2.008 1.00 0.00 C ATOM 456 CZ3 TRP A 32 2.980 8.436 1.401 1.00 0.00 C ATOM 457 CH2 TRP A 32 4.171 8.354 2.112 1.00 0.00 C ATOM 0 H TRP A 32 3.729 13.291 -3.143 1.00 0.00 H new ATOM 0 HA TRP A 32 2.746 10.608 -2.491 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.507 13.332 -1.264 1.00 0.00 H new ATOM 0 HB3 TRP A 32 1.497 11.993 -0.756 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.047 13.304 -0.412 1.00 0.00 H new ATOM 0 HE1 TRP A 32 6.422 11.848 1.235 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.692 9.531 0.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.051 9.354 2.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.277 7.623 1.504 1.00 0.00 H new ATOM 0 HH2 TRP A 32 4.369 7.499 2.742 1.00 0.00 H new ATOM 468 N GLN A 33 0.535 10.649 -3.541 1.00 0.00 N ATOM 469 CA GLN A 33 -0.741 10.615 -4.236 1.00 0.00 C ATOM 470 C GLN A 33 -1.632 9.515 -3.656 1.00 0.00 C ATOM 471 O GLN A 33 -1.240 8.350 -3.615 1.00 0.00 O ATOM 472 CB GLN A 33 -0.540 10.422 -5.740 1.00 0.00 C ATOM 473 CG GLN A 33 0.095 11.662 -6.372 1.00 0.00 C ATOM 474 CD GLN A 33 0.357 11.444 -7.864 1.00 0.00 C ATOM 475 OE1 GLN A 33 -0.549 11.403 -8.680 1.00 0.00 O ATOM 476 NE2 GLN A 33 1.643 11.307 -8.173 1.00 0.00 N ATOM 0 H GLN A 33 0.866 9.742 -3.213 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.239 11.573 -4.089 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.095 9.554 -5.917 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.499 10.218 -6.215 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.562 12.521 -6.236 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.031 11.894 -5.865 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.351 11.352 -7.440 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.921 11.157 -9.143 1.00 0.00 H new ATOM 485 N ASN A 34 -2.816 9.924 -3.222 1.00 0.00 N ATOM 486 CA ASN A 34 -3.766 8.988 -2.647 1.00 0.00 C ATOM 487 C ASN A 34 -4.131 7.931 -3.691 1.00 0.00 C ATOM 488 O ASN A 34 -4.915 8.198 -4.601 1.00 0.00 O ATOM 489 CB ASN A 34 -5.053 9.699 -2.224 1.00 0.00 C ATOM 490 CG ASN A 34 -4.970 10.164 -0.769 1.00 0.00 C ATOM 491 OD1 ASN A 34 -4.762 11.329 -0.472 1.00 0.00 O ATOM 492 ND2 ASN A 34 -5.144 9.190 0.120 1.00 0.00 N ATOM 0 H ASN A 34 -3.138 10.891 -3.257 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.302 8.532 -1.773 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.230 10.556 -2.874 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.902 9.026 -2.347 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -5.107 9.398 1.118 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.314 8.235 -0.196 1.00 0.00 H new ATOM 499 N VAL A 35 -3.545 6.755 -3.526 1.00 0.00 N ATOM 500 CA VAL A 35 -3.799 5.657 -4.444 1.00 0.00 C ATOM 501 C VAL A 35 -4.375 4.472 -3.667 1.00 0.00 C ATOM 502 O VAL A 35 -3.745 3.968 -2.738 1.00 0.00 O ATOM 503 CB VAL A 35 -2.520 5.306 -5.207 1.00 0.00 C ATOM 504 CG1 VAL A 35 -2.785 4.218 -6.249 1.00 0.00 C ATOM 505 CG2 VAL A 35 -1.911 6.551 -5.856 1.00 0.00 C ATOM 0 H VAL A 35 -2.895 6.538 -2.771 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.538 5.947 -5.191 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.798 4.914 -4.490 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.860 3.987 -6.777 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.153 3.320 -5.752 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.531 4.570 -6.961 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.003 6.275 -6.392 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.627 6.985 -6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.669 7.282 -5.085 1.00 0.00 H new ATOM 515 N TYR A 36 -5.567 4.060 -4.075 1.00 0.00 N ATOM 516 CA TYR A 36 -6.235 2.944 -3.429 1.00 0.00 C ATOM 517 C TYR A 36 -5.520 1.626 -3.734 1.00 0.00 C ATOM 518 O TYR A 36 -5.540 1.153 -4.870 1.00 0.00 O ATOM 519 CB TYR A 36 -7.644 2.895 -4.022 1.00 0.00 C ATOM 520 CG TYR A 36 -8.643 2.090 -3.189 1.00 0.00 C ATOM 521 CD1 TYR A 36 -9.193 2.641 -2.049 1.00 0.00 C ATOM 522 CD2 TYR A 36 -8.995 0.813 -3.576 1.00 0.00 C ATOM 523 CE1 TYR A 36 -10.133 1.883 -1.264 1.00 0.00 C ATOM 524 CE2 TYR A 36 -9.935 0.055 -2.791 1.00 0.00 C ATOM 525 CZ TYR A 36 -10.458 0.628 -1.674 1.00 0.00 C ATOM 526 OH TYR A 36 -11.346 -0.087 -0.933 1.00 0.00 O ATOM 0 H TYR A 36 -6.087 4.480 -4.846 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.241 3.075 -2.347 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.016 3.914 -4.132 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.591 2.465 -5.022 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.918 3.641 -1.746 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.565 0.382 -4.468 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.570 2.302 -0.370 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -10.218 -0.946 -3.083 1.00 0.00 H new ATOM 0 HH TYR A 36 -10.860 -0.696 -0.338 1.00 0.00 H new ATOM 536 N CYS A 37 -4.906 1.069 -2.700 1.00 0.00 N ATOM 537 CA CYS A 37 -4.187 -0.185 -2.843 1.00 0.00 C ATOM 538 C CYS A 37 -5.210 -1.318 -2.936 1.00 0.00 C ATOM 539 O CYS A 37 -6.111 -1.415 -2.104 1.00 0.00 O ATOM 540 CB CYS A 37 -3.196 -0.402 -1.698 1.00 0.00 C ATOM 541 SG CYS A 37 -1.481 -0.327 -2.332 1.00 0.00 S ATOM 0 H CYS A 37 -4.892 1.464 -1.760 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.589 -0.163 -3.754 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.342 0.358 -0.931 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.377 -1.369 -1.228 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.859 0.674 -1.784 1.00 0.00 H new ATOM 547 N VAL A 38 -5.037 -2.148 -3.954 1.00 0.00 N ATOM 548 CA VAL A 38 -5.934 -3.271 -4.166 1.00 0.00 C ATOM 549 C VAL A 38 -5.116 -4.558 -4.280 1.00 0.00 C ATOM 550 O VAL A 38 -4.475 -4.802 -5.301 1.00 0.00 O ATOM 551 CB VAL A 38 -6.816 -3.013 -5.389 1.00 0.00 C ATOM 552 CG1 VAL A 38 -7.552 -4.285 -5.813 1.00 0.00 C ATOM 553 CG2 VAL A 38 -7.801 -1.872 -5.125 1.00 0.00 C ATOM 0 H VAL A 38 -4.288 -2.065 -4.642 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.606 -3.388 -3.316 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.167 -2.712 -6.211 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.172 -4.073 -6.684 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.826 -5.059 -6.063 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.183 -4.630 -4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.416 -1.710 -6.010 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.441 -2.132 -4.282 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.249 -0.961 -4.894 1.00 0.00 H new ATOM 563 N LEU A 39 -5.163 -5.347 -3.217 1.00 0.00 N ATOM 564 CA LEU A 39 -4.433 -6.604 -3.184 1.00 0.00 C ATOM 565 C LEU A 39 -5.404 -7.759 -3.434 1.00 0.00 C ATOM 566 O LEU A 39 -6.552 -7.716 -2.993 1.00 0.00 O ATOM 567 CB LEU A 39 -3.646 -6.733 -1.879 1.00 0.00 C ATOM 568 CG LEU A 39 -2.747 -7.965 -1.757 1.00 0.00 C ATOM 569 CD1 LEU A 39 -1.273 -7.562 -1.672 1.00 0.00 C ATOM 570 CD2 LEU A 39 -3.172 -8.838 -0.574 1.00 0.00 C ATOM 0 H LEU A 39 -5.695 -5.141 -2.372 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.690 -6.634 -3.981 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.027 -5.843 -1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.354 -6.741 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.865 -8.565 -2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.656 -8.456 -1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.993 -7.013 -2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.119 -6.929 -0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.517 -9.707 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.101 -8.261 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.201 -9.169 -0.717 1.00 0.00 H new ATOM 582 N ARG A 40 -4.909 -8.764 -4.140 1.00 0.00 N ATOM 583 CA ARG A 40 -5.718 -9.930 -4.454 1.00 0.00 C ATOM 584 C ARG A 40 -4.922 -11.212 -4.205 1.00 0.00 C ATOM 585 O ARG A 40 -4.073 -11.257 -3.316 1.00 0.00 O ATOM 586 CB ARG A 40 -6.184 -9.901 -5.911 1.00 0.00 C ATOM 587 CG ARG A 40 -7.598 -10.469 -6.046 1.00 0.00 C ATOM 588 CD ARG A 40 -8.648 -9.369 -5.884 1.00 0.00 C ATOM 589 NE ARG A 40 -9.973 -9.971 -5.611 1.00 0.00 N ATOM 590 CZ ARG A 40 -11.118 -9.276 -5.563 1.00 0.00 C ATOM 591 NH1 ARG A 40 -11.107 -7.952 -5.769 1.00 0.00 N ATOM 592 NH2 ARG A 40 -12.273 -9.905 -5.310 1.00 0.00 N ATOM 0 H ARG A 40 -3.957 -8.796 -4.504 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.593 -9.911 -3.804 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.163 -8.877 -6.283 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.496 -10.479 -6.528 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.711 -10.944 -7.020 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.757 -11.242 -5.294 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.367 -8.703 -5.068 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.694 -8.763 -6.789 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.017 -10.977 -5.449 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.227 -7.473 -5.962 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.978 -7.423 -5.733 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.281 -10.913 -5.154 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.144 -9.376 -5.273 1.00 0.00 H new ATOM 606 N ARG A 41 -5.225 -12.224 -5.005 1.00 0.00 N ATOM 607 CA ARG A 41 -4.548 -13.503 -4.882 1.00 0.00 C ATOM 608 C ARG A 41 -3.070 -13.360 -5.253 1.00 0.00 C ATOM 609 O ARG A 41 -2.631 -13.875 -6.279 1.00 0.00 O ATOM 610 CB ARG A 41 -5.193 -14.556 -5.786 1.00 0.00 C ATOM 611 CG ARG A 41 -6.631 -14.845 -5.351 1.00 0.00 C ATOM 612 CD ARG A 41 -7.095 -16.210 -5.862 1.00 0.00 C ATOM 613 NE ARG A 41 -8.282 -16.049 -6.731 1.00 0.00 N ATOM 614 CZ ARG A 41 -9.151 -17.031 -7.006 1.00 0.00 C ATOM 615 NH1 ARG A 41 -8.970 -18.251 -6.482 1.00 0.00 N ATOM 616 NH2 ARG A 41 -10.200 -16.794 -7.805 1.00 0.00 N ATOM 0 H ARG A 41 -5.930 -12.184 -5.741 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.636 -13.826 -3.845 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.185 -14.208 -6.819 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.608 -15.475 -5.755 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.698 -14.818 -4.263 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.293 -14.067 -5.731 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.290 -16.692 -6.417 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.336 -16.860 -5.021 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.449 -15.133 -7.147 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.171 -18.432 -5.874 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.631 -18.999 -6.691 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.337 -15.866 -8.204 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.861 -17.542 -8.014 1.00 0.00 H new ATOM 630 N GLY A 42 -2.344 -12.657 -4.396 1.00 0.00 N ATOM 631 CA GLY A 42 -0.925 -12.439 -4.620 1.00 0.00 C ATOM 632 C GLY A 42 -0.697 -11.354 -5.675 1.00 0.00 C ATOM 633 O GLY A 42 -0.022 -11.590 -6.676 1.00 0.00 O ATOM 0 H GLY A 42 -2.712 -12.231 -3.545 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.446 -12.149 -3.685 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.457 -13.369 -4.943 1.00 0.00 H new ATOM 637 N SER A 43 -1.271 -10.190 -5.414 1.00 0.00 N ATOM 638 CA SER A 43 -1.139 -9.068 -6.329 1.00 0.00 C ATOM 639 C SER A 43 -1.450 -7.759 -5.600 1.00 0.00 C ATOM 640 O SER A 43 -1.978 -7.773 -4.489 1.00 0.00 O ATOM 641 CB SER A 43 -2.060 -9.233 -7.539 1.00 0.00 C ATOM 642 OG SER A 43 -3.422 -9.400 -7.155 1.00 0.00 O ATOM 0 H SER A 43 -1.829 -9.998 -4.582 1.00 0.00 H new ATOM 0 HA SER A 43 -0.111 -9.040 -6.690 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.970 -8.359 -8.185 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.740 -10.096 -8.123 1.00 0.00 H new ATOM 0 HG SER A 43 -3.978 -9.500 -7.956 1.00 0.00 H new ATOM 648 N LEU A 44 -1.108 -6.659 -6.255 1.00 0.00 N ATOM 649 CA LEU A 44 -1.344 -5.344 -5.683 1.00 0.00 C ATOM 650 C LEU A 44 -1.578 -4.337 -6.811 1.00 0.00 C ATOM 651 O LEU A 44 -0.629 -3.877 -7.444 1.00 0.00 O ATOM 652 CB LEU A 44 -0.203 -4.957 -4.741 1.00 0.00 C ATOM 653 CG LEU A 44 -0.310 -3.576 -4.090 1.00 0.00 C ATOM 654 CD1 LEU A 44 -1.473 -3.526 -3.098 1.00 0.00 C ATOM 655 CD2 LEU A 44 1.016 -3.173 -3.441 1.00 0.00 C ATOM 0 H LEU A 44 -0.670 -6.651 -7.176 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.245 -5.352 -5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.141 -5.705 -3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.733 -5.003 -5.298 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.522 -2.845 -4.870 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.527 -2.534 -2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.406 -3.739 -3.620 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.317 -4.269 -2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.914 -2.188 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.282 -3.901 -2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.798 -3.142 -4.200 1.00 0.00 H new ATOM 667 N GLY A 45 -2.848 -4.025 -7.029 1.00 0.00 N ATOM 668 CA GLY A 45 -3.218 -3.081 -8.069 1.00 0.00 C ATOM 669 C GLY A 45 -3.520 -1.703 -7.477 1.00 0.00 C ATOM 670 O GLY A 45 -4.010 -1.599 -6.353 1.00 0.00 O ATOM 0 H GLY A 45 -3.633 -4.410 -6.503 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.409 -2.999 -8.795 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.092 -3.450 -8.605 1.00 0.00 H new ATOM 674 N PHE A 46 -3.214 -0.678 -8.259 1.00 0.00 N ATOM 675 CA PHE A 46 -3.445 0.689 -7.826 1.00 0.00 C ATOM 676 C PHE A 46 -4.645 1.299 -8.555 1.00 0.00 C ATOM 677 O PHE A 46 -4.789 1.137 -9.765 1.00 0.00 O ATOM 678 CB PHE A 46 -2.190 1.489 -8.179 1.00 0.00 C ATOM 679 CG PHE A 46 -0.907 0.943 -7.549 1.00 0.00 C ATOM 680 CD1 PHE A 46 -0.721 1.024 -6.205 1.00 0.00 C ATOM 681 CD2 PHE A 46 0.048 0.375 -8.335 1.00 0.00 C ATOM 682 CE1 PHE A 46 0.470 0.517 -5.620 1.00 0.00 C ATOM 683 CE2 PHE A 46 1.239 -0.132 -7.751 1.00 0.00 C ATOM 684 CZ PHE A 46 1.424 -0.050 -6.406 1.00 0.00 C ATOM 0 H PHE A 46 -2.808 -0.767 -9.190 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.653 0.710 -6.756 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.073 1.503 -9.263 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.328 2.522 -7.860 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.479 1.474 -5.581 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.100 0.310 -9.403 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.618 0.582 -4.552 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.997 -0.582 -8.374 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.330 -0.436 -5.962 1.00 0.00 H new ATOM 694 N TYR A 47 -5.476 1.987 -7.786 1.00 0.00 N ATOM 695 CA TYR A 47 -6.659 2.622 -8.342 1.00 0.00 C ATOM 696 C TYR A 47 -6.852 4.025 -7.763 1.00 0.00 C ATOM 697 O TYR A 47 -6.213 4.387 -6.776 1.00 0.00 O ATOM 698 CB TYR A 47 -7.842 1.745 -7.929 1.00 0.00 C ATOM 699 CG TYR A 47 -7.767 0.310 -8.455 1.00 0.00 C ATOM 700 CD1 TYR A 47 -6.774 -0.537 -8.009 1.00 0.00 C ATOM 701 CD2 TYR A 47 -8.693 -0.136 -9.375 1.00 0.00 C ATOM 702 CE1 TYR A 47 -6.703 -1.888 -8.504 1.00 0.00 C ATOM 703 CE2 TYR A 47 -8.623 -1.487 -9.870 1.00 0.00 C ATOM 704 CZ TYR A 47 -7.631 -2.296 -9.410 1.00 0.00 C ATOM 705 OH TYR A 47 -7.564 -3.571 -9.878 1.00 0.00 O ATOM 0 H TYR A 47 -5.353 2.119 -6.782 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.569 2.720 -9.424 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.900 1.720 -6.841 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.764 2.204 -8.286 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.049 -0.187 -7.288 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.470 0.528 -9.724 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.930 -2.561 -8.163 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.342 -1.849 -10.590 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.291 -3.723 -10.518 1.00 0.00 H new ATOM 715 N LYS A 48 -7.736 4.777 -8.402 1.00 0.00 N ATOM 716 CA LYS A 48 -8.022 6.133 -7.963 1.00 0.00 C ATOM 717 C LYS A 48 -8.522 6.101 -6.517 1.00 0.00 C ATOM 718 O LYS A 48 -7.876 6.642 -5.621 1.00 0.00 O ATOM 719 CB LYS A 48 -8.987 6.818 -8.932 1.00 0.00 C ATOM 720 CG LYS A 48 -9.139 8.303 -8.596 1.00 0.00 C ATOM 721 CD LYS A 48 -8.757 9.177 -9.793 1.00 0.00 C ATOM 722 CE LYS A 48 -10.004 9.682 -10.522 1.00 0.00 C ATOM 723 NZ LYS A 48 -10.153 11.144 -10.343 1.00 0.00 N ATOM 0 H LYS A 48 -8.264 4.473 -9.220 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.114 6.736 -7.974 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.622 6.708 -9.953 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.961 6.330 -8.887 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.168 8.510 -8.304 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.509 8.553 -7.743 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.161 10.024 -9.454 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.135 8.605 -10.482 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.933 9.445 -11.584 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.888 9.171 -10.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.004 11.470 -10.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.242 11.362 -9.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.317 11.628 -10.729 1.00 0.00 H new ATOM 737 N ASP A 49 -9.668 5.462 -6.335 1.00 0.00 N ATOM 738 CA ASP A 49 -10.262 5.352 -5.013 1.00 0.00 C ATOM 739 C ASP A 49 -11.116 4.085 -4.946 1.00 0.00 C ATOM 740 O ASP A 49 -11.136 3.294 -5.889 1.00 0.00 O ATOM 741 CB ASP A 49 -11.168 6.549 -4.716 1.00 0.00 C ATOM 742 CG ASP A 49 -11.742 7.247 -5.950 1.00 0.00 C ATOM 743 OD1 ASP A 49 -12.185 6.516 -6.862 1.00 0.00 O ATOM 744 OD2 ASP A 49 -11.725 8.497 -5.954 1.00 0.00 O ATOM 0 H ASP A 49 -10.201 5.015 -7.081 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.454 5.320 -4.282 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.994 6.213 -4.090 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.603 7.278 -4.135 1.00 0.00 H new ATOM 749 N ALA A 50 -11.801 3.930 -3.823 1.00 0.00 N ATOM 750 CA ALA A 50 -12.655 2.771 -3.620 1.00 0.00 C ATOM 751 C ALA A 50 -13.749 2.756 -4.690 1.00 0.00 C ATOM 752 O ALA A 50 -14.272 1.697 -5.032 1.00 0.00 O ATOM 753 CB ALA A 50 -13.227 2.800 -2.201 1.00 0.00 C ATOM 0 H ALA A 50 -11.782 4.588 -3.044 1.00 0.00 H new ATOM 0 HA ALA A 50 -12.082 1.849 -3.721 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.867 1.931 -2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -12.411 2.780 -1.479 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.811 3.710 -2.063 1.00 0.00 H new ATOM 759 N LYS A 51 -14.062 3.944 -5.187 1.00 0.00 N ATOM 760 CA LYS A 51 -15.084 4.080 -6.211 1.00 0.00 C ATOM 761 C LYS A 51 -14.505 3.660 -7.563 1.00 0.00 C ATOM 762 O LYS A 51 -15.247 3.440 -8.519 1.00 0.00 O ATOM 763 CB LYS A 51 -15.664 5.496 -6.203 1.00 0.00 C ATOM 764 CG LYS A 51 -16.465 5.754 -4.925 1.00 0.00 C ATOM 765 CD LYS A 51 -15.640 6.552 -3.913 1.00 0.00 C ATOM 766 CE LYS A 51 -15.391 7.977 -4.411 1.00 0.00 C ATOM 767 NZ LYS A 51 -14.855 8.821 -3.319 1.00 0.00 N ATOM 0 H LYS A 51 -13.626 4.820 -4.900 1.00 0.00 H new ATOM 0 HA LYS A 51 -15.923 3.415 -6.003 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.857 6.224 -6.283 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -16.306 5.635 -7.073 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -17.377 6.300 -5.167 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -16.769 4.805 -4.484 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -16.162 6.583 -2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.687 6.052 -3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.688 7.960 -5.244 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -16.320 8.405 -4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.692 9.785 -3.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.539 8.851 -2.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.957 8.420 -2.979 1.00 0.00 H new ATOM 781 N ALA A 52 -13.184 3.562 -7.600 1.00 0.00 N ATOM 782 CA ALA A 52 -12.497 3.172 -8.820 1.00 0.00 C ATOM 783 C ALA A 52 -12.185 1.675 -8.769 1.00 0.00 C ATOM 784 O ALA A 52 -12.039 1.032 -9.807 1.00 0.00 O ATOM 785 CB ALA A 52 -11.237 4.024 -8.991 1.00 0.00 C ATOM 0 H ALA A 52 -12.571 3.746 -6.805 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.131 3.347 -9.690 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.722 3.732 -9.906 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.515 5.076 -9.051 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.576 3.872 -8.138 1.00 0.00 H new ATOM 791 N ALA A 53 -12.093 1.164 -7.550 1.00 0.00 N ATOM 792 CA ALA A 53 -11.802 -0.245 -7.349 1.00 0.00 C ATOM 793 C ALA A 53 -13.014 -1.077 -7.774 1.00 0.00 C ATOM 794 O ALA A 53 -12.862 -2.133 -8.386 1.00 0.00 O ATOM 795 CB ALA A 53 -11.414 -0.484 -5.889 1.00 0.00 C ATOM 0 H ALA A 53 -12.215 1.701 -6.691 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.957 -0.554 -7.965 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.196 -1.541 -5.739 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.531 0.107 -5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.238 -0.188 -5.240 1.00 0.00 H new ATOM 801 N SER A 54 -14.189 -0.570 -7.432 1.00 0.00 N ATOM 802 CA SER A 54 -15.426 -1.253 -7.770 1.00 0.00 C ATOM 803 C SER A 54 -15.675 -1.168 -9.277 1.00 0.00 C ATOM 804 O SER A 54 -16.092 -2.146 -9.897 1.00 0.00 O ATOM 805 CB SER A 54 -16.609 -0.662 -7.002 1.00 0.00 C ATOM 806 OG SER A 54 -17.858 -1.023 -7.585 1.00 0.00 O ATOM 0 H SER A 54 -14.311 0.306 -6.924 1.00 0.00 H new ATOM 0 HA SER A 54 -15.328 -2.300 -7.483 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.578 -1.006 -5.968 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.520 0.424 -6.979 1.00 0.00 H new ATOM 0 HG SER A 54 -18.588 -0.627 -7.065 1.00 0.00 H new ATOM 812 N ALA A 55 -15.410 0.009 -9.823 1.00 0.00 N ATOM 813 CA ALA A 55 -15.601 0.234 -11.246 1.00 0.00 C ATOM 814 C ALA A 55 -14.474 -0.452 -12.022 1.00 0.00 C ATOM 815 O ALA A 55 -14.473 -0.450 -13.252 1.00 0.00 O ATOM 816 CB ALA A 55 -15.666 1.738 -11.521 1.00 0.00 C ATOM 0 H ALA A 55 -15.064 0.817 -9.306 1.00 0.00 H new ATOM 0 HA ALA A 55 -16.544 -0.200 -11.580 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.809 1.907 -12.588 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.500 2.173 -10.970 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.735 2.207 -11.201 1.00 0.00 H new ATOM 822 N GLY A 56 -13.543 -1.021 -11.271 1.00 0.00 N ATOM 823 CA GLY A 56 -12.414 -1.709 -11.873 1.00 0.00 C ATOM 824 C GLY A 56 -11.625 -0.771 -12.788 1.00 0.00 C ATOM 825 O GLY A 56 -11.255 -1.148 -13.899 1.00 0.00 O ATOM 0 H GLY A 56 -13.547 -1.020 -10.251 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.760 -2.095 -11.091 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.769 -2.567 -12.444 1.00 0.00 H new ATOM 829 N VAL A 57 -11.390 0.433 -12.288 1.00 0.00 N ATOM 830 CA VAL A 57 -10.652 1.428 -13.046 1.00 0.00 C ATOM 831 C VAL A 57 -9.234 1.543 -12.483 1.00 0.00 C ATOM 832 O VAL A 57 -9.031 2.117 -11.415 1.00 0.00 O ATOM 833 CB VAL A 57 -11.407 2.758 -13.040 1.00 0.00 C ATOM 834 CG1 VAL A 57 -10.566 3.870 -13.669 1.00 0.00 C ATOM 835 CG2 VAL A 57 -12.757 2.625 -13.747 1.00 0.00 C ATOM 0 H VAL A 57 -11.698 0.742 -11.366 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.564 1.125 -14.089 1.00 0.00 H new ATOM 0 HB VAL A 57 -11.598 3.030 -12.002 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.127 4.804 -13.652 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.642 3.991 -13.104 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.329 3.608 -14.700 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -13.273 3.585 -13.729 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.598 2.318 -14.781 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.363 1.877 -13.236 1.00 0.00 H new ATOM 845 N PRO A 58 -8.264 0.974 -13.248 1.00 0.00 N ATOM 846 CA PRO A 58 -6.870 1.007 -12.837 1.00 0.00 C ATOM 847 C PRO A 58 -6.269 2.398 -13.049 1.00 0.00 C ATOM 848 O PRO A 58 -6.377 2.966 -14.134 1.00 0.00 O ATOM 849 CB PRO A 58 -6.189 -0.067 -13.668 1.00 0.00 C ATOM 850 CG PRO A 58 -7.119 -0.341 -14.839 1.00 0.00 C ATOM 851 CD PRO A 58 -8.467 0.286 -14.520 1.00 0.00 C ATOM 0 HA PRO A 58 -6.740 0.810 -11.773 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -5.212 0.269 -14.016 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.025 -0.970 -13.080 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.710 0.080 -15.758 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.225 -1.414 -14.999 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.775 0.981 -15.301 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.247 -0.471 -14.441 1.00 0.00 H new ATOM 859 N TYR A 59 -5.650 2.907 -11.994 1.00 0.00 N ATOM 860 CA TYR A 59 -5.032 4.221 -12.050 1.00 0.00 C ATOM 861 C TYR A 59 -4.142 4.355 -13.288 1.00 0.00 C ATOM 862 O TYR A 59 -3.158 3.632 -13.431 1.00 0.00 O ATOM 863 CB TYR A 59 -4.161 4.331 -10.797 1.00 0.00 C ATOM 864 CG TYR A 59 -3.987 5.763 -10.285 1.00 0.00 C ATOM 865 CD1 TYR A 59 -4.991 6.359 -9.549 1.00 0.00 C ATOM 866 CD2 TYR A 59 -2.826 6.457 -10.558 1.00 0.00 C ATOM 867 CE1 TYR A 59 -4.828 7.706 -9.067 1.00 0.00 C ATOM 868 CE2 TYR A 59 -2.663 7.804 -10.075 1.00 0.00 C ATOM 869 CZ TYR A 59 -3.672 8.362 -9.354 1.00 0.00 C ATOM 870 OH TYR A 59 -3.517 9.634 -8.898 1.00 0.00 O ATOM 0 H TYR A 59 -5.563 2.433 -11.095 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.792 5.001 -12.101 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.602 3.724 -10.006 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.178 3.911 -11.012 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.899 5.815 -9.335 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.040 5.990 -11.133 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.606 8.184 -8.491 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.759 8.359 -10.281 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.643 9.977 -9.177 1.00 0.00 H new ATOM 880 N HIS A 60 -4.521 5.286 -14.151 1.00 0.00 N ATOM 881 CA HIS A 60 -3.770 5.525 -15.372 1.00 0.00 C ATOM 882 C HIS A 60 -3.505 4.194 -16.080 1.00 0.00 C ATOM 883 O HIS A 60 -2.564 4.081 -16.863 1.00 0.00 O ATOM 884 CB HIS A 60 -2.488 6.306 -15.078 1.00 0.00 C ATOM 885 CG HIS A 60 -2.715 7.770 -14.784 1.00 0.00 C ATOM 886 ND1 HIS A 60 -1.903 8.770 -15.290 1.00 0.00 N ATOM 887 CD2 HIS A 60 -3.669 8.391 -14.033 1.00 0.00 C ATOM 888 CE1 HIS A 60 -2.357 9.937 -14.856 1.00 0.00 C ATOM 889 NE2 HIS A 60 -3.451 9.700 -14.077 1.00 0.00 N ATOM 0 H HIS A 60 -5.338 5.884 -14.029 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.357 6.146 -16.048 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.983 5.849 -14.227 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.817 6.217 -15.932 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.466 7.901 -13.494 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.935 10.906 -15.080 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.010 10.411 -13.606 1.00 0.00 H new ATOM 897 N GLY A 61 -4.352 3.221 -15.778 1.00 0.00 N ATOM 898 CA GLY A 61 -4.221 1.903 -16.376 1.00 0.00 C ATOM 899 C GLY A 61 -2.974 1.186 -15.853 1.00 0.00 C ATOM 900 O GLY A 61 -2.364 0.394 -16.569 1.00 0.00 O ATOM 0 H GLY A 61 -5.131 3.319 -15.127 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.107 1.309 -16.153 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.164 1.996 -17.461 1.00 0.00 H new ATOM 904 N GLU A 62 -2.633 1.490 -14.610 1.00 0.00 N ATOM 905 CA GLU A 62 -1.470 0.884 -13.983 1.00 0.00 C ATOM 906 C GLU A 62 -1.788 -0.547 -13.547 1.00 0.00 C ATOM 907 O GLU A 62 -2.631 -0.762 -12.677 1.00 0.00 O ATOM 908 CB GLU A 62 -0.986 1.724 -12.800 1.00 0.00 C ATOM 909 CG GLU A 62 -0.167 2.925 -13.278 1.00 0.00 C ATOM 910 CD GLU A 62 0.387 3.718 -12.093 1.00 0.00 C ATOM 911 OE1 GLU A 62 -0.439 4.343 -11.392 1.00 0.00 O ATOM 912 OE2 GLU A 62 1.623 3.682 -11.914 1.00 0.00 O ATOM 0 H GLU A 62 -3.141 2.148 -14.019 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.663 0.849 -14.715 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.842 2.071 -12.221 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.380 1.108 -12.136 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.655 2.582 -13.907 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.791 3.573 -13.894 1.00 0.00 H new ATOM 919 N VAL A 63 -1.096 -1.489 -14.170 1.00 0.00 N ATOM 920 CA VAL A 63 -1.293 -2.894 -13.857 1.00 0.00 C ATOM 921 C VAL A 63 -0.852 -3.158 -12.415 1.00 0.00 C ATOM 922 O VAL A 63 -0.166 -2.334 -11.812 1.00 0.00 O ATOM 923 CB VAL A 63 -0.558 -3.766 -14.876 1.00 0.00 C ATOM 924 CG1 VAL A 63 -0.577 -3.123 -16.264 1.00 0.00 C ATOM 925 CG2 VAL A 63 0.876 -4.048 -14.423 1.00 0.00 C ATOM 0 H VAL A 63 -0.398 -1.307 -14.891 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.349 -3.156 -13.927 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.083 -4.719 -14.941 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.048 -3.764 -16.969 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.609 -2.997 -16.592 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.088 -2.150 -16.221 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.376 -4.670 -15.165 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.415 -3.107 -14.315 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.859 -4.568 -13.465 1.00 0.00 H new ATOM 935 N PRO A 64 -1.275 -4.340 -11.892 1.00 0.00 N ATOM 936 CA PRO A 64 -0.931 -4.722 -10.533 1.00 0.00 C ATOM 937 C PRO A 64 0.530 -5.165 -10.441 1.00 0.00 C ATOM 938 O PRO A 64 1.101 -5.642 -11.421 1.00 0.00 O ATOM 939 CB PRO A 64 -1.910 -5.828 -10.176 1.00 0.00 C ATOM 940 CG PRO A 64 -2.458 -6.343 -11.497 1.00 0.00 C ATOM 941 CD PRO A 64 -2.089 -5.339 -12.577 1.00 0.00 C ATOM 0 HA PRO A 64 -1.013 -3.893 -9.830 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.414 -6.625 -9.622 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.712 -5.450 -9.542 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.040 -7.323 -11.728 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.540 -6.463 -11.441 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.535 -5.814 -13.386 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.978 -4.890 -13.020 1.00 0.00 H new ATOM 949 N VAL A 65 1.095 -4.990 -9.255 1.00 0.00 N ATOM 950 CA VAL A 65 2.479 -5.366 -9.023 1.00 0.00 C ATOM 951 C VAL A 65 2.525 -6.746 -8.365 1.00 0.00 C ATOM 952 O VAL A 65 1.905 -6.963 -7.325 1.00 0.00 O ATOM 953 CB VAL A 65 3.183 -4.286 -8.198 1.00 0.00 C ATOM 954 CG1 VAL A 65 3.250 -2.965 -8.967 1.00 0.00 C ATOM 955 CG2 VAL A 65 2.497 -4.098 -6.843 1.00 0.00 C ATOM 0 H VAL A 65 0.619 -4.593 -8.445 1.00 0.00 H new ATOM 0 HA VAL A 65 3.019 -5.439 -9.967 1.00 0.00 H new ATOM 0 HB VAL A 65 4.205 -4.618 -8.013 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.755 -2.215 -8.358 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.803 -3.112 -9.895 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.240 -2.626 -9.197 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.016 -3.325 -6.276 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.460 -3.799 -6.998 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.525 -5.036 -6.288 1.00 0.00 H new ATOM 965 N SER A 66 3.266 -7.644 -8.998 1.00 0.00 N ATOM 966 CA SER A 66 3.401 -8.997 -8.486 1.00 0.00 C ATOM 967 C SER A 66 4.247 -8.993 -7.212 1.00 0.00 C ATOM 968 O SER A 66 5.334 -8.418 -7.185 1.00 0.00 O ATOM 969 CB SER A 66 4.024 -9.922 -9.534 1.00 0.00 C ATOM 970 OG SER A 66 3.121 -10.207 -10.599 1.00 0.00 O ATOM 0 H SER A 66 3.779 -7.461 -9.860 1.00 0.00 H new ATOM 0 HA SER A 66 2.406 -9.375 -8.252 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.925 -9.459 -9.937 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.330 -10.854 -9.059 1.00 0.00 H new ATOM 0 HG SER A 66 3.556 -10.799 -11.248 1.00 0.00 H new ATOM 976 N LEU A 67 3.716 -9.642 -6.185 1.00 0.00 N ATOM 977 CA LEU A 67 4.409 -9.720 -4.911 1.00 0.00 C ATOM 978 C LEU A 67 5.267 -10.986 -4.878 1.00 0.00 C ATOM 979 O LEU A 67 5.467 -11.579 -3.819 1.00 0.00 O ATOM 980 CB LEU A 67 3.413 -9.623 -3.753 1.00 0.00 C ATOM 981 CG LEU A 67 2.471 -8.418 -3.778 1.00 0.00 C ATOM 982 CD1 LEU A 67 1.288 -8.627 -2.831 1.00 0.00 C ATOM 983 CD2 LEU A 67 3.227 -7.124 -3.473 1.00 0.00 C ATOM 0 H LEU A 67 2.814 -10.118 -6.210 1.00 0.00 H new ATOM 0 HA LEU A 67 5.085 -8.873 -4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.810 -10.531 -3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.974 -9.602 -2.818 1.00 0.00 H new ATOM 0 HG LEU A 67 2.065 -8.324 -4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.634 -7.756 -2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.730 -9.513 -3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.656 -8.762 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.534 -6.283 -3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.681 -7.192 -2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.006 -6.973 -4.220 1.00 0.00 H new ATOM 995 N ALA A 68 5.753 -11.363 -6.052 1.00 0.00 N ATOM 996 CA ALA A 68 6.585 -12.548 -6.172 1.00 0.00 C ATOM 997 C ALA A 68 8.026 -12.194 -5.798 1.00 0.00 C ATOM 998 O ALA A 68 8.715 -11.506 -6.549 1.00 0.00 O ATOM 999 CB ALA A 68 6.473 -13.110 -7.591 1.00 0.00 C ATOM 0 H ALA A 68 5.586 -10.868 -6.928 1.00 0.00 H new ATOM 0 HA ALA A 68 6.247 -13.325 -5.486 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.097 -13.999 -7.681 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.436 -13.373 -7.797 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.806 -12.359 -8.307 1.00 0.00 H new ATOM 1005 N ARG A 69 8.438 -12.680 -4.636 1.00 0.00 N ATOM 1006 CA ARG A 69 9.784 -12.423 -4.153 1.00 0.00 C ATOM 1007 C ARG A 69 9.878 -11.012 -3.567 1.00 0.00 C ATOM 1008 O ARG A 69 10.966 -10.447 -3.472 1.00 0.00 O ATOM 1009 CB ARG A 69 10.810 -12.570 -5.278 1.00 0.00 C ATOM 1010 CG ARG A 69 10.541 -13.829 -6.104 1.00 0.00 C ATOM 1011 CD ARG A 69 11.633 -14.877 -5.879 1.00 0.00 C ATOM 1012 NE ARG A 69 11.330 -15.672 -4.668 1.00 0.00 N ATOM 1013 CZ ARG A 69 10.367 -16.601 -4.602 1.00 0.00 C ATOM 1014 NH1 ARG A 69 9.608 -16.858 -5.676 1.00 0.00 N ATOM 1015 NH2 ARG A 69 10.163 -17.274 -3.461 1.00 0.00 N ATOM 0 H ARG A 69 7.863 -13.250 -4.015 1.00 0.00 H new ATOM 0 HA ARG A 69 10.004 -13.157 -3.378 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.775 -11.693 -5.924 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.814 -12.615 -4.856 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.571 -14.246 -5.833 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.493 -13.571 -7.162 1.00 0.00 H new ATOM 0 HD2 ARG A 69 11.703 -15.533 -6.747 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.601 -14.388 -5.770 1.00 0.00 H new ATOM 0 HE ARG A 69 11.889 -15.502 -3.832 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.763 -16.346 -6.545 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.875 -17.565 -5.625 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.741 -17.079 -2.643 1.00 0.00 H new ATOM 0 HH22 ARG A 69 9.430 -17.981 -3.410 1.00 0.00 H new ATOM 1029 N ALA A 70 8.722 -10.485 -3.190 1.00 0.00 N ATOM 1030 CA ALA A 70 8.660 -9.151 -2.617 1.00 0.00 C ATOM 1031 C ALA A 70 8.769 -9.250 -1.094 1.00 0.00 C ATOM 1032 O ALA A 70 8.815 -10.348 -0.541 1.00 0.00 O ATOM 1033 CB ALA A 70 7.371 -8.461 -3.066 1.00 0.00 C ATOM 0 H ALA A 70 7.822 -10.957 -3.270 1.00 0.00 H new ATOM 0 HA ALA A 70 9.494 -8.543 -2.969 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.325 -7.460 -2.636 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.356 -8.389 -4.154 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.512 -9.041 -2.729 1.00 0.00 H new ATOM 1039 N GLN A 71 8.805 -8.088 -0.458 1.00 0.00 N ATOM 1040 CA GLN A 71 8.907 -8.030 0.990 1.00 0.00 C ATOM 1041 C GLN A 71 8.205 -6.778 1.522 1.00 0.00 C ATOM 1042 O GLN A 71 8.178 -5.746 0.853 1.00 0.00 O ATOM 1043 CB GLN A 71 10.369 -8.071 1.439 1.00 0.00 C ATOM 1044 CG GLN A 71 10.758 -9.474 1.909 1.00 0.00 C ATOM 1045 CD GLN A 71 10.568 -9.618 3.421 1.00 0.00 C ATOM 1046 OE1 GLN A 71 9.562 -9.223 3.986 1.00 0.00 O ATOM 1047 NE2 GLN A 71 11.588 -10.204 4.041 1.00 0.00 N ATOM 0 H GLN A 71 8.765 -7.179 -0.919 1.00 0.00 H new ATOM 0 HA GLN A 71 8.409 -8.906 1.405 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.015 -7.767 0.615 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.525 -7.356 2.247 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.151 -10.216 1.390 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.798 -9.673 1.649 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.401 -10.511 3.507 1.00 0.00 H new ATOM 0 HE22 GLN A 71 11.557 -10.346 5.051 1.00 0.00 H new ATOM 1056 N GLY A 72 7.655 -6.911 2.720 1.00 0.00 N ATOM 1057 CA GLY A 72 6.956 -5.804 3.349 1.00 0.00 C ATOM 1058 C GLY A 72 7.391 -5.638 4.806 1.00 0.00 C ATOM 1059 O GLY A 72 7.382 -6.599 5.574 1.00 0.00 O ATOM 0 H GLY A 72 7.679 -7.769 3.272 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.155 -4.884 2.799 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.881 -5.976 3.304 1.00 0.00 H new ATOM 1063 N SER A 73 7.761 -4.411 5.144 1.00 0.00 N ATOM 1064 CA SER A 73 8.199 -4.106 6.495 1.00 0.00 C ATOM 1065 C SER A 73 7.595 -2.778 6.954 1.00 0.00 C ATOM 1066 O SER A 73 7.148 -1.978 6.132 1.00 0.00 O ATOM 1067 CB SER A 73 9.725 -4.053 6.581 1.00 0.00 C ATOM 1068 OG SER A 73 10.315 -5.339 6.409 1.00 0.00 O ATOM 0 H SER A 73 7.766 -3.616 4.505 1.00 0.00 H new ATOM 0 HA SER A 73 7.853 -4.902 7.154 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.108 -3.374 5.819 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.020 -3.645 7.548 1.00 0.00 H new ATOM 0 HG SER A 73 11.290 -5.262 6.469 1.00 0.00 H new ATOM 1074 N VAL A 74 7.600 -2.583 8.264 1.00 0.00 N ATOM 1075 CA VAL A 74 7.058 -1.364 8.842 1.00 0.00 C ATOM 1076 C VAL A 74 8.095 -0.245 8.725 1.00 0.00 C ATOM 1077 O VAL A 74 9.294 -0.510 8.650 1.00 0.00 O ATOM 1078 CB VAL A 74 6.615 -1.621 10.284 1.00 0.00 C ATOM 1079 CG1 VAL A 74 6.291 -0.308 11.000 1.00 0.00 C ATOM 1080 CG2 VAL A 74 5.422 -2.579 10.328 1.00 0.00 C ATOM 0 H VAL A 74 7.971 -3.248 8.942 1.00 0.00 H new ATOM 0 HA VAL A 74 6.171 -1.043 8.296 1.00 0.00 H new ATOM 0 HB VAL A 74 7.444 -2.094 10.811 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.979 -0.519 12.023 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.177 0.327 11.015 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.486 0.205 10.473 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.127 -2.745 11.364 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.587 -2.146 9.778 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.702 -3.529 9.874 1.00 0.00 H new ATOM 1090 N ALA A 75 7.595 0.982 8.714 1.00 0.00 N ATOM 1091 CA ALA A 75 8.463 2.143 8.608 1.00 0.00 C ATOM 1092 C ALA A 75 8.540 2.842 9.966 1.00 0.00 C ATOM 1093 O ALA A 75 7.769 3.761 10.240 1.00 0.00 O ATOM 1094 CB ALA A 75 7.946 3.067 7.504 1.00 0.00 C ATOM 0 H ALA A 75 6.600 1.198 8.777 1.00 0.00 H new ATOM 0 HA ALA A 75 9.475 1.843 8.335 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.597 3.938 7.424 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.939 2.531 6.555 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.934 3.391 7.745 1.00 0.00 H new ATOM 1223 N LYS A 82 2.414 8.827 10.714 1.00 0.00 N ATOM 1224 CA LYS A 82 2.647 7.619 11.486 1.00 0.00 C ATOM 1225 C LYS A 82 1.866 6.461 10.861 1.00 0.00 C ATOM 1226 O LYS A 82 0.979 6.679 10.037 1.00 0.00 O ATOM 1227 CB LYS A 82 2.322 7.854 12.962 1.00 0.00 C ATOM 1228 CG LYS A 82 3.451 8.618 13.658 1.00 0.00 C ATOM 1229 CD LYS A 82 2.925 9.393 14.867 1.00 0.00 C ATOM 1230 CE LYS A 82 4.056 10.149 15.568 1.00 0.00 C ATOM 1231 NZ LYS A 82 3.525 10.948 16.695 1.00 0.00 N ATOM 0 HA LYS A 82 3.702 7.346 11.456 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.392 8.415 13.048 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.165 6.897 13.460 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.224 7.919 13.978 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.916 9.308 12.954 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.157 10.096 14.546 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.454 8.704 15.568 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.801 9.443 15.934 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.560 10.803 14.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.306 11.455 17.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.831 11.635 16.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.065 10.317 17.382 1.00 0.00 H new ATOM 1245 N HIS A 83 2.223 5.255 11.278 1.00 0.00 N ATOM 1246 CA HIS A 83 1.566 4.063 10.770 1.00 0.00 C ATOM 1247 C HIS A 83 1.827 3.934 9.267 1.00 0.00 C ATOM 1248 O HIS A 83 0.889 3.841 8.477 1.00 0.00 O ATOM 1249 CB HIS A 83 0.076 4.075 11.114 1.00 0.00 C ATOM 1250 CG HIS A 83 -0.309 5.115 12.139 1.00 0.00 C ATOM 1251 ND1 HIS A 83 -0.918 6.327 11.993 1.00 0.00 N flip ATOM 1252 CD2 HIS A 83 -0.070 4.959 13.493 1.00 0.00 C flip ATOM 1253 CE1 HIS A 83 -1.045 6.880 13.192 1.00 0.00 C flip ATOM 1254 NE2 HIS A 83 -0.519 6.034 14.124 1.00 0.00 N flip ATOM 0 H HIS A 83 2.959 5.078 11.962 1.00 0.00 H new ATOM 0 HA HIS A 83 1.983 3.180 11.253 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -0.496 4.249 10.202 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -0.209 3.091 11.486 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.402 4.106 13.957 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -1.491 7.842 13.397 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -0.479 6.200 15.130 1.00 0.00 H new ATOM 1262 N VAL A 84 3.105 3.934 8.919 1.00 0.00 N ATOM 1263 CA VAL A 84 3.501 3.818 7.525 1.00 0.00 C ATOM 1264 C VAL A 84 4.418 2.605 7.359 1.00 0.00 C ATOM 1265 O VAL A 84 5.266 2.342 8.210 1.00 0.00 O ATOM 1266 CB VAL A 84 4.145 5.124 7.055 1.00 0.00 C ATOM 1267 CG1 VAL A 84 4.565 5.030 5.586 1.00 0.00 C ATOM 1268 CG2 VAL A 84 3.207 6.311 7.282 1.00 0.00 C ATOM 0 H VAL A 84 3.880 4.012 9.578 1.00 0.00 H new ATOM 0 HA VAL A 84 2.629 3.654 6.892 1.00 0.00 H new ATOM 0 HB VAL A 84 5.043 5.288 7.651 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.020 5.971 5.277 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.286 4.221 5.465 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.689 4.831 4.969 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.689 7.227 6.939 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.283 6.157 6.724 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.979 6.397 8.344 1.00 0.00 H new ATOM 1278 N PHE A 85 4.216 1.898 6.256 1.00 0.00 N ATOM 1279 CA PHE A 85 5.014 0.719 5.968 1.00 0.00 C ATOM 1280 C PHE A 85 5.577 0.773 4.546 1.00 0.00 C ATOM 1281 O PHE A 85 4.867 1.128 3.606 1.00 0.00 O ATOM 1282 CB PHE A 85 4.086 -0.491 6.090 1.00 0.00 C ATOM 1283 CG PHE A 85 2.909 -0.474 5.113 1.00 0.00 C ATOM 1284 CD1 PHE A 85 1.899 0.422 5.279 1.00 0.00 C ATOM 1285 CD2 PHE A 85 2.873 -1.355 4.077 1.00 0.00 C ATOM 1286 CE1 PHE A 85 0.807 0.438 4.372 1.00 0.00 C ATOM 1287 CE2 PHE A 85 1.781 -1.339 3.169 1.00 0.00 C ATOM 1288 CZ PHE A 85 0.771 -0.443 3.336 1.00 0.00 C ATOM 0 H PHE A 85 3.512 2.119 5.552 1.00 0.00 H new ATOM 0 HA PHE A 85 5.853 0.659 6.661 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.667 -1.399 5.927 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.699 -0.538 7.108 1.00 0.00 H new ATOM 0 HD1 PHE A 85 1.928 1.122 6.101 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.675 -2.066 3.945 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.005 1.149 4.504 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.752 -2.038 2.346 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.060 -0.431 2.646 1.00 0.00 H new ATOM 1298 N LYS A 86 6.847 0.414 4.432 1.00 0.00 N ATOM 1299 CA LYS A 86 7.514 0.417 3.141 1.00 0.00 C ATOM 1300 C LYS A 86 7.256 -0.917 2.436 1.00 0.00 C ATOM 1301 O LYS A 86 7.022 -1.932 3.089 1.00 0.00 O ATOM 1302 CB LYS A 86 8.998 0.750 3.305 1.00 0.00 C ATOM 1303 CG LYS A 86 9.703 0.791 1.948 1.00 0.00 C ATOM 1304 CD LYS A 86 11.162 1.226 2.101 1.00 0.00 C ATOM 1305 CE LYS A 86 11.281 2.751 2.125 1.00 0.00 C ATOM 1306 NZ LYS A 86 12.690 3.158 2.320 1.00 0.00 N ATOM 0 H LYS A 86 7.432 0.119 5.213 1.00 0.00 H new ATOM 0 HA LYS A 86 7.105 1.200 2.502 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.105 1.713 3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.473 0.005 3.944 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.660 -0.193 1.482 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.182 1.481 1.284 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.574 0.811 3.021 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.753 0.825 1.278 1.00 0.00 H new ATOM 0 HE2 LYS A 86 10.902 3.166 1.191 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.665 3.157 2.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.725 4.023 2.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.207 2.397 2.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.130 3.341 1.395 1.00 0.00 H new ATOM 1320 N LEU A 87 7.309 -0.870 1.113 1.00 0.00 N ATOM 1321 CA LEU A 87 7.085 -2.062 0.313 1.00 0.00 C ATOM 1322 C LEU A 87 8.088 -2.092 -0.842 1.00 0.00 C ATOM 1323 O LEU A 87 7.971 -1.317 -1.790 1.00 0.00 O ATOM 1324 CB LEU A 87 5.625 -2.137 -0.138 1.00 0.00 C ATOM 1325 CG LEU A 87 5.270 -3.299 -1.068 1.00 0.00 C ATOM 1326 CD1 LEU A 87 5.392 -4.640 -0.342 1.00 0.00 C ATOM 1327 CD2 LEU A 87 3.882 -3.104 -1.683 1.00 0.00 C ATOM 0 H LEU A 87 7.504 -0.025 0.575 1.00 0.00 H new ATOM 0 HA LEU A 87 7.257 -2.959 0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.994 -2.201 0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.373 -1.204 -0.642 1.00 0.00 H new ATOM 0 HG LEU A 87 5.987 -3.311 -1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.134 -5.449 -1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.416 -4.773 0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.713 -4.655 0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.654 -3.943 -2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.137 -3.051 -0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.866 -2.178 -2.258 1.00 0.00 H new ATOM 1339 N GLY A 88 9.051 -2.994 -0.724 1.00 0.00 N ATOM 1340 CA GLY A 88 10.074 -3.134 -1.747 1.00 0.00 C ATOM 1341 C GLY A 88 9.884 -4.431 -2.537 1.00 0.00 C ATOM 1342 O GLY A 88 10.023 -5.523 -1.988 1.00 0.00 O ATOM 0 H GLY A 88 9.145 -3.635 0.064 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.035 -2.282 -2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.061 -3.127 -1.284 1.00 0.00 H new ATOM 1346 N LEU A 89 9.570 -4.267 -3.814 1.00 0.00 N ATOM 1347 CA LEU A 89 9.360 -5.411 -4.685 1.00 0.00 C ATOM 1348 C LEU A 89 10.712 -6.037 -5.033 1.00 0.00 C ATOM 1349 O LEU A 89 11.757 -5.530 -4.628 1.00 0.00 O ATOM 1350 CB LEU A 89 8.535 -5.007 -5.909 1.00 0.00 C ATOM 1351 CG LEU A 89 7.229 -4.263 -5.623 1.00 0.00 C ATOM 1352 CD1 LEU A 89 6.235 -4.439 -6.773 1.00 0.00 C ATOM 1353 CD2 LEU A 89 6.635 -4.695 -4.281 1.00 0.00 C ATOM 0 H LEU A 89 9.456 -3.360 -4.266 1.00 0.00 H new ATOM 0 HA LEU A 89 8.776 -6.177 -4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.155 -4.379 -6.549 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.300 -5.907 -6.477 1.00 0.00 H new ATOM 0 HG LEU A 89 7.451 -3.198 -5.549 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.315 -3.900 -6.545 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.668 -4.044 -7.692 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.013 -5.498 -6.903 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.707 -4.151 -4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.430 -5.765 -4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.344 -4.477 -3.482 1.00 0.00 H new ATOM 1365 N GLN A 90 10.647 -7.129 -5.780 1.00 0.00 N ATOM 1366 CA GLN A 90 11.854 -7.829 -6.187 1.00 0.00 C ATOM 1367 C GLN A 90 12.475 -7.150 -7.409 1.00 0.00 C ATOM 1368 O GLN A 90 13.643 -7.375 -7.722 1.00 0.00 O ATOM 1369 CB GLN A 90 11.563 -9.305 -6.469 1.00 0.00 C ATOM 1370 CG GLN A 90 10.412 -9.456 -7.466 1.00 0.00 C ATOM 1371 CD GLN A 90 10.569 -10.733 -8.294 1.00 0.00 C ATOM 1372 OE1 GLN A 90 11.446 -11.549 -8.064 1.00 0.00 O ATOM 1373 NE2 GLN A 90 9.672 -10.859 -9.268 1.00 0.00 N ATOM 0 H GLN A 90 9.778 -7.546 -6.114 1.00 0.00 H new ATOM 0 HA GLN A 90 12.571 -7.784 -5.367 1.00 0.00 H new ATOM 0 HB2 GLN A 90 12.457 -9.787 -6.865 1.00 0.00 H new ATOM 0 HB3 GLN A 90 11.312 -9.814 -5.538 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.463 -9.480 -6.931 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.383 -8.590 -8.128 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.964 -10.138 -9.406 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.692 -11.677 -9.877 1.00 0.00 H new ATOM 1382 N ASP A 91 11.666 -6.332 -8.067 1.00 0.00 N ATOM 1383 CA ASP A 91 12.122 -5.619 -9.248 1.00 0.00 C ATOM 1384 C ASP A 91 12.822 -4.327 -8.819 1.00 0.00 C ATOM 1385 O ASP A 91 13.148 -3.487 -9.656 1.00 0.00 O ATOM 1386 CB ASP A 91 10.947 -5.242 -10.152 1.00 0.00 C ATOM 1387 CG ASP A 91 11.289 -5.110 -11.637 1.00 0.00 C ATOM 1388 OD1 ASP A 91 11.340 -6.167 -12.304 1.00 0.00 O ATOM 1389 OD2 ASP A 91 11.493 -3.956 -12.072 1.00 0.00 O ATOM 0 H ASP A 91 10.698 -6.147 -7.805 1.00 0.00 H new ATOM 0 HA ASP A 91 12.802 -6.272 -9.795 1.00 0.00 H new ATOM 0 HB2 ASP A 91 10.166 -5.994 -10.040 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.530 -4.296 -9.805 1.00 0.00 H new ATOM 1394 N GLY A 92 13.032 -4.210 -7.517 1.00 0.00 N ATOM 1395 CA GLY A 92 13.687 -3.035 -6.967 1.00 0.00 C ATOM 1396 C GLY A 92 12.710 -1.862 -6.860 1.00 0.00 C ATOM 1397 O GLY A 92 13.127 -0.707 -6.796 1.00 0.00 O ATOM 0 H GLY A 92 12.760 -4.909 -6.826 1.00 0.00 H new ATOM 0 HA2 GLY A 92 14.091 -3.267 -5.982 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.530 -2.755 -7.599 1.00 0.00 H new ATOM 1401 N LYS A 93 11.429 -2.201 -6.843 1.00 0.00 N ATOM 1402 CA LYS A 93 10.390 -1.190 -6.745 1.00 0.00 C ATOM 1403 C LYS A 93 10.083 -0.922 -5.270 1.00 0.00 C ATOM 1404 O LYS A 93 9.665 -1.824 -4.545 1.00 0.00 O ATOM 1405 CB LYS A 93 9.164 -1.601 -7.563 1.00 0.00 C ATOM 1406 CG LYS A 93 8.832 -0.546 -8.620 1.00 0.00 C ATOM 1407 CD LYS A 93 7.662 -0.998 -9.497 1.00 0.00 C ATOM 1408 CE LYS A 93 8.152 -1.446 -10.876 1.00 0.00 C ATOM 1409 NZ LYS A 93 7.734 -0.476 -11.914 1.00 0.00 N ATOM 0 H LYS A 93 11.087 -3.161 -6.895 1.00 0.00 H new ATOM 0 HA LYS A 93 10.732 -0.249 -7.176 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.350 -2.560 -8.047 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.310 -1.739 -6.900 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.583 0.397 -8.133 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.708 -0.361 -9.242 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.134 -1.818 -9.011 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.949 -0.181 -9.608 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.238 -1.537 -10.871 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.751 -2.432 -11.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.074 -0.794 -12.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.696 -0.409 -11.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.138 0.458 -11.699 1.00 0.00 H new ATOM 1423 N GLU A 94 10.303 0.322 -4.869 1.00 0.00 N ATOM 1424 CA GLU A 94 10.055 0.719 -3.494 1.00 0.00 C ATOM 1425 C GLU A 94 8.855 1.665 -3.423 1.00 0.00 C ATOM 1426 O GLU A 94 8.820 2.683 -4.112 1.00 0.00 O ATOM 1427 CB GLU A 94 11.298 1.364 -2.877 1.00 0.00 C ATOM 1428 CG GLU A 94 11.420 1.011 -1.393 1.00 0.00 C ATOM 1429 CD GLU A 94 12.556 1.796 -0.735 1.00 0.00 C ATOM 1430 OE1 GLU A 94 12.464 3.043 -0.743 1.00 0.00 O ATOM 1431 OE2 GLU A 94 13.491 1.132 -0.238 1.00 0.00 O ATOM 0 H GLU A 94 10.650 1.067 -5.472 1.00 0.00 H new ATOM 0 HA GLU A 94 9.824 -0.175 -2.915 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.188 1.028 -3.409 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.246 2.446 -2.994 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.481 1.229 -0.885 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.601 -0.058 -1.283 1.00 0.00 H new ATOM 1438 N TYR A 95 7.899 1.295 -2.583 1.00 0.00 N ATOM 1439 CA TYR A 95 6.700 2.098 -2.413 1.00 0.00 C ATOM 1440 C TYR A 95 6.495 2.473 -0.944 1.00 0.00 C ATOM 1441 O TYR A 95 7.033 1.819 -0.052 1.00 0.00 O ATOM 1442 CB TYR A 95 5.535 1.218 -2.870 1.00 0.00 C ATOM 1443 CG TYR A 95 5.451 1.035 -4.387 1.00 0.00 C ATOM 1444 CD1 TYR A 95 4.933 2.042 -5.175 1.00 0.00 C ATOM 1445 CD2 TYR A 95 5.893 -0.137 -4.966 1.00 0.00 C ATOM 1446 CE1 TYR A 95 4.854 1.870 -6.603 1.00 0.00 C ATOM 1447 CE2 TYR A 95 5.813 -0.309 -6.393 1.00 0.00 C ATOM 1448 CZ TYR A 95 5.298 0.703 -7.141 1.00 0.00 C ATOM 1449 OH TYR A 95 5.223 0.540 -8.490 1.00 0.00 O ATOM 0 H TYR A 95 7.931 0.450 -2.013 1.00 0.00 H new ATOM 0 HA TYR A 95 6.774 3.024 -2.984 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.627 0.239 -2.401 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.602 1.655 -2.515 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.587 2.959 -4.721 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.299 -0.925 -4.349 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.451 2.650 -7.232 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.154 -1.221 -6.859 1.00 0.00 H new ATOM 0 HH TYR A 95 5.305 1.412 -8.930 1.00 0.00 H new ATOM 1459 N LEU A 96 5.715 3.524 -0.738 1.00 0.00 N ATOM 1460 CA LEU A 96 5.432 3.994 0.608 1.00 0.00 C ATOM 1461 C LEU A 96 3.925 4.205 0.763 1.00 0.00 C ATOM 1462 O LEU A 96 3.340 5.052 0.091 1.00 0.00 O ATOM 1463 CB LEU A 96 6.263 5.239 0.927 1.00 0.00 C ATOM 1464 CG LEU A 96 7.685 4.985 1.430 1.00 0.00 C ATOM 1465 CD1 LEU A 96 8.364 6.294 1.839 1.00 0.00 C ATOM 1466 CD2 LEU A 96 7.690 3.959 2.565 1.00 0.00 C ATOM 0 H LEU A 96 5.270 4.064 -1.481 1.00 0.00 H new ATOM 0 HA LEU A 96 5.727 3.245 1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.321 5.853 0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.732 5.823 1.678 1.00 0.00 H new ATOM 0 HG LEU A 96 8.266 4.562 0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.374 6.085 2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.412 6.963 0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.791 6.768 2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.713 3.797 2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.087 4.330 3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.273 3.018 2.207 1.00 0.00 H new ATOM 1478 N PHE A 97 3.339 3.418 1.655 1.00 0.00 N ATOM 1479 CA PHE A 97 1.911 3.508 1.907 1.00 0.00 C ATOM 1480 C PHE A 97 1.635 3.913 3.356 1.00 0.00 C ATOM 1481 O PHE A 97 2.146 3.292 4.287 1.00 0.00 O ATOM 1482 CB PHE A 97 1.325 2.117 1.659 1.00 0.00 C ATOM 1483 CG PHE A 97 1.561 1.586 0.244 1.00 0.00 C ATOM 1484 CD1 PHE A 97 0.719 1.938 -0.765 1.00 0.00 C ATOM 1485 CD2 PHE A 97 2.614 0.761 -0.006 1.00 0.00 C ATOM 1486 CE1 PHE A 97 0.938 1.444 -2.078 1.00 0.00 C ATOM 1487 CE2 PHE A 97 2.833 0.268 -1.320 1.00 0.00 C ATOM 1488 CZ PHE A 97 1.991 0.620 -2.328 1.00 0.00 C ATOM 0 H PHE A 97 3.827 2.716 2.211 1.00 0.00 H new ATOM 0 HA PHE A 97 1.465 4.260 1.256 1.00 0.00 H new ATOM 0 HB2 PHE A 97 1.758 1.419 2.375 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.252 2.146 1.851 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.116 2.593 -0.567 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.283 0.481 0.794 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.268 1.723 -2.878 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.669 -0.387 -1.519 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.158 0.245 -3.327 1.00 0.00 H new ATOM 1498 N GLN A 98 0.827 4.954 3.503 1.00 0.00 N ATOM 1499 CA GLN A 98 0.477 5.450 4.823 1.00 0.00 C ATOM 1500 C GLN A 98 -0.888 4.906 5.249 1.00 0.00 C ATOM 1501 O GLN A 98 -1.901 5.192 4.612 1.00 0.00 O ATOM 1502 CB GLN A 98 0.493 6.979 4.856 1.00 0.00 C ATOM 1503 CG GLN A 98 0.169 7.500 6.258 1.00 0.00 C ATOM 1504 CD GLN A 98 -0.559 8.844 6.188 1.00 0.00 C ATOM 1505 OE1 GLN A 98 -0.743 9.426 5.131 1.00 0.00 O ATOM 1506 NE2 GLN A 98 -0.962 9.303 7.369 1.00 0.00 N ATOM 0 H GLN A 98 0.405 5.467 2.729 1.00 0.00 H new ATOM 0 HA GLN A 98 1.225 5.097 5.533 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.473 7.343 4.546 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.232 7.369 4.142 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.450 6.774 6.786 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.090 7.610 6.831 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.776 8.766 8.216 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.458 10.193 7.428 1.00 0.00 H new ATOM 1515 N ALA A 99 -0.872 4.132 6.324 1.00 0.00 N ATOM 1516 CA ALA A 99 -2.096 3.546 6.842 1.00 0.00 C ATOM 1517 C ALA A 99 -2.712 4.492 7.875 1.00 0.00 C ATOM 1518 O ALA A 99 -1.996 5.232 8.548 1.00 0.00 O ATOM 1519 CB ALA A 99 -1.794 2.163 7.425 1.00 0.00 C ATOM 0 H ALA A 99 -0.031 3.897 6.850 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.825 3.411 6.043 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.713 1.723 7.814 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.386 1.520 6.645 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.068 2.259 8.232 1.00 0.00 H new ATOM 1525 N LYS A 100 -4.032 4.436 7.969 1.00 0.00 N ATOM 1526 CA LYS A 100 -4.752 5.279 8.908 1.00 0.00 C ATOM 1527 C LYS A 100 -4.147 5.112 10.304 1.00 0.00 C ATOM 1528 O LYS A 100 -3.985 6.087 11.035 1.00 0.00 O ATOM 1529 CB LYS A 100 -6.253 4.987 8.849 1.00 0.00 C ATOM 1530 CG LYS A 100 -6.663 4.002 9.946 1.00 0.00 C ATOM 1531 CD LYS A 100 -8.159 3.691 9.871 1.00 0.00 C ATOM 1532 CE LYS A 100 -8.503 2.452 10.700 1.00 0.00 C ATOM 1533 NZ LYS A 100 -8.663 2.811 12.127 1.00 0.00 N ATOM 0 H LYS A 100 -4.622 3.820 7.410 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.645 6.329 8.637 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.813 5.916 8.961 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.509 4.577 7.872 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.091 3.080 9.845 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.423 4.420 10.924 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.730 4.546 10.233 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.449 3.530 8.833 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.423 2.001 10.327 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.716 1.705 10.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.710 1.944 12.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.852 3.385 12.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.540 3.357 12.252 1.00 0.00 H new ATOM 1547 N ASP A 101 -3.831 3.867 10.631 1.00 0.00 N ATOM 1548 CA ASP A 101 -3.248 3.559 11.926 1.00 0.00 C ATOM 1549 C ASP A 101 -2.480 2.239 11.833 1.00 0.00 C ATOM 1550 O ASP A 101 -2.580 1.527 10.835 1.00 0.00 O ATOM 1551 CB ASP A 101 -4.331 3.402 12.995 1.00 0.00 C ATOM 1552 CG ASP A 101 -5.244 4.617 13.173 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -4.689 5.727 13.323 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -6.476 4.408 13.156 1.00 0.00 O ATOM 0 H ASP A 101 -3.968 3.060 10.022 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.586 4.380 12.202 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.946 2.538 12.744 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.850 3.185 13.949 1.00 0.00 H new ATOM 1559 N GLU A 102 -1.731 1.952 12.888 1.00 0.00 N ATOM 1560 CA GLU A 102 -0.946 0.730 12.938 1.00 0.00 C ATOM 1561 C GLU A 102 -1.821 -0.477 12.592 1.00 0.00 C ATOM 1562 O GLU A 102 -1.352 -1.428 11.969 1.00 0.00 O ATOM 1563 CB GLU A 102 -0.290 0.556 14.310 1.00 0.00 C ATOM 1564 CG GLU A 102 0.915 1.486 14.463 1.00 0.00 C ATOM 1565 CD GLU A 102 1.944 0.896 15.430 1.00 0.00 C ATOM 1566 OE1 GLU A 102 2.155 -0.334 15.353 1.00 0.00 O ATOM 1567 OE2 GLU A 102 2.495 1.688 16.224 1.00 0.00 O ATOM 0 H GLU A 102 -1.651 2.544 13.714 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.150 0.802 12.197 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.018 0.765 15.094 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.027 -0.479 14.437 1.00 0.00 H new ATOM 0 HG2 GLU A 102 1.378 1.651 13.490 1.00 0.00 H new ATOM 0 HG3 GLU A 102 0.584 2.459 14.827 1.00 0.00 H new ATOM 1574 N ALA A 103 -3.075 -0.398 13.010 1.00 0.00 N ATOM 1575 CA ALA A 103 -4.019 -1.471 12.752 1.00 0.00 C ATOM 1576 C ALA A 103 -4.108 -1.715 11.244 1.00 0.00 C ATOM 1577 O ALA A 103 -3.765 -2.794 10.764 1.00 0.00 O ATOM 1578 CB ALA A 103 -5.375 -1.118 13.367 1.00 0.00 C ATOM 0 H ALA A 103 -3.460 0.393 13.526 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.682 -2.398 13.216 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -6.083 -1.924 13.173 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.263 -0.985 14.443 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.746 -0.194 12.924 1.00 0.00 H new ATOM 1584 N GLU A 104 -4.571 -0.693 10.538 1.00 0.00 N ATOM 1585 CA GLU A 104 -4.709 -0.782 9.095 1.00 0.00 C ATOM 1586 C GLU A 104 -3.448 -1.390 8.477 1.00 0.00 C ATOM 1587 O GLU A 104 -3.523 -2.382 7.754 1.00 0.00 O ATOM 1588 CB GLU A 104 -5.011 0.589 8.487 1.00 0.00 C ATOM 1589 CG GLU A 104 -5.246 0.481 6.979 1.00 0.00 C ATOM 1590 CD GLU A 104 -6.726 0.672 6.640 1.00 0.00 C ATOM 1591 OE1 GLU A 104 -7.518 -0.208 7.041 1.00 0.00 O ATOM 1592 OE2 GLU A 104 -7.031 1.694 5.987 1.00 0.00 O ATOM 0 H GLU A 104 -4.855 0.201 10.939 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.552 -1.436 8.870 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.892 1.017 8.966 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.181 1.268 8.681 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.650 1.232 6.460 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.911 -0.493 6.624 1.00 0.00 H new ATOM 1599 N MET A 105 -2.319 -0.770 8.786 1.00 0.00 N ATOM 1600 CA MET A 105 -1.043 -1.238 8.270 1.00 0.00 C ATOM 1601 C MET A 105 -0.780 -2.686 8.689 1.00 0.00 C ATOM 1602 O MET A 105 -0.697 -3.575 7.844 1.00 0.00 O ATOM 1603 CB MET A 105 0.080 -0.342 8.796 1.00 0.00 C ATOM 1604 CG MET A 105 1.404 -0.656 8.097 1.00 0.00 C ATOM 1605 SD MET A 105 2.305 -1.889 9.023 1.00 0.00 S ATOM 1606 CE MET A 105 3.051 -0.854 10.272 1.00 0.00 C ATOM 0 H MET A 105 -2.261 0.052 9.387 1.00 0.00 H new ATOM 0 HA MET A 105 -1.075 -1.195 7.181 1.00 0.00 H new ATOM 0 HB2 MET A 105 -0.180 0.705 8.637 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.190 -0.483 9.871 1.00 0.00 H new ATOM 0 HG2 MET A 105 1.215 -1.015 7.085 1.00 0.00 H new ATOM 0 HG3 MET A 105 2.001 0.251 8.006 1.00 0.00 H new ATOM 0 HE1 MET A 105 3.299 -1.458 11.145 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.959 -0.401 9.874 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.351 -0.070 10.560 1.00 0.00 H new ATOM 1616 N SER A 106 -0.656 -2.877 9.994 1.00 0.00 N ATOM 1617 CA SER A 106 -0.403 -4.201 10.536 1.00 0.00 C ATOM 1618 C SER A 106 -1.128 -5.256 9.698 1.00 0.00 C ATOM 1619 O SER A 106 -0.565 -6.308 9.396 1.00 0.00 O ATOM 1620 CB SER A 106 -0.844 -4.291 11.999 1.00 0.00 C ATOM 1621 OG SER A 106 -0.295 -5.432 12.652 1.00 0.00 O ATOM 0 H SER A 106 -0.726 -2.137 10.692 1.00 0.00 H new ATOM 0 HA SER A 106 0.670 -4.388 10.496 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.536 -3.388 12.527 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.932 -4.334 12.048 1.00 0.00 H new ATOM 0 HG SER A 106 -0.598 -5.453 13.584 1.00 0.00 H new ATOM 1627 N SER A 107 -2.365 -4.939 9.346 1.00 0.00 N ATOM 1628 CA SER A 107 -3.172 -5.846 8.548 1.00 0.00 C ATOM 1629 C SER A 107 -2.566 -5.996 7.151 1.00 0.00 C ATOM 1630 O SER A 107 -2.348 -7.112 6.681 1.00 0.00 O ATOM 1631 CB SER A 107 -4.618 -5.355 8.449 1.00 0.00 C ATOM 1632 OG SER A 107 -5.541 -6.304 8.976 1.00 0.00 O ATOM 0 H SER A 107 -2.828 -4.066 9.599 1.00 0.00 H new ATOM 0 HA SER A 107 -3.180 -6.819 9.040 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.719 -4.413 8.988 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.862 -5.153 7.406 1.00 0.00 H new ATOM 0 HG SER A 107 -6.452 -5.953 8.896 1.00 0.00 H new ATOM 1638 N TRP A 108 -2.310 -4.856 6.526 1.00 0.00 N ATOM 1639 CA TRP A 108 -1.733 -4.846 5.193 1.00 0.00 C ATOM 1640 C TRP A 108 -0.540 -5.804 5.187 1.00 0.00 C ATOM 1641 O TRP A 108 -0.545 -6.803 4.471 1.00 0.00 O ATOM 1642 CB TRP A 108 -1.361 -3.424 4.767 1.00 0.00 C ATOM 1643 CG TRP A 108 -2.480 -2.681 4.035 1.00 0.00 C ATOM 1644 CD1 TRP A 108 -3.211 -1.649 4.478 1.00 0.00 C ATOM 1645 CD2 TRP A 108 -2.968 -2.955 2.705 1.00 0.00 C ATOM 1646 NE1 TRP A 108 -4.132 -1.240 3.534 1.00 0.00 N ATOM 1647 CE2 TRP A 108 -3.979 -2.060 2.422 1.00 0.00 C ATOM 1648 CE3 TRP A 108 -2.569 -3.928 1.772 1.00 0.00 C ATOM 1649 CZ2 TRP A 108 -4.675 -2.048 1.207 1.00 0.00 C ATOM 1650 CZ3 TRP A 108 -3.274 -3.904 0.563 1.00 0.00 C ATOM 1651 CH2 TRP A 108 -4.294 -3.009 0.263 1.00 0.00 C ATOM 0 H TRP A 108 -2.492 -3.932 6.919 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.459 -5.190 4.456 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -1.078 -2.853 5.651 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -0.484 -3.467 4.121 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -3.094 -1.194 5.451 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -4.801 -0.477 3.634 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -1.780 -4.638 1.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -5.463 -1.336 1.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -3.007 -4.632 -0.189 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -4.791 -3.055 -0.695 1.00 0.00 H new ATOM 1662 N LEU A 109 0.455 -5.464 5.994 1.00 0.00 N ATOM 1663 CA LEU A 109 1.652 -6.281 6.091 1.00 0.00 C ATOM 1664 C LEU A 109 1.254 -7.757 6.158 1.00 0.00 C ATOM 1665 O LEU A 109 1.779 -8.580 5.409 1.00 0.00 O ATOM 1666 CB LEU A 109 2.519 -5.824 7.266 1.00 0.00 C ATOM 1667 CG LEU A 109 3.309 -4.531 7.055 1.00 0.00 C ATOM 1668 CD1 LEU A 109 4.665 -4.817 6.406 1.00 0.00 C ATOM 1669 CD2 LEU A 109 2.493 -3.515 6.252 1.00 0.00 C ATOM 0 H LEU A 109 0.456 -4.634 6.586 1.00 0.00 H new ATOM 0 HA LEU A 109 2.270 -6.158 5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.877 -5.696 8.137 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.223 -6.622 7.504 1.00 0.00 H new ATOM 0 HG LEU A 109 3.506 -4.088 8.031 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.206 -3.881 6.267 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.244 -5.479 7.050 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.512 -5.295 5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.077 -2.605 6.116 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.245 -3.936 5.278 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.575 -3.280 6.790 1.00 0.00 H new ATOM 1681 N ARG A 110 0.329 -8.046 7.061 1.00 0.00 N ATOM 1682 CA ARG A 110 -0.147 -9.408 7.235 1.00 0.00 C ATOM 1683 C ARG A 110 -0.694 -9.953 5.914 1.00 0.00 C ATOM 1684 O ARG A 110 -0.528 -11.133 5.609 1.00 0.00 O ATOM 1685 CB ARG A 110 -1.243 -9.477 8.300 1.00 0.00 C ATOM 1686 CG ARG A 110 -1.923 -10.848 8.299 1.00 0.00 C ATOM 1687 CD ARG A 110 -2.949 -10.952 9.430 1.00 0.00 C ATOM 1688 NE ARG A 110 -3.256 -12.373 9.705 1.00 0.00 N ATOM 1689 CZ ARG A 110 -3.998 -12.795 10.738 1.00 0.00 C ATOM 1690 NH1 ARG A 110 -4.512 -11.907 11.600 1.00 0.00 N ATOM 1691 NH2 ARG A 110 -4.225 -14.104 10.910 1.00 0.00 N ATOM 0 H ARG A 110 -0.104 -7.360 7.680 1.00 0.00 H new ATOM 0 HA ARG A 110 0.698 -10.015 7.560 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.813 -9.281 9.282 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.984 -8.699 8.115 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.415 -11.013 7.340 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -1.172 -11.630 8.411 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.561 -10.475 10.330 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.860 -10.421 9.155 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.879 -13.075 9.068 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.338 -10.910 11.470 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.077 -12.228 12.386 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.833 -14.780 10.255 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -4.790 -14.425 11.696 1.00 0.00 H new ATOM 1705 N VAL A 111 -1.335 -9.067 5.166 1.00 0.00 N ATOM 1706 CA VAL A 111 -1.907 -9.444 3.885 1.00 0.00 C ATOM 1707 C VAL A 111 -0.797 -9.507 2.834 1.00 0.00 C ATOM 1708 O VAL A 111 -0.573 -10.551 2.224 1.00 0.00 O ATOM 1709 CB VAL A 111 -3.032 -8.477 3.510 1.00 0.00 C ATOM 1710 CG1 VAL A 111 -3.795 -8.973 2.280 1.00 0.00 C ATOM 1711 CG2 VAL A 111 -3.980 -8.253 4.690 1.00 0.00 C ATOM 0 H VAL A 111 -1.471 -8.089 5.423 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.355 -10.436 3.944 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.579 -7.518 3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.589 -8.267 2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.110 -9.056 1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.230 -9.950 2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.770 -7.562 4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.422 -9.204 4.987 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.424 -7.833 5.529 1.00 0.00 H new ATOM 1721 N VAL A 112 -0.132 -8.375 2.654 1.00 0.00 N ATOM 1722 CA VAL A 112 0.949 -8.289 1.687 1.00 0.00 C ATOM 1723 C VAL A 112 1.874 -9.496 1.853 1.00 0.00 C ATOM 1724 O VAL A 112 2.391 -10.027 0.871 1.00 0.00 O ATOM 1725 CB VAL A 112 1.678 -6.952 1.835 1.00 0.00 C ATOM 1726 CG1 VAL A 112 2.900 -6.888 0.916 1.00 0.00 C ATOM 1727 CG2 VAL A 112 0.732 -5.779 1.572 1.00 0.00 C ATOM 0 H VAL A 112 -0.321 -7.510 3.161 1.00 0.00 H new ATOM 0 HA VAL A 112 0.556 -8.319 0.671 1.00 0.00 H new ATOM 0 HB VAL A 112 2.029 -6.875 2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 112 3.400 -5.927 1.041 1.00 0.00 H new ATOM 0 HG12 VAL A 112 3.590 -7.692 1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 112 2.582 -6.999 -0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 112 1.276 -4.841 1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 112 0.337 -5.851 0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -0.091 -5.808 2.286 1.00 0.00 H new ATOM 1737 N ASN A 113 2.056 -9.894 3.104 1.00 0.00 N ATOM 1738 CA ASN A 113 2.909 -11.029 3.412 1.00 0.00 C ATOM 1739 C ASN A 113 2.207 -12.320 2.986 1.00 0.00 C ATOM 1740 O ASN A 113 2.853 -13.255 2.515 1.00 0.00 O ATOM 1741 CB ASN A 113 3.190 -11.116 4.913 1.00 0.00 C ATOM 1742 CG ASN A 113 4.486 -10.387 5.272 1.00 0.00 C ATOM 1743 OD1 ASN A 113 5.582 -10.896 5.105 1.00 0.00 O ATOM 1744 ND2 ASN A 113 4.300 -9.169 5.774 1.00 0.00 N ATOM 0 H ASN A 113 1.627 -9.450 3.916 1.00 0.00 H new ATOM 0 HA ASN A 113 3.849 -10.899 2.877 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.359 -10.681 5.468 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.262 -12.161 5.213 1.00 0.00 H new ATOM 0 HD21 ASN A 113 5.103 -8.601 6.045 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.355 -8.803 5.887 1.00 0.00 H new ATOM 1751 N ALA A 114 0.895 -12.330 3.167 1.00 0.00 N ATOM 1752 CA ALA A 114 0.099 -13.491 2.808 1.00 0.00 C ATOM 1753 C ALA A 114 0.025 -13.601 1.284 1.00 0.00 C ATOM 1754 O ALA A 114 -0.288 -14.664 0.749 1.00 0.00 O ATOM 1755 CB ALA A 114 -1.285 -13.381 3.453 1.00 0.00 C ATOM 0 H ALA A 114 0.363 -11.552 3.558 1.00 0.00 H new ATOM 0 HA ALA A 114 0.561 -14.404 3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.882 -14.252 3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.179 -13.335 4.537 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -1.781 -12.477 3.098 1.00 0.00 H new ATOM 1761 N ALA A 115 0.317 -12.489 0.627 1.00 0.00 N ATOM 1762 CA ALA A 115 0.288 -12.447 -0.825 1.00 0.00 C ATOM 1763 C ALA A 115 1.658 -12.854 -1.371 1.00 0.00 C ATOM 1764 O ALA A 115 1.746 -13.630 -2.321 1.00 0.00 O ATOM 1765 CB ALA A 115 -0.132 -11.050 -1.288 1.00 0.00 C ATOM 0 H ALA A 115 0.575 -11.609 1.074 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.445 -13.154 -1.214 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.154 -11.019 -2.377 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.124 -10.821 -0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 115 0.582 -10.314 -0.918 1.00 0.00 H new ATOM 1771 N ILE A 116 2.693 -12.312 -0.746 1.00 0.00 N ATOM 1772 CA ILE A 116 4.055 -12.610 -1.156 1.00 0.00 C ATOM 1773 C ILE A 116 4.266 -14.125 -1.149 1.00 0.00 C ATOM 1774 O ILE A 116 4.635 -14.709 -2.167 1.00 0.00 O ATOM 1775 CB ILE A 116 5.056 -11.845 -0.288 1.00 0.00 C ATOM 1776 CG1 ILE A 116 5.095 -10.364 -0.671 1.00 0.00 C ATOM 1777 CG2 ILE A 116 6.441 -12.491 -0.350 1.00 0.00 C ATOM 1778 CD1 ILE A 116 5.729 -9.527 0.442 1.00 0.00 C ATOM 0 H ILE A 116 2.616 -11.668 0.041 1.00 0.00 H new ATOM 0 HA ILE A 116 4.228 -12.269 -2.177 1.00 0.00 H new ATOM 0 HB ILE A 116 4.722 -11.900 0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.662 -10.238 -1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.083 -10.009 -0.867 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.133 -11.928 0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.380 -13.518 0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.798 -12.488 -1.380 1.00 0.00 H new ATOM 0 HD11 ILE A 116 5.745 -8.478 0.145 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.146 -9.636 1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.749 -9.869 0.619 1.00 0.00 H new ATOM 1790 N ALA A 117 4.023 -14.719 0.010 1.00 0.00 N ATOM 1791 CA ALA A 117 4.182 -16.155 0.163 1.00 0.00 C ATOM 1792 C ALA A 117 3.363 -16.872 -0.912 1.00 0.00 C ATOM 1793 O ALA A 117 3.832 -17.838 -1.513 1.00 0.00 O ATOM 1794 CB ALA A 117 3.771 -16.566 1.579 1.00 0.00 C ATOM 0 H ALA A 117 3.717 -14.232 0.852 1.00 0.00 H new ATOM 0 HA ALA A 117 5.225 -16.442 0.029 1.00 0.00 H new ATOM 0 HB1 ALA A 117 3.890 -17.643 1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.401 -16.052 2.305 1.00 0.00 H new ATOM 0 HB3 ALA A 117 2.729 -16.296 1.748 1.00 0.00 H new ATOM 1800 N SER A 118 2.155 -16.371 -1.123 1.00 0.00 N ATOM 1801 CA SER A 118 1.267 -16.951 -2.116 1.00 0.00 C ATOM 1802 C SER A 118 1.675 -16.490 -3.517 1.00 0.00 C ATOM 1803 O SER A 118 0.897 -15.839 -4.211 1.00 0.00 O ATOM 1804 CB SER A 118 -0.190 -16.577 -1.838 1.00 0.00 C ATOM 1805 OG SER A 118 -0.782 -17.426 -0.858 1.00 0.00 O ATOM 0 H SER A 118 1.770 -15.570 -0.623 1.00 0.00 H new ATOM 0 HA SER A 118 1.353 -18.036 -2.058 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.240 -15.542 -1.499 1.00 0.00 H new ATOM 0 HB3 SER A 118 -0.763 -16.637 -2.763 1.00 0.00 H new ATOM 0 HG SER A 118 -1.711 -17.154 -0.708 1.00 0.00 H new