USER MOD reduce.3.24.130724 H: found=0, std=0, add=1136, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1136 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 92 LYS NZ :NH3+ 145:sc= 0.201 (180deg=0.00307) USER MOD Set 1.2: A 180 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 28 MET CE :methyl -145:sc= -0.119 (180deg=-0.174) USER MOD Set 2.2: A 110 MET CE :methyl 158:sc= -0.194 (180deg=-0.96) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.616 K(o=-0.62,f=-3.8!) USER MOD Single : A 19 THR OG1 : rot 73:sc= 1.26 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -159:sc= -0.0787 (180deg=-0.394) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot -130:sc= -0.566 USER MOD Single : A 43 MET CE :methyl 168:sc= -0.779 (180deg=-0.851) USER MOD Single : A 45 LYS NZ :NH3+ 142:sc=-0.00958 (180deg=-0.066) USER MOD Single : A 53 THR OG1 : rot 91:sc= 1.19 USER MOD Single : A 57 THR OG1 : rot 160:sc= -1.17 USER MOD Single : A 61 SER OG : rot -69:sc= 0.37 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -44:sc=-0.000482 USER MOD Single : A 70 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-1.8) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.59) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.873 K(o=-0.87,f=-3.4!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 162:sc= -0.26 (180deg=-1.2) USER MOD Single : A 95 GLN : amide:sc= -0.0305 X(o=-0.031,f=-0.031) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 178:sc= -0.55 (180deg=-0.556) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0924 USER MOD Single : A 101 SER OG : rot 61:sc= 0.413 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 TYR OH : rot -135:sc= 0.621 USER MOD Single : A 107 LYS NZ :NH3+ -177:sc= 0.784 (180deg=0.776) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= -0.564 X(o=-0.56,f=-0.72) USER MOD Single : A 112 THR OG1 : rot -170:sc= 0.0388 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= -1.88 X(o=-1.9,f=-1.6) USER MOD Single : A 130 GLN : amide:sc= -0.0582 K(o=-0.058,f=-1.3) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 171 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 182 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 122 N ASP A 12 5.560 12.150 -14.203 1.00 31.51 N ATOM 123 CA ASP A 12 4.533 13.072 -14.675 1.00 21.55 C ATOM 124 C ASP A 12 4.419 14.278 -13.748 1.00 31.12 C ATOM 125 O ASP A 12 4.024 15.364 -14.171 1.00 13.51 O ATOM 126 CB ASP A 12 3.184 12.359 -14.773 1.00 35.42 C ATOM 127 CG ASP A 12 2.490 12.611 -16.097 1.00 44.22 C ATOM 128 OD1 ASP A 12 3.143 12.448 -17.150 1.00 22.35 O ATOM 129 OD2 ASP A 12 1.295 12.971 -16.082 1.00 0.44 O ATOM 0 HA ASP A 12 4.822 13.424 -15.665 1.00 21.55 H new ATOM 0 HB2 ASP A 12 3.333 11.287 -14.642 1.00 35.42 H new ATOM 0 HB3 ASP A 12 2.540 12.693 -13.959 1.00 35.42 H new ATOM 134 N LYS A 13 4.767 14.079 -12.481 1.00 14.21 N ATOM 135 CA LYS A 13 4.704 15.150 -11.493 1.00 32.31 C ATOM 136 C LYS A 13 5.764 16.210 -11.772 1.00 12.51 C ATOM 137 O LYS A 13 5.526 17.404 -11.587 1.00 11.03 O ATOM 138 CB LYS A 13 4.893 14.583 -10.084 1.00 34.01 C ATOM 139 CG LYS A 13 5.152 15.646 -9.030 1.00 51.05 C ATOM 140 CD LYS A 13 4.294 15.428 -7.795 1.00 64.22 C ATOM 141 CE LYS A 13 4.235 16.677 -6.930 1.00 51.41 C ATOM 142 NZ LYS A 13 4.020 16.348 -5.494 1.00 20.01 N ATOM 0 H LYS A 13 5.096 13.186 -12.114 1.00 14.21 H new ATOM 0 HA LYS A 13 3.721 15.617 -11.562 1.00 32.31 H new ATOM 0 HB2 LYS A 13 4.003 14.018 -9.807 1.00 34.01 H new ATOM 0 HB3 LYS A 13 5.727 13.881 -10.093 1.00 34.01 H new ATOM 0 HG2 LYS A 13 6.205 15.632 -8.749 1.00 51.05 H new ATOM 0 HG3 LYS A 13 4.946 16.632 -9.448 1.00 51.05 H new ATOM 0 HD2 LYS A 13 3.285 15.145 -8.097 1.00 64.22 H new ATOM 0 HD3 LYS A 13 4.697 14.599 -7.212 1.00 64.22 H new ATOM 0 HE2 LYS A 13 5.163 17.238 -7.039 1.00 51.41 H new ATOM 0 HE3 LYS A 13 3.429 17.323 -7.279 1.00 51.41 H new ATOM 0 HZ1 LYS A 13 3.986 17.226 -4.938 1.00 20.01 H new ATOM 0 HZ2 LYS A 13 3.122 15.835 -5.386 1.00 20.01 H new ATOM 0 HZ3 LYS A 13 4.802 15.753 -5.153 1.00 20.01 H new ATOM 156 N VAL A 14 6.934 15.767 -12.220 1.00 4.53 N ATOM 157 CA VAL A 14 8.030 16.679 -12.527 1.00 0.11 C ATOM 158 C VAL A 14 7.663 17.612 -13.676 1.00 22.23 C ATOM 159 O VAL A 14 8.076 18.772 -13.703 1.00 74.45 O ATOM 160 CB VAL A 14 9.313 15.911 -12.894 1.00 25.42 C ATOM 161 CG1 VAL A 14 10.489 16.867 -13.025 1.00 62.44 C ATOM 162 CG2 VAL A 14 9.604 14.835 -11.859 1.00 31.54 C ATOM 0 H VAL A 14 7.148 14.782 -12.379 1.00 4.53 H new ATOM 0 HA VAL A 14 8.213 17.268 -11.628 1.00 0.11 H new ATOM 0 HB VAL A 14 9.161 15.425 -13.858 1.00 25.42 H new ATOM 0 HG11 VAL A 14 11.387 16.306 -13.285 1.00 62.44 H new ATOM 0 HG12 VAL A 14 10.279 17.597 -13.806 1.00 62.44 H new ATOM 0 HG13 VAL A 14 10.645 17.384 -12.078 1.00 62.44 H new ATOM 0 HG21 VAL A 14 10.514 14.302 -12.134 1.00 31.54 H new ATOM 0 HG22 VAL A 14 9.736 15.297 -10.881 1.00 31.54 H new ATOM 0 HG23 VAL A 14 8.771 14.133 -11.819 1.00 31.54 H new ATOM 172 N TYR A 15 6.886 17.098 -14.622 1.00 74.11 N ATOM 173 CA TYR A 15 6.464 17.884 -15.775 1.00 41.24 C ATOM 174 C TYR A 15 5.490 18.983 -15.359 1.00 64.44 C ATOM 175 O TYR A 15 5.410 20.030 -16.000 1.00 10.21 O ATOM 176 CB TYR A 15 5.813 16.981 -16.825 1.00 4.05 C ATOM 177 CG TYR A 15 5.347 17.723 -18.057 1.00 34.15 C ATOM 178 CD1 TYR A 15 6.159 18.667 -18.672 1.00 63.03 C ATOM 179 CD2 TYR A 15 4.093 17.481 -18.604 1.00 71.12 C ATOM 180 CE1 TYR A 15 5.737 19.348 -19.798 1.00 32.13 C ATOM 181 CE2 TYR A 15 3.663 18.156 -19.730 1.00 72.10 C ATOM 182 CZ TYR A 15 4.488 19.088 -20.323 1.00 41.50 C ATOM 183 OH TYR A 15 4.063 19.764 -21.444 1.00 12.11 O ATOM 0 H TYR A 15 6.535 16.140 -14.613 1.00 74.11 H new ATOM 0 HA TYR A 15 7.349 18.352 -16.206 1.00 41.24 H new ATOM 0 HB2 TYR A 15 6.526 16.212 -17.122 1.00 4.05 H new ATOM 0 HB3 TYR A 15 4.962 16.470 -16.375 1.00 4.05 H new ATOM 0 HD1 TYR A 15 7.137 18.872 -18.263 1.00 63.03 H new ATOM 0 HD2 TYR A 15 3.443 16.753 -18.141 1.00 71.12 H new ATOM 0 HE1 TYR A 15 6.381 20.079 -20.264 1.00 32.13 H new ATOM 0 HE2 TYR A 15 2.686 17.955 -20.144 1.00 72.10 H new ATOM 0 HH TYR A 15 3.162 19.463 -21.685 1.00 12.11 H new ATOM 193 N GLU A 16 4.753 18.734 -14.281 1.00 62.15 N ATOM 194 CA GLU A 16 3.785 19.701 -13.779 1.00 54.45 C ATOM 195 C GLU A 16 4.476 20.792 -12.967 1.00 2.21 C ATOM 196 O GLU A 16 4.294 21.982 -13.223 1.00 73.50 O ATOM 197 CB GLU A 16 2.730 19.001 -12.920 1.00 53.41 C ATOM 198 CG GLU A 16 2.115 19.899 -11.860 1.00 0.25 C ATOM 199 CD GLU A 16 1.485 21.147 -12.446 1.00 14.42 C ATOM 200 OE1 GLU A 16 0.627 21.014 -13.344 1.00 0.15 O ATOM 201 OE2 GLU A 16 1.849 22.258 -12.006 1.00 3.10 O ATOM 0 H GLU A 16 4.808 17.872 -13.739 1.00 62.15 H new ATOM 0 HA GLU A 16 3.296 20.165 -14.636 1.00 54.45 H new ATOM 0 HB2 GLU A 16 1.939 18.623 -13.568 1.00 53.41 H new ATOM 0 HB3 GLU A 16 3.184 18.137 -12.434 1.00 53.41 H new ATOM 0 HG2 GLU A 16 1.359 19.339 -11.309 1.00 0.25 H new ATOM 0 HG3 GLU A 16 2.884 20.187 -11.143 1.00 0.25 H new ATOM 208 N ASN A 17 5.271 20.377 -11.986 1.00 14.15 N ATOM 209 CA ASN A 17 5.989 21.318 -11.134 1.00 1.10 C ATOM 210 C ASN A 17 6.741 22.347 -11.973 1.00 72.23 C ATOM 211 O ASN A 17 6.633 23.551 -11.742 1.00 0.10 O ATOM 212 CB ASN A 17 6.968 20.571 -10.225 1.00 52.35 C ATOM 213 CG ASN A 17 6.268 19.595 -9.300 1.00 73.44 C ATOM 214 OD1 ASN A 17 6.526 18.392 -9.339 1.00 71.54 O ATOM 215 ND2 ASN A 17 5.376 20.110 -8.462 1.00 75.54 N ATOM 0 H ASN A 17 5.434 19.396 -11.761 1.00 14.15 H new ATOM 0 HA ASN A 17 5.258 21.842 -10.518 1.00 1.10 H new ATOM 0 HB2 ASN A 17 7.690 20.032 -10.838 1.00 52.35 H new ATOM 0 HB3 ASN A 17 7.530 21.292 -9.631 1.00 52.35 H new ATOM 0 HD21 ASN A 17 4.873 19.502 -7.816 1.00 75.54 H new ATOM 0 HD22 ASN A 17 5.194 21.114 -8.464 1.00 75.54 H new ATOM 222 N VAL A 18 7.502 21.863 -12.950 1.00 3.33 N ATOM 223 CA VAL A 18 8.271 22.740 -13.825 1.00 71.02 C ATOM 224 C VAL A 18 7.363 23.731 -14.545 1.00 61.33 C ATOM 225 O VAL A 18 7.811 24.784 -15.000 1.00 11.01 O ATOM 226 CB VAL A 18 9.064 21.934 -14.871 1.00 22.22 C ATOM 227 CG1 VAL A 18 10.145 21.102 -14.197 1.00 13.14 C ATOM 228 CG2 VAL A 18 8.129 21.051 -15.683 1.00 64.34 C ATOM 0 H VAL A 18 7.602 20.869 -13.155 1.00 3.33 H new ATOM 0 HA VAL A 18 8.970 23.286 -13.191 1.00 71.02 H new ATOM 0 HB VAL A 18 9.549 22.633 -15.552 1.00 22.22 H new ATOM 0 HG11 VAL A 18 10.695 20.539 -14.952 1.00 13.14 H new ATOM 0 HG12 VAL A 18 10.831 21.760 -13.664 1.00 13.14 H new ATOM 0 HG13 VAL A 18 9.685 20.410 -13.492 1.00 13.14 H new ATOM 0 HG21 VAL A 18 8.706 20.489 -16.417 1.00 64.34 H new ATOM 0 HG22 VAL A 18 7.614 20.358 -15.018 1.00 64.34 H new ATOM 0 HG23 VAL A 18 7.396 21.673 -16.197 1.00 64.34 H new ATOM 238 N THR A 19 6.083 23.387 -14.646 1.00 32.21 N ATOM 239 CA THR A 19 5.111 24.245 -15.311 1.00 52.12 C ATOM 240 C THR A 19 4.483 25.228 -14.330 1.00 35.11 C ATOM 241 O THR A 19 4.402 26.425 -14.601 1.00 43.20 O ATOM 242 CB THR A 19 3.995 23.419 -15.978 1.00 31.42 C ATOM 243 OG1 THR A 19 4.567 22.414 -16.823 1.00 3.31 O ATOM 244 CG2 THR A 19 3.075 24.312 -16.795 1.00 54.25 C ATOM 0 H THR A 19 5.695 22.519 -14.275 1.00 32.21 H new ATOM 0 HA THR A 19 5.652 24.798 -16.079 1.00 52.12 H new ATOM 0 HB THR A 19 3.408 22.942 -15.193 1.00 31.42 H new ATOM 0 HG1 THR A 19 4.957 21.705 -16.270 1.00 3.31 H new ATOM 0 HG21 THR A 19 2.295 23.706 -17.256 1.00 54.25 H new ATOM 0 HG22 THR A 19 2.618 25.057 -16.143 1.00 54.25 H new ATOM 0 HG23 THR A 19 3.651 24.814 -17.572 1.00 54.25 H new ATOM 252 N GLY A 20 4.038 24.714 -13.187 1.00 22.30 N ATOM 253 CA GLY A 20 3.423 25.561 -12.182 1.00 21.20 C ATOM 254 C GLY A 20 4.264 26.779 -11.857 1.00 41.30 C ATOM 255 O GLY A 20 3.795 27.913 -11.962 1.00 55.20 O ATOM 0 H GLY A 20 4.093 23.726 -12.939 1.00 22.30 H new ATOM 0 HA2 GLY A 20 2.443 25.883 -12.533 1.00 21.20 H new ATOM 0 HA3 GLY A 20 3.261 24.982 -11.273 1.00 21.20 H new ATOM 259 N LEU A 21 5.510 26.547 -11.460 1.00 3.13 N ATOM 260 CA LEU A 21 6.419 27.635 -11.116 1.00 42.23 C ATOM 261 C LEU A 21 6.470 28.674 -12.232 1.00 4.54 C ATOM 262 O LEU A 21 6.546 29.876 -11.972 1.00 73.43 O ATOM 263 CB LEU A 21 7.822 27.089 -10.848 1.00 65.53 C ATOM 264 CG LEU A 21 8.497 26.369 -12.017 1.00 32.44 C ATOM 265 CD1 LEU A 21 9.362 27.334 -12.811 1.00 4.42 C ATOM 266 CD2 LEU A 21 9.326 25.196 -11.513 1.00 43.25 C ATOM 0 H LEU A 21 5.914 25.615 -11.368 1.00 3.13 H new ATOM 0 HA LEU A 21 6.045 28.116 -10.212 1.00 42.23 H new ATOM 0 HB2 LEU A 21 8.460 27.918 -10.541 1.00 65.53 H new ATOM 0 HB3 LEU A 21 7.767 26.399 -10.006 1.00 65.53 H new ATOM 0 HG LEU A 21 7.721 25.983 -12.678 1.00 32.44 H new ATOM 0 HD11 LEU A 21 9.834 26.804 -13.638 1.00 4.42 H new ATOM 0 HD12 LEU A 21 8.742 28.140 -13.203 1.00 4.42 H new ATOM 0 HD13 LEU A 21 10.132 27.751 -12.162 1.00 4.42 H new ATOM 0 HD21 LEU A 21 9.799 24.695 -12.358 1.00 43.25 H new ATOM 0 HD22 LEU A 21 10.094 25.560 -10.830 1.00 43.25 H new ATOM 0 HD23 LEU A 21 8.679 24.492 -10.989 1.00 43.25 H new ATOM 278 N VAL A 22 6.427 28.204 -13.474 1.00 50.22 N ATOM 279 CA VAL A 22 6.465 29.093 -14.630 1.00 30.34 C ATOM 280 C VAL A 22 5.220 29.970 -14.689 1.00 53.13 C ATOM 281 O VAL A 22 5.293 31.150 -15.034 1.00 64.35 O ATOM 282 CB VAL A 22 6.584 28.299 -15.944 1.00 71.02 C ATOM 283 CG1 VAL A 22 6.495 29.233 -17.142 1.00 25.33 C ATOM 284 CG2 VAL A 22 7.881 27.505 -15.971 1.00 43.23 C ATOM 0 H VAL A 22 6.366 27.213 -13.706 1.00 50.22 H new ATOM 0 HA VAL A 22 7.346 29.725 -14.515 1.00 30.34 H new ATOM 0 HB VAL A 22 5.753 27.595 -16.000 1.00 71.02 H new ATOM 0 HG11 VAL A 22 6.581 28.654 -18.062 1.00 25.33 H new ATOM 0 HG12 VAL A 22 5.537 29.752 -17.128 1.00 25.33 H new ATOM 0 HG13 VAL A 22 7.304 29.963 -17.095 1.00 25.33 H new ATOM 0 HG21 VAL A 22 7.948 26.950 -16.907 1.00 43.23 H new ATOM 0 HG22 VAL A 22 8.727 28.188 -15.892 1.00 43.23 H new ATOM 0 HG23 VAL A 22 7.898 26.808 -15.133 1.00 43.23 H new ATOM 294 N LYS A 23 4.075 29.387 -14.350 1.00 60.02 N ATOM 295 CA LYS A 23 2.812 30.115 -14.363 1.00 33.12 C ATOM 296 C LYS A 23 2.885 31.348 -13.467 1.00 61.44 C ATOM 297 O LYS A 23 2.377 32.412 -13.818 1.00 33.01 O ATOM 298 CB LYS A 23 1.670 29.205 -13.903 1.00 64.13 C ATOM 299 CG LYS A 23 1.562 27.916 -14.699 1.00 60.15 C ATOM 300 CD LYS A 23 0.159 27.336 -14.634 1.00 10.22 C ATOM 301 CE LYS A 23 0.120 25.910 -15.162 1.00 53.51 C ATOM 302 NZ LYS A 23 -1.264 25.487 -15.514 1.00 40.32 N ATOM 0 H LYS A 23 3.996 28.412 -14.063 1.00 60.02 H new ATOM 0 HA LYS A 23 2.620 30.441 -15.385 1.00 33.12 H new ATOM 0 HB2 LYS A 23 1.812 28.961 -12.850 1.00 64.13 H new ATOM 0 HB3 LYS A 23 0.729 29.750 -13.980 1.00 64.13 H new ATOM 0 HG2 LYS A 23 1.830 28.106 -15.738 1.00 60.15 H new ATOM 0 HG3 LYS A 23 2.276 27.188 -14.313 1.00 60.15 H new ATOM 0 HD2 LYS A 23 -0.196 27.353 -13.603 1.00 10.22 H new ATOM 0 HD3 LYS A 23 -0.521 27.959 -15.215 1.00 10.22 H new ATOM 0 HE2 LYS A 23 0.759 25.831 -16.042 1.00 53.51 H new ATOM 0 HE3 LYS A 23 0.527 25.233 -14.411 1.00 53.51 H new ATOM 0 HZ1 LYS A 23 -1.248 24.510 -15.870 1.00 40.32 H new ATOM 0 HZ2 LYS A 23 -1.868 25.538 -14.669 1.00 40.32 H new ATOM 0 HZ3 LYS A 23 -1.643 26.117 -16.249 1.00 40.32 H new ATOM 316 N ALA A 24 3.522 31.196 -12.311 1.00 2.21 N ATOM 317 CA ALA A 24 3.665 32.298 -11.367 1.00 51.15 C ATOM 318 C ALA A 24 4.550 33.400 -11.940 1.00 52.02 C ATOM 319 O ALA A 24 4.236 34.585 -11.825 1.00 22.12 O ATOM 320 CB ALA A 24 4.233 31.794 -10.049 1.00 62.12 C ATOM 0 H ALA A 24 3.947 30.321 -12.005 1.00 2.21 H new ATOM 0 HA ALA A 24 2.676 32.719 -11.186 1.00 51.15 H new ATOM 0 HB1 ALA A 24 4.334 32.628 -9.354 1.00 62.12 H new ATOM 0 HB2 ALA A 24 3.561 31.048 -9.625 1.00 62.12 H new ATOM 0 HB3 ALA A 24 5.211 31.345 -10.222 1.00 62.12 H new ATOM 326 N VAL A 25 5.658 33.002 -12.558 1.00 13.13 N ATOM 327 CA VAL A 25 6.588 33.956 -13.149 1.00 2.21 C ATOM 328 C VAL A 25 5.868 34.915 -14.091 1.00 30.24 C ATOM 329 O VAL A 25 6.260 36.074 -14.232 1.00 32.34 O ATOM 330 CB VAL A 25 7.710 33.240 -13.923 1.00 64.32 C ATOM 331 CG1 VAL A 25 8.695 34.249 -14.493 1.00 53.45 C ATOM 332 CG2 VAL A 25 8.421 32.238 -13.025 1.00 42.43 C ATOM 0 H VAL A 25 5.933 32.025 -12.662 1.00 13.13 H new ATOM 0 HA VAL A 25 7.027 34.521 -12.326 1.00 2.21 H new ATOM 0 HB VAL A 25 7.263 32.696 -14.755 1.00 64.32 H new ATOM 0 HG11 VAL A 25 9.480 33.724 -15.036 1.00 53.45 H new ATOM 0 HG12 VAL A 25 8.173 34.924 -15.172 1.00 53.45 H new ATOM 0 HG13 VAL A 25 9.138 34.824 -13.680 1.00 53.45 H new ATOM 0 HG21 VAL A 25 9.211 31.741 -13.588 1.00 42.43 H new ATOM 0 HG22 VAL A 25 8.856 32.759 -12.172 1.00 42.43 H new ATOM 0 HG23 VAL A 25 7.706 31.496 -12.671 1.00 42.43 H new ATOM 342 N ILE A 26 4.813 34.424 -14.732 1.00 62.04 N ATOM 343 CA ILE A 26 4.037 35.238 -15.660 1.00 21.23 C ATOM 344 C ILE A 26 3.100 36.180 -14.912 1.00 41.42 C ATOM 345 O ILE A 26 3.163 37.397 -15.083 1.00 0.43 O ATOM 346 CB ILE A 26 3.209 34.363 -16.619 1.00 51.02 C ATOM 347 CG1 ILE A 26 4.104 33.325 -17.299 1.00 41.23 C ATOM 348 CG2 ILE A 26 2.511 35.230 -17.657 1.00 33.53 C ATOM 349 CD1 ILE A 26 5.167 33.933 -18.188 1.00 12.23 C ATOM 0 H ILE A 26 4.476 33.467 -14.626 1.00 62.04 H new ATOM 0 HA ILE A 26 4.750 35.823 -16.240 1.00 21.23 H new ATOM 0 HB ILE A 26 2.448 33.837 -16.042 1.00 51.02 H new ATOM 0 HG12 ILE A 26 4.586 32.716 -16.534 1.00 41.23 H new ATOM 0 HG13 ILE A 26 3.483 32.656 -17.895 1.00 41.23 H new ATOM 0 HG21 ILE A 26 1.930 34.597 -18.328 1.00 33.53 H new ATOM 0 HG22 ILE A 26 1.847 35.934 -17.156 1.00 33.53 H new ATOM 0 HG23 ILE A 26 3.256 35.780 -18.232 1.00 33.53 H new ATOM 0 HD11 ILE A 26 5.764 33.139 -18.637 1.00 12.23 H new ATOM 0 HD12 ILE A 26 4.692 34.519 -18.975 1.00 12.23 H new ATOM 0 HD13 ILE A 26 5.812 34.580 -17.593 1.00 12.23 H new ATOM 361 N GLU A 27 2.233 35.609 -14.082 1.00 71.13 N ATOM 362 CA GLU A 27 1.283 36.399 -13.308 1.00 3.33 C ATOM 363 C GLU A 27 1.996 37.515 -12.548 1.00 72.41 C ATOM 364 O GLU A 27 1.670 38.691 -12.702 1.00 53.22 O ATOM 365 CB GLU A 27 0.522 35.505 -12.327 1.00 10.01 C ATOM 366 CG GLU A 27 -0.986 35.552 -12.506 1.00 32.44 C ATOM 367 CD GLU A 27 -1.521 36.968 -12.585 1.00 43.45 C ATOM 368 OE1 GLU A 27 -0.885 37.876 -12.010 1.00 52.21 O ATOM 369 OE2 GLU A 27 -2.575 37.169 -13.224 1.00 72.11 O ATOM 0 H GLU A 27 2.169 34.603 -13.928 1.00 71.13 H new ATOM 0 HA GLU A 27 0.574 36.850 -14.002 1.00 3.33 H new ATOM 0 HB2 GLU A 27 0.862 34.476 -12.447 1.00 10.01 H new ATOM 0 HB3 GLU A 27 0.768 35.805 -11.309 1.00 10.01 H new ATOM 0 HG2 GLU A 27 -1.257 35.014 -13.415 1.00 32.44 H new ATOM 0 HG3 GLU A 27 -1.463 35.033 -11.674 1.00 32.44 H new ATOM 376 N MET A 28 2.970 37.135 -11.727 1.00 52.04 N ATOM 377 CA MET A 28 3.729 38.103 -10.944 1.00 61.20 C ATOM 378 C MET A 28 4.383 39.142 -11.849 1.00 71.24 C ATOM 379 O MET A 28 4.487 40.315 -11.490 1.00 75.40 O ATOM 380 CB MET A 28 4.797 37.391 -10.111 1.00 13.22 C ATOM 381 CG MET A 28 5.909 36.777 -10.945 1.00 5.51 C ATOM 382 SD MET A 28 7.339 37.865 -11.103 1.00 61.35 S ATOM 383 CE MET A 28 8.047 37.735 -9.463 1.00 61.54 C ATOM 0 H MET A 28 3.252 36.165 -11.587 1.00 52.04 H new ATOM 0 HA MET A 28 3.037 38.614 -10.275 1.00 61.20 H new ATOM 0 HB2 MET A 28 5.231 38.102 -9.408 1.00 13.22 H new ATOM 0 HB3 MET A 28 4.323 36.608 -9.520 1.00 13.22 H new ATOM 0 HG2 MET A 28 6.221 35.836 -10.491 1.00 5.51 H new ATOM 0 HG3 MET A 28 5.526 36.541 -11.938 1.00 5.51 H new ATOM 0 HE1 MET A 28 8.478 38.694 -9.176 1.00 61.54 H new ATOM 0 HE2 MET A 28 7.269 37.460 -8.751 1.00 61.54 H new ATOM 0 HE3 MET A 28 8.826 36.972 -9.462 1.00 61.54 H new ATOM 393 N SER A 29 4.823 38.703 -13.025 1.00 13.54 N ATOM 394 CA SER A 29 5.470 39.595 -13.979 1.00 43.24 C ATOM 395 C SER A 29 4.504 40.675 -14.457 1.00 35.34 C ATOM 396 O SER A 29 4.920 41.739 -14.914 1.00 64.33 O ATOM 397 CB SER A 29 5.996 38.800 -15.176 1.00 42.42 C ATOM 398 OG SER A 29 5.940 39.571 -16.364 1.00 70.44 O ATOM 0 H SER A 29 4.743 37.736 -13.339 1.00 13.54 H new ATOM 0 HA SER A 29 6.307 40.079 -13.476 1.00 43.24 H new ATOM 0 HB2 SER A 29 7.024 38.490 -14.988 1.00 42.42 H new ATOM 0 HB3 SER A 29 5.407 37.891 -15.300 1.00 42.42 H new ATOM 0 HG SER A 29 6.283 39.042 -17.114 1.00 70.44 H new ATOM 404 N SER A 30 3.209 40.392 -14.346 1.00 45.10 N ATOM 405 CA SER A 30 2.182 41.336 -14.769 1.00 51.24 C ATOM 406 C SER A 30 1.995 42.437 -13.730 1.00 54.41 C ATOM 407 O SER A 30 2.064 43.625 -14.047 1.00 1.11 O ATOM 408 CB SER A 30 0.856 40.609 -15.003 1.00 64.00 C ATOM 409 OG SER A 30 0.188 41.120 -16.143 1.00 42.52 O ATOM 0 H SER A 30 2.847 39.517 -13.967 1.00 45.10 H new ATOM 0 HA SER A 30 2.507 41.794 -15.703 1.00 51.24 H new ATOM 0 HB2 SER A 30 1.041 39.543 -15.133 1.00 64.00 H new ATOM 0 HB3 SER A 30 0.219 40.717 -14.125 1.00 64.00 H new ATOM 0 HG SER A 30 -0.655 40.638 -16.272 1.00 42.52 H new ATOM 415 N LYS A 31 1.756 42.034 -12.487 1.00 4.23 N ATOM 416 CA LYS A 31 1.560 42.984 -11.398 1.00 52.22 C ATOM 417 C LYS A 31 2.862 43.218 -10.639 1.00 12.53 C ATOM 418 O LYS A 31 2.849 43.632 -9.479 1.00 34.42 O ATOM 419 CB LYS A 31 0.482 42.476 -10.439 1.00 34.14 C ATOM 420 CG LYS A 31 0.884 41.223 -9.680 1.00 41.00 C ATOM 421 CD LYS A 31 -0.255 40.220 -9.616 1.00 35.15 C ATOM 422 CE LYS A 31 -1.318 40.647 -8.615 1.00 54.50 C ATOM 423 NZ LYS A 31 -0.794 40.661 -7.221 1.00 55.41 N ATOM 0 H LYS A 31 1.693 41.055 -12.208 1.00 4.23 H new ATOM 0 HA LYS A 31 1.237 43.931 -11.829 1.00 52.22 H new ATOM 0 HB2 LYS A 31 0.244 43.263 -9.724 1.00 34.14 H new ATOM 0 HB3 LYS A 31 -0.428 42.272 -11.004 1.00 34.14 H new ATOM 0 HG2 LYS A 31 1.747 40.765 -10.164 1.00 41.00 H new ATOM 0 HG3 LYS A 31 1.191 41.492 -8.669 1.00 41.00 H new ATOM 0 HD2 LYS A 31 -0.705 40.115 -10.603 1.00 35.15 H new ATOM 0 HD3 LYS A 31 0.136 39.241 -9.338 1.00 35.15 H new ATOM 0 HE2 LYS A 31 -1.684 41.640 -8.875 1.00 54.50 H new ATOM 0 HE3 LYS A 31 -2.168 39.968 -8.676 1.00 54.50 H new ATOM 0 HZ1 LYS A 31 -1.587 40.602 -6.551 1.00 55.41 H new ATOM 0 HZ2 LYS A 31 -0.161 39.848 -7.080 1.00 55.41 H new ATOM 0 HZ3 LYS A 31 -0.267 41.543 -7.057 1.00 55.41 H new ATOM 437 N ILE A 32 3.983 42.953 -11.300 1.00 42.52 N ATOM 438 CA ILE A 32 5.293 43.138 -10.687 1.00 52.35 C ATOM 439 C ILE A 32 5.509 44.592 -10.279 1.00 73.45 C ATOM 440 O ILE A 32 6.049 44.872 -9.210 1.00 30.10 O ATOM 441 CB ILE A 32 6.425 42.710 -11.640 1.00 2.54 C ATOM 442 CG1 ILE A 32 7.788 42.950 -10.987 1.00 10.34 C ATOM 443 CG2 ILE A 32 6.323 43.465 -12.957 1.00 31.31 C ATOM 444 CD1 ILE A 32 7.985 42.181 -9.699 1.00 71.12 C ATOM 0 H ILE A 32 4.011 42.609 -12.260 1.00 42.52 H new ATOM 0 HA ILE A 32 5.318 42.507 -9.799 1.00 52.35 H new ATOM 0 HB ILE A 32 6.323 41.644 -11.846 1.00 2.54 H new ATOM 0 HG12 ILE A 32 8.573 42.672 -11.690 1.00 10.34 H new ATOM 0 HG13 ILE A 32 7.903 44.015 -10.786 1.00 10.34 H new ATOM 0 HG21 ILE A 32 7.130 43.152 -13.620 1.00 31.31 H new ATOM 0 HG22 ILE A 32 5.363 43.249 -13.427 1.00 31.31 H new ATOM 0 HG23 ILE A 32 6.403 44.536 -12.770 1.00 31.31 H new ATOM 0 HD11 ILE A 32 8.972 42.399 -9.292 1.00 71.12 H new ATOM 0 HD12 ILE A 32 7.222 42.476 -8.979 1.00 71.12 H new ATOM 0 HD13 ILE A 32 7.903 41.112 -9.897 1.00 71.12 H new ATOM 456 N GLN A 33 5.081 45.511 -11.138 1.00 41.44 N ATOM 457 CA GLN A 33 5.227 46.936 -10.866 1.00 52.52 C ATOM 458 C GLN A 33 4.478 47.328 -9.597 1.00 33.44 C ATOM 459 O GLN A 33 5.064 47.795 -8.620 1.00 53.20 O ATOM 460 CB GLN A 33 4.713 47.758 -12.050 1.00 11.45 C ATOM 461 CG GLN A 33 5.819 48.290 -12.947 1.00 13.11 C ATOM 462 CD GLN A 33 5.507 48.119 -14.421 1.00 23.13 C ATOM 463 OE1 GLN A 33 5.717 47.048 -14.991 1.00 34.21 O ATOM 464 NE2 GLN A 33 5.004 49.176 -15.046 1.00 51.44 N ATOM 0 H GLN A 33 4.631 45.295 -12.027 1.00 41.44 H new ATOM 0 HA GLN A 33 6.287 47.145 -10.720 1.00 52.52 H new ATOM 0 HB2 GLN A 33 4.039 47.141 -12.645 1.00 11.45 H new ATOM 0 HB3 GLN A 33 4.128 48.597 -11.673 1.00 11.45 H new ATOM 0 HG2 GLN A 33 5.978 49.347 -12.733 1.00 13.11 H new ATOM 0 HG3 GLN A 33 6.750 47.774 -12.714 1.00 13.11 H new ATOM 0 HE21 GLN A 33 4.846 50.044 -14.534 1.00 51.44 H new ATOM 0 HE22 GLN A 33 4.775 49.120 -16.038 1.00 51.44 H new ATOM 473 N PRO A 34 3.151 47.133 -9.608 1.00 53.13 N ATOM 474 CA PRO A 34 2.293 47.459 -8.465 1.00 72.21 C ATOM 475 C PRO A 34 2.519 46.520 -7.285 1.00 14.22 C ATOM 476 O PRO A 34 1.982 46.734 -6.198 1.00 71.13 O ATOM 477 CB PRO A 34 0.878 47.286 -9.023 1.00 32.32 C ATOM 478 CG PRO A 34 1.029 46.318 -10.145 1.00 72.31 C ATOM 479 CD PRO A 34 2.386 46.580 -10.738 1.00 74.52 C ATOM 0 HA PRO A 34 2.493 48.457 -8.076 1.00 72.21 H new ATOM 0 HB2 PRO A 34 0.196 46.907 -8.262 1.00 32.32 H new ATOM 0 HB3 PRO A 34 0.471 48.235 -9.371 1.00 32.32 H new ATOM 0 HG2 PRO A 34 0.951 45.291 -9.788 1.00 72.31 H new ATOM 0 HG3 PRO A 34 0.245 46.457 -10.889 1.00 72.31 H new ATOM 0 HD2 PRO A 34 2.840 45.666 -11.122 1.00 74.52 H new ATOM 0 HD3 PRO A 34 2.332 47.283 -11.569 1.00 74.52 H new ATOM 487 N ALA A 35 3.317 45.481 -7.506 1.00 34.34 N ATOM 488 CA ALA A 35 3.615 44.511 -6.459 1.00 43.01 C ATOM 489 C ALA A 35 4.007 45.208 -5.160 1.00 72.15 C ATOM 490 O ALA A 35 5.095 45.769 -5.033 1.00 1.15 O ATOM 491 CB ALA A 35 4.723 43.571 -6.911 1.00 4.31 C ATOM 0 H ALA A 35 3.769 45.289 -8.400 1.00 34.34 H new ATOM 0 HA ALA A 35 2.713 43.928 -6.270 1.00 43.01 H new ATOM 0 HB1 ALA A 35 4.935 42.852 -6.120 1.00 4.31 H new ATOM 0 HB2 ALA A 35 4.406 43.040 -7.808 1.00 4.31 H new ATOM 0 HB3 ALA A 35 5.622 44.147 -7.129 1.00 4.31 H new ATOM 497 N PRO A 36 3.100 45.174 -4.173 1.00 32.41 N ATOM 498 CA PRO A 36 3.328 45.798 -2.866 1.00 63.42 C ATOM 499 C PRO A 36 4.388 45.064 -2.051 1.00 41.30 C ATOM 500 O PRO A 36 4.807 43.956 -2.386 1.00 40.24 O ATOM 501 CB PRO A 36 1.963 45.697 -2.182 1.00 11.34 C ATOM 502 CG PRO A 36 1.298 44.534 -2.832 1.00 34.21 C ATOM 503 CD PRO A 36 1.782 44.523 -4.256 1.00 34.44 C ATOM 0 HA PRO A 36 3.698 46.819 -2.960 1.00 63.42 H new ATOM 0 HB2 PRO A 36 2.069 45.543 -1.108 1.00 11.34 H new ATOM 0 HB3 PRO A 36 1.384 46.610 -2.317 1.00 11.34 H new ATOM 0 HG2 PRO A 36 1.555 43.604 -2.325 1.00 34.21 H new ATOM 0 HG3 PRO A 36 0.213 44.631 -2.789 1.00 34.21 H new ATOM 0 HD2 PRO A 36 1.859 43.508 -4.647 1.00 34.44 H new ATOM 0 HD3 PRO A 36 1.105 45.068 -4.915 1.00 34.44 H new ATOM 511 N PRO A 37 4.833 45.695 -0.954 1.00 30.31 N ATOM 512 CA PRO A 37 5.849 45.119 -0.068 1.00 0.34 C ATOM 513 C PRO A 37 5.324 43.920 0.715 1.00 50.42 C ATOM 514 O PRO A 37 6.100 43.102 1.208 1.00 54.32 O ATOM 515 CB PRO A 37 6.185 46.272 0.882 1.00 61.10 C ATOM 516 CG PRO A 37 4.965 47.127 0.886 1.00 4.31 C ATOM 517 CD PRO A 37 4.378 47.017 -0.494 1.00 11.42 C ATOM 0 HA PRO A 37 6.707 44.741 -0.624 1.00 0.34 H new ATOM 0 HB2 PRO A 37 6.415 45.906 1.883 1.00 61.10 H new ATOM 0 HB3 PRO A 37 7.057 46.828 0.537 1.00 61.10 H new ATOM 0 HG2 PRO A 37 4.254 46.789 1.640 1.00 4.31 H new ATOM 0 HG3 PRO A 37 5.214 48.161 1.123 1.00 4.31 H new ATOM 0 HD2 PRO A 37 3.290 47.083 -0.474 1.00 11.42 H new ATOM 0 HD3 PRO A 37 4.734 47.814 -1.147 1.00 11.42 H new ATOM 525 N GLU A 38 4.003 43.823 0.824 1.00 54.30 N ATOM 526 CA GLU A 38 3.375 42.723 1.547 1.00 4.53 C ATOM 527 C GLU A 38 3.185 41.513 0.638 1.00 25.43 C ATOM 528 O GLU A 38 3.020 40.389 1.112 1.00 64.24 O ATOM 529 CB GLU A 38 2.026 43.163 2.118 1.00 15.21 C ATOM 530 CG GLU A 38 2.044 43.388 3.621 1.00 61.33 C ATOM 531 CD GLU A 38 2.379 42.128 4.395 1.00 73.52 C ATOM 532 OE1 GLU A 38 1.455 41.328 4.654 1.00 15.42 O ATOM 533 OE2 GLU A 38 3.564 41.940 4.741 1.00 14.33 O ATOM 0 H GLU A 38 3.347 44.492 0.421 1.00 54.30 H new ATOM 0 HA GLU A 38 4.033 42.439 2.368 1.00 4.53 H new ATOM 0 HB2 GLU A 38 1.716 44.084 1.625 1.00 15.21 H new ATOM 0 HB3 GLU A 38 1.277 42.407 1.881 1.00 15.21 H new ATOM 0 HG2 GLU A 38 2.774 44.162 3.860 1.00 61.33 H new ATOM 0 HG3 GLU A 38 1.070 43.758 3.941 1.00 61.33 H new ATOM 540 N GLU A 39 3.210 41.752 -0.669 1.00 73.22 N ATOM 541 CA GLU A 39 3.039 40.681 -1.644 1.00 53.12 C ATOM 542 C GLU A 39 4.383 40.061 -2.013 1.00 24.14 C ATOM 543 O GLU A 39 4.440 39.013 -2.657 1.00 5.21 O ATOM 544 CB GLU A 39 2.348 41.212 -2.902 1.00 51.20 C ATOM 545 CG GLU A 39 2.089 40.144 -3.951 1.00 44.24 C ATOM 546 CD GLU A 39 1.288 38.976 -3.410 1.00 52.41 C ATOM 547 OE1 GLU A 39 0.176 39.209 -2.892 1.00 74.34 O ATOM 548 OE2 GLU A 39 1.773 37.830 -3.505 1.00 25.41 O ATOM 0 H GLU A 39 3.347 42.677 -1.077 1.00 73.22 H new ATOM 0 HA GLU A 39 2.414 39.910 -1.192 1.00 53.12 H new ATOM 0 HB2 GLU A 39 1.400 41.670 -2.620 1.00 51.20 H new ATOM 0 HB3 GLU A 39 2.963 41.998 -3.340 1.00 51.20 H new ATOM 0 HG2 GLU A 39 1.555 40.588 -4.791 1.00 44.24 H new ATOM 0 HG3 GLU A 39 3.042 39.779 -4.335 1.00 44.24 H new ATOM 555 N TYR A 40 5.463 40.716 -1.600 1.00 31.43 N ATOM 556 CA TYR A 40 6.808 40.231 -1.888 1.00 54.12 C ATOM 557 C TYR A 40 7.182 39.078 -0.962 1.00 12.33 C ATOM 558 O TYR A 40 7.892 38.154 -1.357 1.00 63.11 O ATOM 559 CB TYR A 40 7.823 41.366 -1.744 1.00 60.03 C ATOM 560 CG TYR A 40 8.844 41.409 -2.858 1.00 44.43 C ATOM 561 CD1 TYR A 40 9.384 40.240 -3.379 1.00 21.11 C ATOM 562 CD2 TYR A 40 9.269 42.621 -3.391 1.00 20.40 C ATOM 563 CE1 TYR A 40 10.318 40.275 -4.396 1.00 41.11 C ATOM 564 CE2 TYR A 40 10.202 42.665 -4.409 1.00 55.43 C ATOM 565 CZ TYR A 40 10.723 41.490 -4.908 1.00 44.11 C ATOM 566 OH TYR A 40 11.653 41.529 -5.922 1.00 55.44 O ATOM 0 H TYR A 40 5.433 41.584 -1.065 1.00 31.43 H new ATOM 0 HA TYR A 40 6.823 39.867 -2.915 1.00 54.12 H new ATOM 0 HB2 TYR A 40 7.291 42.317 -1.713 1.00 60.03 H new ATOM 0 HB3 TYR A 40 8.341 41.260 -0.791 1.00 60.03 H new ATOM 0 HD1 TYR A 40 9.068 39.287 -2.982 1.00 21.11 H new ATOM 0 HD2 TYR A 40 8.863 43.543 -3.003 1.00 20.40 H new ATOM 0 HE1 TYR A 40 10.729 39.356 -4.788 1.00 41.11 H new ATOM 0 HE2 TYR A 40 10.522 43.615 -4.812 1.00 55.43 H new ATOM 0 HH TYR A 40 12.365 42.160 -5.688 1.00 55.44 H new ATOM 576 N VAL A 41 6.697 39.140 0.275 1.00 42.04 N ATOM 577 CA VAL A 41 6.978 38.101 1.259 1.00 41.54 C ATOM 578 C VAL A 41 6.663 36.718 0.702 1.00 22.51 C ATOM 579 O VAL A 41 7.519 35.834 0.646 1.00 11.14 O ATOM 580 CB VAL A 41 6.169 38.319 2.551 1.00 1.30 C ATOM 581 CG1 VAL A 41 5.853 36.987 3.214 1.00 12.41 C ATOM 582 CG2 VAL A 41 6.925 39.233 3.504 1.00 33.24 C ATOM 0 H VAL A 41 6.108 39.898 0.619 1.00 42.04 H new ATOM 0 HA VAL A 41 8.041 38.163 1.490 1.00 41.54 H new ATOM 0 HB VAL A 41 5.226 38.801 2.293 1.00 1.30 H new ATOM 0 HG11 VAL A 41 5.281 37.161 4.125 1.00 12.41 H new ATOM 0 HG12 VAL A 41 5.269 36.370 2.531 1.00 12.41 H new ATOM 0 HG13 VAL A 41 6.782 36.474 3.461 1.00 12.41 H new ATOM 0 HG21 VAL A 41 6.339 39.377 4.412 1.00 33.24 H new ATOM 0 HG22 VAL A 41 7.884 38.781 3.758 1.00 33.24 H new ATOM 0 HG23 VAL A 41 7.095 40.197 3.025 1.00 33.24 H new ATOM 592 N PRO A 42 5.405 36.522 0.279 1.00 4.11 N ATOM 593 CA PRO A 42 4.948 35.247 -0.282 1.00 41.42 C ATOM 594 C PRO A 42 5.557 34.965 -1.652 1.00 15.44 C ATOM 595 O PRO A 42 5.806 33.813 -2.005 1.00 2.33 O ATOM 596 CB PRO A 42 3.433 35.434 -0.398 1.00 42.23 C ATOM 597 CG PRO A 42 3.240 36.907 -0.508 1.00 45.34 C ATOM 598 CD PRO A 42 4.333 37.531 0.316 1.00 61.44 C ATOM 0 HA PRO A 42 5.241 34.400 0.338 1.00 41.42 H new ATOM 0 HB2 PRO A 42 3.036 34.917 -1.271 1.00 42.23 H new ATOM 0 HB3 PRO A 42 2.917 35.031 0.473 1.00 42.23 H new ATOM 0 HG2 PRO A 42 3.301 37.232 -1.547 1.00 45.34 H new ATOM 0 HG3 PRO A 42 2.257 37.200 -0.139 1.00 45.34 H new ATOM 0 HD2 PRO A 42 4.661 38.482 -0.105 1.00 61.44 H new ATOM 0 HD3 PRO A 42 4.004 37.731 1.336 1.00 61.44 H new ATOM 606 N MET A 43 5.793 36.025 -2.418 1.00 62.24 N ATOM 607 CA MET A 43 6.374 35.890 -3.749 1.00 65.01 C ATOM 608 C MET A 43 7.657 35.065 -3.701 1.00 54.02 C ATOM 609 O MET A 43 7.779 34.049 -4.385 1.00 73.14 O ATOM 610 CB MET A 43 6.663 37.269 -4.345 1.00 5.22 C ATOM 611 CG MET A 43 6.109 37.453 -5.748 1.00 42.22 C ATOM 612 SD MET A 43 4.332 37.757 -5.759 1.00 11.13 S ATOM 613 CE MET A 43 4.266 39.353 -6.570 1.00 21.23 C ATOM 0 H MET A 43 5.591 36.986 -2.141 1.00 62.24 H new ATOM 0 HA MET A 43 5.653 35.372 -4.382 1.00 65.01 H new ATOM 0 HB2 MET A 43 6.240 38.033 -3.693 1.00 5.22 H new ATOM 0 HB3 MET A 43 7.741 37.428 -4.365 1.00 5.22 H new ATOM 0 HG2 MET A 43 6.619 38.287 -6.229 1.00 42.22 H new ATOM 0 HG3 MET A 43 6.325 36.563 -6.339 1.00 42.22 H new ATOM 0 HE1 MET A 43 3.235 39.580 -6.843 1.00 21.23 H new ATOM 0 HE2 MET A 43 4.640 40.121 -5.893 1.00 21.23 H new ATOM 0 HE3 MET A 43 4.883 39.330 -7.468 1.00 21.23 H new ATOM 623 N VAL A 44 8.611 35.509 -2.889 1.00 72.11 N ATOM 624 CA VAL A 44 9.884 34.811 -2.752 1.00 15.04 C ATOM 625 C VAL A 44 9.671 33.347 -2.384 1.00 34.11 C ATOM 626 O VAL A 44 10.374 32.463 -2.874 1.00 53.23 O ATOM 627 CB VAL A 44 10.774 35.473 -1.683 1.00 61.04 C ATOM 628 CG1 VAL A 44 12.082 34.711 -1.531 1.00 34.20 C ATOM 629 CG2 VAL A 44 11.035 36.930 -2.036 1.00 34.23 C ATOM 0 H VAL A 44 8.527 36.349 -2.316 1.00 72.11 H new ATOM 0 HA VAL A 44 10.384 34.871 -3.719 1.00 15.04 H new ATOM 0 HB VAL A 44 10.250 35.442 -0.728 1.00 61.04 H new ATOM 0 HG11 VAL A 44 12.698 35.193 -0.772 1.00 34.20 H new ATOM 0 HG12 VAL A 44 11.872 33.685 -1.230 1.00 34.20 H new ATOM 0 HG13 VAL A 44 12.614 34.709 -2.482 1.00 34.20 H new ATOM 0 HG21 VAL A 44 11.665 37.383 -1.270 1.00 34.23 H new ATOM 0 HG22 VAL A 44 11.539 36.986 -3.001 1.00 34.23 H new ATOM 0 HG23 VAL A 44 10.088 37.467 -2.090 1.00 34.23 H new ATOM 639 N LYS A 45 8.695 33.096 -1.517 1.00 41.22 N ATOM 640 CA LYS A 45 8.386 31.739 -1.084 1.00 25.24 C ATOM 641 C LYS A 45 8.034 30.854 -2.275 1.00 33.11 C ATOM 642 O LYS A 45 8.283 29.649 -2.259 1.00 54.01 O ATOM 643 CB LYS A 45 7.228 31.752 -0.084 1.00 31.23 C ATOM 644 CG LYS A 45 7.674 31.655 1.365 1.00 13.10 C ATOM 645 CD LYS A 45 8.197 32.986 1.878 1.00 41.45 C ATOM 646 CE LYS A 45 9.007 32.813 3.153 1.00 2.01 C ATOM 647 NZ LYS A 45 8.984 34.041 3.996 1.00 64.42 N ATOM 0 H LYS A 45 8.104 33.816 -1.101 1.00 41.22 H new ATOM 0 HA LYS A 45 9.272 31.329 -0.599 1.00 25.24 H new ATOM 0 HB2 LYS A 45 6.654 32.669 -0.218 1.00 31.23 H new ATOM 0 HB3 LYS A 45 6.558 30.921 -0.306 1.00 31.23 H new ATOM 0 HG2 LYS A 45 6.837 31.329 1.983 1.00 13.10 H new ATOM 0 HG3 LYS A 45 8.452 30.897 1.457 1.00 13.10 H new ATOM 0 HD2 LYS A 45 8.817 33.454 1.113 1.00 41.45 H new ATOM 0 HD3 LYS A 45 7.360 33.659 2.066 1.00 41.45 H new ATOM 0 HE2 LYS A 45 8.611 31.973 3.724 1.00 2.01 H new ATOM 0 HE3 LYS A 45 10.038 32.567 2.898 1.00 2.01 H new ATOM 0 HZ1 LYS A 45 8.935 33.772 5.000 1.00 64.42 H new ATOM 0 HZ2 LYS A 45 9.848 34.594 3.827 1.00 64.42 H new ATOM 0 HZ3 LYS A 45 8.152 34.615 3.751 1.00 64.42 H new ATOM 661 N GLU A 46 7.454 31.461 -3.306 1.00 65.22 N ATOM 662 CA GLU A 46 7.069 30.726 -4.506 1.00 11.55 C ATOM 663 C GLU A 46 8.299 30.299 -5.301 1.00 21.13 C ATOM 664 O GLU A 46 8.447 29.129 -5.656 1.00 3.44 O ATOM 665 CB GLU A 46 6.153 31.583 -5.383 1.00 5.13 C ATOM 666 CG GLU A 46 4.774 30.982 -5.592 1.00 60.42 C ATOM 667 CD GLU A 46 4.799 29.765 -6.496 1.00 64.44 C ATOM 668 OE1 GLU A 46 5.453 28.766 -6.130 1.00 30.13 O ATOM 669 OE2 GLU A 46 4.165 29.811 -7.571 1.00 51.52 O ATOM 0 H GLU A 46 7.241 32.458 -3.335 1.00 65.22 H new ATOM 0 HA GLU A 46 6.530 29.831 -4.196 1.00 11.55 H new ATOM 0 HB2 GLU A 46 6.046 32.568 -4.928 1.00 5.13 H new ATOM 0 HB3 GLU A 46 6.627 31.730 -6.354 1.00 5.13 H new ATOM 0 HG2 GLU A 46 4.353 30.704 -4.626 1.00 60.42 H new ATOM 0 HG3 GLU A 46 4.115 31.736 -6.022 1.00 60.42 H new ATOM 676 N VAL A 47 9.179 31.256 -5.578 1.00 24.32 N ATOM 677 CA VAL A 47 10.397 30.979 -6.330 1.00 42.54 C ATOM 678 C VAL A 47 11.330 30.062 -5.548 1.00 62.24 C ATOM 679 O VAL A 47 11.873 29.101 -6.093 1.00 1.33 O ATOM 680 CB VAL A 47 11.147 32.278 -6.681 1.00 3.44 C ATOM 681 CG1 VAL A 47 12.303 31.989 -7.627 1.00 14.41 C ATOM 682 CG2 VAL A 47 10.194 33.297 -7.286 1.00 14.21 C ATOM 0 H VAL A 47 9.071 32.229 -5.293 1.00 24.32 H new ATOM 0 HA VAL A 47 10.094 30.482 -7.252 1.00 42.54 H new ATOM 0 HB VAL A 47 11.557 32.699 -5.763 1.00 3.44 H new ATOM 0 HG11 VAL A 47 12.821 32.919 -7.864 1.00 14.41 H new ATOM 0 HG12 VAL A 47 12.998 31.297 -7.151 1.00 14.41 H new ATOM 0 HG13 VAL A 47 11.919 31.544 -8.545 1.00 14.41 H new ATOM 0 HG21 VAL A 47 10.741 34.208 -7.528 1.00 14.21 H new ATOM 0 HG22 VAL A 47 9.752 32.887 -8.194 1.00 14.21 H new ATOM 0 HG23 VAL A 47 9.405 33.527 -6.570 1.00 14.21 H new ATOM 692 N GLY A 48 11.512 30.364 -4.266 1.00 51.54 N ATOM 693 CA GLY A 48 12.380 29.557 -3.429 1.00 72.13 C ATOM 694 C GLY A 48 11.994 28.091 -3.438 1.00 51.13 C ATOM 695 O GLY A 48 12.858 27.214 -3.430 1.00 25.32 O ATOM 0 H GLY A 48 11.073 31.154 -3.792 1.00 51.54 H new ATOM 0 HA2 GLY A 48 13.409 29.661 -3.772 1.00 72.13 H new ATOM 0 HA3 GLY A 48 12.345 29.933 -2.406 1.00 72.13 H new ATOM 699 N LEU A 49 10.693 27.824 -3.454 1.00 32.42 N ATOM 700 CA LEU A 49 10.194 26.453 -3.462 1.00 75.11 C ATOM 701 C LEU A 49 10.408 25.804 -4.826 1.00 33.44 C ATOM 702 O LEU A 49 10.882 24.672 -4.918 1.00 4.05 O ATOM 703 CB LEU A 49 8.707 26.428 -3.101 1.00 4.44 C ATOM 704 CG LEU A 49 8.282 25.370 -2.082 1.00 53.14 C ATOM 705 CD1 LEU A 49 8.257 25.958 -0.680 1.00 64.20 C ATOM 706 CD2 LEU A 49 6.920 24.797 -2.446 1.00 54.43 C ATOM 0 H LEU A 49 9.965 28.538 -3.462 1.00 32.42 H new ATOM 0 HA LEU A 49 10.752 25.885 -2.718 1.00 75.11 H new ATOM 0 HB2 LEU A 49 8.431 27.409 -2.713 1.00 4.44 H new ATOM 0 HB3 LEU A 49 8.134 26.274 -4.015 1.00 4.44 H new ATOM 0 HG LEU A 49 9.012 24.561 -2.101 1.00 53.14 H new ATOM 0 HD11 LEU A 49 7.952 25.190 0.031 1.00 64.20 H new ATOM 0 HD12 LEU A 49 9.252 26.320 -0.419 1.00 64.20 H new ATOM 0 HD13 LEU A 49 7.549 26.786 -0.645 1.00 64.20 H new ATOM 0 HD21 LEU A 49 6.633 24.046 -1.710 1.00 54.43 H new ATOM 0 HD22 LEU A 49 6.180 25.597 -2.456 1.00 54.43 H new ATOM 0 HD23 LEU A 49 6.971 24.338 -3.433 1.00 54.43 H new ATOM 718 N ALA A 50 10.056 26.529 -5.882 1.00 62.14 N ATOM 719 CA ALA A 50 10.214 26.025 -7.241 1.00 51.31 C ATOM 720 C ALA A 50 11.673 25.701 -7.540 1.00 65.33 C ATOM 721 O ALA A 50 11.982 24.660 -8.123 1.00 51.55 O ATOM 722 CB ALA A 50 9.680 27.037 -8.244 1.00 52.12 C ATOM 0 H ALA A 50 9.660 27.467 -5.823 1.00 62.14 H new ATOM 0 HA ALA A 50 9.639 25.103 -7.330 1.00 51.31 H new ATOM 0 HB1 ALA A 50 9.804 26.648 -9.255 1.00 52.12 H new ATOM 0 HB2 ALA A 50 8.622 27.216 -8.052 1.00 52.12 H new ATOM 0 HB3 ALA A 50 10.231 27.973 -8.145 1.00 52.12 H new ATOM 728 N LEU A 51 12.568 26.597 -7.139 1.00 22.33 N ATOM 729 CA LEU A 51 13.997 26.406 -7.365 1.00 33.25 C ATOM 730 C LEU A 51 14.513 25.196 -6.593 1.00 20.41 C ATOM 731 O LEU A 51 15.016 24.239 -7.183 1.00 3.42 O ATOM 732 CB LEU A 51 14.771 27.658 -6.949 1.00 14.10 C ATOM 733 CG LEU A 51 15.011 28.694 -8.048 1.00 11.14 C ATOM 734 CD1 LEU A 51 13.703 29.058 -8.734 1.00 22.25 C ATOM 735 CD2 LEU A 51 15.677 29.936 -7.473 1.00 64.34 C ATOM 0 H LEU A 51 12.330 27.463 -6.656 1.00 22.33 H new ATOM 0 HA LEU A 51 14.151 26.228 -8.429 1.00 33.25 H new ATOM 0 HB2 LEU A 51 14.231 28.140 -6.134 1.00 14.10 H new ATOM 0 HB3 LEU A 51 15.738 27.348 -6.552 1.00 14.10 H new ATOM 0 HG LEU A 51 15.678 28.259 -8.792 1.00 11.14 H new ATOM 0 HD11 LEU A 51 13.894 29.796 -9.513 1.00 22.25 H new ATOM 0 HD12 LEU A 51 13.265 28.165 -9.180 1.00 22.25 H new ATOM 0 HD13 LEU A 51 13.011 29.474 -8.001 1.00 22.25 H new ATOM 0 HD21 LEU A 51 15.840 30.663 -8.269 1.00 64.34 H new ATOM 0 HD22 LEU A 51 15.034 30.373 -6.709 1.00 64.34 H new ATOM 0 HD23 LEU A 51 16.634 29.663 -7.029 1.00 64.34 H new ATOM 747 N ARG A 52 14.383 25.244 -5.271 1.00 71.52 N ATOM 748 CA ARG A 52 14.835 24.151 -4.419 1.00 23.32 C ATOM 749 C ARG A 52 14.225 22.825 -4.864 1.00 52.12 C ATOM 750 O ARG A 52 14.929 21.829 -5.030 1.00 62.32 O ATOM 751 CB ARG A 52 14.469 24.428 -2.960 1.00 10.43 C ATOM 752 CG ARG A 52 14.746 23.259 -2.029 1.00 40.10 C ATOM 753 CD ARG A 52 13.464 22.539 -1.642 1.00 73.13 C ATOM 754 NE ARG A 52 13.506 22.045 -0.269 1.00 2.14 N ATOM 755 CZ ARG A 52 14.176 20.959 0.102 1.00 55.05 C ATOM 756 NH1 ARG A 52 14.855 20.257 -0.795 1.00 42.50 N ATOM 757 NH2 ARG A 52 14.166 20.573 1.371 1.00 3.00 N ATOM 0 H ARG A 52 13.968 26.028 -4.767 1.00 71.52 H new ATOM 0 HA ARG A 52 15.919 24.080 -4.508 1.00 23.32 H new ATOM 0 HB2 ARG A 52 15.027 25.298 -2.613 1.00 10.43 H new ATOM 0 HB3 ARG A 52 13.411 24.685 -2.902 1.00 10.43 H new ATOM 0 HG2 ARG A 52 15.425 22.559 -2.515 1.00 40.10 H new ATOM 0 HG3 ARG A 52 15.248 23.619 -1.131 1.00 40.10 H new ATOM 0 HD2 ARG A 52 12.619 23.217 -1.757 1.00 73.13 H new ATOM 0 HD3 ARG A 52 13.298 21.704 -2.323 1.00 73.13 H new ATOM 0 HE ARG A 52 12.993 22.562 0.445 1.00 2.14 H new ATOM 0 HH11 ARG A 52 14.864 20.550 -1.772 1.00 42.50 H new ATOM 0 HH12 ARG A 52 15.369 19.424 -0.508 1.00 42.50 H new ATOM 0 HH21 ARG A 52 13.644 21.110 2.063 1.00 3.00 H new ATOM 0 HH22 ARG A 52 14.681 19.739 1.655 1.00 3.00 H new ATOM 771 N THR A 53 12.909 22.820 -5.056 1.00 2.10 N ATOM 772 CA THR A 53 12.203 21.618 -5.480 1.00 63.32 C ATOM 773 C THR A 53 12.686 21.150 -6.848 1.00 44.44 C ATOM 774 O THR A 53 12.864 19.954 -7.080 1.00 24.30 O ATOM 775 CB THR A 53 10.682 21.850 -5.538 1.00 13.44 C ATOM 776 OG1 THR A 53 10.193 22.219 -4.243 1.00 22.10 O ATOM 777 CG2 THR A 53 9.961 20.601 -6.020 1.00 70.33 C ATOM 0 H THR A 53 12.311 23.636 -4.924 1.00 2.10 H new ATOM 0 HA THR A 53 12.418 20.848 -4.739 1.00 63.32 H new ATOM 0 HB THR A 53 10.487 22.657 -6.244 1.00 13.44 H new ATOM 0 HG1 THR A 53 10.211 23.195 -4.153 1.00 22.10 H new ATOM 0 HG21 THR A 53 8.888 20.790 -6.052 1.00 70.33 H new ATOM 0 HG22 THR A 53 10.314 20.339 -7.018 1.00 70.33 H new ATOM 0 HG23 THR A 53 10.164 19.777 -5.336 1.00 70.33 H new ATOM 785 N LEU A 54 12.898 22.101 -7.752 1.00 73.32 N ATOM 786 CA LEU A 54 13.362 21.786 -9.099 1.00 53.10 C ATOM 787 C LEU A 54 14.604 20.902 -9.054 1.00 74.34 C ATOM 788 O LEU A 54 14.769 20.003 -9.880 1.00 73.40 O ATOM 789 CB LEU A 54 13.665 23.073 -9.869 1.00 24.24 C ATOM 790 CG LEU A 54 12.543 23.601 -10.763 1.00 62.52 C ATOM 791 CD1 LEU A 54 12.870 25.001 -11.259 1.00 74.30 C ATOM 792 CD2 LEU A 54 12.308 22.659 -11.935 1.00 62.14 C ATOM 0 H LEU A 54 12.756 23.096 -7.577 1.00 73.32 H new ATOM 0 HA LEU A 54 12.569 21.241 -9.612 1.00 53.10 H new ATOM 0 HB2 LEU A 54 13.925 23.850 -9.150 1.00 24.24 H new ATOM 0 HB3 LEU A 54 14.546 22.903 -10.488 1.00 24.24 H new ATOM 0 HG LEU A 54 11.627 23.651 -10.174 1.00 62.52 H new ATOM 0 HD11 LEU A 54 12.060 25.361 -11.894 1.00 74.30 H new ATOM 0 HD12 LEU A 54 12.988 25.671 -10.407 1.00 74.30 H new ATOM 0 HD13 LEU A 54 13.797 24.977 -11.832 1.00 74.30 H new ATOM 0 HD21 LEU A 54 11.506 23.050 -12.561 1.00 62.14 H new ATOM 0 HD22 LEU A 54 13.221 22.577 -12.524 1.00 62.14 H new ATOM 0 HD23 LEU A 54 12.028 21.674 -11.560 1.00 62.14 H new ATOM 804 N LEU A 55 15.474 21.161 -8.085 1.00 34.05 N ATOM 805 CA LEU A 55 16.700 20.387 -7.930 1.00 64.10 C ATOM 806 C LEU A 55 16.387 18.922 -7.644 1.00 64.30 C ATOM 807 O LEU A 55 16.988 18.022 -8.231 1.00 40.42 O ATOM 808 CB LEU A 55 17.554 20.967 -6.801 1.00 44.45 C ATOM 809 CG LEU A 55 19.068 20.812 -6.957 1.00 14.11 C ATOM 810 CD1 LEU A 55 19.693 22.117 -7.426 1.00 33.15 C ATOM 811 CD2 LEU A 55 19.695 20.359 -5.647 1.00 35.44 C ATOM 0 H LEU A 55 15.353 21.902 -7.394 1.00 34.05 H new ATOM 0 HA LEU A 55 17.257 20.445 -8.865 1.00 64.10 H new ATOM 0 HB2 LEU A 55 17.325 22.029 -6.708 1.00 44.45 H new ATOM 0 HB3 LEU A 55 17.255 20.493 -5.866 1.00 44.45 H new ATOM 0 HG LEU A 55 19.260 20.049 -7.712 1.00 14.11 H new ATOM 0 HD11 LEU A 55 20.770 21.987 -7.531 1.00 33.15 H new ATOM 0 HD12 LEU A 55 19.266 22.400 -8.388 1.00 33.15 H new ATOM 0 HD13 LEU A 55 19.492 22.900 -6.695 1.00 33.15 H new ATOM 0 HD21 LEU A 55 20.772 20.254 -5.776 1.00 35.44 H new ATOM 0 HD22 LEU A 55 19.493 21.098 -4.872 1.00 35.44 H new ATOM 0 HD23 LEU A 55 19.270 19.400 -5.353 1.00 35.44 H new ATOM 823 N ALA A 56 15.442 18.690 -6.740 1.00 33.44 N ATOM 824 CA ALA A 56 15.046 17.334 -6.379 1.00 33.10 C ATOM 825 C ALA A 56 14.269 16.669 -7.511 1.00 2.53 C ATOM 826 O ALA A 56 14.538 15.524 -7.874 1.00 32.34 O ATOM 827 CB ALA A 56 14.216 17.348 -5.104 1.00 15.10 C ATOM 0 H ALA A 56 14.936 19.423 -6.244 1.00 33.44 H new ATOM 0 HA ALA A 56 15.951 16.752 -6.204 1.00 33.10 H new ATOM 0 HB1 ALA A 56 13.927 16.329 -4.847 1.00 15.10 H new ATOM 0 HB2 ALA A 56 14.804 17.775 -4.292 1.00 15.10 H new ATOM 0 HB3 ALA A 56 13.321 17.950 -5.259 1.00 15.10 H new ATOM 833 N THR A 57 13.304 17.395 -8.066 1.00 15.42 N ATOM 834 CA THR A 57 12.487 16.876 -9.155 1.00 74.30 C ATOM 835 C THR A 57 13.356 16.343 -10.288 1.00 52.15 C ATOM 836 O THR A 57 13.243 15.180 -10.677 1.00 3.41 O ATOM 837 CB THR A 57 11.541 17.956 -9.713 1.00 32.02 C ATOM 838 OG1 THR A 57 12.301 19.059 -10.218 1.00 50.21 O ATOM 839 CG2 THR A 57 10.583 18.444 -8.637 1.00 13.33 C ATOM 0 H THR A 57 13.069 18.345 -7.779 1.00 15.42 H new ATOM 0 HA THR A 57 11.892 16.061 -8.743 1.00 74.30 H new ATOM 0 HB THR A 57 10.959 17.515 -10.523 1.00 32.02 H new ATOM 0 HG1 THR A 57 11.751 19.577 -10.842 1.00 50.21 H new ATOM 0 HG21 THR A 57 9.925 19.206 -9.054 1.00 13.33 H new ATOM 0 HG22 THR A 57 9.986 17.607 -8.275 1.00 13.33 H new ATOM 0 HG23 THR A 57 11.151 18.869 -7.809 1.00 13.33 H new ATOM 847 N VAL A 58 14.224 17.201 -10.816 1.00 32.14 N ATOM 848 CA VAL A 58 15.114 16.816 -11.904 1.00 62.30 C ATOM 849 C VAL A 58 16.105 15.748 -11.452 1.00 55.33 C ATOM 850 O VAL A 58 16.500 14.883 -12.234 1.00 3.40 O ATOM 851 CB VAL A 58 15.895 18.028 -12.446 1.00 75.25 C ATOM 852 CG1 VAL A 58 16.815 18.593 -11.375 1.00 54.54 C ATOM 853 CG2 VAL A 58 16.683 17.641 -13.688 1.00 62.34 C ATOM 0 H VAL A 58 14.329 18.167 -10.507 1.00 32.14 H new ATOM 0 HA VAL A 58 14.486 16.413 -12.698 1.00 62.30 H new ATOM 0 HB VAL A 58 15.181 18.804 -12.723 1.00 75.25 H new ATOM 0 HG11 VAL A 58 17.358 19.448 -11.776 1.00 54.54 H new ATOM 0 HG12 VAL A 58 16.223 18.910 -10.517 1.00 54.54 H new ATOM 0 HG13 VAL A 58 17.524 17.826 -11.063 1.00 54.54 H new ATOM 0 HG21 VAL A 58 17.229 18.509 -14.058 1.00 62.34 H new ATOM 0 HG22 VAL A 58 17.388 16.848 -13.439 1.00 62.34 H new ATOM 0 HG23 VAL A 58 15.998 17.288 -14.459 1.00 62.34 H new ATOM 863 N ASP A 59 16.501 15.815 -10.186 1.00 72.01 N ATOM 864 CA ASP A 59 17.444 14.853 -9.629 1.00 24.14 C ATOM 865 C ASP A 59 16.927 13.427 -9.792 1.00 1.11 C ATOM 866 O ASP A 59 17.705 12.493 -9.981 1.00 22.10 O ATOM 867 CB ASP A 59 17.696 15.151 -8.150 1.00 11.33 C ATOM 868 CG ASP A 59 18.988 15.912 -7.924 1.00 71.40 C ATOM 869 OD1 ASP A 59 19.283 16.830 -8.718 1.00 32.13 O ATOM 870 OD2 ASP A 59 19.704 15.589 -6.953 1.00 72.02 O ATOM 0 H ASP A 59 16.184 16.525 -9.526 1.00 72.01 H new ATOM 0 HA ASP A 59 18.383 14.944 -10.175 1.00 24.14 H new ATOM 0 HB2 ASP A 59 16.863 15.730 -7.752 1.00 11.33 H new ATOM 0 HB3 ASP A 59 17.728 14.214 -7.594 1.00 11.33 H new ATOM 875 N GLU A 60 15.609 13.269 -9.716 1.00 64.34 N ATOM 876 CA GLU A 60 14.989 11.956 -9.854 1.00 3.20 C ATOM 877 C GLU A 60 14.670 11.656 -11.316 1.00 20.23 C ATOM 878 O GLU A 60 14.454 10.504 -11.691 1.00 21.51 O ATOM 879 CB GLU A 60 13.712 11.881 -9.016 1.00 34.35 C ATOM 880 CG GLU A 60 13.922 12.231 -7.552 1.00 64.40 C ATOM 881 CD GLU A 60 13.393 11.163 -6.615 1.00 32.33 C ATOM 882 OE1 GLU A 60 12.159 11.085 -6.440 1.00 71.31 O ATOM 883 OE2 GLU A 60 14.213 10.405 -6.056 1.00 62.30 O ATOM 0 H GLU A 60 14.951 14.033 -9.560 1.00 64.34 H new ATOM 0 HA GLU A 60 15.696 11.208 -9.494 1.00 3.20 H new ATOM 0 HB2 GLU A 60 12.970 12.557 -9.439 1.00 34.35 H new ATOM 0 HB3 GLU A 60 13.301 10.874 -9.085 1.00 34.35 H new ATOM 0 HG2 GLU A 60 14.986 12.377 -7.366 1.00 64.40 H new ATOM 0 HG3 GLU A 60 13.427 13.178 -7.334 1.00 64.40 H new ATOM 890 N SER A 61 14.641 12.701 -12.136 1.00 5.31 N ATOM 891 CA SER A 61 14.344 12.551 -13.556 1.00 3.24 C ATOM 892 C SER A 61 15.523 11.925 -14.294 1.00 63.12 C ATOM 893 O SER A 61 15.355 11.311 -15.349 1.00 2.12 O ATOM 894 CB SER A 61 14.004 13.909 -14.173 1.00 71.24 C ATOM 895 OG SER A 61 15.127 14.464 -14.836 1.00 20.32 O ATOM 0 H SER A 61 14.820 13.661 -11.842 1.00 5.31 H new ATOM 0 HA SER A 61 13.483 11.889 -13.655 1.00 3.24 H new ATOM 0 HB2 SER A 61 13.181 13.795 -14.878 1.00 71.24 H new ATOM 0 HB3 SER A 61 13.664 14.591 -13.394 1.00 71.24 H new ATOM 0 HG SER A 61 15.804 14.719 -14.175 1.00 20.32 H new ATOM 901 N LEU A 62 16.717 12.084 -13.733 1.00 13.21 N ATOM 902 CA LEU A 62 17.926 11.535 -14.337 1.00 33.12 C ATOM 903 C LEU A 62 17.751 10.053 -14.654 1.00 2.13 C ATOM 904 O LEU A 62 17.833 9.626 -15.805 1.00 70.54 O ATOM 905 CB LEU A 62 19.121 11.731 -13.402 1.00 73.02 C ATOM 906 CG LEU A 62 20.232 12.646 -13.917 1.00 65.22 C ATOM 907 CD1 LEU A 62 20.872 13.408 -12.767 1.00 53.51 C ATOM 908 CD2 LEU A 62 21.279 11.840 -14.672 1.00 63.14 C ATOM 0 H LEU A 62 16.874 12.589 -12.861 1.00 13.21 H new ATOM 0 HA LEU A 62 18.111 12.068 -15.270 1.00 33.12 H new ATOM 0 HB2 LEU A 62 18.755 12.133 -12.457 1.00 73.02 H new ATOM 0 HB3 LEU A 62 19.553 10.754 -13.187 1.00 73.02 H new ATOM 0 HG LEU A 62 19.792 13.368 -14.605 1.00 65.22 H new ATOM 0 HD11 LEU A 62 21.661 14.054 -13.153 1.00 53.51 H new ATOM 0 HD12 LEU A 62 20.117 14.015 -12.268 1.00 53.51 H new ATOM 0 HD13 LEU A 62 21.298 12.701 -12.055 1.00 53.51 H new ATOM 0 HD21 LEU A 62 22.062 12.507 -15.032 1.00 63.14 H new ATOM 0 HD22 LEU A 62 21.714 11.095 -14.006 1.00 63.14 H new ATOM 0 HD23 LEU A 62 20.811 11.340 -15.520 1.00 63.14 H new ATOM 920 N PRO A 63 17.503 9.250 -13.609 1.00 33.41 N ATOM 921 CA PRO A 63 17.308 7.804 -13.751 1.00 24.50 C ATOM 922 C PRO A 63 15.998 7.461 -14.452 1.00 21.25 C ATOM 923 O PRO A 63 15.964 6.619 -15.349 1.00 41.13 O ATOM 924 CB PRO A 63 17.288 7.305 -12.304 1.00 34.40 C ATOM 925 CG PRO A 63 16.844 8.480 -11.504 1.00 52.52 C ATOM 926 CD PRO A 63 17.392 9.691 -12.208 1.00 73.14 C ATOM 0 HA PRO A 63 18.085 7.346 -14.363 1.00 24.50 H new ATOM 0 HB2 PRO A 63 16.605 6.464 -12.185 1.00 34.40 H new ATOM 0 HB3 PRO A 63 18.274 6.962 -11.990 1.00 34.40 H new ATOM 0 HG2 PRO A 63 15.757 8.523 -11.444 1.00 52.52 H new ATOM 0 HG3 PRO A 63 17.218 8.420 -10.482 1.00 52.52 H new ATOM 0 HD2 PRO A 63 16.727 10.549 -12.108 1.00 73.14 H new ATOM 0 HD3 PRO A 63 18.359 9.988 -11.802 1.00 73.14 H new ATOM 934 N VAL A 64 14.920 8.119 -14.036 1.00 23.52 N ATOM 935 CA VAL A 64 13.607 7.884 -14.625 1.00 3.42 C ATOM 936 C VAL A 64 13.660 7.990 -16.145 1.00 21.12 C ATOM 937 O VAL A 64 12.964 7.261 -16.853 1.00 40.44 O ATOM 938 CB VAL A 64 12.565 8.883 -14.088 1.00 10.23 C ATOM 939 CG1 VAL A 64 11.239 8.713 -14.813 1.00 33.54 C ATOM 940 CG2 VAL A 64 12.388 8.712 -12.587 1.00 34.33 C ATOM 0 H VAL A 64 14.930 8.819 -13.294 1.00 23.52 H new ATOM 0 HA VAL A 64 13.310 6.874 -14.344 1.00 3.42 H new ATOM 0 HB VAL A 64 12.926 9.894 -14.275 1.00 10.23 H new ATOM 0 HG11 VAL A 64 10.515 9.427 -14.420 1.00 33.54 H new ATOM 0 HG12 VAL A 64 11.382 8.890 -15.879 1.00 33.54 H new ATOM 0 HG13 VAL A 64 10.868 7.699 -14.660 1.00 33.54 H new ATOM 0 HG21 VAL A 64 11.648 9.426 -12.224 1.00 34.33 H new ATOM 0 HG22 VAL A 64 12.049 7.698 -12.374 1.00 34.33 H new ATOM 0 HG23 VAL A 64 13.340 8.889 -12.086 1.00 34.33 H new ATOM 950 N LEU A 65 14.490 8.901 -16.640 1.00 62.14 N ATOM 951 CA LEU A 65 14.635 9.102 -18.078 1.00 3.30 C ATOM 952 C LEU A 65 15.936 8.489 -18.585 1.00 65.02 C ATOM 953 O LEU A 65 16.878 8.256 -17.827 1.00 44.04 O ATOM 954 CB LEU A 65 14.598 10.595 -18.410 1.00 42.01 C ATOM 955 CG LEU A 65 13.209 11.220 -18.540 1.00 35.53 C ATOM 956 CD1 LEU A 65 12.455 10.606 -19.709 1.00 75.22 C ATOM 957 CD2 LEU A 65 12.424 11.047 -17.247 1.00 53.34 C ATOM 0 H LEU A 65 15.073 9.512 -16.068 1.00 62.14 H new ATOM 0 HA LEU A 65 13.803 8.604 -18.575 1.00 3.30 H new ATOM 0 HB2 LEU A 65 15.145 11.133 -17.635 1.00 42.01 H new ATOM 0 HB3 LEU A 65 15.134 10.752 -19.346 1.00 42.01 H new ATOM 0 HG LEU A 65 13.327 12.287 -18.731 1.00 35.53 H new ATOM 0 HD11 LEU A 65 11.468 11.063 -19.786 1.00 75.22 H new ATOM 0 HD12 LEU A 65 13.009 10.781 -20.631 1.00 75.22 H new ATOM 0 HD13 LEU A 65 12.346 9.533 -19.549 1.00 75.22 H new ATOM 0 HD21 LEU A 65 11.438 11.498 -17.357 1.00 53.34 H new ATOM 0 HD22 LEU A 65 12.315 9.985 -17.027 1.00 53.34 H new ATOM 0 HD23 LEU A 65 12.956 11.534 -16.430 1.00 53.34 H new ATOM 969 N PRO A 66 15.993 8.223 -19.899 1.00 31.54 N ATOM 970 CA PRO A 66 17.175 7.636 -20.537 1.00 73.41 C ATOM 971 C PRO A 66 18.350 8.606 -20.584 1.00 24.53 C ATOM 972 O PRO A 66 18.180 9.788 -20.878 1.00 41.13 O ATOM 973 CB PRO A 66 16.690 7.314 -21.953 1.00 50.41 C ATOM 974 CG PRO A 66 15.570 8.266 -22.195 1.00 40.52 C ATOM 975 CD PRO A 66 14.908 8.474 -20.861 1.00 54.34 C ATOM 0 HA PRO A 66 17.545 6.768 -19.991 1.00 73.41 H new ATOM 0 HB2 PRO A 66 17.487 7.447 -22.684 1.00 50.41 H new ATOM 0 HB3 PRO A 66 16.355 6.280 -22.031 1.00 50.41 H new ATOM 0 HG2 PRO A 66 15.939 9.209 -22.599 1.00 40.52 H new ATOM 0 HG3 PRO A 66 14.865 7.863 -22.922 1.00 40.52 H new ATOM 0 HD2 PRO A 66 14.510 9.484 -20.763 1.00 54.34 H new ATOM 0 HD3 PRO A 66 14.074 7.787 -20.715 1.00 54.34 H new ATOM 983 N ALA A 67 19.543 8.097 -20.292 1.00 10.15 N ATOM 984 CA ALA A 67 20.747 8.918 -20.303 1.00 1.32 C ATOM 985 C ALA A 67 20.890 9.665 -21.625 1.00 23.42 C ATOM 986 O ALA A 67 20.813 9.066 -22.698 1.00 14.42 O ATOM 987 CB ALA A 67 21.975 8.058 -20.044 1.00 62.04 C ATOM 0 H ALA A 67 19.701 7.120 -20.045 1.00 10.15 H new ATOM 0 HA ALA A 67 20.661 9.657 -19.506 1.00 1.32 H new ATOM 0 HB1 ALA A 67 22.867 8.685 -20.055 1.00 62.04 H new ATOM 0 HB2 ALA A 67 21.883 7.575 -19.071 1.00 62.04 H new ATOM 0 HB3 ALA A 67 22.057 7.297 -20.820 1.00 62.04 H new ATOM 993 N SER A 68 21.099 10.975 -21.540 1.00 61.40 N ATOM 994 CA SER A 68 21.249 11.803 -22.730 1.00 54.54 C ATOM 995 C SER A 68 21.442 13.269 -22.351 1.00 71.44 C ATOM 996 O SER A 68 22.165 14.006 -23.022 1.00 53.23 O ATOM 997 CB SER A 68 20.025 11.657 -23.637 1.00 31.41 C ATOM 998 OG SER A 68 20.410 11.460 -24.986 1.00 45.23 O ATOM 0 H SER A 68 21.168 11.485 -20.660 1.00 61.40 H new ATOM 0 HA SER A 68 22.134 11.464 -23.268 1.00 54.54 H new ATOM 0 HB2 SER A 68 19.419 10.815 -23.302 1.00 31.41 H new ATOM 0 HB3 SER A 68 19.403 12.549 -23.560 1.00 31.41 H new ATOM 0 HG SER A 68 19.610 11.368 -25.544 1.00 45.23 H new ATOM 1004 N THR A 69 20.790 13.685 -21.270 1.00 72.31 N ATOM 1005 CA THR A 69 20.888 15.061 -20.801 1.00 52.10 C ATOM 1006 C THR A 69 21.599 15.134 -19.455 1.00 31.24 C ATOM 1007 O THR A 69 21.366 16.051 -18.667 1.00 13.12 O ATOM 1008 CB THR A 69 19.497 15.710 -20.670 1.00 0.21 C ATOM 1009 OG1 THR A 69 19.632 17.086 -20.296 1.00 33.21 O ATOM 1010 CG2 THR A 69 18.654 14.979 -19.637 1.00 34.34 C ATOM 0 H THR A 69 20.188 13.088 -20.703 1.00 72.31 H new ATOM 0 HA THR A 69 21.468 15.608 -21.545 1.00 52.10 H new ATOM 0 HB THR A 69 18.997 15.644 -21.636 1.00 0.21 H new ATOM 0 HG1 THR A 69 20.301 17.167 -19.584 1.00 33.21 H new ATOM 0 HG21 THR A 69 17.676 15.455 -19.562 1.00 34.34 H new ATOM 0 HG22 THR A 69 18.529 13.939 -19.939 1.00 34.34 H new ATOM 0 HG23 THR A 69 19.152 15.018 -18.668 1.00 34.34 H new ATOM 1018 N HIS A 70 22.468 14.162 -19.196 1.00 61.24 N ATOM 1019 CA HIS A 70 23.215 14.117 -17.944 1.00 70.13 C ATOM 1020 C HIS A 70 24.010 15.403 -17.739 1.00 70.15 C ATOM 1021 O HIS A 70 23.808 16.120 -16.759 1.00 74.42 O ATOM 1022 CB HIS A 70 24.158 12.913 -17.931 1.00 54.22 C ATOM 1023 CG HIS A 70 23.522 11.660 -17.412 1.00 51.15 C ATOM 1024 ND1 HIS A 70 24.080 10.891 -16.413 1.00 12.30 N ATOM 1025 CD2 HIS A 70 22.368 11.044 -17.759 1.00 71.25 C ATOM 1026 CE1 HIS A 70 23.297 9.855 -16.169 1.00 3.32 C ATOM 1027 NE2 HIS A 70 22.251 9.925 -16.972 1.00 63.33 N ATOM 0 H HIS A 70 22.672 13.395 -19.837 1.00 61.24 H new ATOM 0 HA HIS A 70 22.501 14.018 -17.127 1.00 70.13 H new ATOM 0 HB2 HIS A 70 24.520 12.734 -18.943 1.00 54.22 H new ATOM 0 HB3 HIS A 70 25.028 13.150 -17.318 1.00 54.22 H new ATOM 0 HD2 HIS A 70 21.669 11.372 -18.514 1.00 71.25 H new ATOM 0 HE1 HIS A 70 23.481 9.082 -15.437 1.00 3.32 H new ATOM 0 HE2 HIS A 70 21.481 9.256 -17.003 1.00 63.33 H new ATOM 1035 N ARG A 71 24.915 15.688 -18.670 1.00 52.02 N ATOM 1036 CA ARG A 71 25.741 16.886 -18.590 1.00 44.33 C ATOM 1037 C ARG A 71 24.881 18.127 -18.369 1.00 32.32 C ATOM 1038 O ARG A 71 25.131 18.911 -17.454 1.00 55.23 O ATOM 1039 CB ARG A 71 26.568 17.047 -19.867 1.00 40.55 C ATOM 1040 CG ARG A 71 27.651 18.108 -19.762 1.00 4.31 C ATOM 1041 CD ARG A 71 28.283 18.396 -21.115 1.00 21.01 C ATOM 1042 NE ARG A 71 29.727 18.593 -21.014 1.00 54.22 N ATOM 1043 CZ ARG A 71 30.286 19.719 -20.587 1.00 5.50 C ATOM 1044 NH1 ARG A 71 29.528 20.744 -20.222 1.00 71.13 N ATOM 1045 NH2 ARG A 71 31.608 19.822 -20.523 1.00 51.54 N ATOM 0 H ARG A 71 25.094 15.106 -19.488 1.00 52.02 H new ATOM 0 HA ARG A 71 26.414 16.776 -17.740 1.00 44.33 H new ATOM 0 HB2 ARG A 71 27.030 16.091 -20.113 1.00 40.55 H new ATOM 0 HB3 ARG A 71 25.902 17.300 -20.692 1.00 40.55 H new ATOM 0 HG2 ARG A 71 27.225 19.025 -19.356 1.00 4.31 H new ATOM 0 HG3 ARG A 71 28.419 17.777 -19.063 1.00 4.31 H new ATOM 0 HD2 ARG A 71 28.077 17.569 -21.795 1.00 21.01 H new ATOM 0 HD3 ARG A 71 27.825 19.286 -21.547 1.00 21.01 H new ATOM 0 HE ARG A 71 30.339 17.824 -21.286 1.00 54.22 H new ATOM 0 HH11 ARG A 71 28.512 20.669 -20.269 1.00 71.13 H new ATOM 0 HH12 ARG A 71 29.961 21.607 -19.894 1.00 71.13 H new ATOM 0 HH21 ARG A 71 32.195 19.036 -20.802 1.00 51.54 H new ATOM 0 HH22 ARG A 71 32.037 20.687 -20.195 1.00 51.54 H new ATOM 1059 N GLU A 72 23.868 18.296 -19.213 1.00 13.34 N ATOM 1060 CA GLU A 72 22.972 19.442 -19.109 1.00 13.01 C ATOM 1061 C GLU A 72 22.422 19.576 -17.692 1.00 1.53 C ATOM 1062 O GLU A 72 22.676 20.568 -17.008 1.00 2.52 O ATOM 1063 CB GLU A 72 21.818 19.307 -20.105 1.00 34.15 C ATOM 1064 CG GLU A 72 22.077 19.994 -21.434 1.00 43.44 C ATOM 1065 CD GLU A 72 20.834 20.084 -22.297 1.00 53.43 C ATOM 1066 OE1 GLU A 72 19.794 20.559 -21.793 1.00 63.44 O ATOM 1067 OE2 GLU A 72 20.901 19.681 -23.477 1.00 74.52 O ATOM 0 H GLU A 72 23.647 17.655 -19.975 1.00 13.34 H new ATOM 0 HA GLU A 72 23.543 20.340 -19.345 1.00 13.01 H new ATOM 0 HB2 GLU A 72 21.626 18.249 -20.284 1.00 34.15 H new ATOM 0 HB3 GLU A 72 20.915 19.724 -19.660 1.00 34.15 H new ATOM 0 HG2 GLU A 72 22.461 20.998 -21.251 1.00 43.44 H new ATOM 0 HG3 GLU A 72 22.851 19.450 -21.975 1.00 43.44 H new ATOM 1074 N ILE A 73 21.668 18.572 -17.258 1.00 52.23 N ATOM 1075 CA ILE A 73 21.083 18.578 -15.923 1.00 72.33 C ATOM 1076 C ILE A 73 22.149 18.803 -14.857 1.00 1.32 C ATOM 1077 O ILE A 73 21.902 19.464 -13.849 1.00 10.13 O ATOM 1078 CB ILE A 73 20.346 17.258 -15.626 1.00 4.12 C ATOM 1079 CG1 ILE A 73 19.206 17.049 -16.624 1.00 52.10 C ATOM 1080 CG2 ILE A 73 19.816 17.257 -14.200 1.00 4.12 C ATOM 1081 CD1 ILE A 73 18.112 18.088 -16.518 1.00 13.23 C ATOM 0 H ILE A 73 21.448 17.744 -17.811 1.00 52.23 H new ATOM 0 HA ILE A 73 20.367 19.399 -15.896 1.00 72.33 H new ATOM 0 HB ILE A 73 21.051 16.434 -15.732 1.00 4.12 H new ATOM 0 HG12 ILE A 73 19.612 17.063 -17.635 1.00 52.10 H new ATOM 0 HG13 ILE A 73 18.774 16.061 -16.468 1.00 52.10 H new ATOM 0 HG21 ILE A 73 19.298 16.318 -14.005 1.00 4.12 H new ATOM 0 HG22 ILE A 73 20.647 17.364 -13.503 1.00 4.12 H new ATOM 0 HG23 ILE A 73 19.123 18.088 -14.069 1.00 4.12 H new ATOM 0 HD11 ILE A 73 17.337 17.877 -17.255 1.00 13.23 H new ATOM 0 HD12 ILE A 73 17.679 18.060 -15.518 1.00 13.23 H new ATOM 0 HD13 ILE A 73 18.530 19.077 -16.704 1.00 13.23 H new ATOM 1093 N GLU A 74 23.336 18.251 -15.088 1.00 71.30 N ATOM 1094 CA GLU A 74 24.441 18.393 -14.147 1.00 15.02 C ATOM 1095 C GLU A 74 24.765 19.865 -13.907 1.00 33.21 C ATOM 1096 O GLU A 74 24.799 20.326 -12.766 1.00 72.43 O ATOM 1097 CB GLU A 74 25.681 17.665 -14.668 1.00 60.40 C ATOM 1098 CG GLU A 74 25.987 16.375 -13.924 1.00 42.45 C ATOM 1099 CD GLU A 74 27.419 15.916 -14.119 1.00 22.13 C ATOM 1100 OE1 GLU A 74 28.336 16.602 -13.621 1.00 12.03 O ATOM 1101 OE2 GLU A 74 27.623 14.869 -14.769 1.00 14.20 O ATOM 0 H GLU A 74 23.557 17.701 -15.918 1.00 71.30 H new ATOM 0 HA GLU A 74 24.138 17.946 -13.200 1.00 15.02 H new ATOM 0 HB2 GLU A 74 25.543 17.441 -15.726 1.00 60.40 H new ATOM 0 HB3 GLU A 74 26.541 18.331 -14.593 1.00 60.40 H new ATOM 0 HG2 GLU A 74 25.797 16.519 -12.860 1.00 42.45 H new ATOM 0 HG3 GLU A 74 25.309 15.593 -14.266 1.00 42.45 H new ATOM 1108 N MET A 75 25.003 20.596 -14.991 1.00 14.45 N ATOM 1109 CA MET A 75 25.324 22.016 -14.898 1.00 74.03 C ATOM 1110 C MET A 75 24.096 22.826 -14.494 1.00 31.23 C ATOM 1111 O MET A 75 24.215 23.890 -13.888 1.00 1.14 O ATOM 1112 CB MET A 75 25.867 22.526 -16.234 1.00 65.44 C ATOM 1113 CG MET A 75 24.860 22.447 -17.370 1.00 42.41 C ATOM 1114 SD MET A 75 25.362 23.408 -18.811 1.00 10.41 S ATOM 1115 CE MET A 75 23.767 23.897 -19.464 1.00 4.21 C ATOM 0 H MET A 75 24.980 20.230 -15.943 1.00 14.45 H new ATOM 0 HA MET A 75 26.088 22.140 -14.131 1.00 74.03 H new ATOM 0 HB2 MET A 75 26.188 23.561 -16.115 1.00 65.44 H new ATOM 0 HB3 MET A 75 26.751 21.947 -16.502 1.00 65.44 H new ATOM 0 HG2 MET A 75 24.728 21.405 -17.661 1.00 42.41 H new ATOM 0 HG3 MET A 75 23.892 22.805 -17.018 1.00 42.41 H new ATOM 0 HE1 MET A 75 23.910 24.500 -20.361 1.00 4.21 H new ATOM 0 HE2 MET A 75 23.188 23.008 -19.713 1.00 4.21 H new ATOM 0 HE3 MET A 75 23.231 24.481 -18.716 1.00 4.21 H new ATOM 1125 N ALA A 76 22.917 22.315 -14.833 1.00 61.43 N ATOM 1126 CA ALA A 76 21.668 22.990 -14.504 1.00 20.24 C ATOM 1127 C ALA A 76 21.454 23.043 -12.995 1.00 4.03 C ATOM 1128 O ALA A 76 21.054 24.072 -12.452 1.00 55.21 O ATOM 1129 CB ALA A 76 20.497 22.293 -15.180 1.00 72.11 C ATOM 0 H ALA A 76 22.801 21.435 -15.336 1.00 61.43 H new ATOM 0 HA ALA A 76 21.729 24.014 -14.873 1.00 20.24 H new ATOM 0 HB1 ALA A 76 19.571 22.808 -14.925 1.00 72.11 H new ATOM 0 HB2 ALA A 76 20.637 22.312 -16.261 1.00 72.11 H new ATOM 0 HB3 ALA A 76 20.443 21.259 -14.839 1.00 72.11 H new ATOM 1135 N GLN A 77 21.724 21.928 -12.324 1.00 21.22 N ATOM 1136 CA GLN A 77 21.560 21.848 -10.877 1.00 55.52 C ATOM 1137 C GLN A 77 22.298 22.988 -10.182 1.00 74.20 C ATOM 1138 O GLN A 77 21.685 23.829 -9.524 1.00 31.43 O ATOM 1139 CB GLN A 77 22.069 20.503 -10.358 1.00 21.12 C ATOM 1140 CG GLN A 77 21.101 19.354 -10.592 1.00 11.55 C ATOM 1141 CD GLN A 77 21.746 17.997 -10.390 1.00 12.41 C ATOM 1142 OE1 GLN A 77 22.806 17.886 -9.774 1.00 2.41 O ATOM 1143 NE2 GLN A 77 21.107 16.955 -10.909 1.00 43.22 N ATOM 0 H GLN A 77 22.057 21.068 -12.759 1.00 21.22 H new ATOM 0 HA GLN A 77 20.497 21.937 -10.652 1.00 55.52 H new ATOM 0 HB2 GLN A 77 23.018 20.272 -10.842 1.00 21.12 H new ATOM 0 HB3 GLN A 77 22.268 20.587 -9.290 1.00 21.12 H new ATOM 0 HG2 GLN A 77 20.254 19.454 -9.914 1.00 11.55 H new ATOM 0 HG3 GLN A 77 20.706 19.417 -11.606 1.00 11.55 H new ATOM 0 HE21 GLN A 77 20.231 17.093 -11.412 1.00 43.22 H new ATOM 0 HE22 GLN A 77 21.493 16.017 -10.804 1.00 43.22 H new ATOM 1152 N LYS A 78 23.618 23.010 -10.332 1.00 74.51 N ATOM 1153 CA LYS A 78 24.441 24.046 -9.720 1.00 32.30 C ATOM 1154 C LYS A 78 23.912 25.435 -10.064 1.00 64.54 C ATOM 1155 O LYS A 78 23.826 26.309 -9.201 1.00 71.20 O ATOM 1156 CB LYS A 78 25.893 23.912 -10.183 1.00 23.21 C ATOM 1157 CG LYS A 78 26.903 24.432 -9.175 1.00 24.54 C ATOM 1158 CD LYS A 78 28.113 25.042 -9.862 1.00 3.35 C ATOM 1159 CE LYS A 78 27.872 26.500 -10.223 1.00 62.22 C ATOM 1160 NZ LYS A 78 28.976 27.055 -11.055 1.00 73.31 N ATOM 0 H LYS A 78 24.141 22.321 -10.873 1.00 74.51 H new ATOM 0 HA LYS A 78 24.398 23.918 -8.638 1.00 32.30 H new ATOM 0 HB2 LYS A 78 26.105 22.863 -10.389 1.00 23.21 H new ATOM 0 HB3 LYS A 78 26.018 24.452 -11.121 1.00 23.21 H new ATOM 0 HG2 LYS A 78 26.430 25.179 -8.537 1.00 24.54 H new ATOM 0 HG3 LYS A 78 27.224 23.617 -8.527 1.00 24.54 H new ATOM 0 HD2 LYS A 78 28.981 24.967 -9.207 1.00 3.35 H new ATOM 0 HD3 LYS A 78 28.344 24.476 -10.764 1.00 3.35 H new ATOM 0 HE2 LYS A 78 26.930 26.589 -10.763 1.00 62.22 H new ATOM 0 HE3 LYS A 78 27.773 27.089 -9.311 1.00 62.22 H new ATOM 0 HZ1 LYS A 78 28.775 28.050 -11.280 1.00 73.31 H new ATOM 0 HZ2 LYS A 78 29.871 26.993 -10.530 1.00 73.31 H new ATOM 0 HZ3 LYS A 78 29.054 26.510 -11.937 1.00 73.31 H new ATOM 1174 N LEU A 79 23.559 25.631 -11.330 1.00 21.12 N ATOM 1175 CA LEU A 79 23.037 26.914 -11.788 1.00 61.22 C ATOM 1176 C LEU A 79 21.834 27.341 -10.954 1.00 52.51 C ATOM 1177 O LEU A 79 21.753 28.485 -10.502 1.00 74.45 O ATOM 1178 CB LEU A 79 22.645 26.829 -13.264 1.00 73.03 C ATOM 1179 CG LEU A 79 22.470 28.163 -13.990 1.00 12.50 C ATOM 1180 CD1 LEU A 79 23.817 28.707 -14.441 1.00 31.52 C ATOM 1181 CD2 LEU A 79 21.532 28.006 -15.178 1.00 32.42 C ATOM 0 H LEU A 79 23.625 24.918 -12.057 1.00 21.12 H new ATOM 0 HA LEU A 79 23.821 27.661 -11.669 1.00 61.22 H new ATOM 0 HB2 LEU A 79 23.405 26.250 -13.788 1.00 73.03 H new ATOM 0 HB3 LEU A 79 21.711 26.272 -13.340 1.00 73.03 H new ATOM 0 HG LEU A 79 22.027 28.876 -13.295 1.00 12.50 H new ATOM 0 HD11 LEU A 79 23.672 29.657 -14.956 1.00 31.52 H new ATOM 0 HD12 LEU A 79 24.457 28.859 -13.572 1.00 31.52 H new ATOM 0 HD13 LEU A 79 24.288 27.995 -15.119 1.00 31.52 H new ATOM 0 HD21 LEU A 79 21.420 28.966 -15.682 1.00 32.42 H new ATOM 0 HD22 LEU A 79 21.946 27.277 -15.874 1.00 32.42 H new ATOM 0 HD23 LEU A 79 20.558 27.663 -14.830 1.00 32.42 H new ATOM 1193 N LEU A 80 20.902 26.416 -10.751 1.00 43.45 N ATOM 1194 CA LEU A 80 19.703 26.696 -9.969 1.00 43.50 C ATOM 1195 C LEU A 80 20.065 27.303 -8.617 1.00 12.00 C ATOM 1196 O LEU A 80 19.472 28.294 -8.192 1.00 21.53 O ATOM 1197 CB LEU A 80 18.892 25.415 -9.766 1.00 3.53 C ATOM 1198 CG LEU A 80 17.543 25.355 -10.482 1.00 34.22 C ATOM 1199 CD1 LEU A 80 17.715 24.840 -11.902 1.00 73.23 C ATOM 1200 CD2 LEU A 80 16.568 24.478 -9.709 1.00 51.10 C ATOM 0 H LEU A 80 20.954 25.465 -11.117 1.00 43.45 H new ATOM 0 HA LEU A 80 19.099 27.417 -10.520 1.00 43.50 H new ATOM 0 HB2 LEU A 80 19.495 24.570 -10.099 1.00 3.53 H new ATOM 0 HB3 LEU A 80 18.720 25.283 -8.698 1.00 3.53 H new ATOM 0 HG LEU A 80 17.134 26.364 -10.531 1.00 34.22 H new ATOM 0 HD11 LEU A 80 16.744 24.804 -12.396 1.00 73.23 H new ATOM 0 HD12 LEU A 80 18.378 25.507 -12.453 1.00 73.23 H new ATOM 0 HD13 LEU A 80 18.146 23.839 -11.876 1.00 73.23 H new ATOM 0 HD21 LEU A 80 15.613 24.447 -10.233 1.00 51.10 H new ATOM 0 HD22 LEU A 80 16.971 23.469 -9.629 1.00 51.10 H new ATOM 0 HD23 LEU A 80 16.421 24.890 -8.711 1.00 51.10 H new ATOM 1212 N ASN A 81 21.043 26.702 -7.947 1.00 41.32 N ATOM 1213 CA ASN A 81 21.485 27.184 -6.644 1.00 1.43 C ATOM 1214 C ASN A 81 21.807 28.675 -6.696 1.00 20.24 C ATOM 1215 O ASN A 81 21.184 29.479 -6.003 1.00 3.34 O ATOM 1216 CB ASN A 81 22.714 26.402 -6.177 1.00 62.32 C ATOM 1217 CG ASN A 81 22.430 24.921 -6.018 1.00 21.44 C ATOM 1218 OD1 ASN A 81 22.933 24.095 -6.780 1.00 21.02 O ATOM 1219 ND2 ASN A 81 21.620 24.578 -5.023 1.00 32.41 N ATOM 0 H ASN A 81 21.544 25.881 -8.285 1.00 41.32 H new ATOM 0 HA ASN A 81 20.673 27.030 -5.933 1.00 1.43 H new ATOM 0 HB2 ASN A 81 23.523 26.539 -6.895 1.00 62.32 H new ATOM 0 HB3 ASN A 81 23.059 26.807 -5.226 1.00 62.32 H new ATOM 0 HD21 ASN A 81 21.392 23.596 -4.866 1.00 32.41 H new ATOM 0 HD22 ASN A 81 21.226 25.296 -4.416 1.00 32.41 H new ATOM 1226 N SER A 82 22.783 29.035 -7.522 1.00 44.42 N ATOM 1227 CA SER A 82 23.191 30.429 -7.663 1.00 33.53 C ATOM 1228 C SER A 82 21.989 31.317 -7.969 1.00 42.44 C ATOM 1229 O SER A 82 21.831 32.389 -7.385 1.00 11.32 O ATOM 1230 CB SER A 82 24.238 30.567 -8.770 1.00 35.23 C ATOM 1231 OG SER A 82 25.101 31.662 -8.521 1.00 3.31 O ATOM 0 H SER A 82 23.307 28.381 -8.104 1.00 44.42 H new ATOM 0 HA SER A 82 23.628 30.752 -6.718 1.00 33.53 H new ATOM 0 HB2 SER A 82 24.821 29.649 -8.840 1.00 35.23 H new ATOM 0 HB3 SER A 82 23.741 30.703 -9.730 1.00 35.23 H new ATOM 0 HG SER A 82 25.762 31.728 -9.241 1.00 3.31 H new ATOM 1237 N ASP A 83 21.146 30.864 -8.890 1.00 52.11 N ATOM 1238 CA ASP A 83 19.957 31.616 -9.275 1.00 44.50 C ATOM 1239 C ASP A 83 19.131 31.991 -8.049 1.00 13.31 C ATOM 1240 O ASP A 83 18.589 33.094 -7.966 1.00 15.21 O ATOM 1241 CB ASP A 83 19.106 30.802 -10.250 1.00 52.12 C ATOM 1242 CG ASP A 83 19.883 30.373 -11.479 1.00 25.43 C ATOM 1243 OD1 ASP A 83 20.695 31.179 -11.979 1.00 43.14 O ATOM 1244 OD2 ASP A 83 19.681 29.230 -11.939 1.00 20.32 O ATOM 0 H ASP A 83 21.264 29.980 -9.384 1.00 52.11 H new ATOM 0 HA ASP A 83 20.281 32.533 -9.767 1.00 44.50 H new ATOM 0 HB2 ASP A 83 18.721 29.919 -9.741 1.00 52.12 H new ATOM 0 HB3 ASP A 83 18.244 31.394 -10.557 1.00 52.12 H new ATOM 1249 N LEU A 84 19.037 31.067 -7.100 1.00 24.34 N ATOM 1250 CA LEU A 84 18.276 31.299 -5.877 1.00 54.24 C ATOM 1251 C LEU A 84 18.843 32.482 -5.099 1.00 53.10 C ATOM 1252 O LEU A 84 18.140 33.456 -4.832 1.00 12.14 O ATOM 1253 CB LEU A 84 18.285 30.046 -5.001 1.00 20.41 C ATOM 1254 CG LEU A 84 17.399 30.091 -3.755 1.00 60.35 C ATOM 1255 CD1 LEU A 84 15.952 30.360 -4.139 1.00 43.31 C ATOM 1256 CD2 LEU A 84 17.512 28.790 -2.973 1.00 51.33 C ATOM 0 H LEU A 84 19.479 30.149 -7.154 1.00 24.34 H new ATOM 0 HA LEU A 84 17.248 31.531 -6.157 1.00 54.24 H new ATOM 0 HB2 LEU A 84 17.976 29.198 -5.612 1.00 20.41 H new ATOM 0 HB3 LEU A 84 19.311 29.855 -4.686 1.00 20.41 H new ATOM 0 HG LEU A 84 17.742 30.906 -3.118 1.00 60.35 H new ATOM 0 HD11 LEU A 84 15.336 30.389 -3.240 1.00 43.31 H new ATOM 0 HD12 LEU A 84 15.885 31.317 -4.656 1.00 43.31 H new ATOM 0 HD13 LEU A 84 15.597 29.567 -4.797 1.00 43.31 H new ATOM 0 HD21 LEU A 84 16.875 28.840 -2.090 1.00 51.33 H new ATOM 0 HD22 LEU A 84 17.195 27.958 -3.602 1.00 51.33 H new ATOM 0 HD23 LEU A 84 18.547 28.639 -2.666 1.00 51.33 H new ATOM 1268 N ALA A 85 20.119 32.390 -4.740 1.00 41.42 N ATOM 1269 CA ALA A 85 20.782 33.455 -3.997 1.00 32.54 C ATOM 1270 C ALA A 85 20.582 34.805 -4.676 1.00 4.34 C ATOM 1271 O ALA A 85 20.442 35.830 -4.009 1.00 62.01 O ATOM 1272 CB ALA A 85 22.265 33.150 -3.848 1.00 61.03 C ATOM 0 H ALA A 85 20.714 31.589 -4.951 1.00 41.42 H new ATOM 0 HA ALA A 85 20.332 33.507 -3.006 1.00 32.54 H new ATOM 0 HB1 ALA A 85 22.748 33.953 -3.291 1.00 61.03 H new ATOM 0 HB2 ALA A 85 22.391 32.210 -3.311 1.00 61.03 H new ATOM 0 HB3 ALA A 85 22.721 33.068 -4.835 1.00 61.03 H new ATOM 1278 N GLU A 86 20.572 34.798 -6.005 1.00 13.40 N ATOM 1279 CA GLU A 86 20.391 36.025 -6.773 1.00 60.41 C ATOM 1280 C GLU A 86 19.011 36.625 -6.523 1.00 34.11 C ATOM 1281 O GLU A 86 18.880 37.821 -6.259 1.00 54.04 O ATOM 1282 CB GLU A 86 20.576 35.749 -8.267 1.00 23.02 C ATOM 1283 CG GLU A 86 21.920 36.207 -8.808 1.00 62.11 C ATOM 1284 CD GLU A 86 22.003 37.713 -8.965 1.00 64.22 C ATOM 1285 OE1 GLU A 86 21.330 38.253 -9.868 1.00 32.51 O ATOM 1286 OE2 GLU A 86 22.742 38.351 -8.186 1.00 54.25 O ATOM 0 H GLU A 86 20.687 33.958 -6.572 1.00 13.40 H new ATOM 0 HA GLU A 86 21.144 36.742 -6.447 1.00 60.41 H new ATOM 0 HB2 GLU A 86 20.467 34.679 -8.447 1.00 23.02 H new ATOM 0 HB3 GLU A 86 19.781 36.248 -8.821 1.00 23.02 H new ATOM 0 HG2 GLU A 86 22.711 35.871 -8.137 1.00 62.11 H new ATOM 0 HG3 GLU A 86 22.099 35.734 -9.774 1.00 62.11 H new ATOM 1293 N LEU A 87 17.983 35.787 -6.608 1.00 25.22 N ATOM 1294 CA LEU A 87 16.612 36.233 -6.391 1.00 54.43 C ATOM 1295 C LEU A 87 16.409 36.690 -4.950 1.00 74.40 C ATOM 1296 O LEU A 87 15.948 37.804 -4.701 1.00 32.14 O ATOM 1297 CB LEU A 87 15.630 35.109 -6.726 1.00 13.15 C ATOM 1298 CG LEU A 87 15.769 34.488 -8.116 1.00 32.33 C ATOM 1299 CD1 LEU A 87 15.284 33.046 -8.107 1.00 10.20 C ATOM 1300 CD2 LEU A 87 15.000 35.305 -9.144 1.00 65.53 C ATOM 0 H LEU A 87 18.074 34.795 -6.826 1.00 25.22 H new ATOM 0 HA LEU A 87 16.423 37.080 -7.050 1.00 54.43 H new ATOM 0 HB2 LEU A 87 15.746 34.319 -5.984 1.00 13.15 H new ATOM 0 HB3 LEU A 87 14.616 35.497 -6.623 1.00 13.15 H new ATOM 0 HG LEU A 87 16.823 34.493 -8.392 1.00 32.33 H new ATOM 0 HD11 LEU A 87 15.390 32.620 -9.105 1.00 10.20 H new ATOM 0 HD12 LEU A 87 15.878 32.467 -7.400 1.00 10.20 H new ATOM 0 HD13 LEU A 87 14.236 33.017 -7.810 1.00 10.20 H new ATOM 0 HD21 LEU A 87 15.110 34.849 -10.128 1.00 65.53 H new ATOM 0 HD22 LEU A 87 13.945 35.331 -8.872 1.00 65.53 H new ATOM 0 HD23 LEU A 87 15.394 36.321 -9.170 1.00 65.53 H new ATOM 1312 N ILE A 88 16.757 35.822 -4.006 1.00 2.33 N ATOM 1313 CA ILE A 88 16.616 36.138 -2.590 1.00 21.13 C ATOM 1314 C ILE A 88 17.288 37.465 -2.253 1.00 32.24 C ATOM 1315 O ILE A 88 16.831 38.199 -1.378 1.00 34.34 O ATOM 1316 CB ILE A 88 17.218 35.031 -1.704 1.00 12.24 C ATOM 1317 CG1 ILE A 88 16.562 33.685 -2.016 1.00 30.40 C ATOM 1318 CG2 ILE A 88 17.049 35.380 -0.232 1.00 51.24 C ATOM 1319 CD1 ILE A 88 15.088 33.638 -1.680 1.00 53.24 C ATOM 0 H ILE A 88 17.138 34.895 -4.196 1.00 2.33 H new ATOM 0 HA ILE A 88 15.547 36.213 -2.388 1.00 21.13 H new ATOM 0 HB ILE A 88 18.284 34.953 -1.919 1.00 12.24 H new ATOM 0 HG12 ILE A 88 16.692 33.464 -3.075 1.00 30.40 H new ATOM 0 HG13 ILE A 88 17.078 32.901 -1.461 1.00 30.40 H new ATOM 0 HG21 ILE A 88 17.479 34.588 0.381 1.00 51.24 H new ATOM 0 HG22 ILE A 88 17.558 36.320 -0.020 1.00 51.24 H new ATOM 0 HG23 ILE A 88 15.988 35.482 -0.002 1.00 51.24 H new ATOM 0 HD11 ILE A 88 14.690 32.654 -1.927 1.00 53.24 H new ATOM 0 HD12 ILE A 88 14.951 33.828 -0.615 1.00 53.24 H new ATOM 0 HD13 ILE A 88 14.559 34.399 -2.255 1.00 53.24 H new ATOM 1331 N ASN A 89 18.375 37.767 -2.955 1.00 20.41 N ATOM 1332 CA ASN A 89 19.110 39.006 -2.731 1.00 53.52 C ATOM 1333 C ASN A 89 18.239 40.219 -3.048 1.00 5.14 C ATOM 1334 O ASN A 89 18.061 41.105 -2.211 1.00 61.31 O ATOM 1335 CB ASN A 89 20.376 39.035 -3.590 1.00 11.44 C ATOM 1336 CG ASN A 89 21.124 40.349 -3.472 1.00 41.32 C ATOM 1337 OD1 ASN A 89 21.366 40.842 -2.370 1.00 44.03 O ATOM 1338 ND2 ASN A 89 21.494 40.923 -4.611 1.00 54.42 N ATOM 0 H ASN A 89 18.766 37.170 -3.684 1.00 20.41 H new ATOM 0 HA ASN A 89 19.392 39.047 -1.679 1.00 53.52 H new ATOM 0 HB2 ASN A 89 21.033 38.218 -3.292 1.00 11.44 H new ATOM 0 HB3 ASN A 89 20.108 38.865 -4.633 1.00 11.44 H new ATOM 0 HD21 ASN A 89 22.000 41.808 -4.595 1.00 54.42 H new ATOM 0 HD22 ASN A 89 21.272 40.478 -5.502 1.00 54.42 H new ATOM 1345 N LYS A 90 17.699 40.252 -4.261 1.00 1.11 N ATOM 1346 CA LYS A 90 16.846 41.354 -4.689 1.00 75.12 C ATOM 1347 C LYS A 90 15.733 41.605 -3.677 1.00 14.33 C ATOM 1348 O LYS A 90 15.344 42.748 -3.439 1.00 2.53 O ATOM 1349 CB LYS A 90 16.242 41.054 -6.063 1.00 15.20 C ATOM 1350 CG LYS A 90 17.279 40.769 -7.135 1.00 5.53 C ATOM 1351 CD LYS A 90 17.780 42.051 -7.781 1.00 20.45 C ATOM 1352 CE LYS A 90 19.185 41.882 -8.338 1.00 71.55 C ATOM 1353 NZ LYS A 90 19.996 43.121 -8.183 1.00 61.43 N ATOM 0 H LYS A 90 17.837 39.528 -4.966 1.00 1.11 H new ATOM 0 HA LYS A 90 17.461 42.252 -4.757 1.00 75.12 H new ATOM 0 HB2 LYS A 90 15.575 40.196 -5.978 1.00 15.20 H new ATOM 0 HB3 LYS A 90 15.633 41.902 -6.375 1.00 15.20 H new ATOM 0 HG2 LYS A 90 18.118 40.229 -6.696 1.00 5.53 H new ATOM 0 HG3 LYS A 90 16.847 40.121 -7.897 1.00 5.53 H new ATOM 0 HD2 LYS A 90 17.102 42.345 -8.583 1.00 20.45 H new ATOM 0 HD3 LYS A 90 17.773 42.857 -7.047 1.00 20.45 H new ATOM 0 HE2 LYS A 90 19.681 41.057 -7.827 1.00 71.55 H new ATOM 0 HE3 LYS A 90 19.128 41.615 -9.393 1.00 71.55 H new ATOM 0 HZ1 LYS A 90 20.947 42.965 -8.575 1.00 61.43 H new ATOM 0 HZ2 LYS A 90 19.536 43.903 -8.692 1.00 61.43 H new ATOM 0 HZ3 LYS A 90 20.073 43.362 -7.174 1.00 61.43 H new ATOM 1367 N MET A 91 15.225 40.530 -3.083 1.00 41.10 N ATOM 1368 CA MET A 91 14.159 40.636 -2.094 1.00 34.40 C ATOM 1369 C MET A 91 14.618 41.442 -0.883 1.00 71.41 C ATOM 1370 O MET A 91 13.946 42.382 -0.459 1.00 52.00 O ATOM 1371 CB MET A 91 13.704 39.243 -1.652 1.00 3.21 C ATOM 1372 CG MET A 91 12.831 39.255 -0.408 1.00 0.42 C ATOM 1373 SD MET A 91 11.351 40.265 -0.608 1.00 52.21 S ATOM 1374 CE MET A 91 10.416 39.788 0.844 1.00 44.14 C ATOM 0 H MET A 91 15.534 39.576 -3.269 1.00 41.10 H new ATOM 0 HA MET A 91 13.319 41.155 -2.556 1.00 34.40 H new ATOM 0 HB2 MET A 91 13.154 38.774 -2.468 1.00 3.21 H new ATOM 0 HB3 MET A 91 14.582 38.626 -1.464 1.00 3.21 H new ATOM 0 HG2 MET A 91 12.539 38.234 -0.164 1.00 0.42 H new ATOM 0 HG3 MET A 91 13.411 39.631 0.435 1.00 0.42 H new ATOM 0 HE1 MET A 91 9.645 40.533 1.041 1.00 44.14 H new ATOM 0 HE2 MET A 91 9.949 38.818 0.673 1.00 44.14 H new ATOM 0 HE3 MET A 91 11.085 39.723 1.702 1.00 44.14 H new ATOM 1384 N LYS A 92 15.767 41.067 -0.330 1.00 54.50 N ATOM 1385 CA LYS A 92 16.317 41.756 0.832 1.00 71.43 C ATOM 1386 C LYS A 92 16.534 43.236 0.535 1.00 55.10 C ATOM 1387 O LYS A 92 16.332 44.089 1.400 1.00 1.14 O ATOM 1388 CB LYS A 92 17.639 41.110 1.253 1.00 10.34 C ATOM 1389 CG LYS A 92 17.469 39.759 1.927 1.00 50.45 C ATOM 1390 CD LYS A 92 16.842 39.898 3.304 1.00 62.42 C ATOM 1391 CE LYS A 92 17.096 38.665 4.158 1.00 71.22 C ATOM 1392 NZ LYS A 92 16.223 38.636 5.364 1.00 54.23 N ATOM 0 H LYS A 92 16.335 40.290 -0.668 1.00 54.50 H new ATOM 0 HA LYS A 92 15.600 41.669 1.648 1.00 71.43 H new ATOM 0 HB2 LYS A 92 18.272 40.991 0.373 1.00 10.34 H new ATOM 0 HB3 LYS A 92 18.162 41.783 1.933 1.00 10.34 H new ATOM 0 HG2 LYS A 92 16.845 39.117 1.305 1.00 50.45 H new ATOM 0 HG3 LYS A 92 18.440 39.271 2.016 1.00 50.45 H new ATOM 0 HD2 LYS A 92 17.248 40.778 3.803 1.00 62.42 H new ATOM 0 HD3 LYS A 92 15.768 40.057 3.202 1.00 62.42 H new ATOM 0 HE2 LYS A 92 16.922 37.769 3.562 1.00 71.22 H new ATOM 0 HE3 LYS A 92 18.141 38.646 4.466 1.00 71.22 H new ATOM 0 HZ1 LYS A 92 15.962 37.653 5.580 1.00 54.23 H new ATOM 0 HZ2 LYS A 92 16.734 39.044 6.173 1.00 54.23 H new ATOM 0 HZ3 LYS A 92 15.362 39.191 5.183 1.00 54.23 H new ATOM 1406 N LEU A 93 16.943 43.535 -0.693 1.00 24.22 N ATOM 1407 CA LEU A 93 17.186 44.913 -1.104 1.00 52.23 C ATOM 1408 C LEU A 93 15.885 45.708 -1.137 1.00 54.44 C ATOM 1409 O LEU A 93 15.687 46.628 -0.344 1.00 22.24 O ATOM 1410 CB LEU A 93 17.852 44.946 -2.481 1.00 73.41 C ATOM 1411 CG LEU A 93 19.184 44.204 -2.600 1.00 53.10 C ATOM 1412 CD1 LEU A 93 19.578 44.045 -4.060 1.00 54.33 C ATOM 1413 CD2 LEU A 93 20.272 44.936 -1.829 1.00 22.14 C ATOM 0 H LEU A 93 17.113 42.842 -1.421 1.00 24.22 H new ATOM 0 HA LEU A 93 17.853 45.372 -0.374 1.00 52.23 H new ATOM 0 HB2 LEU A 93 17.158 44.525 -3.208 1.00 73.41 H new ATOM 0 HB3 LEU A 93 18.013 45.987 -2.760 1.00 73.41 H new ATOM 0 HG LEU A 93 19.065 43.211 -2.167 1.00 53.10 H new ATOM 0 HD11 LEU A 93 20.528 43.515 -4.125 1.00 54.33 H new ATOM 0 HD12 LEU A 93 18.809 43.477 -4.585 1.00 54.33 H new ATOM 0 HD13 LEU A 93 19.679 45.029 -4.519 1.00 54.33 H new ATOM 0 HD21 LEU A 93 21.213 44.394 -1.925 1.00 22.14 H new ATOM 0 HD22 LEU A 93 20.390 45.942 -2.232 1.00 22.14 H new ATOM 0 HD23 LEU A 93 19.994 44.997 -0.777 1.00 22.14 H new ATOM 1425 N ALA A 94 14.999 45.346 -2.060 1.00 1.31 N ATOM 1426 CA ALA A 94 13.715 46.023 -2.193 1.00 70.05 C ATOM 1427 C ALA A 94 12.942 45.999 -0.879 1.00 24.20 C ATOM 1428 O ALA A 94 12.100 46.861 -0.628 1.00 65.42 O ATOM 1429 CB ALA A 94 12.894 45.382 -3.303 1.00 13.35 C ATOM 0 H ALA A 94 15.147 44.588 -2.726 1.00 1.31 H new ATOM 0 HA ALA A 94 13.906 47.064 -2.452 1.00 70.05 H new ATOM 0 HB1 ALA A 94 11.937 45.897 -3.392 1.00 13.35 H new ATOM 0 HB2 ALA A 94 13.436 45.457 -4.246 1.00 13.35 H new ATOM 0 HB3 ALA A 94 12.720 44.332 -3.067 1.00 13.35 H new ATOM 1435 N GLN A 95 13.234 45.006 -0.045 1.00 1.24 N ATOM 1436 CA GLN A 95 12.565 44.870 1.244 1.00 52.14 C ATOM 1437 C GLN A 95 12.733 46.134 2.081 1.00 60.23 C ATOM 1438 O GLN A 95 11.770 46.642 2.654 1.00 71.11 O ATOM 1439 CB GLN A 95 13.117 43.663 2.004 1.00 11.11 C ATOM 1440 CG GLN A 95 12.237 42.427 1.905 1.00 43.31 C ATOM 1441 CD GLN A 95 11.678 42.000 3.247 1.00 32.15 C ATOM 1442 OE1 GLN A 95 12.188 41.075 3.880 1.00 63.44 O ATOM 1443 NE2 GLN A 95 10.623 42.673 3.691 1.00 53.21 N ATOM 0 H GLN A 95 13.929 44.284 -0.238 1.00 1.24 H new ATOM 0 HA GLN A 95 11.502 44.718 1.059 1.00 52.14 H new ATOM 0 HB2 GLN A 95 14.109 43.425 1.619 1.00 11.11 H new ATOM 0 HB3 GLN A 95 13.238 43.930 3.054 1.00 11.11 H new ATOM 0 HG2 GLN A 95 11.413 42.626 1.219 1.00 43.31 H new ATOM 0 HG3 GLN A 95 12.815 41.607 1.479 1.00 43.31 H new ATOM 0 HE21 GLN A 95 10.232 43.433 3.134 1.00 53.21 H new ATOM 0 HE22 GLN A 95 10.204 42.430 4.589 1.00 53.21 H new ATOM 1452 N GLN A 96 13.962 46.635 2.146 1.00 23.02 N ATOM 1453 CA GLN A 96 14.256 47.839 2.915 1.00 71.14 C ATOM 1454 C GLN A 96 14.282 49.068 2.012 1.00 63.12 C ATOM 1455 O GLN A 96 14.138 50.197 2.480 1.00 53.52 O ATOM 1456 CB GLN A 96 15.596 47.694 3.638 1.00 60.23 C ATOM 1457 CG GLN A 96 16.147 49.008 4.167 1.00 63.11 C ATOM 1458 CD GLN A 96 16.964 48.831 5.432 1.00 61.03 C ATOM 1459 OE1 GLN A 96 16.426 48.515 6.493 1.00 13.01 O ATOM 1460 NE2 GLN A 96 18.272 49.034 5.325 1.00 20.03 N ATOM 0 H GLN A 96 14.770 46.227 1.676 1.00 23.02 H new ATOM 0 HA GLN A 96 13.466 47.970 3.654 1.00 71.14 H new ATOM 0 HB2 GLN A 96 15.478 46.998 4.469 1.00 60.23 H new ATOM 0 HB3 GLN A 96 16.322 47.254 2.955 1.00 60.23 H new ATOM 0 HG2 GLN A 96 16.767 49.472 3.400 1.00 63.11 H new ATOM 0 HG3 GLN A 96 15.321 49.691 4.365 1.00 63.11 H new ATOM 0 HE21 GLN A 96 18.676 49.295 4.425 1.00 20.03 H new ATOM 0 HE22 GLN A 96 18.873 48.929 6.142 1.00 20.03 H new ATOM 1469 N TYR A 97 14.468 48.840 0.716 1.00 2.25 N ATOM 1470 CA TYR A 97 14.516 49.929 -0.252 1.00 4.32 C ATOM 1471 C TYR A 97 13.142 50.171 -0.868 1.00 40.53 C ATOM 1472 O TYR A 97 13.025 50.468 -2.057 1.00 44.04 O ATOM 1473 CB TYR A 97 15.533 49.618 -1.351 1.00 61.53 C ATOM 1474 CG TYR A 97 16.965 49.887 -0.946 1.00 73.32 C ATOM 1475 CD1 TYR A 97 17.339 51.118 -0.421 1.00 71.32 C ATOM 1476 CD2 TYR A 97 17.943 48.911 -1.089 1.00 63.12 C ATOM 1477 CE1 TYR A 97 18.646 51.369 -0.050 1.00 71.53 C ATOM 1478 CE2 TYR A 97 19.252 49.152 -0.720 1.00 2.44 C ATOM 1479 CZ TYR A 97 19.599 50.383 -0.201 1.00 34.40 C ATOM 1480 OH TYR A 97 20.902 50.628 0.167 1.00 32.40 O ATOM 0 H TYR A 97 14.588 47.911 0.312 1.00 2.25 H new ATOM 0 HA TYR A 97 14.823 50.834 0.272 1.00 4.32 H new ATOM 0 HB2 TYR A 97 15.436 48.571 -1.638 1.00 61.53 H new ATOM 0 HB3 TYR A 97 15.296 50.213 -2.233 1.00 61.53 H new ATOM 0 HD1 TYR A 97 16.595 51.892 -0.301 1.00 71.32 H new ATOM 0 HD2 TYR A 97 17.675 47.947 -1.496 1.00 63.12 H new ATOM 0 HE1 TYR A 97 18.920 52.332 0.356 1.00 71.53 H new ATOM 0 HE2 TYR A 97 20.000 48.382 -0.837 1.00 2.44 H new ATOM 0 HH TYR A 97 21.445 49.830 -0.003 1.00 32.40 H new ATOM 1490 N VAL A 98 12.103 50.043 -0.050 1.00 14.44 N ATOM 1491 CA VAL A 98 10.735 50.250 -0.512 1.00 23.40 C ATOM 1492 C VAL A 98 10.100 51.456 0.171 1.00 22.51 C ATOM 1493 O VAL A 98 9.299 52.171 -0.430 1.00 5.34 O ATOM 1494 CB VAL A 98 9.862 49.008 -0.253 1.00 31.31 C ATOM 1495 CG1 VAL A 98 9.922 48.609 1.214 1.00 64.44 C ATOM 1496 CG2 VAL A 98 8.426 49.267 -0.685 1.00 4.04 C ATOM 0 H VAL A 98 12.182 49.797 0.937 1.00 14.44 H new ATOM 0 HA VAL A 98 10.787 50.431 -1.586 1.00 23.40 H new ATOM 0 HB VAL A 98 10.253 48.181 -0.846 1.00 31.31 H new ATOM 0 HG11 VAL A 98 9.299 47.730 1.378 1.00 64.44 H new ATOM 0 HG12 VAL A 98 10.952 48.380 1.487 1.00 64.44 H new ATOM 0 HG13 VAL A 98 9.558 49.431 1.830 1.00 64.44 H new ATOM 0 HG21 VAL A 98 7.823 48.379 -0.495 1.00 4.04 H new ATOM 0 HG22 VAL A 98 8.022 50.107 -0.121 1.00 4.04 H new ATOM 0 HG23 VAL A 98 8.403 49.500 -1.749 1.00 4.04 H new ATOM 1506 N MET A 99 10.464 51.675 1.431 1.00 73.35 N ATOM 1507 CA MET A 99 9.930 52.796 2.195 1.00 23.14 C ATOM 1508 C MET A 99 10.425 54.124 1.631 1.00 62.34 C ATOM 1509 O MET A 99 9.907 55.188 1.972 1.00 24.43 O ATOM 1510 CB MET A 99 10.330 52.673 3.667 1.00 44.51 C ATOM 1511 CG MET A 99 11.784 53.031 3.933 1.00 15.34 C ATOM 1512 SD MET A 99 12.631 51.794 4.934 1.00 23.11 S ATOM 1513 CE MET A 99 14.338 52.291 4.713 1.00 12.23 C ATOM 0 H MET A 99 11.126 51.092 1.943 1.00 73.35 H new ATOM 0 HA MET A 99 8.843 52.772 2.117 1.00 23.14 H new ATOM 0 HB2 MET A 99 9.689 53.321 4.265 1.00 44.51 H new ATOM 0 HB3 MET A 99 10.149 51.651 4.000 1.00 44.51 H new ATOM 0 HG2 MET A 99 12.306 53.144 2.983 1.00 15.34 H new ATOM 0 HG3 MET A 99 11.830 53.996 4.438 1.00 15.34 H new ATOM 0 HE1 MET A 99 14.985 51.641 5.302 1.00 12.23 H new ATOM 0 HE2 MET A 99 14.606 52.212 3.659 1.00 12.23 H new ATOM 0 HE3 MET A 99 14.462 53.322 5.043 1.00 12.23 H new ATOM 1523 N THR A 100 11.431 54.055 0.764 1.00 2.11 N ATOM 1524 CA THR A 100 11.997 55.251 0.153 1.00 12.44 C ATOM 1525 C THR A 100 11.232 55.639 -1.107 1.00 43.11 C ATOM 1526 O THR A 100 10.466 56.602 -1.108 1.00 54.21 O ATOM 1527 CB THR A 100 13.482 55.052 -0.202 1.00 3.33 C ATOM 1528 OG1 THR A 100 13.705 53.707 -0.640 1.00 42.41 O ATOM 1529 CG2 THR A 100 14.370 55.354 0.996 1.00 2.21 C ATOM 0 H THR A 100 11.870 53.183 0.469 1.00 2.11 H new ATOM 0 HA THR A 100 11.912 56.052 0.888 1.00 12.44 H new ATOM 0 HB THR A 100 13.736 55.743 -1.006 1.00 3.33 H new ATOM 0 HG1 THR A 100 14.651 53.589 -0.865 1.00 42.41 H new ATOM 0 HG21 THR A 100 15.414 55.206 0.721 1.00 2.21 H new ATOM 0 HG22 THR A 100 14.220 56.387 1.309 1.00 2.21 H new ATOM 0 HG23 THR A 100 14.113 54.685 1.817 1.00 2.21 H new ATOM 1537 N SER A 101 11.445 54.883 -2.179 1.00 65.21 N ATOM 1538 CA SER A 101 10.778 55.150 -3.448 1.00 22.41 C ATOM 1539 C SER A 101 11.219 54.151 -4.514 1.00 52.21 C ATOM 1540 O SER A 101 10.443 53.787 -5.399 1.00 30.54 O ATOM 1541 CB SER A 101 11.076 56.576 -3.915 1.00 34.13 C ATOM 1542 OG SER A 101 9.943 57.412 -3.752 1.00 3.30 O ATOM 0 H SER A 101 12.074 54.080 -2.194 1.00 65.21 H new ATOM 0 HA SER A 101 9.704 55.042 -3.296 1.00 22.41 H new ATOM 0 HB2 SER A 101 11.915 56.980 -3.348 1.00 34.13 H new ATOM 0 HB3 SER A 101 11.376 56.564 -4.963 1.00 34.13 H new ATOM 0 HG SER A 101 9.697 57.449 -2.804 1.00 3.30 H new ATOM 1548 N LEU A 102 12.470 53.713 -4.424 1.00 35.32 N ATOM 1549 CA LEU A 102 13.016 52.756 -5.380 1.00 33.20 C ATOM 1550 C LEU A 102 12.502 51.348 -5.095 1.00 42.03 C ATOM 1551 O LEU A 102 13.283 50.434 -4.833 1.00 4.10 O ATOM 1552 CB LEU A 102 14.545 52.773 -5.332 1.00 35.13 C ATOM 1553 CG LEU A 102 15.195 54.146 -5.160 1.00 24.20 C ATOM 1554 CD1 LEU A 102 16.711 54.022 -5.160 1.00 61.22 C ATOM 1555 CD2 LEU A 102 14.736 55.095 -6.257 1.00 71.12 C ATOM 0 H LEU A 102 13.125 54.005 -3.699 1.00 35.32 H new ATOM 0 HA LEU A 102 12.687 53.048 -6.377 1.00 33.20 H new ATOM 0 HB2 LEU A 102 14.870 52.134 -4.511 1.00 35.13 H new ATOM 0 HB3 LEU A 102 14.923 52.327 -6.252 1.00 35.13 H new ATOM 0 HG LEU A 102 14.884 54.556 -4.199 1.00 24.20 H new ATOM 0 HD11 LEU A 102 17.157 55.009 -5.037 1.00 61.22 H new ATOM 0 HD12 LEU A 102 17.023 53.377 -4.338 1.00 61.22 H new ATOM 0 HD13 LEU A 102 17.041 53.591 -6.105 1.00 61.22 H new ATOM 0 HD21 LEU A 102 15.209 56.067 -6.118 1.00 71.12 H new ATOM 0 HD22 LEU A 102 15.017 54.690 -7.229 1.00 71.12 H new ATOM 0 HD23 LEU A 102 13.653 55.208 -6.210 1.00 71.12 H new ATOM 1567 N GLN A 103 11.185 51.182 -5.151 1.00 72.31 N ATOM 1568 CA GLN A 103 10.568 49.885 -4.901 1.00 32.54 C ATOM 1569 C GLN A 103 10.288 49.153 -6.209 1.00 62.12 C ATOM 1570 O GLN A 103 10.681 48.000 -6.382 1.00 22.52 O ATOM 1571 CB GLN A 103 9.269 50.058 -4.112 1.00 33.23 C ATOM 1572 CG GLN A 103 8.317 51.073 -4.723 1.00 54.00 C ATOM 1573 CD GLN A 103 7.168 51.426 -3.799 1.00 2.54 C ATOM 1574 OE1 GLN A 103 7.344 52.154 -2.821 1.00 44.31 O ATOM 1575 NE2 GLN A 103 5.983 50.912 -4.103 1.00 73.14 N ATOM 0 H GLN A 103 10.525 51.929 -5.367 1.00 72.31 H new ATOM 0 HA GLN A 103 11.265 49.287 -4.314 1.00 32.54 H new ATOM 0 HB2 GLN A 103 8.764 49.094 -4.043 1.00 33.23 H new ATOM 0 HB3 GLN A 103 9.510 50.365 -3.094 1.00 33.23 H new ATOM 0 HG2 GLN A 103 8.869 51.979 -4.972 1.00 54.00 H new ATOM 0 HG3 GLN A 103 7.919 50.676 -5.656 1.00 54.00 H new ATOM 0 HE21 GLN A 103 5.882 50.314 -4.923 1.00 73.14 H new ATOM 0 HE22 GLN A 103 5.173 51.115 -3.517 1.00 73.14 H new ATOM 1584 N GLN A 104 9.607 49.831 -7.127 1.00 10.31 N ATOM 1585 CA GLN A 104 9.274 49.244 -8.419 1.00 42.45 C ATOM 1586 C GLN A 104 10.534 48.807 -9.159 1.00 61.51 C ATOM 1587 O GLN A 104 10.550 47.764 -9.813 1.00 51.41 O ATOM 1588 CB GLN A 104 8.490 50.245 -9.271 1.00 23.41 C ATOM 1589 CG GLN A 104 7.170 50.670 -8.649 1.00 71.40 C ATOM 1590 CD GLN A 104 6.800 52.101 -8.985 1.00 25.01 C ATOM 1591 OE1 GLN A 104 6.763 52.966 -8.110 1.00 0.33 O ATOM 1592 NE2 GLN A 104 6.525 52.358 -10.258 1.00 42.42 N ATOM 0 H GLN A 104 9.275 50.787 -7.000 1.00 10.31 H new ATOM 0 HA GLN A 104 8.655 48.365 -8.241 1.00 42.45 H new ATOM 0 HB2 GLN A 104 9.106 51.129 -9.437 1.00 23.41 H new ATOM 0 HB3 GLN A 104 8.296 49.804 -10.249 1.00 23.41 H new ATOM 0 HG2 GLN A 104 6.379 50.004 -8.994 1.00 71.40 H new ATOM 0 HG3 GLN A 104 7.231 50.559 -7.566 1.00 71.40 H new ATOM 0 HE21 GLN A 104 6.568 51.610 -10.950 1.00 42.42 H new ATOM 0 HE22 GLN A 104 6.271 53.303 -10.544 1.00 42.42 H new ATOM 1601 N GLU A 105 11.588 49.610 -9.051 1.00 14.05 N ATOM 1602 CA GLU A 105 12.851 49.305 -9.711 1.00 24.23 C ATOM 1603 C GLU A 105 13.347 47.915 -9.322 1.00 32.14 C ATOM 1604 O GLU A 105 13.483 47.033 -10.170 1.00 23.34 O ATOM 1605 CB GLU A 105 13.906 50.353 -9.351 1.00 43.33 C ATOM 1606 CG GLU A 105 13.911 51.556 -10.280 1.00 74.32 C ATOM 1607 CD GLU A 105 15.308 52.074 -10.557 1.00 64.01 C ATOM 1608 OE1 GLU A 105 15.962 52.556 -9.609 1.00 20.35 O ATOM 1609 OE2 GLU A 105 15.749 51.997 -11.723 1.00 53.34 O ATOM 0 H GLU A 105 11.592 50.476 -8.513 1.00 14.05 H new ATOM 0 HA GLU A 105 12.682 49.324 -10.788 1.00 24.23 H new ATOM 0 HB2 GLU A 105 13.734 50.694 -8.330 1.00 43.33 H new ATOM 0 HB3 GLU A 105 14.891 49.886 -9.369 1.00 43.33 H new ATOM 0 HG2 GLU A 105 13.435 51.284 -11.222 1.00 74.32 H new ATOM 0 HG3 GLU A 105 13.313 52.353 -9.839 1.00 74.32 H new ATOM 1616 N TYR A 106 13.615 47.728 -8.034 1.00 53.01 N ATOM 1617 CA TYR A 106 14.098 46.447 -7.532 1.00 12.20 C ATOM 1618 C TYR A 106 13.178 45.310 -7.966 1.00 63.13 C ATOM 1619 O TYR A 106 13.638 44.224 -8.322 1.00 0.53 O ATOM 1620 CB TYR A 106 14.201 46.480 -6.006 1.00 62.12 C ATOM 1621 CG TYR A 106 15.528 46.999 -5.500 1.00 63.33 C ATOM 1622 CD1 TYR A 106 16.718 46.361 -5.831 1.00 14.31 C ATOM 1623 CD2 TYR A 106 15.593 48.127 -4.692 1.00 55.43 C ATOM 1624 CE1 TYR A 106 17.932 46.832 -5.370 1.00 61.51 C ATOM 1625 CE2 TYR A 106 16.803 48.606 -4.228 1.00 73.41 C ATOM 1626 CZ TYR A 106 17.969 47.954 -4.569 1.00 65.03 C ATOM 1627 OH TYR A 106 19.177 48.426 -4.110 1.00 4.45 O ATOM 0 H TYR A 106 13.506 48.447 -7.319 1.00 53.01 H new ATOM 0 HA TYR A 106 15.088 46.270 -7.953 1.00 12.20 H new ATOM 0 HB2 TYR A 106 13.401 47.105 -5.610 1.00 62.12 H new ATOM 0 HB3 TYR A 106 14.042 45.474 -5.618 1.00 62.12 H new ATOM 0 HD1 TYR A 106 16.693 45.483 -6.459 1.00 14.31 H new ATOM 0 HD2 TYR A 106 14.681 48.639 -4.422 1.00 55.43 H new ATOM 0 HE1 TYR A 106 18.847 46.324 -5.635 1.00 61.51 H new ATOM 0 HE2 TYR A 106 16.835 49.486 -3.602 1.00 73.41 H new ATOM 0 HH TYR A 106 19.100 48.652 -3.159 1.00 4.45 H new ATOM 1637 N LYS A 107 11.875 45.567 -7.936 1.00 1.14 N ATOM 1638 CA LYS A 107 10.888 44.568 -8.327 1.00 60.13 C ATOM 1639 C LYS A 107 11.006 44.239 -9.812 1.00 41.41 C ATOM 1640 O LYS A 107 10.814 43.095 -10.223 1.00 24.44 O ATOM 1641 CB LYS A 107 9.475 45.067 -8.015 1.00 64.03 C ATOM 1642 CG LYS A 107 9.042 44.810 -6.582 1.00 43.42 C ATOM 1643 CD LYS A 107 7.764 45.559 -6.243 1.00 42.14 C ATOM 1644 CE LYS A 107 8.011 46.642 -5.204 1.00 44.15 C ATOM 1645 NZ LYS A 107 7.593 46.210 -3.842 1.00 62.22 N ATOM 0 H LYS A 107 11.478 46.460 -7.645 1.00 1.14 H new ATOM 0 HA LYS A 107 11.080 43.660 -7.755 1.00 60.13 H new ATOM 0 HB2 LYS A 107 9.424 46.137 -8.215 1.00 64.03 H new ATOM 0 HB3 LYS A 107 8.770 44.583 -8.691 1.00 64.03 H new ATOM 0 HG2 LYS A 107 8.889 43.741 -6.433 1.00 43.42 H new ATOM 0 HG3 LYS A 107 9.836 45.116 -5.901 1.00 43.42 H new ATOM 0 HD2 LYS A 107 7.353 46.008 -7.147 1.00 42.14 H new ATOM 0 HD3 LYS A 107 7.018 44.858 -5.869 1.00 42.14 H new ATOM 0 HE2 LYS A 107 9.070 46.901 -5.194 1.00 44.15 H new ATOM 0 HE3 LYS A 107 7.465 47.544 -5.482 1.00 44.15 H new ATOM 0 HZ1 LYS A 107 7.730 46.993 -3.172 1.00 62.22 H new ATOM 0 HZ2 LYS A 107 6.589 45.939 -3.857 1.00 62.22 H new ATOM 0 HZ3 LYS A 107 8.167 45.396 -3.545 1.00 62.22 H new ATOM 1659 N LYS A 108 11.324 45.250 -10.614 1.00 3.34 N ATOM 1660 CA LYS A 108 11.471 45.069 -12.053 1.00 2.21 C ATOM 1661 C LYS A 108 12.612 44.106 -12.367 1.00 13.24 C ATOM 1662 O LYS A 108 12.399 43.055 -12.969 1.00 62.52 O ATOM 1663 CB LYS A 108 11.725 46.416 -12.734 1.00 11.12 C ATOM 1664 CG LYS A 108 10.513 46.965 -13.467 1.00 21.12 C ATOM 1665 CD LYS A 108 10.888 48.126 -14.372 1.00 53.13 C ATOM 1666 CE LYS A 108 11.212 47.652 -15.781 1.00 2.52 C ATOM 1667 NZ LYS A 108 10.212 48.136 -16.773 1.00 20.33 N ATOM 0 H LYS A 108 11.485 46.204 -10.291 1.00 3.34 H new ATOM 0 HA LYS A 108 10.544 44.643 -12.437 1.00 2.21 H new ATOM 0 HB2 LYS A 108 12.043 47.139 -11.983 1.00 11.12 H new ATOM 0 HB3 LYS A 108 12.548 46.307 -13.440 1.00 11.12 H new ATOM 0 HG2 LYS A 108 10.056 46.173 -14.060 1.00 21.12 H new ATOM 0 HG3 LYS A 108 9.767 47.293 -12.743 1.00 21.12 H new ATOM 0 HD2 LYS A 108 10.066 48.841 -14.407 1.00 53.13 H new ATOM 0 HD3 LYS A 108 11.749 48.650 -13.956 1.00 53.13 H new ATOM 0 HE2 LYS A 108 12.204 48.005 -16.064 1.00 2.52 H new ATOM 0 HE3 LYS A 108 11.244 46.563 -15.799 1.00 2.52 H new ATOM 0 HZ1 LYS A 108 10.468 47.792 -17.720 1.00 20.33 H new ATOM 0 HZ2 LYS A 108 9.269 47.779 -16.518 1.00 20.33 H new ATOM 0 HZ3 LYS A 108 10.199 49.176 -16.774 1.00 20.33 H new ATOM 1681 N GLN A 109 13.820 44.473 -11.953 1.00 24.34 N ATOM 1682 CA GLN A 109 14.994 43.640 -12.189 1.00 75.25 C ATOM 1683 C GLN A 109 14.741 42.204 -11.742 1.00 71.23 C ATOM 1684 O GLN A 109 15.289 41.261 -12.312 1.00 25.34 O ATOM 1685 CB GLN A 109 16.207 44.210 -11.453 1.00 60.10 C ATOM 1686 CG GLN A 109 16.918 45.315 -12.217 1.00 10.44 C ATOM 1687 CD GLN A 109 15.954 46.288 -12.868 1.00 24.14 C ATOM 1688 OE1 GLN A 109 15.538 46.096 -14.010 1.00 74.23 O ATOM 1689 NE2 GLN A 109 15.594 47.340 -12.142 1.00 44.20 N ATOM 0 H GLN A 109 14.012 45.341 -11.453 1.00 24.34 H new ATOM 0 HA GLN A 109 15.197 43.637 -13.260 1.00 75.25 H new ATOM 0 HB2 GLN A 109 15.886 44.597 -10.486 1.00 60.10 H new ATOM 0 HB3 GLN A 109 16.913 43.404 -11.255 1.00 60.10 H new ATOM 0 HG2 GLN A 109 17.573 45.859 -11.536 1.00 10.44 H new ATOM 0 HG3 GLN A 109 17.553 44.871 -12.984 1.00 10.44 H new ATOM 0 HE21 GLN A 109 15.964 47.459 -11.199 1.00 44.20 H new ATOM 0 HE22 GLN A 109 14.948 48.029 -12.527 1.00 44.20 H new ATOM 1698 N MET A 110 13.907 42.046 -10.719 1.00 64.22 N ATOM 1699 CA MET A 110 13.582 40.724 -10.196 1.00 72.14 C ATOM 1700 C MET A 110 12.885 39.877 -11.256 1.00 62.53 C ATOM 1701 O MET A 110 13.310 38.758 -11.549 1.00 34.33 O ATOM 1702 CB MET A 110 12.691 40.847 -8.959 1.00 21.24 C ATOM 1703 CG MET A 110 12.926 39.753 -7.930 1.00 31.41 C ATOM 1704 SD MET A 110 11.450 38.765 -7.618 1.00 22.43 S ATOM 1705 CE MET A 110 11.561 37.563 -8.942 1.00 12.25 C ATOM 0 H MET A 110 13.444 42.816 -10.236 1.00 64.22 H new ATOM 0 HA MET A 110 14.514 40.232 -9.917 1.00 72.14 H new ATOM 0 HB2 MET A 110 12.863 41.817 -8.492 1.00 21.24 H new ATOM 0 HB3 MET A 110 11.647 40.824 -9.270 1.00 21.24 H new ATOM 0 HG2 MET A 110 13.729 39.101 -8.275 1.00 31.41 H new ATOM 0 HG3 MET A 110 13.261 40.204 -6.996 1.00 31.41 H new ATOM 0 HE1 MET A 110 10.982 36.678 -8.679 1.00 12.25 H new ATOM 0 HE2 MET A 110 11.165 37.996 -9.861 1.00 12.25 H new ATOM 0 HE3 MET A 110 12.604 37.283 -9.093 1.00 12.25 H new ATOM 1715 N LEU A 111 11.814 40.416 -11.828 1.00 64.45 N ATOM 1716 CA LEU A 111 11.059 39.708 -12.856 1.00 55.55 C ATOM 1717 C LEU A 111 11.980 39.214 -13.967 1.00 1.40 C ATOM 1718 O LEU A 111 11.797 38.120 -14.500 1.00 72.54 O ATOM 1719 CB LEU A 111 9.979 40.621 -13.442 1.00 22.30 C ATOM 1720 CG LEU A 111 10.406 41.493 -14.623 1.00 72.34 C ATOM 1721 CD1 LEU A 111 10.234 40.739 -15.933 1.00 34.21 C ATOM 1722 CD2 LEU A 111 9.610 42.790 -14.644 1.00 20.42 C ATOM 0 H LEU A 111 11.449 41.340 -11.598 1.00 64.45 H new ATOM 0 HA LEU A 111 10.585 38.843 -12.392 1.00 55.55 H new ATOM 0 HB2 LEU A 111 9.140 40.001 -13.758 1.00 22.30 H new ATOM 0 HB3 LEU A 111 9.613 41.273 -12.649 1.00 22.30 H new ATOM 0 HG LEU A 111 11.461 41.739 -14.505 1.00 72.34 H new ATOM 0 HD11 LEU A 111 10.543 41.375 -16.762 1.00 34.21 H new ATOM 0 HD12 LEU A 111 10.848 39.839 -15.918 1.00 34.21 H new ATOM 0 HD13 LEU A 111 9.187 40.462 -16.059 1.00 34.21 H new ATOM 0 HD21 LEU A 111 9.927 43.398 -15.491 1.00 20.42 H new ATOM 0 HD22 LEU A 111 8.548 42.564 -14.737 1.00 20.42 H new ATOM 0 HD23 LEU A 111 9.784 43.339 -13.718 1.00 20.42 H new ATOM 1734 N THR A 112 12.974 40.028 -14.310 1.00 70.02 N ATOM 1735 CA THR A 112 13.925 39.674 -15.356 1.00 62.30 C ATOM 1736 C THR A 112 14.613 38.349 -15.048 1.00 24.05 C ATOM 1737 O THR A 112 14.527 37.398 -15.824 1.00 45.43 O ATOM 1738 CB THR A 112 14.996 40.766 -15.535 1.00 2.22 C ATOM 1739 OG1 THR A 112 14.518 42.011 -15.014 1.00 54.31 O ATOM 1740 CG2 THR A 112 15.361 40.931 -17.002 1.00 42.24 C ATOM 0 H THR A 112 13.141 40.937 -13.878 1.00 70.02 H new ATOM 0 HA THR A 112 13.356 39.579 -16.281 1.00 62.30 H new ATOM 0 HB THR A 112 15.888 40.462 -14.987 1.00 2.22 H new ATOM 0 HG1 THR A 112 15.132 42.730 -15.270 1.00 54.31 H new ATOM 0 HG21 THR A 112 16.119 41.708 -17.103 1.00 42.24 H new ATOM 0 HG22 THR A 112 15.752 39.990 -17.388 1.00 42.24 H new ATOM 0 HG23 THR A 112 14.474 41.214 -17.568 1.00 42.24 H new ATOM 1748 N ALA A 113 15.296 38.293 -13.908 1.00 54.14 N ATOM 1749 CA ALA A 113 15.996 37.083 -13.496 1.00 44.32 C ATOM 1750 C ALA A 113 15.055 35.884 -13.475 1.00 30.12 C ATOM 1751 O ALA A 113 15.340 34.849 -14.076 1.00 74.24 O ATOM 1752 CB ALA A 113 16.632 37.282 -12.128 1.00 65.13 C ATOM 0 H ALA A 113 15.379 39.072 -13.254 1.00 54.14 H new ATOM 0 HA ALA A 113 16.782 36.881 -14.224 1.00 44.32 H new ATOM 0 HB1 ALA A 113 17.152 36.371 -11.832 1.00 65.13 H new ATOM 0 HB2 ALA A 113 17.343 38.107 -12.174 1.00 65.13 H new ATOM 0 HB3 ALA A 113 15.857 37.512 -11.396 1.00 65.13 H new ATOM 1758 N ALA A 114 13.933 36.030 -12.777 1.00 41.44 N ATOM 1759 CA ALA A 114 12.949 34.959 -12.679 1.00 44.30 C ATOM 1760 C ALA A 114 12.469 34.526 -14.060 1.00 44.31 C ATOM 1761 O ALA A 114 12.171 33.353 -14.285 1.00 63.21 O ATOM 1762 CB ALA A 114 11.772 35.401 -11.823 1.00 54.43 C ATOM 0 H ALA A 114 13.683 36.880 -12.271 1.00 41.44 H new ATOM 0 HA ALA A 114 13.427 34.102 -12.205 1.00 44.30 H new ATOM 0 HB1 ALA A 114 11.045 34.592 -11.758 1.00 54.43 H new ATOM 0 HB2 ALA A 114 12.124 35.653 -10.823 1.00 54.43 H new ATOM 0 HB3 ALA A 114 11.302 36.275 -12.274 1.00 54.43 H new ATOM 1768 N HIS A 115 12.396 35.481 -14.982 1.00 71.13 N ATOM 1769 CA HIS A 115 11.951 35.197 -16.342 1.00 44.43 C ATOM 1770 C HIS A 115 12.793 34.090 -16.969 1.00 35.50 C ATOM 1771 O HIS A 115 12.283 33.016 -17.290 1.00 50.42 O ATOM 1772 CB HIS A 115 12.029 36.460 -17.200 1.00 43.45 C ATOM 1773 CG HIS A 115 11.261 36.362 -18.482 1.00 54.11 C ATOM 1774 ND1 HIS A 115 11.815 36.633 -19.715 1.00 41.51 N ATOM 1775 CD2 HIS A 115 9.973 36.018 -18.718 1.00 31.01 C ATOM 1776 CE1 HIS A 115 10.901 36.462 -20.654 1.00 3.34 C ATOM 1777 NE2 HIS A 115 9.775 36.088 -20.075 1.00 15.21 N ATOM 0 H HIS A 115 12.639 36.457 -14.812 1.00 71.13 H new ATOM 0 HA HIS A 115 10.915 34.860 -16.296 1.00 44.43 H new ATOM 0 HB2 HIS A 115 11.651 37.305 -16.624 1.00 43.45 H new ATOM 0 HB3 HIS A 115 13.074 36.671 -17.427 1.00 43.45 H new ATOM 0 HD2 HIS A 115 9.238 35.740 -17.977 1.00 31.01 H new ATOM 0 HE1 HIS A 115 11.050 36.604 -21.714 1.00 3.34 H new ATOM 0 HE2 HIS A 115 8.900 35.884 -20.557 1.00 15.21 H new ATOM 1785 N ALA A 116 14.083 34.358 -17.140 1.00 72.14 N ATOM 1786 CA ALA A 116 14.994 33.384 -17.727 1.00 63.43 C ATOM 1787 C ALA A 116 15.041 32.105 -16.897 1.00 13.41 C ATOM 1788 O ALA A 116 15.057 31.000 -17.440 1.00 55.02 O ATOM 1789 CB ALA A 116 16.388 33.979 -17.862 1.00 21.24 C ATOM 0 H ALA A 116 14.521 35.242 -16.880 1.00 72.14 H new ATOM 0 HA ALA A 116 14.622 33.128 -18.719 1.00 63.43 H new ATOM 0 HB1 ALA A 116 17.058 33.240 -18.302 1.00 21.24 H new ATOM 0 HB2 ALA A 116 16.347 34.859 -18.503 1.00 21.24 H new ATOM 0 HB3 ALA A 116 16.759 34.264 -16.877 1.00 21.24 H new ATOM 1795 N LEU A 117 15.063 32.263 -15.578 1.00 70.11 N ATOM 1796 CA LEU A 117 15.108 31.121 -14.672 1.00 23.33 C ATOM 1797 C LEU A 117 13.940 30.174 -14.930 1.00 4.11 C ATOM 1798 O LEU A 117 14.130 28.970 -15.096 1.00 32.42 O ATOM 1799 CB LEU A 117 15.082 31.597 -13.218 1.00 63.42 C ATOM 1800 CG LEU A 117 15.605 30.605 -12.178 1.00 5.40 C ATOM 1801 CD1 LEU A 117 14.648 29.433 -12.029 1.00 3.11 C ATOM 1802 CD2 LEU A 117 16.995 30.116 -12.559 1.00 2.51 C ATOM 0 H LEU A 117 15.050 33.170 -15.112 1.00 70.11 H new ATOM 0 HA LEU A 117 16.037 30.580 -14.855 1.00 23.33 H new ATOM 0 HB2 LEU A 117 15.670 32.512 -13.146 1.00 63.42 H new ATOM 0 HB3 LEU A 117 14.055 31.856 -12.960 1.00 63.42 H new ATOM 0 HG LEU A 117 15.672 31.117 -11.218 1.00 5.40 H new ATOM 0 HD11 LEU A 117 15.037 28.738 -11.285 1.00 3.11 H new ATOM 0 HD12 LEU A 117 13.672 29.798 -11.709 1.00 3.11 H new ATOM 0 HD13 LEU A 117 14.548 28.921 -12.986 1.00 3.11 H new ATOM 0 HD21 LEU A 117 17.351 29.411 -11.808 1.00 2.51 H new ATOM 0 HD22 LEU A 117 16.953 29.622 -13.530 1.00 2.51 H new ATOM 0 HD23 LEU A 117 17.677 30.964 -12.613 1.00 2.51 H new ATOM 1814 N ALA A 118 12.733 30.728 -14.964 1.00 51.23 N ATOM 1815 CA ALA A 118 11.535 29.934 -15.207 1.00 13.23 C ATOM 1816 C ALA A 118 11.690 29.074 -16.456 1.00 32.31 C ATOM 1817 O ALA A 118 11.376 27.883 -16.445 1.00 54.41 O ATOM 1818 CB ALA A 118 10.319 30.840 -15.335 1.00 34.43 C ATOM 0 H ALA A 118 12.559 31.724 -14.826 1.00 51.23 H new ATOM 0 HA ALA A 118 11.391 29.269 -14.356 1.00 13.23 H new ATOM 0 HB1 ALA A 118 9.431 30.234 -15.516 1.00 34.43 H new ATOM 0 HB2 ALA A 118 10.189 31.407 -14.413 1.00 34.43 H new ATOM 0 HB3 ALA A 118 10.464 31.529 -16.167 1.00 34.43 H new ATOM 1824 N VAL A 119 12.176 29.683 -17.533 1.00 13.55 N ATOM 1825 CA VAL A 119 12.373 28.973 -18.790 1.00 72.32 C ATOM 1826 C VAL A 119 13.212 27.717 -18.586 1.00 23.42 C ATOM 1827 O VAL A 119 12.939 26.672 -19.177 1.00 60.11 O ATOM 1828 CB VAL A 119 13.057 29.869 -19.840 1.00 74.40 C ATOM 1829 CG1 VAL A 119 13.374 29.072 -21.097 1.00 15.43 C ATOM 1830 CG2 VAL A 119 12.181 31.069 -20.166 1.00 45.43 C ATOM 0 H VAL A 119 12.441 30.668 -17.559 1.00 13.55 H new ATOM 0 HA VAL A 119 11.384 28.691 -19.152 1.00 72.32 H new ATOM 0 HB VAL A 119 13.996 30.235 -19.425 1.00 74.40 H new ATOM 0 HG11 VAL A 119 13.857 29.721 -21.827 1.00 15.43 H new ATOM 0 HG12 VAL A 119 14.042 28.248 -20.847 1.00 15.43 H new ATOM 0 HG13 VAL A 119 12.451 28.675 -21.519 1.00 15.43 H new ATOM 0 HG21 VAL A 119 12.679 31.692 -20.909 1.00 45.43 H new ATOM 0 HG22 VAL A 119 11.225 30.725 -20.562 1.00 45.43 H new ATOM 0 HG23 VAL A 119 12.010 31.651 -19.261 1.00 45.43 H new ATOM 1840 N ASP A 120 14.235 27.826 -17.745 1.00 34.54 N ATOM 1841 CA ASP A 120 15.114 26.698 -17.460 1.00 62.32 C ATOM 1842 C ASP A 120 14.322 25.517 -16.907 1.00 23.10 C ATOM 1843 O ASP A 120 14.447 24.392 -17.390 1.00 42.24 O ATOM 1844 CB ASP A 120 16.201 27.109 -16.466 1.00 43.21 C ATOM 1845 CG ASP A 120 17.549 26.498 -16.796 1.00 11.01 C ATOM 1846 OD1 ASP A 120 17.649 25.253 -16.810 1.00 13.00 O ATOM 1847 OD2 ASP A 120 18.504 27.265 -17.041 1.00 34.42 O ATOM 0 H ASP A 120 14.476 28.684 -17.249 1.00 34.54 H new ATOM 0 HA ASP A 120 15.584 26.391 -18.394 1.00 62.32 H new ATOM 0 HB2 ASP A 120 16.290 28.195 -16.458 1.00 43.21 H new ATOM 0 HB3 ASP A 120 15.904 26.806 -15.462 1.00 43.21 H new ATOM 1852 N ALA A 121 13.508 25.781 -15.890 1.00 44.32 N ATOM 1853 CA ALA A 121 12.696 24.741 -15.272 1.00 13.11 C ATOM 1854 C ALA A 121 11.901 23.970 -16.320 1.00 72.11 C ATOM 1855 O ALA A 121 11.736 22.754 -16.219 1.00 61.11 O ATOM 1856 CB ALA A 121 11.759 25.348 -14.238 1.00 2.03 C ATOM 0 H ALA A 121 13.394 26.707 -15.477 1.00 44.32 H new ATOM 0 HA ALA A 121 13.365 24.040 -14.773 1.00 13.11 H new ATOM 0 HB1 ALA A 121 11.158 24.560 -13.784 1.00 2.03 H new ATOM 0 HB2 ALA A 121 12.344 25.848 -13.466 1.00 2.03 H new ATOM 0 HB3 ALA A 121 11.103 26.071 -14.722 1.00 2.03 H new ATOM 1862 N LYS A 122 11.409 24.684 -17.327 1.00 12.24 N ATOM 1863 CA LYS A 122 10.631 24.068 -18.395 1.00 30.33 C ATOM 1864 C LYS A 122 11.534 23.285 -19.343 1.00 52.42 C ATOM 1865 O LYS A 122 11.202 22.175 -19.756 1.00 22.13 O ATOM 1866 CB LYS A 122 9.859 25.135 -19.173 1.00 12.40 C ATOM 1867 CG LYS A 122 9.098 24.586 -20.367 1.00 50.34 C ATOM 1868 CD LYS A 122 7.940 23.703 -19.933 1.00 64.00 C ATOM 1869 CE LYS A 122 7.392 22.891 -21.096 1.00 61.23 C ATOM 1870 NZ LYS A 122 6.327 23.626 -21.833 1.00 2.20 N ATOM 0 H LYS A 122 11.536 25.691 -17.426 1.00 12.24 H new ATOM 0 HA LYS A 122 9.922 23.375 -17.941 1.00 30.33 H new ATOM 0 HB2 LYS A 122 9.157 25.626 -18.500 1.00 12.40 H new ATOM 0 HB3 LYS A 122 10.557 25.898 -19.517 1.00 12.40 H new ATOM 0 HG2 LYS A 122 8.721 25.412 -20.970 1.00 50.34 H new ATOM 0 HG3 LYS A 122 9.776 24.013 -21.000 1.00 50.34 H new ATOM 0 HD2 LYS A 122 8.271 23.030 -19.142 1.00 64.00 H new ATOM 0 HD3 LYS A 122 7.146 24.322 -19.514 1.00 64.00 H new ATOM 0 HE2 LYS A 122 8.203 22.644 -21.781 1.00 61.23 H new ATOM 0 HE3 LYS A 122 6.991 21.948 -20.724 1.00 61.23 H new ATOM 0 HZ1 LYS A 122 5.980 23.039 -22.618 1.00 2.20 H new ATOM 0 HZ2 LYS A 122 5.541 23.839 -21.186 1.00 2.20 H new ATOM 0 HZ3 LYS A 122 6.715 24.514 -22.210 1.00 2.20 H new ATOM 1884 N ASN A 123 12.677 23.872 -19.684 1.00 14.31 N ATOM 1885 CA ASN A 123 13.628 23.229 -20.583 1.00 53.12 C ATOM 1886 C ASN A 123 14.096 21.893 -20.015 1.00 33.11 C ATOM 1887 O ASN A 123 14.579 21.029 -20.748 1.00 32.21 O ATOM 1888 CB ASN A 123 14.831 24.143 -20.825 1.00 31.22 C ATOM 1889 CG ASN A 123 14.443 25.443 -21.503 1.00 31.24 C ATOM 1890 OD1 ASN A 123 13.346 25.568 -22.047 1.00 41.44 O ATOM 1891 ND2 ASN A 123 15.344 26.418 -21.472 1.00 30.31 N ATOM 0 H ASN A 123 12.967 24.792 -19.351 1.00 14.31 H new ATOM 0 HA ASN A 123 13.125 23.043 -21.532 1.00 53.12 H new ATOM 0 HB2 ASN A 123 15.314 24.363 -19.873 1.00 31.22 H new ATOM 0 HB3 ASN A 123 15.563 23.620 -21.440 1.00 31.22 H new ATOM 0 HD21 ASN A 123 15.139 27.316 -21.911 1.00 30.31 H new ATOM 0 HD22 ASN A 123 16.241 26.269 -21.009 1.00 30.31 H new ATOM 1898 N LEU A 124 13.949 21.730 -18.705 1.00 33.42 N ATOM 1899 CA LEU A 124 14.355 20.498 -18.037 1.00 5.12 C ATOM 1900 C LEU A 124 13.768 19.278 -18.739 1.00 51.11 C ATOM 1901 O LEU A 124 14.501 18.426 -19.244 1.00 14.04 O ATOM 1902 CB LEU A 124 13.914 20.519 -16.572 1.00 44.33 C ATOM 1903 CG LEU A 124 14.577 21.576 -15.687 1.00 74.31 C ATOM 1904 CD1 LEU A 124 14.140 21.409 -14.240 1.00 4.12 C ATOM 1905 CD2 LEU A 124 16.092 21.494 -15.802 1.00 52.32 C ATOM 0 H LEU A 124 13.552 22.435 -18.084 1.00 33.42 H new ATOM 0 HA LEU A 124 15.442 20.432 -18.082 1.00 5.12 H new ATOM 0 HB2 LEU A 124 12.835 20.672 -16.540 1.00 44.33 H new ATOM 0 HB3 LEU A 124 14.110 19.538 -16.140 1.00 44.33 H new ATOM 0 HG LEU A 124 14.260 22.561 -16.030 1.00 74.31 H new ATOM 0 HD11 LEU A 124 14.621 22.169 -13.625 1.00 4.12 H new ATOM 0 HD12 LEU A 124 13.058 21.519 -14.172 1.00 4.12 H new ATOM 0 HD13 LEU A 124 14.427 20.419 -13.885 1.00 4.12 H new ATOM 0 HD21 LEU A 124 16.547 22.253 -15.166 1.00 52.32 H new ATOM 0 HD22 LEU A 124 16.428 20.507 -15.486 1.00 52.32 H new ATOM 0 HD23 LEU A 124 16.388 21.663 -16.837 1.00 52.32 H new ATOM 1917 N LEU A 125 12.442 19.201 -18.770 1.00 1.31 N ATOM 1918 CA LEU A 125 11.755 18.086 -19.413 1.00 1.51 C ATOM 1919 C LEU A 125 11.793 18.227 -20.931 1.00 74.53 C ATOM 1920 O LEU A 125 11.831 17.232 -21.656 1.00 34.23 O ATOM 1921 CB LEU A 125 10.305 18.010 -18.932 1.00 70.20 C ATOM 1922 CG LEU A 125 9.870 16.677 -18.323 1.00 34.34 C ATOM 1923 CD1 LEU A 125 9.562 16.841 -16.842 1.00 44.43 C ATOM 1924 CD2 LEU A 125 8.660 16.122 -19.062 1.00 5.04 C ATOM 0 H LEU A 125 11.821 19.897 -18.357 1.00 1.31 H new ATOM 0 HA LEU A 125 12.271 17.166 -19.139 1.00 1.51 H new ATOM 0 HB2 LEU A 125 10.147 18.794 -18.191 1.00 70.20 H new ATOM 0 HB3 LEU A 125 9.651 18.232 -19.775 1.00 70.20 H new ATOM 0 HG LEU A 125 10.691 15.968 -18.426 1.00 34.34 H new ATOM 0 HD11 LEU A 125 9.254 15.882 -16.426 1.00 44.43 H new ATOM 0 HD12 LEU A 125 10.453 17.193 -16.322 1.00 44.43 H new ATOM 0 HD13 LEU A 125 8.758 17.566 -16.716 1.00 44.43 H new ATOM 0 HD21 LEU A 125 8.364 15.173 -18.615 1.00 5.04 H new ATOM 0 HD22 LEU A 125 7.834 16.830 -18.991 1.00 5.04 H new ATOM 0 HD23 LEU A 125 8.914 15.966 -20.110 1.00 5.04 H new ATOM 1936 N ASP A 126 11.784 19.467 -21.406 1.00 53.11 N ATOM 1937 CA ASP A 126 11.820 19.738 -22.839 1.00 20.14 C ATOM 1938 C ASP A 126 13.055 19.112 -23.479 1.00 2.13 C ATOM 1939 O ASP A 126 12.974 18.506 -24.547 1.00 41.12 O ATOM 1940 CB ASP A 126 11.806 21.246 -23.095 1.00 20.32 C ATOM 1941 CG ASP A 126 11.212 21.598 -24.444 1.00 54.21 C ATOM 1942 OD1 ASP A 126 10.788 20.671 -25.166 1.00 1.43 O ATOM 1943 OD2 ASP A 126 11.171 22.801 -24.779 1.00 34.20 O ATOM 0 H ASP A 126 11.752 20.301 -20.820 1.00 53.11 H new ATOM 0 HA ASP A 126 10.934 19.293 -23.291 1.00 20.14 H new ATOM 0 HB2 ASP A 126 11.234 21.740 -22.309 1.00 20.32 H new ATOM 0 HB3 ASP A 126 12.824 21.631 -23.038 1.00 20.32 H new ATOM 1948 N VAL A 127 14.199 19.264 -22.819 1.00 30.04 N ATOM 1949 CA VAL A 127 15.452 18.714 -23.323 1.00 34.02 C ATOM 1950 C VAL A 127 15.472 17.194 -23.203 1.00 4.34 C ATOM 1951 O VAL A 127 15.556 16.484 -24.205 1.00 22.54 O ATOM 1952 CB VAL A 127 16.663 19.294 -22.569 1.00 41.21 C ATOM 1953 CG1 VAL A 127 17.955 18.673 -23.076 1.00 64.25 C ATOM 1954 CG2 VAL A 127 16.700 20.809 -22.707 1.00 21.34 C ATOM 0 H VAL A 127 14.284 19.764 -21.934 1.00 30.04 H new ATOM 0 HA VAL A 127 15.521 18.994 -24.374 1.00 34.02 H new ATOM 0 HB VAL A 127 16.562 19.050 -21.511 1.00 41.21 H new ATOM 0 HG11 VAL A 127 18.800 19.095 -22.532 1.00 64.25 H new ATOM 0 HG12 VAL A 127 17.926 17.594 -22.921 1.00 64.25 H new ATOM 0 HG13 VAL A 127 18.067 18.884 -24.140 1.00 64.25 H new ATOM 0 HG21 VAL A 127 17.562 21.202 -22.168 1.00 21.34 H new ATOM 0 HG22 VAL A 127 16.778 21.077 -23.761 1.00 21.34 H new ATOM 0 HG23 VAL A 127 15.787 21.235 -22.291 1.00 21.34 H new ATOM 1964 N ILE A 128 15.395 16.703 -21.971 1.00 20.34 N ATOM 1965 CA ILE A 128 15.403 15.267 -21.720 1.00 23.13 C ATOM 1966 C ILE A 128 14.358 14.554 -22.571 1.00 44.03 C ATOM 1967 O ILE A 128 14.512 13.379 -22.906 1.00 41.45 O ATOM 1968 CB ILE A 128 15.140 14.953 -20.235 1.00 11.40 C ATOM 1969 CG1 ILE A 128 15.589 13.528 -19.905 1.00 11.43 C ATOM 1970 CG2 ILE A 128 13.666 15.139 -19.908 1.00 12.33 C ATOM 1971 CD1 ILE A 128 16.139 13.378 -18.504 1.00 34.44 C ATOM 0 H ILE A 128 15.326 17.278 -21.131 1.00 20.34 H new ATOM 0 HA ILE A 128 16.396 14.906 -21.989 1.00 23.13 H new ATOM 0 HB ILE A 128 15.718 15.646 -19.624 1.00 11.40 H new ATOM 0 HG12 ILE A 128 14.744 12.851 -20.029 1.00 11.43 H new ATOM 0 HG13 ILE A 128 16.351 13.221 -20.621 1.00 11.43 H new ATOM 0 HG21 ILE A 128 13.496 14.913 -18.855 1.00 12.33 H new ATOM 0 HG22 ILE A 128 13.376 16.170 -20.110 1.00 12.33 H new ATOM 0 HG23 ILE A 128 13.069 14.467 -20.524 1.00 12.33 H new ATOM 0 HD11 ILE A 128 16.438 12.343 -18.339 1.00 34.44 H new ATOM 0 HD12 ILE A 128 17.004 14.029 -18.381 1.00 34.44 H new ATOM 0 HD13 ILE A 128 15.372 13.654 -17.780 1.00 34.44 H new ATOM 1983 N ASP A 129 13.297 15.273 -22.919 1.00 73.45 N ATOM 1984 CA ASP A 129 12.227 14.710 -23.735 1.00 73.02 C ATOM 1985 C ASP A 129 12.785 14.096 -25.015 1.00 71.40 C ATOM 1986 O ASP A 129 12.355 13.023 -25.438 1.00 33.00 O ATOM 1987 CB ASP A 129 11.198 15.788 -24.079 1.00 12.22 C ATOM 1988 CG ASP A 129 9.932 15.665 -23.253 1.00 62.24 C ATOM 1989 OD1 ASP A 129 10.039 15.368 -22.045 1.00 71.23 O ATOM 1990 OD2 ASP A 129 8.835 15.864 -23.816 1.00 12.33 O ATOM 0 H ASP A 129 13.154 16.246 -22.649 1.00 73.45 H new ATOM 0 HA ASP A 129 11.740 13.924 -23.158 1.00 73.02 H new ATOM 0 HB2 ASP A 129 11.639 16.772 -23.918 1.00 12.22 H new ATOM 0 HB3 ASP A 129 10.946 15.721 -25.137 1.00 12.22 H new ATOM 1995 N GLN A 130 13.744 14.784 -25.626 1.00 72.54 N ATOM 1996 CA GLN A 130 14.359 14.306 -26.859 1.00 71.40 C ATOM 1997 C GLN A 130 15.017 12.946 -26.647 1.00 41.24 C ATOM 1998 O GLN A 130 15.171 12.167 -27.588 1.00 3.34 O ATOM 1999 CB GLN A 130 15.394 15.314 -27.362 1.00 34.22 C ATOM 2000 CG GLN A 130 14.789 16.465 -28.150 1.00 32.35 C ATOM 2001 CD GLN A 130 14.306 16.042 -29.523 1.00 64.11 C ATOM 2002 OE1 GLN A 130 14.643 14.960 -30.006 1.00 41.53 O ATOM 2003 NE2 GLN A 130 13.513 16.895 -30.161 1.00 32.44 N ATOM 0 H GLN A 130 14.112 15.673 -25.288 1.00 72.54 H new ATOM 0 HA GLN A 130 13.575 14.197 -27.608 1.00 71.40 H new ATOM 0 HB2 GLN A 130 15.941 15.716 -26.510 1.00 34.22 H new ATOM 0 HB3 GLN A 130 16.118 14.796 -27.990 1.00 34.22 H new ATOM 0 HG2 GLN A 130 13.954 16.885 -27.589 1.00 32.35 H new ATOM 0 HG3 GLN A 130 15.531 17.256 -28.258 1.00 32.35 H new ATOM 0 HE21 GLN A 130 13.259 17.781 -29.723 1.00 32.44 H new ATOM 0 HE22 GLN A 130 13.158 16.665 -31.089 1.00 32.44 H new ATOM 2012 N ALA A 131 15.404 12.668 -25.407 1.00 12.33 N ATOM 2013 CA ALA A 131 16.044 11.402 -25.072 1.00 0.45 C ATOM 2014 C ALA A 131 15.041 10.254 -25.104 1.00 12.41 C ATOM 2015 O ALA A 131 15.285 9.222 -25.729 1.00 34.03 O ATOM 2016 CB ALA A 131 16.704 11.491 -23.703 1.00 61.35 C ATOM 0 H ALA A 131 15.286 13.303 -24.617 1.00 12.33 H new ATOM 0 HA ALA A 131 16.810 11.201 -25.821 1.00 0.45 H new ATOM 0 HB1 ALA A 131 17.178 10.539 -23.465 1.00 61.35 H new ATOM 0 HB2 ALA A 131 17.457 12.279 -23.713 1.00 61.35 H new ATOM 0 HB3 ALA A 131 15.950 11.719 -22.950 1.00 61.35 H new ATOM 2022 N ARG A 132 13.913 10.441 -24.426 1.00 52.14 N ATOM 2023 CA ARG A 132 12.874 9.420 -24.376 1.00 74.24 C ATOM 2024 C ARG A 132 12.501 8.954 -25.781 1.00 25.41 C ATOM 2025 O ARG A 132 12.350 7.757 -26.030 1.00 22.23 O ATOM 2026 CB ARG A 132 11.633 9.958 -23.661 1.00 4.41 C ATOM 2027 CG ARG A 132 11.057 8.997 -22.634 1.00 3.52 C ATOM 2028 CD ARG A 132 9.546 9.134 -22.529 1.00 44.10 C ATOM 2029 NE ARG A 132 8.872 7.843 -22.630 1.00 73.22 N ATOM 2030 CZ ARG A 132 7.628 7.629 -22.215 1.00 23.22 C ATOM 2031 NH1 ARG A 132 6.928 8.616 -21.674 1.00 35.34 N ATOM 2032 NH2 ARG A 132 7.083 6.426 -22.341 1.00 61.30 N ATOM 0 H ARG A 132 13.696 11.290 -23.904 1.00 52.14 H new ATOM 0 HA ARG A 132 13.265 8.568 -23.820 1.00 74.24 H new ATOM 0 HB2 ARG A 132 11.887 10.896 -23.166 1.00 4.41 H new ATOM 0 HB3 ARG A 132 10.867 10.186 -24.402 1.00 4.41 H new ATOM 0 HG2 ARG A 132 11.312 7.973 -22.908 1.00 3.52 H new ATOM 0 HG3 ARG A 132 11.509 9.189 -21.661 1.00 3.52 H new ATOM 0 HD2 ARG A 132 9.290 9.604 -21.579 1.00 44.10 H new ATOM 0 HD3 ARG A 132 9.186 9.794 -23.318 1.00 44.10 H new ATOM 0 HE ARG A 132 9.384 7.063 -23.042 1.00 73.22 H new ATOM 0 HH11 ARG A 132 7.344 9.542 -21.576 1.00 35.34 H new ATOM 0 HH12 ARG A 132 5.973 8.449 -21.356 1.00 35.34 H new ATOM 0 HH21 ARG A 132 7.619 5.664 -22.757 1.00 61.30 H new ATOM 0 HH22 ARG A 132 6.128 6.263 -22.022 1.00 61.30 H new ATOM 2046 N LEU A 133 12.355 9.906 -26.695 1.00 52.12 N ATOM 2047 CA LEU A 133 12.000 9.594 -28.075 1.00 73.22 C ATOM 2048 C LEU A 133 13.093 8.767 -28.745 1.00 51.41 C ATOM 2049 O LEU A 133 12.811 7.789 -29.437 1.00 51.25 O ATOM 2050 CB LEU A 133 11.762 10.882 -28.865 1.00 73.23 C ATOM 2051 CG LEU A 133 11.789 10.750 -30.388 1.00 65.35 C ATOM 2052 CD1 LEU A 133 10.816 11.728 -31.027 1.00 10.21 C ATOM 2053 CD2 LEU A 133 13.198 10.974 -30.918 1.00 4.43 C ATOM 0 H LEU A 133 12.477 10.901 -26.506 1.00 52.12 H new ATOM 0 HA LEU A 133 11.082 9.007 -28.064 1.00 73.22 H new ATOM 0 HB2 LEU A 133 10.794 11.290 -28.573 1.00 73.23 H new ATOM 0 HB3 LEU A 133 12.517 11.610 -28.570 1.00 73.23 H new ATOM 0 HG LEU A 133 11.480 9.738 -30.651 1.00 65.35 H new ATOM 0 HD11 LEU A 133 10.850 11.619 -32.111 1.00 10.21 H new ATOM 0 HD12 LEU A 133 9.806 11.521 -30.673 1.00 10.21 H new ATOM 0 HD13 LEU A 133 11.093 12.747 -30.756 1.00 10.21 H new ATOM 0 HD21 LEU A 133 13.198 10.876 -32.004 1.00 4.43 H new ATOM 0 HD22 LEU A 133 13.535 11.974 -30.644 1.00 4.43 H new ATOM 0 HD23 LEU A 133 13.871 10.233 -30.487 1.00 4.43 H new ATOM 2065 N LYS A 134 14.343 9.166 -28.533 1.00 15.02 N ATOM 2066 CA LYS A 134 15.480 8.461 -29.112 1.00 52.34 C ATOM 2067 C LYS A 134 15.436 6.977 -28.763 1.00 55.14 C ATOM 2068 O LYS A 134 15.893 6.135 -29.535 1.00 70.22 O ATOM 2069 CB LYS A 134 16.792 9.074 -28.617 1.00 71.30 C ATOM 2070 CG LYS A 134 17.368 10.119 -29.556 1.00 51.21 C ATOM 2071 CD LYS A 134 18.887 10.133 -29.511 1.00 73.34 C ATOM 2072 CE LYS A 134 19.434 11.549 -29.602 1.00 64.24 C ATOM 2073 NZ LYS A 134 19.697 11.953 -31.012 1.00 32.55 N ATOM 0 H LYS A 134 14.594 9.975 -27.964 1.00 15.02 H new ATOM 0 HA LYS A 134 15.425 8.562 -30.196 1.00 52.34 H new ATOM 0 HB2 LYS A 134 16.625 9.528 -27.640 1.00 71.30 H new ATOM 0 HB3 LYS A 134 17.525 8.279 -28.478 1.00 71.30 H new ATOM 0 HG2 LYS A 134 17.035 9.917 -30.574 1.00 51.21 H new ATOM 0 HG3 LYS A 134 16.986 11.103 -29.285 1.00 51.21 H new ATOM 0 HD2 LYS A 134 19.229 9.668 -28.586 1.00 73.34 H new ATOM 0 HD3 LYS A 134 19.282 9.536 -30.333 1.00 73.34 H new ATOM 0 HE2 LYS A 134 18.723 12.242 -29.152 1.00 64.24 H new ATOM 0 HE3 LYS A 134 20.357 11.620 -29.026 1.00 64.24 H new ATOM 0 HZ1 LYS A 134 20.069 12.924 -31.031 1.00 32.55 H new ATOM 0 HZ2 LYS A 134 20.394 11.307 -31.434 1.00 32.55 H new ATOM 0 HZ3 LYS A 134 18.812 11.910 -31.556 1.00 32.55 H new ATOM 2087 N MET A 135 14.881 6.664 -27.597 1.00 13.40 N ATOM 2088 CA MET A 135 14.775 5.281 -27.148 1.00 74.00 C ATOM 2089 C MET A 135 13.578 4.590 -27.794 1.00 13.23 C ATOM 2090 O MET A 135 13.716 3.528 -28.401 1.00 32.34 O ATOM 2091 CB MET A 135 14.650 5.225 -25.624 1.00 72.02 C ATOM 2092 CG MET A 135 14.718 3.815 -25.060 1.00 44.13 C ATOM 2093 SD MET A 135 15.197 3.785 -23.322 1.00 75.20 S ATOM 2094 CE MET A 135 13.695 3.164 -22.569 1.00 30.34 C ATOM 0 H MET A 135 14.498 7.349 -26.946 1.00 13.40 H new ATOM 0 HA MET A 135 15.681 4.757 -27.450 1.00 74.00 H new ATOM 0 HB2 MET A 135 15.445 5.824 -25.180 1.00 72.02 H new ATOM 0 HB3 MET A 135 13.705 5.681 -25.328 1.00 72.02 H new ATOM 0 HG2 MET A 135 13.746 3.335 -25.173 1.00 44.13 H new ATOM 0 HG3 MET A 135 15.432 3.230 -25.640 1.00 44.13 H new ATOM 0 HE1 MET A 135 13.833 3.089 -21.490 1.00 30.34 H new ATOM 0 HE2 MET A 135 12.872 3.846 -22.783 1.00 30.34 H new ATOM 0 HE3 MET A 135 13.465 2.179 -22.975 1.00 30.34 H new ATOM 2104 N ILE A 136 12.405 5.200 -27.659 1.00 32.45 N ATOM 2105 CA ILE A 136 11.185 4.643 -28.230 1.00 32.33 C ATOM 2106 C ILE A 136 11.339 4.402 -29.728 1.00 1.24 C ATOM 2107 O ILE A 136 11.192 3.277 -30.204 1.00 75.04 O ATOM 2108 CB ILE A 136 9.978 5.569 -27.992 1.00 12.24 C ATOM 2109 CG1 ILE A 136 9.783 5.815 -26.494 1.00 23.21 C ATOM 2110 CG2 ILE A 136 8.721 4.969 -28.603 1.00 73.01 C ATOM 2111 CD1 ILE A 136 8.875 6.984 -26.186 1.00 53.54 C ATOM 0 H ILE A 136 12.274 6.080 -27.159 1.00 32.45 H new ATOM 0 HA ILE A 136 11.007 3.692 -27.728 1.00 32.33 H new ATOM 0 HB ILE A 136 10.173 6.526 -28.476 1.00 12.24 H new ATOM 0 HG12 ILE A 136 9.371 4.915 -26.037 1.00 23.21 H new ATOM 0 HG13 ILE A 136 10.755 5.990 -26.033 1.00 23.21 H new ATOM 0 HG21 ILE A 136 7.877 5.635 -28.426 1.00 73.01 H new ATOM 0 HG22 ILE A 136 8.864 4.841 -29.676 1.00 73.01 H new ATOM 0 HG23 ILE A 136 8.521 4.000 -28.145 1.00 73.01 H new ATOM 0 HD11 ILE A 136 8.783 7.099 -25.106 1.00 53.54 H new ATOM 0 HD12 ILE A 136 9.296 7.894 -26.613 1.00 53.54 H new ATOM 0 HD13 ILE A 136 7.890 6.803 -26.617 1.00 53.54 H new ATOM 2123 N SER A 137 11.639 5.467 -30.465 1.00 33.04 N ATOM 2124 CA SER A 137 11.812 5.372 -31.909 1.00 55.45 C ATOM 2125 C SER A 137 13.153 4.733 -32.255 1.00 50.35 C ATOM 2126 O SER A 137 14.069 5.406 -32.728 1.00 74.04 O ATOM 2127 CB SER A 137 11.715 6.759 -32.548 1.00 13.42 C ATOM 2128 OG SER A 137 10.424 7.315 -32.367 1.00 11.24 O ATOM 0 H SER A 137 11.767 6.405 -30.086 1.00 33.04 H new ATOM 0 HA SER A 137 11.016 4.741 -32.304 1.00 55.45 H new ATOM 0 HB2 SER A 137 12.463 7.418 -32.108 1.00 13.42 H new ATOM 0 HB3 SER A 137 11.938 6.689 -33.613 1.00 13.42 H new ATOM 0 HG SER A 137 10.388 8.202 -32.783 1.00 11.24 H new ATOM 2228 N ALA A 170 24.867 22.325 -0.956 1.00 70.02 N ATOM 2229 CA ALA A 170 23.803 23.032 -1.658 1.00 43.42 C ATOM 2230 C ALA A 170 22.527 23.073 -0.824 1.00 5.12 C ATOM 2231 O ALA A 170 21.971 24.143 -0.572 1.00 61.41 O ATOM 2232 CB ALA A 170 23.534 22.379 -3.006 1.00 24.35 C ATOM 0 HA ALA A 170 24.131 24.058 -1.823 1.00 43.42 H new ATOM 0 HB1 ALA A 170 22.737 22.918 -3.519 1.00 24.35 H new ATOM 0 HB2 ALA A 170 24.440 22.408 -3.612 1.00 24.35 H new ATOM 0 HB3 ALA A 170 23.232 21.343 -2.854 1.00 24.35 H new ATOM 2238 N THR A 171 22.067 21.901 -0.397 1.00 41.11 N ATOM 2239 CA THR A 171 20.856 21.803 0.407 1.00 32.23 C ATOM 2240 C THR A 171 20.934 22.707 1.632 1.00 41.11 C ATOM 2241 O THR A 171 19.912 23.169 2.140 1.00 25.05 O ATOM 2242 CB THR A 171 20.603 20.355 0.868 1.00 62.22 C ATOM 2243 OG1 THR A 171 19.429 20.298 1.685 1.00 54.33 O ATOM 2244 CG2 THR A 171 21.795 19.819 1.647 1.00 60.03 C ATOM 0 H THR A 171 22.515 21.006 -0.595 1.00 41.11 H new ATOM 0 HA THR A 171 20.030 22.125 -0.227 1.00 32.23 H new ATOM 0 HB THR A 171 20.459 19.736 -0.017 1.00 62.22 H new ATOM 0 HG1 THR A 171 19.275 19.374 1.972 1.00 54.33 H new ATOM 0 HG21 THR A 171 21.593 18.795 1.962 1.00 60.03 H new ATOM 0 HG22 THR A 171 22.681 19.835 1.013 1.00 60.03 H new ATOM 0 HG23 THR A 171 21.966 20.442 2.525 1.00 60.03 H new ATOM 2252 N ARG A 172 22.152 22.957 2.101 1.00 64.35 N ATOM 2253 CA ARG A 172 22.363 23.806 3.267 1.00 44.15 C ATOM 2254 C ARG A 172 21.881 25.229 2.997 1.00 21.54 C ATOM 2255 O ARG A 172 21.123 25.796 3.784 1.00 65.13 O ATOM 2256 CB ARG A 172 23.844 23.822 3.651 1.00 11.41 C ATOM 2257 CG ARG A 172 24.083 23.926 5.148 1.00 2.25 C ATOM 2258 CD ARG A 172 25.524 24.301 5.458 1.00 63.53 C ATOM 2259 NE ARG A 172 26.011 23.648 6.670 1.00 22.11 N ATOM 2260 CZ ARG A 172 27.296 23.576 7.001 1.00 53.31 C ATOM 2261 NH1 ARG A 172 28.217 24.115 6.214 1.00 23.53 N ATOM 2262 NH2 ARG A 172 27.661 22.966 8.121 1.00 35.40 N ATOM 0 H ARG A 172 23.008 22.583 1.691 1.00 64.35 H new ATOM 0 HA ARG A 172 21.784 23.395 4.094 1.00 44.15 H new ATOM 0 HB2 ARG A 172 24.317 22.914 3.278 1.00 11.41 H new ATOM 0 HB3 ARG A 172 24.330 24.662 3.155 1.00 11.41 H new ATOM 0 HG2 ARG A 172 23.412 24.672 5.574 1.00 2.25 H new ATOM 0 HG3 ARG A 172 23.843 22.974 5.623 1.00 2.25 H new ATOM 0 HD2 ARG A 172 26.160 24.024 4.617 1.00 63.53 H new ATOM 0 HD3 ARG A 172 25.600 25.382 5.573 1.00 63.53 H new ATOM 0 HE ARG A 172 25.327 23.224 7.297 1.00 22.11 H new ATOM 0 HH11 ARG A 172 27.940 24.586 5.353 1.00 23.53 H new ATOM 0 HH12 ARG A 172 29.203 24.059 6.470 1.00 23.53 H new ATOM 0 HH21 ARG A 172 26.955 22.551 8.729 1.00 35.40 H new ATOM 0 HH22 ARG A 172 28.648 22.911 8.374 1.00 35.40 H new ATOM 2276 N GLU A 173 22.326 25.798 1.882 1.00 63.24 N ATOM 2277 CA GLU A 173 21.941 27.154 1.511 1.00 53.25 C ATOM 2278 C GLU A 173 20.425 27.271 1.373 1.00 64.45 C ATOM 2279 O GLU A 173 19.825 28.257 1.803 1.00 63.44 O ATOM 2280 CB GLU A 173 22.616 27.559 0.198 1.00 11.25 C ATOM 2281 CG GLU A 173 24.000 28.157 0.386 1.00 41.24 C ATOM 2282 CD GLU A 173 24.548 28.769 -0.889 1.00 3.52 C ATOM 2283 OE1 GLU A 173 24.581 28.066 -1.920 1.00 31.44 O ATOM 2284 OE2 GLU A 173 24.944 29.953 -0.855 1.00 5.43 O ATOM 0 H GLU A 173 22.953 25.341 1.220 1.00 63.24 H new ATOM 0 HA GLU A 173 22.270 27.827 2.303 1.00 53.25 H new ATOM 0 HB2 GLU A 173 22.692 26.684 -0.447 1.00 11.25 H new ATOM 0 HB3 GLU A 173 21.984 28.282 -0.318 1.00 11.25 H new ATOM 0 HG2 GLU A 173 23.960 28.920 1.163 1.00 41.24 H new ATOM 0 HG3 GLU A 173 24.682 27.382 0.735 1.00 41.24 H new ATOM 2291 N LEU A 174 19.813 26.258 0.770 1.00 71.25 N ATOM 2292 CA LEU A 174 18.367 26.245 0.574 1.00 43.34 C ATOM 2293 C LEU A 174 17.636 26.400 1.903 1.00 2.12 C ATOM 2294 O LEU A 174 16.734 27.228 2.034 1.00 22.34 O ATOM 2295 CB LEU A 174 17.937 24.946 -0.110 1.00 52.30 C ATOM 2296 CG LEU A 174 18.504 24.704 -1.509 1.00 50.22 C ATOM 2297 CD1 LEU A 174 18.375 23.238 -1.891 1.00 62.20 C ATOM 2298 CD2 LEU A 174 17.801 25.587 -2.530 1.00 35.21 C ATOM 0 H LEU A 174 20.295 25.435 0.408 1.00 71.25 H new ATOM 0 HA LEU A 174 18.104 27.089 -0.064 1.00 43.34 H new ATOM 0 HB2 LEU A 174 18.227 24.110 0.527 1.00 52.30 H new ATOM 0 HB3 LEU A 174 16.849 24.936 -0.174 1.00 52.30 H new ATOM 0 HG LEU A 174 19.562 24.964 -1.501 1.00 50.22 H new ATOM 0 HD11 LEU A 174 18.784 23.085 -2.890 1.00 62.20 H new ATOM 0 HD12 LEU A 174 18.925 22.626 -1.176 1.00 62.20 H new ATOM 0 HD13 LEU A 174 17.324 22.951 -1.881 1.00 62.20 H new ATOM 0 HD21 LEU A 174 18.218 25.401 -3.520 1.00 35.21 H new ATOM 0 HD22 LEU A 174 16.735 25.359 -2.536 1.00 35.21 H new ATOM 0 HD23 LEU A 174 17.946 26.635 -2.266 1.00 35.21 H new ATOM 2310 N ASP A 175 18.033 25.600 2.887 1.00 54.21 N ATOM 2311 CA ASP A 175 17.417 25.650 4.208 1.00 4.32 C ATOM 2312 C ASP A 175 17.796 26.937 4.936 1.00 63.44 C ATOM 2313 O ASP A 175 16.950 27.585 5.550 1.00 41.45 O ATOM 2314 CB ASP A 175 17.841 24.437 5.038 1.00 54.03 C ATOM 2315 CG ASP A 175 17.539 24.611 6.513 1.00 30.22 C ATOM 2316 OD1 ASP A 175 16.347 24.572 6.884 1.00 11.41 O ATOM 2317 OD2 ASP A 175 18.495 24.784 7.297 1.00 1.33 O ATOM 0 H ASP A 175 18.778 24.910 2.795 1.00 54.21 H new ATOM 0 HA ASP A 175 16.335 25.632 4.078 1.00 4.32 H new ATOM 0 HB2 ASP A 175 17.328 23.550 4.667 1.00 54.03 H new ATOM 0 HB3 ASP A 175 18.909 24.266 4.907 1.00 54.03 H new ATOM 2322 N GLU A 176 19.074 27.298 4.862 1.00 34.32 N ATOM 2323 CA GLU A 176 19.564 28.506 5.516 1.00 70.53 C ATOM 2324 C GLU A 176 18.806 29.736 5.025 1.00 33.43 C ATOM 2325 O GLU A 176 18.184 30.451 5.812 1.00 20.55 O ATOM 2326 CB GLU A 176 21.062 28.680 5.257 1.00 20.41 C ATOM 2327 CG GLU A 176 21.779 29.470 6.339 1.00 33.53 C ATOM 2328 CD GLU A 176 23.288 29.413 6.200 1.00 14.14 C ATOM 2329 OE1 GLU A 176 23.798 29.789 5.124 1.00 1.34 O ATOM 2330 OE2 GLU A 176 23.958 28.993 7.167 1.00 73.24 O ATOM 0 H GLU A 176 19.787 26.772 4.357 1.00 34.32 H new ATOM 0 HA GLU A 176 19.397 28.402 6.588 1.00 70.53 H new ATOM 0 HB2 GLU A 176 21.524 27.696 5.171 1.00 20.41 H new ATOM 0 HB3 GLU A 176 21.201 29.182 4.300 1.00 20.41 H new ATOM 0 HG2 GLU A 176 21.453 30.510 6.301 1.00 33.53 H new ATOM 0 HG3 GLU A 176 21.493 29.082 7.317 1.00 33.53 H new ATOM 2337 N LEU A 177 18.862 29.976 3.720 1.00 1.41 N ATOM 2338 CA LEU A 177 18.181 31.120 3.123 1.00 4.31 C ATOM 2339 C LEU A 177 16.696 31.113 3.472 1.00 45.14 C ATOM 2340 O LEU A 177 16.092 32.165 3.675 1.00 13.32 O ATOM 2341 CB LEU A 177 18.361 31.109 1.604 1.00 55.40 C ATOM 2342 CG LEU A 177 19.601 31.826 1.069 1.00 13.31 C ATOM 2343 CD1 LEU A 177 19.526 33.316 1.367 1.00 60.14 C ATOM 2344 CD2 LEU A 177 20.864 31.224 1.666 1.00 21.05 C ATOM 0 H LEU A 177 19.372 29.394 3.055 1.00 1.41 H new ATOM 0 HA LEU A 177 18.625 32.029 3.529 1.00 4.31 H new ATOM 0 HB2 LEU A 177 18.393 30.072 1.270 1.00 55.40 H new ATOM 0 HB3 LEU A 177 17.480 31.563 1.151 1.00 55.40 H new ATOM 0 HG LEU A 177 19.636 31.694 -0.012 1.00 13.31 H new ATOM 0 HD11 LEU A 177 20.417 33.810 0.979 1.00 60.14 H new ATOM 0 HD12 LEU A 177 18.641 33.738 0.891 1.00 60.14 H new ATOM 0 HD13 LEU A 177 19.467 33.469 2.445 1.00 60.14 H new ATOM 0 HD21 LEU A 177 21.737 31.747 1.274 1.00 21.05 H new ATOM 0 HD22 LEU A 177 20.838 31.325 2.751 1.00 21.05 H new ATOM 0 HD23 LEU A 177 20.924 30.168 1.401 1.00 21.05 H new ATOM 2356 N MET A 178 16.116 29.920 3.540 1.00 31.44 N ATOM 2357 CA MET A 178 14.702 29.776 3.868 1.00 62.40 C ATOM 2358 C MET A 178 14.376 30.472 5.185 1.00 13.12 C ATOM 2359 O MET A 178 13.398 31.213 5.280 1.00 11.24 O ATOM 2360 CB MET A 178 14.325 28.296 3.953 1.00 75.51 C ATOM 2361 CG MET A 178 13.379 27.845 2.851 1.00 44.32 C ATOM 2362 SD MET A 178 11.652 27.864 3.367 1.00 72.33 S ATOM 2363 CE MET A 178 10.918 26.795 2.131 1.00 61.30 C ATOM 0 H MET A 178 16.602 29.039 3.373 1.00 31.44 H new ATOM 0 HA MET A 178 14.121 30.247 3.075 1.00 62.40 H new ATOM 0 HB2 MET A 178 15.233 27.695 3.909 1.00 75.51 H new ATOM 0 HB3 MET A 178 13.861 28.103 4.920 1.00 75.51 H new ATOM 0 HG2 MET A 178 13.502 28.494 1.984 1.00 44.32 H new ATOM 0 HG3 MET A 178 13.649 26.837 2.536 1.00 44.32 H new ATOM 0 HE1 MET A 178 9.847 26.707 2.316 1.00 61.30 H new ATOM 0 HE2 MET A 178 11.082 27.219 1.140 1.00 61.30 H new ATOM 0 HE3 MET A 178 11.378 25.808 2.184 1.00 61.30 H new ATOM 2373 N ALA A 179 15.201 30.229 6.198 1.00 35.35 N ATOM 2374 CA ALA A 179 15.000 30.834 7.509 1.00 11.02 C ATOM 2375 C ALA A 179 15.234 32.340 7.460 1.00 2.00 C ATOM 2376 O ALA A 179 14.635 33.096 8.224 1.00 12.31 O ATOM 2377 CB ALA A 179 15.919 30.188 8.535 1.00 3.11 C ATOM 0 H ALA A 179 16.015 29.617 6.136 1.00 35.35 H new ATOM 0 HA ALA A 179 13.965 30.663 7.806 1.00 11.02 H new ATOM 0 HB1 ALA A 179 15.758 30.650 9.509 1.00 3.11 H new ATOM 0 HB2 ALA A 179 15.701 29.122 8.598 1.00 3.11 H new ATOM 0 HB3 ALA A 179 16.957 30.329 8.234 1.00 3.11 H new ATOM 2383 N SER A 180 16.110 32.769 6.557 1.00 23.20 N ATOM 2384 CA SER A 180 16.427 34.185 6.412 1.00 62.34 C ATOM 2385 C SER A 180 15.173 34.992 6.090 1.00 61.21 C ATOM 2386 O SER A 180 14.957 36.072 6.641 1.00 22.02 O ATOM 2387 CB SER A 180 17.472 34.385 5.312 1.00 22.13 C ATOM 2388 OG SER A 180 18.179 35.599 5.496 1.00 44.00 O ATOM 0 H SER A 180 16.613 32.156 5.915 1.00 23.20 H new ATOM 0 HA SER A 180 16.834 34.540 7.359 1.00 62.34 H new ATOM 0 HB2 SER A 180 18.172 33.549 5.314 1.00 22.13 H new ATOM 0 HB3 SER A 180 16.983 34.389 4.338 1.00 22.13 H new ATOM 0 HG SER A 180 18.842 35.703 4.782 1.00 44.00 H new ATOM 2394 N LEU A 181 14.349 34.460 5.194 1.00 50.22 N ATOM 2395 CA LEU A 181 13.115 35.130 4.797 1.00 21.21 C ATOM 2396 C LEU A 181 11.968 34.754 5.729 1.00 13.24 C ATOM 2397 O LEU A 181 11.022 35.522 5.907 1.00 4.33 O ATOM 2398 CB LEU A 181 12.755 34.767 3.355 1.00 25.33 C ATOM 2399 CG LEU A 181 13.855 34.981 2.315 1.00 64.11 C ATOM 2400 CD1 LEU A 181 14.217 33.666 1.642 1.00 60.01 C ATOM 2401 CD2 LEU A 181 13.419 36.009 1.281 1.00 31.22 C ATOM 0 H LEU A 181 14.513 33.567 4.729 1.00 50.22 H new ATOM 0 HA LEU A 181 13.277 36.206 4.865 1.00 21.21 H new ATOM 0 HB2 LEU A 181 12.457 33.719 3.329 1.00 25.33 H new ATOM 0 HB3 LEU A 181 11.885 35.353 3.060 1.00 25.33 H new ATOM 0 HG LEU A 181 14.741 35.361 2.824 1.00 64.11 H new ATOM 0 HD11 LEU A 181 15.001 33.838 0.905 1.00 60.01 H new ATOM 0 HD12 LEU A 181 14.572 32.959 2.392 1.00 60.01 H new ATOM 0 HD13 LEU A 181 13.337 33.257 1.146 1.00 60.01 H new ATOM 0 HD21 LEU A 181 14.214 36.149 0.549 1.00 31.22 H new ATOM 0 HD22 LEU A 181 12.519 35.658 0.776 1.00 31.22 H new ATOM 0 HD23 LEU A 181 13.211 36.958 1.776 1.00 31.22 H new ATOM 2413 N SER A 182 12.059 33.569 6.324 1.00 72.22 N ATOM 2414 CA SER A 182 11.028 33.090 7.237 1.00 14.51 C ATOM 2415 C SER A 182 10.937 33.984 8.470 1.00 1.13 C ATOM 2416 O SER A 182 9.850 34.399 8.872 1.00 74.15 O ATOM 2417 CB SER A 182 11.318 31.649 7.658 1.00 24.32 C ATOM 2418 OG SER A 182 10.190 31.063 8.285 1.00 4.10 O ATOM 0 H SER A 182 12.837 32.923 6.190 1.00 72.22 H new ATOM 0 HA SER A 182 10.072 33.122 6.715 1.00 14.51 H new ATOM 0 HB2 SER A 182 11.598 31.061 6.784 1.00 24.32 H new ATOM 0 HB3 SER A 182 12.168 31.630 8.340 1.00 24.32 H new ATOM 0 HG SER A 182 10.401 30.141 8.543 1.00 4.10 H new ATOM 2424 N ASP A 183 12.087 34.276 9.067 1.00 45.21 N ATOM 2425 CA ASP A 183 12.140 35.121 10.254 1.00 1.42 C ATOM 2426 C ASP A 183 13.423 35.947 10.277 1.00 14.11 C ATOM 2427 O ASP A 183 13.719 36.678 9.331 1.00 13.51 O ATOM 2428 CB ASP A 183 12.046 34.267 11.519 1.00 22.12 C ATOM 2429 CG ASP A 183 10.871 33.310 11.486 1.00 54.33 C ATOM 2430 OD1 ASP A 183 9.717 33.786 11.539 1.00 24.04 O ATOM 2431 OD2 ASP A 183 11.104 32.086 11.407 1.00 73.32 O ATOM 0 H ASP A 183 12.996 33.940 8.748 1.00 45.21 H new ATOM 0 HA ASP A 183 11.291 35.803 10.222 1.00 1.42 H new ATOM 0 HB2 ASP A 183 12.969 33.700 11.640 1.00 22.12 H new ATOM 0 HB3 ASP A 183 11.956 34.919 12.388 1.00 22.12 H new