USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 897 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 62 SER OG : rot 154:sc= -1.7! USER MOD Set 1.2: A 88 ASN : amide:sc= -5.77! C(o=-7.5!,f=-7.4!) USER MOD Set 2.1: A 71 THR OG1 : rot 127:sc= 1.17 USER MOD Set 2.2: A 77 THR OG1 : rot -171:sc= 1 USER MOD Set 3.1: A 65 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 85 ASN :FLIP amide:sc= -0.606 F(o=-5.3!,f=-0.61) USER MOD Set 4.1: A 26 TYR OH : rot 169:sc= 0.409 USER MOD Set 4.2: A 118 THR OG1 : rot -20:sc= 0.836 USER MOD Single : A 10 GLN : amide:sc= -0.0938 X(o=-0.094,f=-0.094) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -1.86 K(o=-1.9,f=-4.8!) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.518 K(o=0.52,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 152:sc= -1.11 (180deg=-1.45) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 79:sc= 0.632 USER MOD Single : A 45 GLN : amide:sc= -0.0111 K(o=-0.011,f=-0.74) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -71:sc= 0.848 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -9:sc= 0.616! USER MOD Single : A 67 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-2.4!) USER MOD Single : A 70 MET CE :methyl -134:sc= -5.17! (180deg=-10!) USER MOD Single : A 73 MET CE :methyl -117:sc= -2.48 (180deg=-6.7!) USER MOD Single : A 74 TYR OH : rot -142:sc= -2.15! USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.294 X(o=-0.29,f=0) USER MOD Single : A 90 MET CE :methyl -176:sc= 0 (180deg=-0.0182) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -9.04! C(o=-9!,f=-13!) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 96 MET CE :methyl 169:sc= -2.65! (180deg=-3.12!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 154:sc= 0.00215 (180deg=0) USER MOD Single : A 105 HIS : no HE2:sc= -2.23! C(o=-2.2!,f=-5!) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot -30:sc= 0.424 USER MOD Single : A 108 SER OG : rot 120:sc= -0.814 USER MOD Single : A 111 GLN : amide:sc= -0.049 X(o=-0.049,f=-0.48) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot -86:sc= 1.13 USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N LEU A 8 -3.145 9.610 4.141 1.00 75.04 N ATOM 110 CA LEU A 8 -4.346 9.241 4.883 1.00 2.32 C ATOM 111 C LEU A 8 -5.100 10.482 5.350 1.00 1.21 C ATOM 112 O LEU A 8 -6.308 10.436 5.581 1.00 54.45 O ATOM 113 CB LEU A 8 -3.978 8.371 6.086 1.00 2.35 C ATOM 114 CG LEU A 8 -3.404 6.991 5.766 1.00 23.20 C ATOM 115 CD1 LEU A 8 -3.237 6.174 7.038 1.00 63.22 C ATOM 116 CD2 LEU A 8 -4.296 6.260 4.773 1.00 23.54 C ATOM 0 HA LEU A 8 -4.995 8.673 4.217 1.00 2.32 H new ATOM 0 HB2 LEU A 8 -3.252 8.913 6.692 1.00 2.35 H new ATOM 0 HB3 LEU A 8 -4.869 8.238 6.699 1.00 2.35 H new ATOM 0 HG LEU A 8 -2.422 7.123 5.313 1.00 23.20 H new ATOM 0 HD11 LEU A 8 -2.827 5.195 6.790 1.00 63.22 H new ATOM 0 HD12 LEU A 8 -2.558 6.691 7.716 1.00 63.22 H new ATOM 0 HD13 LEU A 8 -4.206 6.050 7.521 1.00 63.22 H new ATOM 0 HD21 LEU A 8 -3.872 5.279 4.557 1.00 23.54 H new ATOM 0 HD22 LEU A 8 -5.292 6.139 5.199 1.00 23.54 H new ATOM 0 HD23 LEU A 8 -4.364 6.838 3.851 1.00 23.54 H new ATOM 128 N ASP A 9 -4.379 11.590 5.486 1.00 72.14 N ATOM 129 CA ASP A 9 -4.981 12.845 5.922 1.00 64.24 C ATOM 130 C ASP A 9 -6.167 13.215 5.037 1.00 41.20 C ATOM 131 O ASP A 9 -7.126 13.834 5.497 1.00 72.21 O ATOM 132 CB ASP A 9 -3.942 13.967 5.900 1.00 51.42 C ATOM 133 CG ASP A 9 -4.300 15.105 6.836 1.00 44.21 C ATOM 134 OD1 ASP A 9 -4.973 14.845 7.855 1.00 41.33 O ATOM 135 OD2 ASP A 9 -3.907 16.256 6.549 1.00 22.41 O ATOM 0 H ASP A 9 -3.377 11.645 5.301 1.00 72.14 H new ATOM 0 HA ASP A 9 -5.340 12.713 6.943 1.00 64.24 H new ATOM 0 HB2 ASP A 9 -2.969 13.563 6.179 1.00 51.42 H new ATOM 0 HB3 ASP A 9 -3.848 14.351 4.884 1.00 51.42 H new ATOM 140 N GLN A 10 -6.093 12.833 3.766 1.00 2.41 N ATOM 141 CA GLN A 10 -7.160 13.127 2.817 1.00 11.41 C ATOM 142 C GLN A 10 -8.432 12.366 3.175 1.00 11.04 C ATOM 143 O GLN A 10 -9.536 12.904 3.084 1.00 21.30 O ATOM 144 CB GLN A 10 -6.721 12.770 1.396 1.00 23.12 C ATOM 145 CG GLN A 10 -5.466 13.500 0.945 1.00 10.35 C ATOM 146 CD GLN A 10 -5.624 15.008 0.980 1.00 30.30 C ATOM 147 OE1 GLN A 10 -6.522 15.564 0.347 1.00 20.02 O ATOM 148 NE2 GLN A 10 -4.750 15.678 1.722 1.00 60.13 N ATOM 0 H GLN A 10 -5.306 12.320 3.370 1.00 2.41 H new ATOM 0 HA GLN A 10 -7.371 14.195 2.867 1.00 11.41 H new ATOM 0 HB2 GLN A 10 -6.547 11.696 1.338 1.00 23.12 H new ATOM 0 HB3 GLN A 10 -7.533 12.999 0.706 1.00 23.12 H new ATOM 0 HG2 GLN A 10 -4.632 13.211 1.585 1.00 10.35 H new ATOM 0 HG3 GLN A 10 -5.213 13.188 -0.068 1.00 10.35 H new ATOM 0 HE21 GLN A 10 -4.022 15.176 2.230 1.00 60.13 H new ATOM 0 HE22 GLN A 10 -4.807 16.695 1.784 1.00 60.13 H new ATOM 157 N TYR A 11 -8.270 11.112 3.583 1.00 40.22 N ATOM 158 CA TYR A 11 -9.406 10.276 3.952 1.00 23.32 C ATOM 159 C TYR A 11 -10.238 10.939 5.045 1.00 30.14 C ATOM 160 O TYR A 11 -11.421 10.640 5.208 1.00 55.53 O ATOM 161 CB TYR A 11 -8.923 8.904 4.425 1.00 22.51 C ATOM 162 CG TYR A 11 -8.453 8.007 3.302 1.00 73.30 C ATOM 163 CD1 TYR A 11 -9.239 7.804 2.174 1.00 40.31 C ATOM 164 CD2 TYR A 11 -7.225 7.361 3.369 1.00 1.11 C ATOM 165 CE1 TYR A 11 -8.815 6.985 1.145 1.00 5.34 C ATOM 166 CE2 TYR A 11 -6.792 6.542 2.345 1.00 62.41 C ATOM 167 CZ TYR A 11 -7.590 6.357 1.235 1.00 31.44 C ATOM 168 OH TYR A 11 -7.163 5.540 0.214 1.00 61.14 O ATOM 0 H TYR A 11 -7.363 10.652 3.666 1.00 40.22 H new ATOM 0 HA TYR A 11 -10.033 10.149 3.070 1.00 23.32 H new ATOM 0 HB2 TYR A 11 -8.108 9.040 5.135 1.00 22.51 H new ATOM 0 HB3 TYR A 11 -9.733 8.408 4.960 1.00 22.51 H new ATOM 0 HD1 TYR A 11 -10.198 8.295 2.100 1.00 40.31 H new ATOM 0 HD2 TYR A 11 -6.598 7.502 4.237 1.00 1.11 H new ATOM 0 HE1 TYR A 11 -9.439 6.837 0.276 1.00 5.34 H new ATOM 0 HE2 TYR A 11 -5.834 6.049 2.413 1.00 62.41 H new ATOM 0 HH TYR A 11 -6.280 5.176 0.434 1.00 61.14 H new ATOM 178 N TYR A 12 -9.611 11.841 5.792 1.00 23.42 N ATOM 179 CA TYR A 12 -10.291 12.546 6.872 1.00 52.04 C ATOM 180 C TYR A 12 -11.513 13.294 6.348 1.00 15.11 C ATOM 181 O TYR A 12 -12.538 13.379 7.024 1.00 53.33 O ATOM 182 CB TYR A 12 -9.333 13.525 7.553 1.00 75.01 C ATOM 183 CG TYR A 12 -9.490 13.578 9.056 1.00 50.42 C ATOM 184 CD1 TYR A 12 -9.595 12.413 9.805 1.00 10.31 C ATOM 185 CD2 TYR A 12 -9.532 14.795 9.727 1.00 60.35 C ATOM 186 CE1 TYR A 12 -9.739 12.458 11.178 1.00 20.43 C ATOM 187 CE2 TYR A 12 -9.674 14.849 11.100 1.00 72.43 C ATOM 188 CZ TYR A 12 -9.778 13.677 11.821 1.00 42.51 C ATOM 189 OH TYR A 12 -9.920 13.726 13.189 1.00 64.22 O ATOM 0 H TYR A 12 -8.632 12.101 5.669 1.00 23.42 H new ATOM 0 HA TYR A 12 -10.624 11.808 7.601 1.00 52.04 H new ATOM 0 HB2 TYR A 12 -8.308 13.244 7.313 1.00 75.01 H new ATOM 0 HB3 TYR A 12 -9.494 14.522 7.144 1.00 75.01 H new ATOM 0 HD1 TYR A 12 -9.564 11.456 9.305 1.00 10.31 H new ATOM 0 HD2 TYR A 12 -9.452 15.714 9.165 1.00 60.35 H new ATOM 0 HE1 TYR A 12 -9.821 11.543 11.745 1.00 20.43 H new ATOM 0 HE2 TYR A 12 -9.703 15.803 11.606 1.00 72.43 H new ATOM 0 HH TYR A 12 -9.928 14.661 13.484 1.00 64.22 H new ATOM 199 N GLU A 13 -11.396 13.834 5.139 1.00 62.21 N ATOM 200 CA GLU A 13 -12.491 14.575 4.524 1.00 22.10 C ATOM 201 C GLU A 13 -13.711 13.679 4.327 1.00 45.54 C ATOM 202 O GLU A 13 -14.845 14.100 4.554 1.00 34.10 O ATOM 203 CB GLU A 13 -12.050 15.158 3.180 1.00 42.30 C ATOM 204 CG GLU A 13 -12.170 14.180 2.023 1.00 2.42 C ATOM 205 CD GLU A 13 -12.048 14.857 0.672 1.00 44.41 C ATOM 206 OE1 GLU A 13 -10.915 15.222 0.292 1.00 51.00 O ATOM 207 OE2 GLU A 13 -13.084 15.023 -0.005 1.00 64.03 O ATOM 0 H GLU A 13 -10.554 13.772 4.566 1.00 62.21 H new ATOM 0 HA GLU A 13 -12.765 15.391 5.193 1.00 22.10 H new ATOM 0 HB2 GLU A 13 -12.651 16.041 2.962 1.00 42.30 H new ATOM 0 HB3 GLU A 13 -11.014 15.489 3.259 1.00 42.30 H new ATOM 0 HG2 GLU A 13 -11.396 13.418 2.115 1.00 2.42 H new ATOM 0 HG3 GLU A 13 -13.130 13.668 2.083 1.00 2.42 H new ATOM 214 N ILE A 14 -13.468 12.444 3.902 1.00 43.23 N ATOM 215 CA ILE A 14 -14.545 11.489 3.674 1.00 13.51 C ATOM 216 C ILE A 14 -15.204 11.080 4.987 1.00 2.52 C ATOM 217 O ILE A 14 -16.429 11.018 5.085 1.00 60.13 O ATOM 218 CB ILE A 14 -14.036 10.227 2.953 1.00 13.31 C ATOM 219 CG1 ILE A 14 -13.482 10.590 1.574 1.00 44.00 C ATOM 220 CG2 ILE A 14 -15.153 9.202 2.828 1.00 54.12 C ATOM 221 CD1 ILE A 14 -11.971 10.663 1.530 1.00 33.23 C ATOM 0 H ILE A 14 -12.535 12.081 3.709 1.00 43.23 H new ATOM 0 HA ILE A 14 -15.279 11.987 3.041 1.00 13.51 H new ATOM 0 HB ILE A 14 -13.231 9.788 3.543 1.00 13.31 H new ATOM 0 HG12 ILE A 14 -13.823 9.852 0.848 1.00 44.00 H new ATOM 0 HG13 ILE A 14 -13.893 11.552 1.268 1.00 44.00 H new ATOM 0 HG21 ILE A 14 -14.778 8.316 2.316 1.00 54.12 H new ATOM 0 HG22 ILE A 14 -15.506 8.925 3.822 1.00 54.12 H new ATOM 0 HG23 ILE A 14 -15.977 9.629 2.256 1.00 54.12 H new ATOM 0 HD11 ILE A 14 -11.649 10.925 0.522 1.00 33.23 H new ATOM 0 HD12 ILE A 14 -11.623 11.422 2.231 1.00 33.23 H new ATOM 0 HD13 ILE A 14 -11.552 9.695 1.805 1.00 33.23 H new ATOM 233 N GLN A 15 -14.382 10.805 5.994 1.00 23.25 N ATOM 234 CA GLN A 15 -14.885 10.403 7.303 1.00 60.03 C ATOM 235 C GLN A 15 -15.652 11.543 7.965 1.00 40.05 C ATOM 236 O GLN A 15 -16.753 11.346 8.480 1.00 52.31 O ATOM 237 CB GLN A 15 -13.730 9.959 8.203 1.00 53.35 C ATOM 238 CG GLN A 15 -13.036 8.695 7.723 1.00 73.23 C ATOM 239 CD GLN A 15 -11.525 8.806 7.767 1.00 71.20 C ATOM 240 OE1 GLN A 15 -10.977 9.754 8.330 1.00 21.32 O ATOM 241 NE2 GLN A 15 -10.842 7.835 7.172 1.00 72.14 N ATOM 0 H GLN A 15 -13.365 10.853 5.929 1.00 23.25 H new ATOM 0 HA GLN A 15 -15.567 9.565 7.160 1.00 60.03 H new ATOM 0 HB2 GLN A 15 -12.998 10.764 8.265 1.00 53.35 H new ATOM 0 HB3 GLN A 15 -14.109 9.795 9.212 1.00 53.35 H new ATOM 0 HG2 GLN A 15 -13.353 7.854 8.340 1.00 73.23 H new ATOM 0 HG3 GLN A 15 -13.351 8.477 6.702 1.00 73.23 H new ATOM 0 HE21 GLN A 15 -11.337 7.068 6.717 1.00 72.14 H new ATOM 0 HE22 GLN A 15 -9.822 7.856 7.170 1.00 72.14 H new ATOM 250 N CYS A 16 -15.063 12.734 7.947 1.00 34.31 N ATOM 251 CA CYS A 16 -15.691 13.906 8.547 1.00 72.20 C ATOM 252 C CYS A 16 -17.018 14.221 7.864 1.00 10.22 C ATOM 253 O CYS A 16 -17.997 14.573 8.521 1.00 71.41 O ATOM 254 CB CYS A 16 -14.757 15.113 8.456 1.00 51.23 C ATOM 255 SG CYS A 16 -15.003 16.337 9.763 1.00 10.35 S ATOM 0 H CYS A 16 -14.152 12.913 7.524 1.00 34.31 H new ATOM 0 HA CYS A 16 -15.887 13.686 9.596 1.00 72.20 H new ATOM 0 HB2 CYS A 16 -13.725 14.764 8.490 1.00 51.23 H new ATOM 0 HB3 CYS A 16 -14.898 15.596 7.489 1.00 51.23 H new ATOM 0 HG CYS A 16 -14.166 17.318 9.602 1.00 10.35 H new ATOM 261 N ASN A 17 -17.042 14.094 6.541 1.00 3.54 N ATOM 262 CA ASN A 17 -18.248 14.368 5.769 1.00 40.32 C ATOM 263 C ASN A 17 -19.402 13.484 6.231 1.00 53.21 C ATOM 264 O ASN A 17 -20.560 13.900 6.212 1.00 34.45 O ATOM 265 CB ASN A 17 -17.985 14.146 4.278 1.00 34.40 C ATOM 266 CG ASN A 17 -19.230 13.709 3.531 1.00 75.54 C ATOM 267 OD1 ASN A 17 -20.145 14.502 3.309 1.00 74.22 O ATOM 268 ND2 ASN A 17 -19.270 12.440 3.139 1.00 54.44 N ATOM 0 H ASN A 17 -16.240 13.803 5.982 1.00 3.54 H new ATOM 0 HA ASN A 17 -18.525 15.410 5.931 1.00 40.32 H new ATOM 0 HB2 ASN A 17 -17.605 15.068 3.838 1.00 34.40 H new ATOM 0 HB3 ASN A 17 -17.208 13.391 4.157 1.00 34.40 H new ATOM 0 HD21 ASN A 17 -20.082 12.088 2.632 1.00 54.44 H new ATOM 0 HD22 ASN A 17 -18.488 11.818 3.345 1.00 54.44 H new ATOM 275 N GLU A 18 -19.077 12.264 6.645 1.00 22.33 N ATOM 276 CA GLU A 18 -20.087 11.321 7.112 1.00 41.40 C ATOM 277 C GLU A 18 -20.739 11.816 8.400 1.00 3.11 C ATOM 278 O GLU A 18 -21.946 11.671 8.594 1.00 74.50 O ATOM 279 CB GLU A 18 -19.464 9.943 7.340 1.00 63.43 C ATOM 280 CG GLU A 18 -19.309 9.127 6.067 1.00 34.33 C ATOM 281 CD GLU A 18 -18.599 7.808 6.302 1.00 21.14 C ATOM 282 OE1 GLU A 18 -17.383 7.832 6.586 1.00 42.32 O ATOM 283 OE2 GLU A 18 -19.258 6.752 6.203 1.00 12.21 O ATOM 0 H GLU A 18 -18.123 11.905 6.667 1.00 22.33 H new ATOM 0 HA GLU A 18 -20.856 11.241 6.343 1.00 41.40 H new ATOM 0 HB2 GLU A 18 -18.485 10.068 7.803 1.00 63.43 H new ATOM 0 HB3 GLU A 18 -20.081 9.387 8.045 1.00 63.43 H new ATOM 0 HG2 GLU A 18 -20.294 8.934 5.641 1.00 34.33 H new ATOM 0 HG3 GLU A 18 -18.752 9.709 5.332 1.00 34.33 H new ATOM 290 N LEU A 19 -19.931 12.401 9.278 1.00 71.21 N ATOM 291 CA LEU A 19 -20.428 12.917 10.549 1.00 43.34 C ATOM 292 C LEU A 19 -21.431 14.044 10.324 1.00 42.12 C ATOM 293 O LEU A 19 -22.538 14.017 10.859 1.00 14.10 O ATOM 294 CB LEU A 19 -19.265 13.418 11.407 1.00 30.15 C ATOM 295 CG LEU A 19 -18.551 12.362 12.252 1.00 61.12 C ATOM 296 CD1 LEU A 19 -18.229 11.135 11.412 1.00 10.43 C ATOM 297 CD2 LEU A 19 -17.283 12.938 12.866 1.00 73.12 C ATOM 0 H LEU A 19 -18.930 12.530 9.133 1.00 71.21 H new ATOM 0 HA LEU A 19 -20.934 12.104 11.071 1.00 43.34 H new ATOM 0 HB2 LEU A 19 -18.531 13.887 10.751 1.00 30.15 H new ATOM 0 HB3 LEU A 19 -19.640 14.195 12.073 1.00 30.15 H new ATOM 0 HG LEU A 19 -19.217 12.060 13.060 1.00 61.12 H new ATOM 0 HD11 LEU A 19 -17.721 10.394 12.030 1.00 10.43 H new ATOM 0 HD12 LEU A 19 -19.153 10.709 11.021 1.00 10.43 H new ATOM 0 HD13 LEU A 19 -17.582 11.421 10.583 1.00 10.43 H new ATOM 0 HD21 LEU A 19 -16.788 12.173 13.464 1.00 73.12 H new ATOM 0 HD22 LEU A 19 -16.613 13.269 12.073 1.00 73.12 H new ATOM 0 HD23 LEU A 19 -17.539 13.786 13.502 1.00 73.12 H new ATOM 309 N GLU A 20 -21.035 15.032 9.527 1.00 61.21 N ATOM 310 CA GLU A 20 -21.901 16.167 9.231 1.00 62.05 C ATOM 311 C GLU A 20 -23.085 15.738 8.369 1.00 64.25 C ATOM 312 O GLU A 20 -24.200 16.230 8.538 1.00 62.13 O ATOM 313 CB GLU A 20 -21.111 17.268 8.520 1.00 64.44 C ATOM 314 CG GLU A 20 -19.980 16.741 7.652 1.00 41.43 C ATOM 315 CD GLU A 20 -19.440 17.790 6.698 1.00 31.41 C ATOM 316 OE1 GLU A 20 -20.256 18.472 6.044 1.00 73.12 O ATOM 317 OE2 GLU A 20 -18.203 17.927 6.606 1.00 44.52 O ATOM 0 H GLU A 20 -20.121 15.069 9.075 1.00 61.21 H new ATOM 0 HA GLU A 20 -22.283 16.556 10.175 1.00 62.05 H new ATOM 0 HB2 GLU A 20 -21.793 17.850 7.900 1.00 64.44 H new ATOM 0 HB3 GLU A 20 -20.699 17.948 9.266 1.00 64.44 H new ATOM 0 HG2 GLU A 20 -19.172 16.386 8.291 1.00 41.43 H new ATOM 0 HG3 GLU A 20 -20.335 15.883 7.080 1.00 41.43 H new ATOM 324 N ALA A 21 -22.833 14.817 7.444 1.00 44.44 N ATOM 325 CA ALA A 21 -23.877 14.321 6.556 1.00 65.51 C ATOM 326 C ALA A 21 -24.958 13.584 7.339 1.00 54.31 C ATOM 327 O ALA A 21 -26.148 13.860 7.181 1.00 10.22 O ATOM 328 CB ALA A 21 -23.278 13.409 5.495 1.00 45.20 C ATOM 0 H ALA A 21 -21.915 14.400 7.290 1.00 44.44 H new ATOM 0 HA ALA A 21 -24.339 15.177 6.065 1.00 65.51 H new ATOM 0 HB1 ALA A 21 -24.069 13.046 4.839 1.00 45.20 H new ATOM 0 HB2 ALA A 21 -22.546 13.965 4.908 1.00 45.20 H new ATOM 0 HB3 ALA A 21 -22.789 12.562 5.977 1.00 45.20 H new ATOM 334 N ILE A 22 -24.538 12.647 8.182 1.00 50.14 N ATOM 335 CA ILE A 22 -25.472 11.872 8.989 1.00 62.11 C ATOM 336 C ILE A 22 -26.079 12.725 10.098 1.00 73.34 C ATOM 337 O ILE A 22 -27.247 12.561 10.451 1.00 31.03 O ATOM 338 CB ILE A 22 -24.788 10.644 9.618 1.00 65.12 C ATOM 339 CG1 ILE A 22 -24.978 9.415 8.727 1.00 64.34 C ATOM 340 CG2 ILE A 22 -25.341 10.385 11.011 1.00 4.13 C ATOM 341 CD1 ILE A 22 -24.829 9.710 7.251 1.00 63.25 C ATOM 0 H ILE A 22 -23.557 12.406 8.324 1.00 50.14 H new ATOM 0 HA ILE A 22 -26.263 11.534 8.319 1.00 62.11 H new ATOM 0 HB ILE A 22 -23.720 10.846 9.704 1.00 65.12 H new ATOM 0 HG12 ILE A 22 -24.252 8.654 9.012 1.00 64.34 H new ATOM 0 HG13 ILE A 22 -25.968 8.995 8.907 1.00 64.34 H new ATOM 0 HG21 ILE A 22 -24.848 9.514 11.442 1.00 4.13 H new ATOM 0 HG22 ILE A 22 -25.159 11.255 11.642 1.00 4.13 H new ATOM 0 HG23 ILE A 22 -26.413 10.200 10.948 1.00 4.13 H new ATOM 0 HD11 ILE A 22 -24.976 8.793 6.680 1.00 63.25 H new ATOM 0 HD12 ILE A 22 -25.573 10.448 6.951 1.00 63.25 H new ATOM 0 HD13 ILE A 22 -23.830 10.101 7.057 1.00 63.25 H new ATOM 353 N ARG A 23 -25.279 13.636 10.641 1.00 55.41 N ATOM 354 CA ARG A 23 -25.738 14.516 11.709 1.00 14.02 C ATOM 355 C ARG A 23 -27.005 15.259 11.295 1.00 0.30 C ATOM 356 O ARG A 23 -27.908 15.468 12.106 1.00 64.44 O ATOM 357 CB ARG A 23 -24.644 15.519 12.079 1.00 63.41 C ATOM 358 CG ARG A 23 -23.819 15.103 13.286 1.00 32.51 C ATOM 359 CD ARG A 23 -22.391 15.614 13.188 1.00 4.31 C ATOM 360 NE ARG A 23 -22.201 16.855 13.935 1.00 53.25 N ATOM 361 CZ ARG A 23 -21.038 17.491 14.020 1.00 53.41 C ATOM 362 NH1 ARG A 23 -19.967 17.006 13.408 1.00 41.11 N ATOM 363 NH2 ARG A 23 -20.945 18.616 14.718 1.00 35.11 N ATOM 0 H ARG A 23 -24.310 13.784 10.359 1.00 55.41 H new ATOM 0 HA ARG A 23 -25.966 13.900 12.579 1.00 14.02 H new ATOM 0 HB2 ARG A 23 -23.981 15.652 11.224 1.00 63.41 H new ATOM 0 HB3 ARG A 23 -25.103 16.487 12.280 1.00 63.41 H new ATOM 0 HG2 ARG A 23 -24.282 15.487 14.195 1.00 32.51 H new ATOM 0 HG3 ARG A 23 -23.813 14.016 13.367 1.00 32.51 H new ATOM 0 HD2 ARG A 23 -21.707 14.854 13.567 1.00 4.31 H new ATOM 0 HD3 ARG A 23 -22.136 15.778 12.141 1.00 4.31 H new ATOM 0 HE ARG A 23 -23.006 17.255 14.418 1.00 53.25 H new ATOM 0 HH11 ARG A 23 -20.035 16.142 12.870 1.00 41.11 H new ATOM 0 HH12 ARG A 23 -19.075 17.497 13.475 1.00 41.11 H new ATOM 0 HH21 ARG A 23 -21.767 18.993 15.190 1.00 35.11 H new ATOM 0 HH22 ARG A 23 -20.051 19.104 14.783 1.00 35.11 H new ATOM 377 N SER A 24 -27.064 15.657 10.028 1.00 1.32 N ATOM 378 CA SER A 24 -28.218 16.381 9.507 1.00 4.33 C ATOM 379 C SER A 24 -29.463 15.500 9.520 1.00 11.24 C ATOM 380 O SER A 24 -30.581 15.989 9.687 1.00 42.53 O ATOM 381 CB SER A 24 -27.940 16.870 8.084 1.00 23.04 C ATOM 382 OG SER A 24 -28.203 18.257 7.961 1.00 23.10 O ATOM 0 H SER A 24 -26.326 15.490 9.343 1.00 1.32 H new ATOM 0 HA SER A 24 -28.397 17.242 10.151 1.00 4.33 H new ATOM 0 HB2 SER A 24 -26.901 16.669 7.824 1.00 23.04 H new ATOM 0 HB3 SER A 24 -28.558 16.315 7.378 1.00 23.04 H new ATOM 0 HG SER A 24 -28.016 18.545 7.043 1.00 23.10 H new ATOM 388 N ILE A 25 -29.261 14.199 9.344 1.00 73.12 N ATOM 389 CA ILE A 25 -30.367 13.249 9.336 1.00 1.03 C ATOM 390 C ILE A 25 -30.804 12.903 10.756 1.00 63.44 C ATOM 391 O ILE A 25 -31.996 12.879 11.061 1.00 72.51 O ATOM 392 CB ILE A 25 -29.990 11.952 8.596 1.00 2.03 C ATOM 393 CG1 ILE A 25 -29.500 12.270 7.182 1.00 21.01 C ATOM 394 CG2 ILE A 25 -31.179 11.004 8.550 1.00 25.33 C ATOM 395 CD1 ILE A 25 -28.281 11.473 6.771 1.00 14.33 C ATOM 0 H ILE A 25 -28.342 13.778 9.205 1.00 73.12 H new ATOM 0 HA ILE A 25 -31.193 13.730 8.811 1.00 1.03 H new ATOM 0 HB ILE A 25 -29.181 11.463 9.139 1.00 2.03 H new ATOM 0 HG12 ILE A 25 -30.306 12.076 6.475 1.00 21.01 H new ATOM 0 HG13 ILE A 25 -29.268 13.333 7.117 1.00 21.01 H new ATOM 0 HG21 ILE A 25 -30.897 10.092 8.024 1.00 25.33 H new ATOM 0 HG22 ILE A 25 -31.487 10.757 9.566 1.00 25.33 H new ATOM 0 HG23 ILE A 25 -32.007 11.483 8.027 1.00 25.33 H new ATOM 0 HD11 ILE A 25 -27.990 11.750 5.758 1.00 14.33 H new ATOM 0 HD12 ILE A 25 -27.460 11.685 7.456 1.00 14.33 H new ATOM 0 HD13 ILE A 25 -28.514 10.409 6.803 1.00 14.33 H new ATOM 407 N TYR A 26 -29.831 12.637 11.620 1.00 65.33 N ATOM 408 CA TYR A 26 -30.114 12.291 13.008 1.00 51.04 C ATOM 409 C TYR A 26 -29.731 13.434 13.943 1.00 62.21 C ATOM 410 O TYR A 26 -29.173 13.211 15.017 1.00 70.11 O ATOM 411 CB TYR A 26 -29.361 11.020 13.402 1.00 30.45 C ATOM 412 CG TYR A 26 -29.703 9.822 12.545 1.00 14.12 C ATOM 413 CD1 TYR A 26 -31.026 9.500 12.264 1.00 65.20 C ATOM 414 CD2 TYR A 26 -28.705 9.012 12.017 1.00 14.52 C ATOM 415 CE1 TYR A 26 -31.343 8.406 11.482 1.00 53.32 C ATOM 416 CE2 TYR A 26 -29.014 7.918 11.233 1.00 62.01 C ATOM 417 CZ TYR A 26 -30.334 7.619 10.968 1.00 30.12 C ATOM 418 OH TYR A 26 -30.645 6.529 10.188 1.00 34.45 O ATOM 0 H TYR A 26 -28.839 12.654 11.384 1.00 65.33 H new ATOM 0 HA TYR A 26 -31.185 12.114 13.101 1.00 51.04 H new ATOM 0 HB2 TYR A 26 -28.289 11.208 13.337 1.00 30.45 H new ATOM 0 HB3 TYR A 26 -29.581 10.786 14.443 1.00 30.45 H new ATOM 0 HD1 TYR A 26 -31.819 10.115 12.663 1.00 65.20 H new ATOM 0 HD2 TYR A 26 -27.670 9.242 12.223 1.00 14.52 H new ATOM 0 HE1 TYR A 26 -32.376 8.168 11.274 1.00 53.32 H new ATOM 0 HE2 TYR A 26 -28.226 7.300 10.829 1.00 62.01 H new ATOM 0 HH TYR A 26 -29.830 6.187 9.764 1.00 34.45 H new ATOM 428 N MET A 27 -30.035 14.658 13.526 1.00 52.42 N ATOM 429 CA MET A 27 -29.725 15.837 14.326 1.00 3.14 C ATOM 430 C MET A 27 -29.945 15.560 15.810 1.00 15.21 C ATOM 431 O MET A 27 -29.056 15.784 16.632 1.00 74.42 O ATOM 432 CB MET A 27 -30.585 17.022 13.883 1.00 11.03 C ATOM 433 CG MET A 27 -30.503 17.309 12.393 1.00 61.12 C ATOM 434 SD MET A 27 -32.126 17.517 11.635 1.00 62.51 S ATOM 435 CE MET A 27 -32.818 15.880 11.863 1.00 2.30 C ATOM 0 H MET A 27 -30.496 14.860 12.639 1.00 52.42 H new ATOM 0 HA MET A 27 -28.674 16.083 14.172 1.00 3.14 H new ATOM 0 HB2 MET A 27 -31.623 16.827 14.150 1.00 11.03 H new ATOM 0 HB3 MET A 27 -30.276 17.911 14.433 1.00 11.03 H new ATOM 0 HG2 MET A 27 -29.913 18.212 12.233 1.00 61.12 H new ATOM 0 HG3 MET A 27 -29.977 16.493 11.898 1.00 61.12 H new ATOM 0 HE1 MET A 27 -33.904 15.949 11.925 1.00 2.30 H new ATOM 0 HE2 MET A 27 -32.542 15.248 11.019 1.00 2.30 H new ATOM 0 HE3 MET A 27 -32.429 15.446 12.784 1.00 2.30 H new ATOM 445 N ASP A 28 -31.135 15.073 16.146 1.00 50.42 N ATOM 446 CA ASP A 28 -31.472 14.765 17.531 1.00 40.32 C ATOM 447 C ASP A 28 -31.078 13.334 17.880 1.00 24.35 C ATOM 448 O ASP A 28 -30.699 13.043 19.015 1.00 11.34 O ATOM 449 CB ASP A 28 -32.969 14.968 17.771 1.00 3.32 C ATOM 450 CG ASP A 28 -33.266 16.253 18.519 1.00 40.33 C ATOM 451 OD1 ASP A 28 -33.055 16.286 19.749 1.00 71.11 O ATOM 452 OD2 ASP A 28 -33.710 17.226 17.874 1.00 53.24 O ATOM 0 H ASP A 28 -31.882 14.883 15.478 1.00 50.42 H new ATOM 0 HA ASP A 28 -30.913 15.444 18.175 1.00 40.32 H new ATOM 0 HB2 ASP A 28 -33.489 14.980 16.813 1.00 3.32 H new ATOM 0 HB3 ASP A 28 -33.361 14.123 18.336 1.00 3.32 H new ATOM 457 N ASP A 29 -31.170 12.444 16.899 1.00 61.43 N ATOM 458 CA ASP A 29 -30.823 11.042 17.102 1.00 21.14 C ATOM 459 C ASP A 29 -29.323 10.823 16.931 1.00 41.12 C ATOM 460 O ASP A 29 -28.874 9.708 16.666 1.00 20.43 O ATOM 461 CB ASP A 29 -31.595 10.156 16.124 1.00 34.20 C ATOM 462 CG ASP A 29 -32.964 9.770 16.649 1.00 32.02 C ATOM 463 OD1 ASP A 29 -33.879 10.619 16.600 1.00 62.50 O ATOM 464 OD2 ASP A 29 -33.121 8.620 17.110 1.00 23.32 O ATOM 0 H ASP A 29 -31.482 12.668 15.954 1.00 61.43 H new ATOM 0 HA ASP A 29 -31.098 10.770 18.121 1.00 21.14 H new ATOM 0 HB2 ASP A 29 -31.708 10.680 15.175 1.00 34.20 H new ATOM 0 HB3 ASP A 29 -31.018 9.253 15.923 1.00 34.20 H new ATOM 469 N PHE A 30 -28.553 11.895 17.082 1.00 4.32 N ATOM 470 CA PHE A 30 -27.103 11.821 16.942 1.00 40.11 C ATOM 471 C PHE A 30 -26.415 12.030 18.288 1.00 41.12 C ATOM 472 O PHE A 30 -26.691 12.999 18.996 1.00 43.21 O ATOM 473 CB PHE A 30 -26.612 12.866 15.938 1.00 53.12 C ATOM 474 CG PHE A 30 -25.211 13.339 16.201 1.00 31.20 C ATOM 475 CD1 PHE A 30 -24.960 14.299 17.168 1.00 41.13 C ATOM 476 CD2 PHE A 30 -24.145 12.823 15.481 1.00 13.23 C ATOM 477 CE1 PHE A 30 -23.672 14.736 17.413 1.00 44.03 C ATOM 478 CE2 PHE A 30 -22.855 13.256 15.722 1.00 30.11 C ATOM 479 CZ PHE A 30 -22.618 14.214 16.688 1.00 0.41 C ATOM 0 H PHE A 30 -28.909 12.826 17.301 1.00 4.32 H new ATOM 0 HA PHE A 30 -26.849 10.827 16.574 1.00 40.11 H new ATOM 0 HB2 PHE A 30 -26.662 12.445 14.934 1.00 53.12 H new ATOM 0 HB3 PHE A 30 -27.286 13.722 15.959 1.00 53.12 H new ATOM 0 HD1 PHE A 30 -25.781 14.711 17.737 1.00 41.13 H new ATOM 0 HD2 PHE A 30 -24.324 12.074 14.723 1.00 13.23 H new ATOM 0 HE1 PHE A 30 -23.490 15.484 18.170 1.00 44.03 H new ATOM 0 HE2 PHE A 30 -22.033 12.845 15.155 1.00 30.11 H new ATOM 0 HZ PHE A 30 -21.611 14.555 16.876 1.00 0.41 H new ATOM 489 N THR A 31 -25.517 11.113 18.636 1.00 52.24 N ATOM 490 CA THR A 31 -24.791 11.195 19.896 1.00 25.32 C ATOM 491 C THR A 31 -23.302 11.425 19.659 1.00 34.32 C ATOM 492 O THR A 31 -22.688 10.764 18.821 1.00 12.22 O ATOM 493 CB THR A 31 -24.974 9.915 20.734 1.00 65.01 C ATOM 494 OG1 THR A 31 -26.366 9.681 20.973 1.00 2.24 O ATOM 495 CG2 THR A 31 -24.237 10.027 22.060 1.00 33.44 C ATOM 0 H THR A 31 -25.276 10.305 18.062 1.00 52.24 H new ATOM 0 HA THR A 31 -25.204 12.042 20.444 1.00 25.32 H new ATOM 0 HB THR A 31 -24.557 9.078 20.175 1.00 65.01 H new ATOM 0 HG1 THR A 31 -26.474 8.865 21.505 1.00 2.24 H new ATOM 0 HG21 THR A 31 -24.381 9.112 22.634 1.00 33.44 H new ATOM 0 HG22 THR A 31 -23.173 10.175 21.874 1.00 33.44 H new ATOM 0 HG23 THR A 31 -24.628 10.874 22.623 1.00 33.44 H new ATOM 503 N ASP A 32 -22.728 12.364 20.402 1.00 11.32 N ATOM 504 CA ASP A 32 -21.310 12.680 20.274 1.00 53.32 C ATOM 505 C ASP A 32 -20.496 11.974 21.353 1.00 32.14 C ATOM 506 O ASP A 32 -20.719 12.178 22.548 1.00 51.25 O ATOM 507 CB ASP A 32 -21.093 14.192 20.361 1.00 62.34 C ATOM 508 CG ASP A 32 -19.671 14.593 20.019 1.00 31.42 C ATOM 509 OD1 ASP A 32 -18.747 13.803 20.305 1.00 4.14 O ATOM 510 OD2 ASP A 32 -19.483 15.696 19.465 1.00 71.51 O ATOM 0 H ASP A 32 -23.223 12.920 21.100 1.00 11.32 H new ATOM 0 HA ASP A 32 -20.971 12.327 19.300 1.00 53.32 H new ATOM 0 HB2 ASP A 32 -21.782 14.695 19.683 1.00 62.34 H new ATOM 0 HB3 ASP A 32 -21.331 14.533 21.368 1.00 62.34 H new ATOM 515 N LEU A 33 -19.553 11.142 20.926 1.00 30.33 N ATOM 516 CA LEU A 33 -18.706 10.403 21.856 1.00 3.44 C ATOM 517 C LEU A 33 -17.233 10.723 21.622 1.00 63.31 C ATOM 518 O LEU A 33 -16.354 10.188 22.300 1.00 52.41 O ATOM 519 CB LEU A 33 -18.943 8.899 21.710 1.00 40.45 C ATOM 520 CG LEU A 33 -17.892 8.129 20.910 1.00 41.15 C ATOM 521 CD1 LEU A 33 -18.379 6.720 20.606 1.00 5.44 C ATOM 522 CD2 LEU A 33 -17.555 8.867 19.622 1.00 3.33 C ATOM 0 H LEU A 33 -19.355 10.962 19.942 1.00 30.33 H new ATOM 0 HA LEU A 33 -18.969 10.708 22.869 1.00 3.44 H new ATOM 0 HB2 LEU A 33 -19.004 8.462 22.707 1.00 40.45 H new ATOM 0 HB3 LEU A 33 -19.913 8.749 21.237 1.00 40.45 H new ATOM 0 HG LEU A 33 -16.986 8.057 21.512 1.00 41.15 H new ATOM 0 HD11 LEU A 33 -17.618 6.187 20.036 1.00 5.44 H new ATOM 0 HD12 LEU A 33 -18.569 6.191 21.540 1.00 5.44 H new ATOM 0 HD13 LEU A 33 -19.299 6.771 20.024 1.00 5.44 H new ATOM 0 HD21 LEU A 33 -16.805 8.304 19.066 1.00 3.33 H new ATOM 0 HD22 LEU A 33 -18.455 8.970 19.016 1.00 3.33 H new ATOM 0 HD23 LEU A 33 -17.163 9.856 19.861 1.00 3.33 H new ATOM 534 N THR A 34 -16.969 11.600 20.658 1.00 25.51 N ATOM 535 CA THR A 34 -15.603 11.991 20.335 1.00 45.33 C ATOM 536 C THR A 34 -14.860 12.474 21.576 1.00 73.52 C ATOM 537 O THR A 34 -15.325 12.290 22.701 1.00 75.02 O ATOM 538 CB THR A 34 -15.574 13.103 19.269 1.00 14.31 C ATOM 539 OG1 THR A 34 -16.735 13.012 18.436 1.00 51.45 O ATOM 540 CG2 THR A 34 -14.320 13.002 18.414 1.00 74.31 C ATOM 0 H THR A 34 -17.683 12.053 20.088 1.00 25.51 H new ATOM 0 HA THR A 34 -15.107 11.105 19.940 1.00 45.33 H new ATOM 0 HB THR A 34 -15.568 14.066 19.780 1.00 14.31 H new ATOM 0 HG1 THR A 34 -17.502 13.409 18.899 1.00 51.45 H new ATOM 0 HG21 THR A 34 -14.323 13.798 17.669 1.00 74.31 H new ATOM 0 HG22 THR A 34 -13.439 13.101 19.048 1.00 74.31 H new ATOM 0 HG23 THR A 34 -14.299 12.035 17.912 1.00 74.31 H new ATOM 727 N GLN A 45 -10.513 9.807 16.558 1.00 23.12 N ATOM 728 CA GLN A 45 -10.297 9.029 15.344 1.00 60.20 C ATOM 729 C GLN A 45 -11.536 9.052 14.455 1.00 10.21 C ATOM 730 O GLN A 45 -11.691 8.212 13.568 1.00 14.14 O ATOM 731 CB GLN A 45 -9.934 7.585 15.696 1.00 75.01 C ATOM 732 CG GLN A 45 -11.141 6.711 15.998 1.00 51.03 C ATOM 733 CD GLN A 45 -10.760 5.390 16.636 1.00 1.03 C ATOM 734 OE1 GLN A 45 -9.858 5.329 17.473 1.00 74.01 O ATOM 735 NE2 GLN A 45 -11.446 4.323 16.245 1.00 73.14 N ATOM 0 HA GLN A 45 -9.470 9.481 14.796 1.00 60.20 H new ATOM 0 HB2 GLN A 45 -9.377 7.147 14.868 1.00 75.01 H new ATOM 0 HB3 GLN A 45 -9.271 7.586 16.561 1.00 75.01 H new ATOM 0 HG2 GLN A 45 -11.817 7.249 16.662 1.00 51.03 H new ATOM 0 HG3 GLN A 45 -11.687 6.520 15.074 1.00 51.03 H new ATOM 0 HE21 GLN A 45 -12.185 4.419 15.549 1.00 73.14 H new ATOM 0 HE22 GLN A 45 -11.234 3.407 16.641 1.00 73.14 H new ATOM 744 N ILE A 46 -12.415 10.019 14.699 1.00 63.32 N ATOM 745 CA ILE A 46 -13.639 10.151 13.920 1.00 54.33 C ATOM 746 C ILE A 46 -14.610 9.015 14.224 1.00 12.30 C ATOM 747 O ILE A 46 -14.769 8.091 13.426 1.00 31.23 O ATOM 748 CB ILE A 46 -13.346 10.169 12.408 1.00 42.41 C ATOM 749 CG1 ILE A 46 -12.316 11.252 12.079 1.00 1.23 C ATOM 750 CG2 ILE A 46 -14.629 10.395 11.622 1.00 63.11 C ATOM 751 CD1 ILE A 46 -12.871 12.657 12.157 1.00 3.32 C ATOM 0 H ILE A 46 -12.302 10.722 15.430 1.00 63.32 H new ATOM 0 HA ILE A 46 -14.093 11.100 14.205 1.00 54.33 H new ATOM 0 HB ILE A 46 -12.933 9.202 12.122 1.00 42.41 H new ATOM 0 HG12 ILE A 46 -11.475 11.163 12.767 1.00 1.23 H new ATOM 0 HG13 ILE A 46 -11.927 11.079 11.076 1.00 1.23 H new ATOM 0 HG21 ILE A 46 -14.405 10.405 10.555 1.00 63.11 H new ATOM 0 HG22 ILE A 46 -15.334 9.592 11.837 1.00 63.11 H new ATOM 0 HG23 ILE A 46 -15.068 11.350 11.910 1.00 63.11 H new ATOM 0 HD11 ILE A 46 -12.086 13.372 11.912 1.00 3.32 H new ATOM 0 HD12 ILE A 46 -13.693 12.763 11.449 1.00 3.32 H new ATOM 0 HD13 ILE A 46 -13.234 12.849 13.166 1.00 3.32 H new ATOM 763 N ILE A 47 -15.258 9.092 15.381 1.00 11.35 N ATOM 764 CA ILE A 47 -16.216 8.072 15.790 1.00 42.14 C ATOM 765 C ILE A 47 -17.403 8.693 16.518 1.00 22.54 C ATOM 766 O ILE A 47 -17.264 9.708 17.201 1.00 34.32 O ATOM 767 CB ILE A 47 -15.561 7.018 16.702 1.00 11.32 C ATOM 768 CG1 ILE A 47 -14.878 7.696 17.892 1.00 33.11 C ATOM 769 CG2 ILE A 47 -14.561 6.184 15.916 1.00 73.05 C ATOM 770 CD1 ILE A 47 -13.662 8.508 17.508 1.00 5.41 C ATOM 0 H ILE A 47 -15.137 9.850 16.052 1.00 11.35 H new ATOM 0 HA ILE A 47 -16.566 7.585 14.880 1.00 42.14 H new ATOM 0 HB ILE A 47 -16.338 6.355 17.082 1.00 11.32 H new ATOM 0 HG12 ILE A 47 -15.597 8.346 18.391 1.00 33.11 H new ATOM 0 HG13 ILE A 47 -14.583 6.934 18.614 1.00 33.11 H new ATOM 0 HG21 ILE A 47 -14.107 5.444 16.575 1.00 73.05 H new ATOM 0 HG22 ILE A 47 -15.073 5.676 15.099 1.00 73.05 H new ATOM 0 HG23 ILE A 47 -13.785 6.833 15.510 1.00 73.05 H new ATOM 0 HD11 ILE A 47 -13.229 8.960 18.401 1.00 5.41 H new ATOM 0 HD12 ILE A 47 -12.925 7.858 17.036 1.00 5.41 H new ATOM 0 HD13 ILE A 47 -13.954 9.292 16.810 1.00 5.41 H new ATOM 782 N PHE A 48 -18.570 8.074 16.370 1.00 1.52 N ATOM 783 CA PHE A 48 -19.782 8.565 17.015 1.00 12.31 C ATOM 784 C PHE A 48 -20.853 7.479 17.060 1.00 63.35 C ATOM 785 O PHE A 48 -20.850 6.557 16.244 1.00 3.13 O ATOM 786 CB PHE A 48 -20.317 9.794 16.276 1.00 21.21 C ATOM 787 CG PHE A 48 -20.734 9.508 14.862 1.00 41.13 C ATOM 788 CD1 PHE A 48 -19.785 9.321 13.870 1.00 44.31 C ATOM 789 CD2 PHE A 48 -22.075 9.426 14.524 1.00 32.31 C ATOM 790 CE1 PHE A 48 -20.166 9.059 12.568 1.00 42.14 C ATOM 791 CE2 PHE A 48 -22.462 9.163 13.223 1.00 14.34 C ATOM 792 CZ PHE A 48 -21.506 8.979 12.244 1.00 32.31 C ATOM 0 H PHE A 48 -18.702 7.232 15.809 1.00 1.52 H new ATOM 0 HA PHE A 48 -19.531 8.845 18.038 1.00 12.31 H new ATOM 0 HB2 PHE A 48 -21.170 10.195 16.824 1.00 21.21 H new ATOM 0 HB3 PHE A 48 -19.549 10.568 16.271 1.00 21.21 H new ATOM 0 HD1 PHE A 48 -18.735 9.381 14.117 1.00 44.31 H new ATOM 0 HD2 PHE A 48 -22.827 9.569 15.286 1.00 32.31 H new ATOM 0 HE1 PHE A 48 -19.416 8.917 11.804 1.00 42.14 H new ATOM 0 HE2 PHE A 48 -23.511 9.102 12.973 1.00 14.34 H new ATOM 0 HZ PHE A 48 -21.806 8.773 11.227 1.00 32.31 H new ATOM 802 N GLU A 49 -21.766 7.595 18.018 1.00 11.04 N ATOM 803 CA GLU A 49 -22.841 6.622 18.170 1.00 15.02 C ATOM 804 C GLU A 49 -24.180 7.221 17.749 1.00 74.32 C ATOM 805 O GLU A 49 -24.386 8.431 17.838 1.00 52.51 O ATOM 806 CB GLU A 49 -22.920 6.138 19.619 1.00 34.25 C ATOM 807 CG GLU A 49 -21.562 5.891 20.254 1.00 42.04 C ATOM 808 CD GLU A 49 -21.667 5.324 21.656 1.00 1.52 C ATOM 809 OE1 GLU A 49 -22.482 4.401 21.863 1.00 71.02 O ATOM 810 OE2 GLU A 49 -20.935 5.804 22.547 1.00 51.21 O ATOM 0 H GLU A 49 -21.783 8.353 18.701 1.00 11.04 H new ATOM 0 HA GLU A 49 -22.622 5.773 17.522 1.00 15.02 H new ATOM 0 HB2 GLU A 49 -23.459 6.877 20.211 1.00 34.25 H new ATOM 0 HB3 GLU A 49 -23.501 5.216 19.654 1.00 34.25 H new ATOM 0 HG2 GLU A 49 -20.993 5.202 19.629 1.00 42.04 H new ATOM 0 HG3 GLU A 49 -21.004 6.827 20.286 1.00 42.04 H new ATOM 817 N ILE A 50 -25.086 6.364 17.289 1.00 13.24 N ATOM 818 CA ILE A 50 -26.405 6.808 16.855 1.00 70.22 C ATOM 819 C ILE A 50 -27.506 5.966 17.491 1.00 64.41 C ATOM 820 O ILE A 50 -27.411 4.739 17.548 1.00 45.01 O ATOM 821 CB ILE A 50 -26.544 6.742 15.322 1.00 34.15 C ATOM 822 CG1 ILE A 50 -25.615 7.760 14.660 1.00 42.54 C ATOM 823 CG2 ILE A 50 -27.988 6.988 14.911 1.00 73.01 C ATOM 824 CD1 ILE A 50 -25.992 9.197 14.944 1.00 54.54 C ATOM 0 H ILE A 50 -24.931 5.359 17.207 1.00 13.24 H new ATOM 0 HA ILE A 50 -26.512 7.844 17.178 1.00 70.22 H new ATOM 0 HB ILE A 50 -26.256 5.745 14.988 1.00 34.15 H new ATOM 0 HG12 ILE A 50 -24.595 7.586 15.003 1.00 42.54 H new ATOM 0 HG13 ILE A 50 -25.621 7.598 13.582 1.00 42.54 H new ATOM 0 HG21 ILE A 50 -28.071 6.938 13.825 1.00 73.01 H new ATOM 0 HG22 ILE A 50 -28.628 6.228 15.359 1.00 73.01 H new ATOM 0 HG23 ILE A 50 -28.301 7.974 15.254 1.00 73.01 H new ATOM 0 HD11 ILE A 50 -25.290 9.863 14.443 1.00 54.54 H new ATOM 0 HD12 ILE A 50 -27.000 9.388 14.576 1.00 54.54 H new ATOM 0 HD13 ILE A 50 -25.958 9.376 16.019 1.00 54.54 H new ATOM 836 N THR A 51 -28.553 6.632 17.968 1.00 43.04 N ATOM 837 CA THR A 51 -29.673 5.946 18.599 1.00 25.30 C ATOM 838 C THR A 51 -30.708 5.517 17.566 1.00 51.13 C ATOM 839 O THR A 51 -31.314 6.354 16.894 1.00 25.34 O ATOM 840 CB THR A 51 -30.355 6.837 19.654 1.00 60.21 C ATOM 841 OG1 THR A 51 -29.408 7.223 20.656 1.00 44.12 O ATOM 842 CG2 THR A 51 -31.521 6.108 20.305 1.00 1.42 C ATOM 0 H THR A 51 -28.648 7.647 17.929 1.00 43.04 H new ATOM 0 HA THR A 51 -29.266 5.062 19.089 1.00 25.30 H new ATOM 0 HB THR A 51 -30.737 7.727 19.154 1.00 60.21 H new ATOM 0 HG1 THR A 51 -29.849 7.791 21.322 1.00 44.12 H new ATOM 0 HG21 THR A 51 -31.987 6.757 21.047 1.00 1.42 H new ATOM 0 HG22 THR A 51 -32.254 5.841 19.544 1.00 1.42 H new ATOM 0 HG23 THR A 51 -31.158 5.203 20.792 1.00 1.42 H new ATOM 850 N LEU A 52 -30.908 4.210 17.443 1.00 71.42 N ATOM 851 CA LEU A 52 -31.872 3.669 16.491 1.00 53.34 C ATOM 852 C LEU A 52 -32.990 2.922 17.212 1.00 42.42 C ATOM 853 O LEU A 52 -32.869 2.594 18.392 1.00 30.40 O ATOM 854 CB LEU A 52 -31.174 2.734 15.502 1.00 5.12 C ATOM 855 CG LEU A 52 -30.437 3.410 14.345 1.00 70.31 C ATOM 856 CD1 LEU A 52 -29.862 2.368 13.398 1.00 51.25 C ATOM 857 CD2 LEU A 52 -31.368 4.355 13.600 1.00 41.12 C ATOM 0 H LEU A 52 -30.415 3.505 17.991 1.00 71.42 H new ATOM 0 HA LEU A 52 -32.311 4.503 15.944 1.00 53.34 H new ATOM 0 HB2 LEU A 52 -30.460 2.122 16.053 1.00 5.12 H new ATOM 0 HB3 LEU A 52 -31.919 2.057 15.085 1.00 5.12 H new ATOM 0 HG LEU A 52 -29.612 3.993 14.755 1.00 70.31 H new ATOM 0 HD11 LEU A 52 -29.341 2.867 12.581 1.00 51.25 H new ATOM 0 HD12 LEU A 52 -29.162 1.731 13.939 1.00 51.25 H new ATOM 0 HD13 LEU A 52 -30.670 1.758 12.994 1.00 51.25 H new ATOM 0 HD21 LEU A 52 -30.827 4.827 12.780 1.00 41.12 H new ATOM 0 HD22 LEU A 52 -32.213 3.794 13.201 1.00 41.12 H new ATOM 0 HD23 LEU A 52 -31.732 5.122 14.284 1.00 41.12 H new ATOM 869 N ARG A 53 -34.076 2.656 16.494 1.00 41.13 N ATOM 870 CA ARG A 53 -35.214 1.947 17.065 1.00 75.01 C ATOM 871 C ARG A 53 -36.278 1.682 16.003 1.00 12.24 C ATOM 872 O ARG A 53 -36.150 2.119 14.860 1.00 72.24 O ATOM 873 CB ARG A 53 -35.818 2.752 18.217 1.00 30.02 C ATOM 874 CG ARG A 53 -36.377 4.100 17.791 1.00 30.34 C ATOM 875 CD ARG A 53 -35.321 5.191 17.871 1.00 40.12 C ATOM 876 NE ARG A 53 -35.860 6.436 18.411 1.00 10.14 N ATOM 877 CZ ARG A 53 -36.705 7.220 17.750 1.00 23.51 C ATOM 878 NH1 ARG A 53 -37.105 6.888 16.530 1.00 1.23 N ATOM 879 NH2 ARG A 53 -37.151 8.337 18.309 1.00 33.02 N ATOM 0 H ARG A 53 -34.192 2.921 15.516 1.00 41.13 H new ATOM 0 HA ARG A 53 -34.859 0.990 17.447 1.00 75.01 H new ATOM 0 HB2 ARG A 53 -36.614 2.168 18.679 1.00 30.02 H new ATOM 0 HB3 ARG A 53 -35.054 2.909 18.979 1.00 30.02 H new ATOM 0 HG2 ARG A 53 -36.755 4.032 16.771 1.00 30.34 H new ATOM 0 HG3 ARG A 53 -37.222 4.362 18.428 1.00 30.34 H new ATOM 0 HD2 ARG A 53 -34.496 4.852 18.497 1.00 40.12 H new ATOM 0 HD3 ARG A 53 -34.913 5.374 16.877 1.00 40.12 H new ATOM 0 HE ARG A 53 -35.572 6.720 19.347 1.00 10.14 H new ATOM 0 HH11 ARG A 53 -36.764 6.030 16.097 1.00 1.23 H new ATOM 0 HH12 ARG A 53 -37.754 7.491 16.024 1.00 1.23 H new ATOM 0 HH21 ARG A 53 -36.845 8.595 19.247 1.00 33.02 H new ATOM 0 HH22 ARG A 53 -37.800 8.938 17.801 1.00 33.02 H new ATOM 893 N SER A 54 -37.327 0.964 16.391 1.00 73.34 N ATOM 894 CA SER A 54 -38.411 0.637 15.471 1.00 31.24 C ATOM 895 C SER A 54 -39.173 1.893 15.062 1.00 54.35 C ATOM 896 O SER A 54 -38.629 2.997 15.081 1.00 54.51 O ATOM 897 CB SER A 54 -39.369 -0.367 16.116 1.00 71.24 C ATOM 898 OG SER A 54 -40.116 0.237 17.158 1.00 65.42 O ATOM 0 H SER A 54 -37.450 0.598 17.335 1.00 73.34 H new ATOM 0 HA SER A 54 -37.975 0.191 14.577 1.00 31.24 H new ATOM 0 HB2 SER A 54 -40.048 -0.764 15.361 1.00 71.24 H new ATOM 0 HB3 SER A 54 -38.804 -1.211 16.512 1.00 71.24 H new ATOM 0 HG SER A 54 -39.529 0.409 17.924 1.00 65.42 H new ATOM 904 N VAL A 55 -40.437 1.716 14.690 1.00 14.32 N ATOM 905 CA VAL A 55 -41.276 2.835 14.276 1.00 34.43 C ATOM 906 C VAL A 55 -42.489 2.979 15.188 1.00 33.35 C ATOM 907 O VAL A 55 -43.114 4.038 15.245 1.00 1.21 O ATOM 908 CB VAL A 55 -41.758 2.667 12.823 1.00 42.12 C ATOM 909 CG1 VAL A 55 -40.593 2.806 11.855 1.00 63.21 C ATOM 910 CG2 VAL A 55 -42.454 1.326 12.644 1.00 42.33 C ATOM 0 H VAL A 55 -40.902 0.809 14.667 1.00 14.32 H new ATOM 0 HA VAL A 55 -40.663 3.733 14.347 1.00 34.43 H new ATOM 0 HB VAL A 55 -42.478 3.456 12.604 1.00 42.12 H new ATOM 0 HG11 VAL A 55 -40.952 2.684 10.833 1.00 63.21 H new ATOM 0 HG12 VAL A 55 -40.143 3.793 11.966 1.00 63.21 H new ATOM 0 HG13 VAL A 55 -39.847 2.041 12.071 1.00 63.21 H new ATOM 0 HG21 VAL A 55 -42.788 1.224 11.611 1.00 42.33 H new ATOM 0 HG22 VAL A 55 -41.759 0.521 12.881 1.00 42.33 H new ATOM 0 HG23 VAL A 55 -43.315 1.271 13.311 1.00 42.33 H new ATOM 920 N ASP A 56 -42.817 1.907 15.901 1.00 30.24 N ATOM 921 CA ASP A 56 -43.955 1.914 16.813 1.00 20.34 C ATOM 922 C ASP A 56 -43.493 1.764 18.260 1.00 53.34 C ATOM 923 O ASP A 56 -42.300 1.634 18.532 1.00 45.45 O ATOM 924 CB ASP A 56 -44.928 0.789 16.457 1.00 53.11 C ATOM 925 CG ASP A 56 -44.247 -0.362 15.743 1.00 2.22 C ATOM 926 OD1 ASP A 56 -43.104 -0.698 16.118 1.00 73.43 O ATOM 927 OD2 ASP A 56 -44.856 -0.925 14.809 1.00 23.44 O ATOM 0 H ASP A 56 -42.311 1.022 15.865 1.00 30.24 H new ATOM 0 HA ASP A 56 -44.465 2.872 16.710 1.00 20.34 H new ATOM 0 HB2 ASP A 56 -45.400 0.420 17.367 1.00 53.11 H new ATOM 0 HB3 ASP A 56 -45.722 1.186 15.825 1.00 53.11 H new ATOM 932 N LYS A 57 -44.447 1.785 19.185 1.00 63.42 N ATOM 933 CA LYS A 57 -44.140 1.651 20.604 1.00 45.31 C ATOM 934 C LYS A 57 -44.798 0.406 21.188 1.00 22.44 C ATOM 935 O LYS A 57 -44.573 0.061 22.348 1.00 71.41 O ATOM 936 CB LYS A 57 -44.606 2.893 21.367 1.00 52.23 C ATOM 937 CG LYS A 57 -44.128 4.198 20.755 1.00 42.44 C ATOM 938 CD LYS A 57 -44.894 4.533 19.486 1.00 12.40 C ATOM 939 CE LYS A 57 -45.657 5.842 19.625 1.00 73.31 C ATOM 940 NZ LYS A 57 -47.098 5.614 19.924 1.00 53.31 N ATOM 0 H LYS A 57 -45.440 1.894 18.977 1.00 63.42 H new ATOM 0 HA LYS A 57 -43.060 1.552 20.709 1.00 45.31 H new ATOM 0 HB2 LYS A 57 -45.695 2.897 21.406 1.00 52.23 H new ATOM 0 HB3 LYS A 57 -44.250 2.832 22.395 1.00 52.23 H new ATOM 0 HG2 LYS A 57 -44.248 5.005 21.477 1.00 42.44 H new ATOM 0 HG3 LYS A 57 -43.064 4.127 20.531 1.00 42.44 H new ATOM 0 HD2 LYS A 57 -44.200 4.602 18.648 1.00 12.40 H new ATOM 0 HD3 LYS A 57 -45.591 3.727 19.257 1.00 12.40 H new ATOM 0 HE2 LYS A 57 -45.211 6.440 20.420 1.00 73.31 H new ATOM 0 HE3 LYS A 57 -45.564 6.417 18.703 1.00 73.31 H new ATOM 0 HZ1 LYS A 57 -47.584 6.530 20.011 1.00 53.31 H new ATOM 0 HZ2 LYS A 57 -47.530 5.065 19.153 1.00 53.31 H new ATOM 0 HZ3 LYS A 57 -47.188 5.088 20.816 1.00 53.31 H new ATOM 954 N GLU A 58 -45.610 -0.265 20.377 1.00 23.32 N ATOM 955 CA GLU A 58 -46.299 -1.473 20.815 1.00 32.15 C ATOM 956 C GLU A 58 -46.221 -2.561 19.749 1.00 75.44 C ATOM 957 O GLU A 58 -46.236 -2.291 18.548 1.00 42.24 O ATOM 958 CB GLU A 58 -47.763 -1.163 21.138 1.00 65.22 C ATOM 959 CG GLU A 58 -48.609 -0.875 19.909 1.00 5.41 C ATOM 960 CD GLU A 58 -49.579 0.271 20.125 1.00 64.35 C ATOM 961 OE1 GLU A 58 -49.305 1.123 20.996 1.00 35.30 O ATOM 962 OE2 GLU A 58 -50.610 0.315 19.423 1.00 53.24 O ATOM 0 H GLU A 58 -45.807 0.007 19.414 1.00 23.32 H new ATOM 0 HA GLU A 58 -45.805 -1.836 21.716 1.00 32.15 H new ATOM 0 HB2 GLU A 58 -48.194 -2.007 21.676 1.00 65.22 H new ATOM 0 HB3 GLU A 58 -47.805 -0.304 21.807 1.00 65.22 H new ATOM 0 HG2 GLU A 58 -47.955 -0.640 19.069 1.00 5.41 H new ATOM 0 HG3 GLU A 58 -49.166 -1.772 19.638 1.00 5.41 H new ATOM 969 N PRO A 59 -46.136 -3.823 20.196 1.00 15.02 N ATOM 970 CA PRO A 59 -46.118 -4.157 21.623 1.00 21.14 C ATOM 971 C PRO A 59 -44.823 -3.725 22.303 1.00 12.12 C ATOM 972 O PRO A 59 -44.692 -3.813 23.524 1.00 10.41 O ATOM 973 CB PRO A 59 -46.243 -5.683 21.632 1.00 11.32 C ATOM 974 CG PRO A 59 -45.701 -6.115 20.313 1.00 15.24 C ATOM 975 CD PRO A 59 -46.051 -5.020 19.343 1.00 33.43 C ATOM 0 HA PRO A 59 -46.911 -3.647 22.171 1.00 21.14 H new ATOM 0 HB2 PRO A 59 -45.679 -6.122 22.455 1.00 11.32 H new ATOM 0 HB3 PRO A 59 -47.280 -5.995 21.755 1.00 11.32 H new ATOM 0 HG2 PRO A 59 -44.622 -6.262 20.363 1.00 15.24 H new ATOM 0 HG3 PRO A 59 -46.138 -7.065 20.004 1.00 15.24 H new ATOM 0 HD2 PRO A 59 -45.290 -4.909 18.570 1.00 33.43 H new ATOM 0 HD3 PRO A 59 -46.995 -5.219 18.835 1.00 33.43 H new ATOM 983 N VAL A 60 -43.869 -3.257 21.505 1.00 25.40 N ATOM 984 CA VAL A 60 -42.584 -2.810 22.030 1.00 12.22 C ATOM 985 C VAL A 60 -42.096 -1.564 21.300 1.00 10.30 C ATOM 986 O VAL A 60 -42.807 -1.002 20.468 1.00 15.32 O ATOM 987 CB VAL A 60 -41.515 -3.912 21.913 1.00 61.22 C ATOM 988 CG1 VAL A 60 -41.941 -5.153 22.682 1.00 23.41 C ATOM 989 CG2 VAL A 60 -41.251 -4.245 20.452 1.00 51.40 C ATOM 0 H VAL A 60 -43.961 -3.177 20.492 1.00 25.40 H new ATOM 0 HA VAL A 60 -42.737 -2.574 23.083 1.00 12.22 H new ATOM 0 HB VAL A 60 -40.588 -3.543 22.351 1.00 61.22 H new ATOM 0 HG11 VAL A 60 -41.173 -5.921 22.588 1.00 23.41 H new ATOM 0 HG12 VAL A 60 -42.075 -4.901 23.734 1.00 23.41 H new ATOM 0 HG13 VAL A 60 -42.881 -5.528 22.276 1.00 23.41 H new ATOM 0 HG21 VAL A 60 -40.493 -5.026 20.388 1.00 51.40 H new ATOM 0 HG22 VAL A 60 -42.172 -4.595 19.986 1.00 51.40 H new ATOM 0 HG23 VAL A 60 -40.898 -3.353 19.934 1.00 51.40 H new ATOM 999 N GLU A 61 -40.877 -1.138 21.617 1.00 13.13 N ATOM 1000 CA GLU A 61 -40.294 0.043 20.991 1.00 73.22 C ATOM 1001 C GLU A 61 -39.015 -0.315 20.240 1.00 71.42 C ATOM 1002 O GLU A 61 -38.493 0.485 19.464 1.00 55.14 O ATOM 1003 CB GLU A 61 -39.998 1.112 22.044 1.00 42.50 C ATOM 1004 CG GLU A 61 -38.904 2.084 21.634 1.00 64.40 C ATOM 1005 CD GLU A 61 -38.930 3.367 22.441 1.00 30.01 C ATOM 1006 OE1 GLU A 61 -38.687 3.303 23.665 1.00 63.35 O ATOM 1007 OE2 GLU A 61 -39.194 4.435 21.850 1.00 20.23 O ATOM 0 H GLU A 61 -40.275 -1.593 22.303 1.00 13.13 H new ATOM 0 HA GLU A 61 -41.016 0.438 20.276 1.00 73.22 H new ATOM 0 HB2 GLU A 61 -40.911 1.671 22.249 1.00 42.50 H new ATOM 0 HB3 GLU A 61 -39.708 0.623 22.974 1.00 42.50 H new ATOM 0 HG2 GLU A 61 -37.933 1.604 21.754 1.00 64.40 H new ATOM 0 HG3 GLU A 61 -39.013 2.323 20.576 1.00 64.40 H new ATOM 1014 N SER A 62 -38.515 -1.524 20.477 1.00 11.23 N ATOM 1015 CA SER A 62 -37.295 -1.987 19.827 1.00 22.45 C ATOM 1016 C SER A 62 -36.323 -0.832 19.609 1.00 41.21 C ATOM 1017 O SER A 62 -36.344 -0.177 18.567 1.00 15.30 O ATOM 1018 CB SER A 62 -37.625 -2.651 18.489 1.00 10.01 C ATOM 1019 OG SER A 62 -37.149 -3.985 18.450 1.00 34.34 O ATOM 0 H SER A 62 -38.936 -2.200 21.114 1.00 11.23 H new ATOM 0 HA SER A 62 -36.820 -2.719 20.480 1.00 22.45 H new ATOM 0 HB2 SER A 62 -38.703 -2.642 18.331 1.00 10.01 H new ATOM 0 HB3 SER A 62 -37.179 -2.079 17.676 1.00 10.01 H new ATOM 0 HG SER A 62 -37.692 -4.508 17.824 1.00 34.34 H new ATOM 1025 N SER A 63 -35.471 -0.588 20.600 1.00 52.32 N ATOM 1026 CA SER A 63 -34.493 0.491 20.519 1.00 74.00 C ATOM 1027 C SER A 63 -33.072 -0.057 20.605 1.00 0.32 C ATOM 1028 O SER A 63 -32.717 -0.742 21.565 1.00 64.15 O ATOM 1029 CB SER A 63 -34.729 1.507 21.638 1.00 34.23 C ATOM 1030 OG SER A 63 -34.031 1.140 22.815 1.00 4.33 O ATOM 0 H SER A 63 -35.438 -1.123 21.468 1.00 52.32 H new ATOM 0 HA SER A 63 -34.615 0.987 19.556 1.00 74.00 H new ATOM 0 HB2 SER A 63 -34.404 2.495 21.311 1.00 34.23 H new ATOM 0 HB3 SER A 63 -35.796 1.577 21.851 1.00 34.23 H new ATOM 0 HG SER A 63 -33.665 0.237 22.710 1.00 4.33 H new ATOM 1036 N ILE A 64 -32.264 0.251 19.596 1.00 31.32 N ATOM 1037 CA ILE A 64 -30.881 -0.209 19.558 1.00 75.22 C ATOM 1038 C ILE A 64 -29.940 0.913 19.133 1.00 74.13 C ATOM 1039 O ILE A 64 -30.216 1.643 18.180 1.00 14.01 O ATOM 1040 CB ILE A 64 -30.711 -1.399 18.596 1.00 64.55 C ATOM 1041 CG1 ILE A 64 -31.691 -2.518 18.954 1.00 20.22 C ATOM 1042 CG2 ILE A 64 -29.278 -1.911 18.634 1.00 12.53 C ATOM 1043 CD1 ILE A 64 -31.526 -3.761 18.107 1.00 0.34 C ATOM 0 H ILE A 64 -32.543 0.817 18.794 1.00 31.32 H new ATOM 0 HA ILE A 64 -30.627 -0.530 20.568 1.00 75.22 H new ATOM 0 HB ILE A 64 -30.929 -1.061 17.583 1.00 64.55 H new ATOM 0 HG12 ILE A 64 -31.559 -2.783 20.003 1.00 20.22 H new ATOM 0 HG13 ILE A 64 -32.710 -2.146 18.844 1.00 20.22 H new ATOM 0 HG21 ILE A 64 -29.174 -2.752 17.949 1.00 12.53 H new ATOM 0 HG22 ILE A 64 -28.598 -1.113 18.335 1.00 12.53 H new ATOM 0 HG23 ILE A 64 -29.034 -2.235 19.646 1.00 12.53 H new ATOM 0 HD11 ILE A 64 -32.253 -4.511 18.417 1.00 0.34 H new ATOM 0 HD12 ILE A 64 -31.687 -3.511 17.058 1.00 0.34 H new ATOM 0 HD13 ILE A 64 -30.519 -4.157 18.235 1.00 0.34 H new ATOM 1055 N THR A 65 -28.825 1.044 19.845 1.00 53.44 N ATOM 1056 CA THR A 65 -27.842 2.077 19.541 1.00 32.44 C ATOM 1057 C THR A 65 -26.688 1.513 18.721 1.00 21.51 C ATOM 1058 O THR A 65 -25.919 0.679 19.203 1.00 53.21 O ATOM 1059 CB THR A 65 -27.281 2.713 20.827 1.00 22.30 C ATOM 1060 OG1 THR A 65 -28.354 3.185 21.649 1.00 40.31 O ATOM 1061 CG2 THR A 65 -26.344 3.864 20.496 1.00 4.42 C ATOM 0 H THR A 65 -28.580 0.448 20.636 1.00 53.44 H new ATOM 0 HA THR A 65 -28.356 2.843 18.960 1.00 32.44 H new ATOM 0 HB THR A 65 -26.719 1.952 21.368 1.00 22.30 H new ATOM 0 HG1 THR A 65 -27.989 3.586 22.465 1.00 40.31 H new ATOM 0 HG21 THR A 65 -25.960 4.298 21.419 1.00 4.42 H new ATOM 0 HG22 THR A 65 -25.513 3.495 19.895 1.00 4.42 H new ATOM 0 HG23 THR A 65 -26.887 4.625 19.936 1.00 4.42 H new ATOM 1069 N LEU A 66 -26.570 1.972 17.480 1.00 35.41 N ATOM 1070 CA LEU A 66 -25.508 1.513 16.592 1.00 61.11 C ATOM 1071 C LEU A 66 -24.311 2.457 16.642 1.00 51.23 C ATOM 1072 O LEU A 66 -24.386 3.597 16.181 1.00 34.22 O ATOM 1073 CB LEU A 66 -26.027 1.404 15.157 1.00 0.31 C ATOM 1074 CG LEU A 66 -26.026 0.002 14.547 1.00 1.03 C ATOM 1075 CD1 LEU A 66 -26.519 -1.020 15.559 1.00 34.41 C ATOM 1076 CD2 LEU A 66 -26.882 -0.033 13.290 1.00 61.33 C ATOM 0 H LEU A 66 -27.197 2.662 17.066 1.00 35.41 H new ATOM 0 HA LEU A 66 -25.185 0.528 16.930 1.00 61.11 H new ATOM 0 HB2 LEU A 66 -27.046 1.789 15.130 1.00 0.31 H new ATOM 0 HB3 LEU A 66 -25.424 2.054 14.524 1.00 0.31 H new ATOM 0 HG LEU A 66 -25.003 -0.254 14.272 1.00 1.03 H new ATOM 0 HD11 LEU A 66 -26.512 -2.012 15.107 1.00 34.41 H new ATOM 0 HD12 LEU A 66 -25.865 -1.013 16.431 1.00 34.41 H new ATOM 0 HD13 LEU A 66 -27.534 -0.768 15.865 1.00 34.41 H new ATOM 0 HD21 LEU A 66 -26.870 -1.038 12.869 1.00 61.33 H new ATOM 0 HD22 LEU A 66 -27.906 0.243 13.540 1.00 61.33 H new ATOM 0 HD23 LEU A 66 -26.484 0.671 12.559 1.00 61.33 H new ATOM 1088 N HIS A 67 -23.206 1.975 17.202 1.00 72.13 N ATOM 1089 CA HIS A 67 -21.991 2.775 17.309 1.00 14.20 C ATOM 1090 C HIS A 67 -20.966 2.349 16.263 1.00 61.01 C ATOM 1091 O HIS A 67 -20.421 1.247 16.326 1.00 23.12 O ATOM 1092 CB HIS A 67 -21.392 2.646 18.710 1.00 54.02 C ATOM 1093 CG HIS A 67 -19.906 2.829 18.745 1.00 53.41 C ATOM 1094 ND1 HIS A 67 -19.289 4.030 18.463 1.00 33.02 N ATOM 1095 CD2 HIS A 67 -18.913 1.956 19.033 1.00 51.13 C ATOM 1096 CE1 HIS A 67 -17.981 3.887 18.574 1.00 22.34 C ATOM 1097 NE2 HIS A 67 -17.726 2.637 18.920 1.00 52.54 N ATOM 0 H HIS A 67 -23.127 1.034 17.589 1.00 72.13 H new ATOM 0 HA HIS A 67 -22.255 3.817 17.130 1.00 14.20 H new ATOM 0 HB2 HIS A 67 -21.856 3.384 19.364 1.00 54.02 H new ATOM 0 HB3 HIS A 67 -21.638 1.663 19.113 1.00 54.02 H new ATOM 0 HD2 HIS A 67 -19.032 0.917 19.302 1.00 51.13 H new ATOM 0 HE1 HIS A 67 -17.245 4.660 18.410 1.00 22.34 H new ATOM 0 HE2 HIS A 67 -16.799 2.243 19.077 1.00 52.54 H new ATOM 1105 N PHE A 68 -20.708 3.229 15.301 1.00 74.21 N ATOM 1106 CA PHE A 68 -19.750 2.943 14.240 1.00 63.11 C ATOM 1107 C PHE A 68 -18.438 3.685 14.478 1.00 41.23 C ATOM 1108 O PHE A 68 -18.434 4.842 14.898 1.00 33.20 O ATOM 1109 CB PHE A 68 -20.331 3.334 12.880 1.00 64.15 C ATOM 1110 CG PHE A 68 -21.737 3.856 12.956 1.00 41.01 C ATOM 1111 CD1 PHE A 68 -21.983 5.171 13.315 1.00 11.30 C ATOM 1112 CD2 PHE A 68 -22.813 3.031 12.669 1.00 3.21 C ATOM 1113 CE1 PHE A 68 -23.276 5.655 13.386 1.00 41.21 C ATOM 1114 CE2 PHE A 68 -24.107 3.509 12.738 1.00 55.52 C ATOM 1115 CZ PHE A 68 -24.340 4.823 13.098 1.00 65.41 C ATOM 0 H PHE A 68 -21.149 4.146 15.235 1.00 74.21 H new ATOM 0 HA PHE A 68 -19.548 1.872 14.246 1.00 63.11 H new ATOM 0 HB2 PHE A 68 -19.694 4.094 12.427 1.00 64.15 H new ATOM 0 HB3 PHE A 68 -20.310 2.466 12.222 1.00 64.15 H new ATOM 0 HD1 PHE A 68 -21.155 5.826 13.542 1.00 11.30 H new ATOM 0 HD2 PHE A 68 -22.638 2.003 12.388 1.00 3.21 H new ATOM 0 HE1 PHE A 68 -23.454 6.683 13.666 1.00 41.21 H new ATOM 0 HE2 PHE A 68 -24.937 2.856 12.511 1.00 55.52 H new ATOM 0 HZ PHE A 68 -25.351 5.198 13.154 1.00 65.41 H new ATOM 1125 N ALA A 69 -17.326 3.011 14.206 1.00 25.41 N ATOM 1126 CA ALA A 69 -16.007 3.606 14.389 1.00 75.54 C ATOM 1127 C ALA A 69 -15.203 3.565 13.094 1.00 42.00 C ATOM 1128 O ALA A 69 -14.879 2.492 12.587 1.00 74.54 O ATOM 1129 CB ALA A 69 -15.256 2.891 15.502 1.00 3.31 C ATOM 0 H ALA A 69 -17.312 2.052 13.858 1.00 25.41 H new ATOM 0 HA ALA A 69 -16.142 4.651 14.670 1.00 75.54 H new ATOM 0 HB1 ALA A 69 -14.273 3.345 15.628 1.00 3.31 H new ATOM 0 HB2 ALA A 69 -15.817 2.976 16.433 1.00 3.31 H new ATOM 0 HB3 ALA A 69 -15.139 1.838 15.244 1.00 3.31 H new ATOM 1135 N MET A 70 -14.883 4.741 12.564 1.00 14.32 N ATOM 1136 CA MET A 70 -14.116 4.839 11.328 1.00 3.12 C ATOM 1137 C MET A 70 -12.629 4.623 11.593 1.00 71.10 C ATOM 1138 O MET A 70 -12.164 4.753 12.726 1.00 61.11 O ATOM 1139 CB MET A 70 -14.336 6.204 10.673 1.00 63.13 C ATOM 1140 CG MET A 70 -15.779 6.677 10.725 1.00 51.42 C ATOM 1141 SD MET A 70 -16.478 6.957 9.086 1.00 30.23 S ATOM 1142 CE MET A 70 -18.217 7.123 9.484 1.00 44.04 C ATOM 0 H MET A 70 -15.143 5.639 12.971 1.00 14.32 H new ATOM 0 HA MET A 70 -14.464 4.059 10.651 1.00 3.12 H new ATOM 0 HB2 MET A 70 -13.703 6.941 11.167 1.00 63.13 H new ATOM 0 HB3 MET A 70 -14.016 6.154 9.632 1.00 63.13 H new ATOM 0 HG2 MET A 70 -16.381 5.936 11.251 1.00 51.42 H new ATOM 0 HG3 MET A 70 -15.834 7.600 11.302 1.00 51.42 H new ATOM 0 HE1 MET A 70 -18.808 6.528 8.788 1.00 44.04 H new ATOM 0 HE2 MET A 70 -18.393 6.772 10.501 1.00 44.04 H new ATOM 0 HE3 MET A 70 -18.510 8.170 9.406 1.00 44.04 H new ATOM 1152 N THR A 71 -11.887 4.292 10.541 1.00 60.32 N ATOM 1153 CA THR A 71 -10.454 4.056 10.660 1.00 3.01 C ATOM 1154 C THR A 71 -9.660 5.070 9.844 1.00 20.12 C ATOM 1155 O THR A 71 -10.183 5.719 8.938 1.00 44.20 O ATOM 1156 CB THR A 71 -10.078 2.635 10.199 1.00 44.44 C ATOM 1157 OG1 THR A 71 -11.098 2.113 9.341 1.00 60.24 O ATOM 1158 CG2 THR A 71 -9.889 1.711 11.392 1.00 60.11 C ATOM 0 H THR A 71 -12.255 4.181 9.596 1.00 60.32 H new ATOM 0 HA THR A 71 -10.202 4.166 11.715 1.00 3.01 H new ATOM 0 HB THR A 71 -9.137 2.691 9.652 1.00 44.44 H new ATOM 0 HG1 THR A 71 -10.695 1.810 8.501 1.00 60.24 H new ATOM 0 HG21 THR A 71 -9.624 0.714 11.041 1.00 60.11 H new ATOM 0 HG22 THR A 71 -9.091 2.096 12.028 1.00 60.11 H new ATOM 0 HG23 THR A 71 -10.816 1.660 11.963 1.00 60.11 H new ATOM 1166 N PRO A 72 -8.367 5.211 10.170 1.00 25.42 N ATOM 1167 CA PRO A 72 -7.473 6.144 9.478 1.00 64.31 C ATOM 1168 C PRO A 72 -7.166 5.702 8.051 1.00 51.10 C ATOM 1169 O PRO A 72 -6.386 6.343 7.347 1.00 13.11 O ATOM 1170 CB PRO A 72 -6.202 6.116 10.331 1.00 42.32 C ATOM 1171 CG PRO A 72 -6.226 4.788 11.004 1.00 33.34 C ATOM 1172 CD PRO A 72 -7.677 4.469 11.239 1.00 0.24 C ATOM 0 HA PRO A 72 -7.915 7.135 9.380 1.00 64.31 H new ATOM 0 HB2 PRO A 72 -5.310 6.232 9.716 1.00 42.32 H new ATOM 0 HB3 PRO A 72 -6.195 6.928 11.058 1.00 42.32 H new ATOM 0 HG2 PRO A 72 -5.755 4.027 10.382 1.00 33.34 H new ATOM 0 HG3 PRO A 72 -5.676 4.817 11.944 1.00 33.34 H new ATOM 0 HD2 PRO A 72 -7.869 3.398 11.173 1.00 0.24 H new ATOM 0 HD3 PRO A 72 -8.004 4.791 12.228 1.00 0.24 H new ATOM 1180 N MET A 73 -7.785 4.604 7.631 1.00 60.35 N ATOM 1181 CA MET A 73 -7.579 4.078 6.286 1.00 62.00 C ATOM 1182 C MET A 73 -8.900 3.985 5.530 1.00 73.10 C ATOM 1183 O MET A 73 -8.926 4.014 4.299 1.00 22.53 O ATOM 1184 CB MET A 73 -6.916 2.700 6.350 1.00 53.40 C ATOM 1185 CG MET A 73 -5.503 2.731 6.909 1.00 11.11 C ATOM 1186 SD MET A 73 -4.307 1.940 5.817 1.00 63.42 S ATOM 1187 CE MET A 73 -4.584 2.846 4.297 1.00 34.11 C ATOM 0 H MET A 73 -8.433 4.061 8.202 1.00 60.35 H new ATOM 0 HA MET A 73 -6.923 4.765 5.751 1.00 62.00 H new ATOM 0 HB2 MET A 73 -7.527 2.040 6.966 1.00 53.40 H new ATOM 0 HB3 MET A 73 -6.892 2.270 5.349 1.00 53.40 H new ATOM 0 HG2 MET A 73 -5.206 3.766 7.078 1.00 11.11 H new ATOM 0 HG3 MET A 73 -5.489 2.233 7.878 1.00 11.11 H new ATOM 0 HE1 MET A 73 -4.944 2.164 3.527 1.00 34.11 H new ATOM 0 HE2 MET A 73 -5.327 3.625 4.468 1.00 34.11 H new ATOM 0 HE3 MET A 73 -3.650 3.302 3.970 1.00 34.11 H new ATOM 1197 N TYR A 74 -9.995 3.873 6.274 1.00 54.35 N ATOM 1198 CA TYR A 74 -11.320 3.773 5.673 1.00 52.31 C ATOM 1199 C TYR A 74 -11.505 4.825 4.583 1.00 61.52 C ATOM 1200 O TYR A 74 -10.931 5.913 4.630 1.00 64.42 O ATOM 1201 CB TYR A 74 -12.402 3.936 6.742 1.00 24.03 C ATOM 1202 CG TYR A 74 -13.686 4.538 6.218 1.00 22.12 C ATOM 1203 CD1 TYR A 74 -13.720 5.842 5.741 1.00 53.52 C ATOM 1204 CD2 TYR A 74 -14.865 3.803 6.201 1.00 23.11 C ATOM 1205 CE1 TYR A 74 -14.891 6.397 5.262 1.00 54.04 C ATOM 1206 CE2 TYR A 74 -16.040 4.349 5.722 1.00 21.34 C ATOM 1207 CZ TYR A 74 -16.048 5.646 5.254 1.00 53.00 C ATOM 1208 OH TYR A 74 -17.217 6.194 4.778 1.00 73.14 O ATOM 0 H TYR A 74 -9.991 3.849 7.294 1.00 54.35 H new ATOM 0 HA TYR A 74 -11.411 2.786 5.220 1.00 52.31 H new ATOM 0 HB2 TYR A 74 -12.619 2.961 7.178 1.00 24.03 H new ATOM 0 HB3 TYR A 74 -12.016 4.565 7.544 1.00 24.03 H new ATOM 0 HD1 TYR A 74 -12.816 6.432 5.745 1.00 53.52 H new ATOM 0 HD2 TYR A 74 -14.863 2.787 6.569 1.00 23.11 H new ATOM 0 HE1 TYR A 74 -14.900 7.413 4.896 1.00 54.04 H new ATOM 0 HE2 TYR A 74 -16.947 3.763 5.714 1.00 21.34 H new ATOM 0 HH TYR A 74 -17.969 5.889 5.328 1.00 73.14 H new ATOM 1218 N PRO A 75 -12.327 4.493 3.576 1.00 1.10 N ATOM 1219 CA PRO A 75 -13.016 3.201 3.509 1.00 25.20 C ATOM 1220 C PRO A 75 -12.057 2.047 3.236 1.00 20.43 C ATOM 1221 O PRO A 75 -12.433 0.878 3.335 1.00 4.33 O ATOM 1222 CB PRO A 75 -13.987 3.377 2.339 1.00 31.23 C ATOM 1223 CG PRO A 75 -13.365 4.426 1.485 1.00 41.53 C ATOM 1224 CD PRO A 75 -12.647 5.354 2.425 1.00 10.43 C ATOM 0 HA PRO A 75 -13.503 2.949 4.451 1.00 25.20 H new ATOM 0 HB2 PRO A 75 -14.117 2.445 1.789 1.00 31.23 H new ATOM 0 HB3 PRO A 75 -14.974 3.683 2.686 1.00 31.23 H new ATOM 0 HG2 PRO A 75 -12.673 3.985 0.768 1.00 41.53 H new ATOM 0 HG3 PRO A 75 -14.122 4.961 0.911 1.00 41.53 H new ATOM 0 HD2 PRO A 75 -11.747 5.769 1.971 1.00 10.43 H new ATOM 0 HD3 PRO A 75 -13.275 6.196 2.716 1.00 10.43 H new ATOM 1232 N TYR A 76 -10.818 2.381 2.893 1.00 12.30 N ATOM 1233 CA TYR A 76 -9.806 1.372 2.604 1.00 11.21 C ATOM 1234 C TYR A 76 -10.002 0.138 3.479 1.00 1.13 C ATOM 1235 O TYR A 76 -9.953 -0.994 2.998 1.00 71.42 O ATOM 1236 CB TYR A 76 -8.406 1.948 2.821 1.00 64.25 C ATOM 1237 CG TYR A 76 -7.314 1.161 2.130 1.00 53.40 C ATOM 1238 CD1 TYR A 76 -7.022 1.372 0.788 1.00 54.11 C ATOM 1239 CD2 TYR A 76 -6.576 0.207 2.819 1.00 50.22 C ATOM 1240 CE1 TYR A 76 -6.027 0.656 0.152 1.00 22.44 C ATOM 1241 CE2 TYR A 76 -5.578 -0.513 2.192 1.00 43.10 C ATOM 1242 CZ TYR A 76 -5.307 -0.285 0.859 1.00 61.42 C ATOM 1243 OH TYR A 76 -4.314 -1.002 0.230 1.00 12.33 O ATOM 0 H TYR A 76 -10.490 3.343 2.808 1.00 12.30 H new ATOM 0 HA TYR A 76 -9.912 1.075 1.560 1.00 11.21 H new ATOM 0 HB2 TYR A 76 -8.385 2.976 2.460 1.00 64.25 H new ATOM 0 HB3 TYR A 76 -8.197 1.981 3.890 1.00 64.25 H new ATOM 0 HD1 TYR A 76 -7.583 2.109 0.233 1.00 54.11 H new ATOM 0 HD2 TYR A 76 -6.786 0.025 3.863 1.00 50.22 H new ATOM 0 HE1 TYR A 76 -5.814 0.832 -0.892 1.00 22.44 H new ATOM 0 HE2 TYR A 76 -5.013 -1.251 2.743 1.00 43.10 H new ATOM 0 HH TYR A 76 -3.904 -1.622 0.868 1.00 12.33 H new ATOM 1253 N THR A 77 -10.225 0.365 4.770 1.00 4.32 N ATOM 1254 CA THR A 77 -10.428 -0.726 5.714 1.00 25.15 C ATOM 1255 C THR A 77 -11.880 -0.795 6.171 1.00 73.32 C ATOM 1256 O THR A 77 -12.694 0.056 5.814 1.00 11.10 O ATOM 1257 CB THR A 77 -9.520 -0.576 6.950 1.00 62.21 C ATOM 1258 OG1 THR A 77 -9.971 0.516 7.759 1.00 24.54 O ATOM 1259 CG2 THR A 77 -8.075 -0.343 6.535 1.00 60.53 C ATOM 0 H THR A 77 -10.269 1.296 5.185 1.00 4.32 H new ATOM 0 HA THR A 77 -10.170 -1.647 5.192 1.00 25.15 H new ATOM 0 HB THR A 77 -9.572 -1.500 7.526 1.00 62.21 H new ATOM 0 HG1 THR A 77 -9.313 0.696 8.462 1.00 24.54 H new ATOM 0 HG21 THR A 77 -7.453 -0.240 7.424 1.00 60.53 H new ATOM 0 HG22 THR A 77 -7.725 -1.189 5.944 1.00 60.53 H new ATOM 0 HG23 THR A 77 -8.010 0.568 5.939 1.00 60.53 H new ATOM 1267 N ALA A 78 -12.199 -1.814 6.962 1.00 32.24 N ATOM 1268 CA ALA A 78 -13.554 -1.992 7.470 1.00 61.52 C ATOM 1269 C ALA A 78 -13.670 -1.503 8.910 1.00 63.45 C ATOM 1270 O ALA A 78 -12.896 -1.890 9.786 1.00 35.10 O ATOM 1271 CB ALA A 78 -13.966 -3.454 7.372 1.00 11.21 C ATOM 0 H ALA A 78 -11.538 -2.529 7.265 1.00 32.24 H new ATOM 0 HA ALA A 78 -14.227 -1.394 6.856 1.00 61.52 H new ATOM 0 HB1 ALA A 78 -14.980 -3.573 7.755 1.00 11.21 H new ATOM 0 HB2 ALA A 78 -13.932 -3.773 6.330 1.00 11.21 H new ATOM 0 HB3 ALA A 78 -13.282 -4.065 7.961 1.00 11.21 H new ATOM 1277 N PRO A 79 -14.658 -0.632 9.162 1.00 45.34 N ATOM 1278 CA PRO A 79 -14.897 -0.071 10.495 1.00 53.25 C ATOM 1279 C PRO A 79 -15.433 -1.111 11.473 1.00 5.52 C ATOM 1280 O PRO A 79 -15.428 -2.307 11.185 1.00 1.22 O ATOM 1281 CB PRO A 79 -15.947 1.014 10.239 1.00 31.44 C ATOM 1282 CG PRO A 79 -16.650 0.577 9.001 1.00 62.33 C ATOM 1283 CD PRO A 79 -15.617 -0.127 8.165 1.00 43.02 C ATOM 0 HA PRO A 79 -13.980 0.303 10.951 1.00 53.25 H new ATOM 0 HB2 PRO A 79 -16.639 1.101 11.077 1.00 31.44 H new ATOM 0 HB3 PRO A 79 -15.482 1.991 10.106 1.00 31.44 H new ATOM 0 HG2 PRO A 79 -17.480 -0.089 9.238 1.00 62.33 H new ATOM 0 HG3 PRO A 79 -17.068 1.431 8.468 1.00 62.33 H new ATOM 0 HD2 PRO A 79 -16.055 -0.937 7.583 1.00 43.02 H new ATOM 0 HD3 PRO A 79 -15.141 0.552 7.458 1.00 43.02 H new ATOM 1291 N GLU A 80 -15.893 -0.646 12.630 1.00 14.43 N ATOM 1292 CA GLU A 80 -16.432 -1.537 13.651 1.00 4.00 C ATOM 1293 C GLU A 80 -17.801 -1.058 14.124 1.00 31.31 C ATOM 1294 O GLU A 80 -18.032 0.142 14.276 1.00 75.43 O ATOM 1295 CB GLU A 80 -15.472 -1.626 14.839 1.00 22.23 C ATOM 1296 CG GLU A 80 -16.122 -2.150 16.109 1.00 50.31 C ATOM 1297 CD GLU A 80 -15.345 -3.292 16.734 1.00 71.11 C ATOM 1298 OE1 GLU A 80 -14.805 -4.126 15.977 1.00 53.13 O ATOM 1299 OE2 GLU A 80 -15.277 -3.353 17.979 1.00 2.22 O ATOM 0 H GLU A 80 -15.903 0.342 12.884 1.00 14.43 H new ATOM 0 HA GLU A 80 -16.546 -2.527 13.210 1.00 4.00 H new ATOM 0 HB2 GLU A 80 -14.638 -2.275 14.573 1.00 22.23 H new ATOM 0 HB3 GLU A 80 -15.057 -0.637 15.035 1.00 22.23 H new ATOM 0 HG2 GLU A 80 -16.209 -1.337 16.830 1.00 50.31 H new ATOM 0 HG3 GLU A 80 -17.134 -2.485 15.883 1.00 50.31 H new ATOM 1306 N ILE A 81 -18.705 -2.005 14.355 1.00 42.31 N ATOM 1307 CA ILE A 81 -20.051 -1.680 14.811 1.00 64.20 C ATOM 1308 C ILE A 81 -20.426 -2.497 16.043 1.00 65.22 C ATOM 1309 O ILE A 81 -19.983 -3.634 16.203 1.00 33.22 O ATOM 1310 CB ILE A 81 -21.095 -1.929 13.706 1.00 24.25 C ATOM 1311 CG1 ILE A 81 -20.521 -1.556 12.338 1.00 4.32 C ATOM 1312 CG2 ILE A 81 -22.363 -1.138 13.989 1.00 71.14 C ATOM 1313 CD1 ILE A 81 -20.451 -0.064 12.099 1.00 51.30 C ATOM 0 H ILE A 81 -18.530 -3.002 14.234 1.00 42.31 H new ATOM 0 HA ILE A 81 -20.051 -0.620 15.067 1.00 64.20 H new ATOM 0 HB ILE A 81 -21.346 -2.990 13.696 1.00 24.25 H new ATOM 0 HG12 ILE A 81 -19.520 -1.978 12.245 1.00 4.32 H new ATOM 0 HG13 ILE A 81 -21.133 -2.012 11.560 1.00 4.32 H new ATOM 0 HG21 ILE A 81 -23.092 -1.324 13.200 1.00 71.14 H new ATOM 0 HG22 ILE A 81 -22.779 -1.448 14.947 1.00 71.14 H new ATOM 0 HG23 ILE A 81 -22.128 -0.074 14.023 1.00 71.14 H new ATOM 0 HD11 ILE A 81 -20.034 0.127 11.110 1.00 51.30 H new ATOM 0 HD12 ILE A 81 -21.453 0.361 12.159 1.00 51.30 H new ATOM 0 HD13 ILE A 81 -19.815 0.396 12.855 1.00 51.30 H new ATOM 1325 N GLU A 82 -21.245 -1.910 16.909 1.00 0.51 N ATOM 1326 CA GLU A 82 -21.680 -2.584 18.126 1.00 32.23 C ATOM 1327 C GLU A 82 -23.092 -2.152 18.513 1.00 4.21 C ATOM 1328 O GLU A 82 -23.463 -0.989 18.351 1.00 20.15 O ATOM 1329 CB GLU A 82 -20.712 -2.289 19.274 1.00 40.33 C ATOM 1330 CG GLU A 82 -21.158 -1.143 20.167 1.00 62.04 C ATOM 1331 CD GLU A 82 -20.171 -0.854 21.281 1.00 34.24 C ATOM 1332 OE1 GLU A 82 -19.548 -1.812 21.786 1.00 54.51 O ATOM 1333 OE2 GLU A 82 -20.022 0.330 21.649 1.00 55.11 O ATOM 0 H GLU A 82 -21.621 -0.969 16.790 1.00 0.51 H new ATOM 0 HA GLU A 82 -21.687 -3.657 17.933 1.00 32.23 H new ATOM 0 HB2 GLU A 82 -20.596 -3.187 19.880 1.00 40.33 H new ATOM 0 HB3 GLU A 82 -19.731 -2.055 18.860 1.00 40.33 H new ATOM 0 HG2 GLU A 82 -21.290 -0.246 19.562 1.00 62.04 H new ATOM 0 HG3 GLU A 82 -22.129 -1.381 20.600 1.00 62.04 H new ATOM 1340 N PHE A 83 -23.874 -3.096 19.024 1.00 32.34 N ATOM 1341 CA PHE A 83 -25.245 -2.815 19.433 1.00 13.42 C ATOM 1342 C PHE A 83 -25.331 -2.607 20.942 1.00 33.45 C ATOM 1343 O PHE A 83 -24.700 -3.327 21.717 1.00 43.32 O ATOM 1344 CB PHE A 83 -26.171 -3.957 19.010 1.00 20.23 C ATOM 1345 CG PHE A 83 -25.902 -4.464 17.622 1.00 20.23 C ATOM 1346 CD1 PHE A 83 -26.503 -3.869 16.525 1.00 62.23 C ATOM 1347 CD2 PHE A 83 -25.048 -5.535 17.415 1.00 20.42 C ATOM 1348 CE1 PHE A 83 -26.258 -4.334 15.247 1.00 64.44 C ATOM 1349 CE2 PHE A 83 -24.799 -6.005 16.139 1.00 5.32 C ATOM 1350 CZ PHE A 83 -25.403 -5.403 15.053 1.00 15.44 C ATOM 0 H PHE A 83 -23.582 -4.063 19.165 1.00 32.34 H new ATOM 0 HA PHE A 83 -25.564 -1.897 18.939 1.00 13.42 H new ATOM 0 HB2 PHE A 83 -26.065 -4.781 19.716 1.00 20.23 H new ATOM 0 HB3 PHE A 83 -27.205 -3.617 19.070 1.00 20.23 H new ATOM 0 HD1 PHE A 83 -27.170 -3.032 16.670 1.00 62.23 H new ATOM 0 HD2 PHE A 83 -24.571 -6.008 18.261 1.00 20.42 H new ATOM 0 HE1 PHE A 83 -26.734 -3.863 14.400 1.00 64.44 H new ATOM 0 HE2 PHE A 83 -24.133 -6.842 15.992 1.00 5.32 H new ATOM 0 HZ PHE A 83 -25.208 -5.766 14.055 1.00 15.44 H new ATOM 1360 N LYS A 84 -26.117 -1.618 21.354 1.00 72.30 N ATOM 1361 CA LYS A 84 -26.288 -1.315 22.770 1.00 51.42 C ATOM 1362 C LYS A 84 -27.765 -1.307 23.150 1.00 12.41 C ATOM 1363 O LYS A 84 -28.639 -1.361 22.285 1.00 25.04 O ATOM 1364 CB LYS A 84 -25.658 0.040 23.102 1.00 63.13 C ATOM 1365 CG LYS A 84 -24.457 0.380 22.237 1.00 44.14 C ATOM 1366 CD LYS A 84 -23.302 -0.575 22.485 1.00 24.44 C ATOM 1367 CE LYS A 84 -23.107 -0.840 23.971 1.00 40.34 C ATOM 1368 NZ LYS A 84 -21.879 -1.639 24.235 1.00 22.24 N ATOM 0 H LYS A 84 -26.646 -1.012 20.727 1.00 72.30 H new ATOM 0 HA LYS A 84 -25.787 -2.093 23.346 1.00 51.42 H new ATOM 0 HB2 LYS A 84 -26.411 0.820 22.986 1.00 63.13 H new ATOM 0 HB3 LYS A 84 -25.354 0.043 24.149 1.00 63.13 H new ATOM 0 HG2 LYS A 84 -24.742 0.342 21.186 1.00 44.14 H new ATOM 0 HG3 LYS A 84 -24.136 1.401 22.443 1.00 44.14 H new ATOM 0 HD2 LYS A 84 -23.489 -1.516 21.968 1.00 24.44 H new ATOM 0 HD3 LYS A 84 -22.387 -0.157 22.066 1.00 24.44 H new ATOM 0 HE2 LYS A 84 -23.045 0.109 24.504 1.00 40.34 H new ATOM 0 HE3 LYS A 84 -23.976 -1.369 24.363 1.00 40.34 H new ATOM 0 HZ1 LYS A 84 -21.782 -1.798 25.258 1.00 22.24 H new ATOM 0 HZ2 LYS A 84 -21.949 -2.555 23.747 1.00 22.24 H new ATOM 0 HZ3 LYS A 84 -21.047 -1.123 23.884 1.00 22.24 H new ATOM 1382 N ASN A 85 -28.037 -1.237 24.449 1.00 2.13 N ATOM 1383 CA ASN A 85 -29.409 -1.221 24.944 1.00 42.34 C ATOM 1384 C ASN A 85 -30.123 -2.527 24.610 1.00 63.02 C ATOM 1385 O ASN A 85 -30.362 -3.358 25.486 1.00 10.11 O ATOM 1386 CB ASN A 85 -30.175 -0.040 24.344 1.00 51.03 C ATOM 1387 CG ASN A 85 -29.582 1.297 24.743 1.00 3.21 C ATOM 1388 OD1 ASN A 85 -28.264 1.418 24.627 1.00 45.51 O flip ATOM 1389 ND2 ASN A 85 -30.300 2.210 25.151 1.00 14.10 N flip ATOM 0 H ASN A 85 -27.325 -1.190 25.178 1.00 2.13 H new ATOM 0 HA ASN A 85 -29.377 -1.112 26.028 1.00 42.34 H new ATOM 0 HB2 ASN A 85 -30.174 -0.125 23.257 1.00 51.03 H new ATOM 0 HB3 ASN A 85 -31.215 -0.084 24.667 1.00 51.03 H new ATOM 0 HD21 ASN A 85 -31.308 2.072 25.224 1.00 14.10 H new ATOM 0 HD22 ASN A 85 -29.887 3.104 25.416 1.00 14.10 H new ATOM 1396 N VAL A 86 -30.460 -2.702 23.336 1.00 71.00 N ATOM 1397 CA VAL A 86 -31.145 -3.908 22.885 1.00 0.42 C ATOM 1398 C VAL A 86 -32.124 -4.410 23.940 1.00 73.21 C ATOM 1399 O VAL A 86 -31.765 -5.213 24.801 1.00 14.20 O ATOM 1400 CB VAL A 86 -30.144 -5.030 22.553 1.00 75.52 C ATOM 1401 CG1 VAL A 86 -29.455 -4.756 21.225 1.00 4.43 C ATOM 1402 CG2 VAL A 86 -29.125 -5.183 23.671 1.00 21.33 C ATOM 0 H VAL A 86 -30.270 -2.024 22.598 1.00 71.00 H new ATOM 0 HA VAL A 86 -31.694 -3.642 21.982 1.00 0.42 H new ATOM 0 HB VAL A 86 -30.693 -5.967 22.463 1.00 75.52 H new ATOM 0 HG11 VAL A 86 -28.751 -5.560 21.007 1.00 4.43 H new ATOM 0 HG12 VAL A 86 -30.201 -4.702 20.432 1.00 4.43 H new ATOM 0 HG13 VAL A 86 -28.918 -3.809 21.282 1.00 4.43 H new ATOM 0 HG21 VAL A 86 -28.426 -5.980 23.419 1.00 21.33 H new ATOM 0 HG22 VAL A 86 -28.579 -4.248 23.796 1.00 21.33 H new ATOM 0 HG23 VAL A 86 -29.639 -5.431 24.600 1.00 21.33 H new ATOM 1412 N GLN A 87 -33.362 -3.933 23.865 1.00 14.33 N ATOM 1413 CA GLN A 87 -34.394 -4.334 24.815 1.00 61.15 C ATOM 1414 C GLN A 87 -35.225 -5.486 24.260 1.00 32.32 C ATOM 1415 O GLN A 87 -35.164 -6.607 24.764 1.00 13.22 O ATOM 1416 CB GLN A 87 -35.301 -3.148 25.146 1.00 54.04 C ATOM 1417 CG GLN A 87 -35.266 -2.045 24.100 1.00 12.45 C ATOM 1418 CD GLN A 87 -36.333 -0.992 24.327 1.00 1.33 C ATOM 1419 OE1 GLN A 87 -36.183 -0.112 25.176 1.00 32.53 O ATOM 1420 NE2 GLN A 87 -37.419 -1.075 23.567 1.00 24.22 N ATOM 0 H GLN A 87 -33.675 -3.269 23.157 1.00 14.33 H new ATOM 0 HA GLN A 87 -33.902 -4.671 25.727 1.00 61.15 H new ATOM 0 HB2 GLN A 87 -36.326 -3.504 25.253 1.00 54.04 H new ATOM 0 HB3 GLN A 87 -35.006 -2.733 26.110 1.00 54.04 H new ATOM 0 HG2 GLN A 87 -34.285 -1.571 24.110 1.00 12.45 H new ATOM 0 HG3 GLN A 87 -35.398 -2.483 23.111 1.00 12.45 H new ATOM 0 HE21 GLN A 87 -37.502 -1.820 22.876 1.00 24.22 H new ATOM 0 HE22 GLN A 87 -38.170 -0.393 23.675 1.00 24.22 H new ATOM 1429 N ASN A 88 -36.002 -5.202 23.220 1.00 62.13 N ATOM 1430 CA ASN A 88 -36.847 -6.215 22.597 1.00 24.13 C ATOM 1431 C ASN A 88 -36.045 -7.062 21.614 1.00 71.33 C ATOM 1432 O ASN A 88 -36.525 -7.395 20.530 1.00 44.13 O ATOM 1433 CB ASN A 88 -38.024 -5.555 21.877 1.00 12.23 C ATOM 1434 CG ASN A 88 -38.922 -6.565 21.190 1.00 21.50 C ATOM 1435 OD1 ASN A 88 -39.030 -6.583 19.964 1.00 72.42 O ATOM 1436 ND2 ASN A 88 -39.571 -7.413 21.980 1.00 72.14 N ATOM 0 H ASN A 88 -36.064 -4.279 22.791 1.00 62.13 H new ATOM 0 HA ASN A 88 -37.230 -6.866 23.383 1.00 24.13 H new ATOM 0 HB2 ASN A 88 -38.610 -4.981 22.595 1.00 12.23 H new ATOM 0 HB3 ASN A 88 -37.645 -4.849 21.138 1.00 12.23 H new ATOM 0 HD21 ASN A 88 -40.189 -8.116 21.575 1.00 72.14 H new ATOM 0 HD22 ASN A 88 -39.451 -7.361 22.992 1.00 72.14 H new ATOM 1443 N VAL A 89 -34.821 -7.409 22.000 1.00 73.00 N ATOM 1444 CA VAL A 89 -33.953 -8.219 21.154 1.00 73.03 C ATOM 1445 C VAL A 89 -33.316 -9.354 21.947 1.00 34.50 C ATOM 1446 O VAL A 89 -33.067 -9.224 23.145 1.00 22.30 O ATOM 1447 CB VAL A 89 -32.841 -7.368 20.513 1.00 3.23 C ATOM 1448 CG1 VAL A 89 -32.160 -8.136 19.391 1.00 41.13 C ATOM 1449 CG2 VAL A 89 -33.405 -6.051 20.003 1.00 12.52 C ATOM 0 H VAL A 89 -34.408 -7.141 22.894 1.00 73.00 H new ATOM 0 HA VAL A 89 -34.580 -8.637 20.366 1.00 73.03 H new ATOM 0 HB VAL A 89 -32.093 -7.146 21.274 1.00 3.23 H new ATOM 0 HG11 VAL A 89 -31.377 -7.519 18.950 1.00 41.13 H new ATOM 0 HG12 VAL A 89 -31.720 -9.050 19.790 1.00 41.13 H new ATOM 0 HG13 VAL A 89 -32.894 -8.391 18.627 1.00 41.13 H new ATOM 0 HG21 VAL A 89 -32.605 -5.463 19.553 1.00 12.52 H new ATOM 0 HG22 VAL A 89 -34.174 -6.249 19.256 1.00 12.52 H new ATOM 0 HG23 VAL A 89 -33.841 -5.496 20.834 1.00 12.52 H new ATOM 1459 N MET A 90 -33.055 -10.468 21.270 1.00 13.02 N ATOM 1460 CA MET A 90 -32.445 -11.627 21.912 1.00 13.30 C ATOM 1461 C MET A 90 -30.959 -11.713 21.578 1.00 33.44 C ATOM 1462 O MET A 90 -30.107 -11.505 22.442 1.00 44.14 O ATOM 1463 CB MET A 90 -33.154 -12.910 21.475 1.00 23.42 C ATOM 1464 CG MET A 90 -34.667 -12.782 21.424 1.00 55.44 C ATOM 1465 SD MET A 90 -35.366 -13.406 19.883 1.00 64.30 S ATOM 1466 CE MET A 90 -35.534 -11.888 18.948 1.00 74.23 C ATOM 0 H MET A 90 -33.256 -10.592 20.278 1.00 13.02 H new ATOM 0 HA MET A 90 -32.550 -11.512 22.991 1.00 13.30 H new ATOM 0 HB2 MET A 90 -32.789 -13.199 20.490 1.00 23.42 H new ATOM 0 HB3 MET A 90 -32.889 -13.714 22.162 1.00 23.42 H new ATOM 0 HG2 MET A 90 -35.102 -13.326 22.262 1.00 55.44 H new ATOM 0 HG3 MET A 90 -34.943 -11.735 21.546 1.00 55.44 H new ATOM 0 HE1 MET A 90 -36.020 -12.099 17.996 1.00 74.23 H new ATOM 0 HE2 MET A 90 -36.137 -11.177 19.513 1.00 74.23 H new ATOM 0 HE3 MET A 90 -34.547 -11.462 18.765 1.00 74.23 H new ATOM 1476 N ASP A 91 -30.657 -12.022 20.322 1.00 23.54 N ATOM 1477 CA ASP A 91 -29.273 -12.136 19.875 1.00 54.01 C ATOM 1478 C ASP A 91 -29.208 -12.434 18.380 1.00 35.13 C ATOM 1479 O ASP A 91 -28.401 -11.852 17.656 1.00 72.34 O ATOM 1480 CB ASP A 91 -28.550 -13.232 20.658 1.00 20.52 C ATOM 1481 CG ASP A 91 -28.973 -14.624 20.231 1.00 65.33 C ATOM 1482 OD1 ASP A 91 -28.362 -15.166 19.285 1.00 12.20 O ATOM 1483 OD2 ASP A 91 -29.913 -15.172 20.842 1.00 30.43 O ATOM 0 H ASP A 91 -31.351 -12.198 19.596 1.00 23.54 H new ATOM 0 HA ASP A 91 -28.778 -11.183 20.059 1.00 54.01 H new ATOM 0 HB2 ASP A 91 -27.474 -13.124 20.520 1.00 20.52 H new ATOM 0 HB3 ASP A 91 -28.749 -13.106 21.722 1.00 20.52 H new ATOM 1488 N SER A 92 -30.063 -13.345 17.926 1.00 73.00 N ATOM 1489 CA SER A 92 -30.100 -13.724 16.518 1.00 23.34 C ATOM 1490 C SER A 92 -30.275 -12.497 15.629 1.00 13.15 C ATOM 1491 O SER A 92 -29.675 -12.402 14.559 1.00 21.24 O ATOM 1492 CB SER A 92 -31.235 -14.718 16.265 1.00 12.04 C ATOM 1493 OG SER A 92 -30.764 -15.868 15.585 1.00 71.22 O ATOM 0 H SER A 92 -30.739 -13.834 18.512 1.00 73.00 H new ATOM 0 HA SER A 92 -29.150 -14.198 16.270 1.00 23.34 H new ATOM 0 HB2 SER A 92 -31.684 -15.011 17.214 1.00 12.04 H new ATOM 0 HB3 SER A 92 -32.018 -14.239 15.677 1.00 12.04 H new ATOM 0 HG SER A 92 -31.508 -16.488 15.437 1.00 71.22 H new ATOM 1499 N GLN A 93 -31.103 -11.560 16.082 1.00 64.14 N ATOM 1500 CA GLN A 93 -31.358 -10.339 15.327 1.00 13.33 C ATOM 1501 C GLN A 93 -30.100 -9.482 15.236 1.00 11.44 C ATOM 1502 O GLN A 93 -29.761 -8.970 14.169 1.00 45.14 O ATOM 1503 CB GLN A 93 -32.488 -9.539 15.978 1.00 33.33 C ATOM 1504 CG GLN A 93 -32.867 -8.284 15.209 1.00 2.10 C ATOM 1505 CD GLN A 93 -34.347 -7.970 15.297 1.00 54.04 C ATOM 1506 OE1 GLN A 93 -34.905 -7.304 14.424 1.00 73.32 O ATOM 1507 NE2 GLN A 93 -34.993 -8.449 16.354 1.00 42.14 N ATOM 0 H GLN A 93 -31.607 -11.623 16.966 1.00 64.14 H new ATOM 0 HA GLN A 93 -31.656 -10.622 14.318 1.00 13.33 H new ATOM 0 HB2 GLN A 93 -33.367 -10.177 16.071 1.00 33.33 H new ATOM 0 HB3 GLN A 93 -32.189 -9.259 16.988 1.00 33.33 H new ATOM 0 HG2 GLN A 93 -32.297 -7.439 15.596 1.00 2.10 H new ATOM 0 HG3 GLN A 93 -32.587 -8.405 14.163 1.00 2.10 H new ATOM 0 HE21 GLN A 93 -34.491 -8.996 17.053 1.00 42.14 H new ATOM 0 HE22 GLN A 93 -35.991 -8.270 16.466 1.00 42.14 H new ATOM 1516 N LEU A 94 -29.412 -9.329 16.362 1.00 10.43 N ATOM 1517 CA LEU A 94 -28.190 -8.533 16.410 1.00 14.43 C ATOM 1518 C LEU A 94 -27.131 -9.104 15.473 1.00 53.43 C ATOM 1519 O LEU A 94 -26.528 -8.375 14.686 1.00 55.35 O ATOM 1520 CB LEU A 94 -27.648 -8.481 17.840 1.00 41.44 C ATOM 1521 CG LEU A 94 -28.582 -7.880 18.891 1.00 72.24 C ATOM 1522 CD1 LEU A 94 -27.995 -8.046 20.284 1.00 52.23 C ATOM 1523 CD2 LEU A 94 -28.847 -6.412 18.592 1.00 3.55 C ATOM 0 H LEU A 94 -29.679 -9.745 17.254 1.00 10.43 H new ATOM 0 HA LEU A 94 -28.431 -7.522 16.082 1.00 14.43 H new ATOM 0 HB2 LEU A 94 -27.393 -9.495 18.147 1.00 41.44 H new ATOM 0 HB3 LEU A 94 -26.722 -7.907 17.835 1.00 41.44 H new ATOM 0 HG LEU A 94 -29.531 -8.414 18.854 1.00 72.24 H new ATOM 0 HD11 LEU A 94 -28.673 -7.612 21.019 1.00 52.23 H new ATOM 0 HD12 LEU A 94 -27.859 -9.106 20.497 1.00 52.23 H new ATOM 0 HD13 LEU A 94 -27.032 -7.539 20.336 1.00 52.23 H new ATOM 0 HD21 LEU A 94 -29.514 -6.001 19.350 1.00 3.55 H new ATOM 0 HD22 LEU A 94 -27.905 -5.863 18.601 1.00 3.55 H new ATOM 0 HD23 LEU A 94 -29.312 -6.319 17.611 1.00 3.55 H new ATOM 1535 N GLN A 95 -26.912 -10.412 15.562 1.00 14.52 N ATOM 1536 CA GLN A 95 -25.927 -11.080 14.720 1.00 11.05 C ATOM 1537 C GLN A 95 -26.316 -10.988 13.249 1.00 53.22 C ATOM 1538 O GLN A 95 -25.456 -10.897 12.374 1.00 63.42 O ATOM 1539 CB GLN A 95 -25.785 -12.546 15.132 1.00 63.42 C ATOM 1540 CG GLN A 95 -25.760 -12.756 16.637 1.00 31.42 C ATOM 1541 CD GLN A 95 -24.424 -13.275 17.132 1.00 13.44 C ATOM 1542 OE1 GLN A 95 -23.372 -12.722 16.809 1.00 15.34 O ATOM 1543 NE2 GLN A 95 -24.459 -14.342 17.922 1.00 43.04 N ATOM 0 H GLN A 95 -27.403 -11.030 16.208 1.00 14.52 H new ATOM 0 HA GLN A 95 -24.969 -10.577 14.855 1.00 11.05 H new ATOM 0 HB2 GLN A 95 -26.612 -13.116 14.708 1.00 63.42 H new ATOM 0 HB3 GLN A 95 -24.868 -12.948 14.702 1.00 63.42 H new ATOM 0 HG2 GLN A 95 -25.986 -11.813 17.135 1.00 31.42 H new ATOM 0 HG3 GLN A 95 -26.544 -13.460 16.915 1.00 31.42 H new ATOM 0 HE21 GLN A 95 -25.354 -14.768 18.164 1.00 43.04 H new ATOM 0 HE22 GLN A 95 -23.591 -14.735 18.287 1.00 43.04 H new ATOM 1552 N MET A 96 -27.618 -11.012 12.984 1.00 53.15 N ATOM 1553 CA MET A 96 -28.121 -10.930 11.617 1.00 31.20 C ATOM 1554 C MET A 96 -27.675 -9.633 10.950 1.00 12.34 C ATOM 1555 O MET A 96 -27.327 -9.618 9.769 1.00 54.42 O ATOM 1556 CB MET A 96 -29.648 -11.024 11.606 1.00 31.22 C ATOM 1557 CG MET A 96 -30.285 -10.422 10.364 1.00 32.04 C ATOM 1558 SD MET A 96 -32.082 -10.330 10.481 1.00 52.12 S ATOM 1559 CE MET A 96 -32.298 -8.649 11.060 1.00 52.35 C ATOM 0 H MET A 96 -28.344 -11.087 13.697 1.00 53.15 H new ATOM 0 HA MET A 96 -27.709 -11.767 11.054 1.00 31.20 H new ATOM 0 HB2 MET A 96 -29.940 -12.071 11.683 1.00 31.22 H new ATOM 0 HB3 MET A 96 -30.041 -10.518 12.488 1.00 31.22 H new ATOM 0 HG2 MET A 96 -29.883 -9.422 10.203 1.00 32.04 H new ATOM 0 HG3 MET A 96 -30.011 -11.019 9.494 1.00 32.04 H new ATOM 0 HE1 MET A 96 -33.351 -8.375 10.996 1.00 52.35 H new ATOM 0 HE2 MET A 96 -31.966 -8.575 12.096 1.00 52.35 H new ATOM 0 HE3 MET A 96 -31.709 -7.972 10.441 1.00 52.35 H new ATOM 1569 N LEU A 97 -27.688 -8.546 11.714 1.00 2.20 N ATOM 1570 CA LEU A 97 -27.285 -7.243 11.197 1.00 43.41 C ATOM 1571 C LEU A 97 -25.799 -7.229 10.853 1.00 63.32 C ATOM 1572 O LEU A 97 -25.388 -6.647 9.849 1.00 3.51 O ATOM 1573 CB LEU A 97 -27.593 -6.148 12.220 1.00 23.33 C ATOM 1574 CG LEU A 97 -29.034 -6.089 12.726 1.00 34.35 C ATOM 1575 CD1 LEU A 97 -29.135 -5.188 13.947 1.00 11.40 C ATOM 1576 CD2 LEU A 97 -29.967 -5.606 11.625 1.00 2.54 C ATOM 0 H LEU A 97 -27.973 -8.541 12.693 1.00 2.20 H new ATOM 0 HA LEU A 97 -27.852 -7.051 10.286 1.00 43.41 H new ATOM 0 HB2 LEU A 97 -26.933 -6.283 13.077 1.00 23.33 H new ATOM 0 HB3 LEU A 97 -27.345 -5.184 11.776 1.00 23.33 H new ATOM 0 HG LEU A 97 -29.338 -7.095 13.016 1.00 34.35 H new ATOM 0 HD11 LEU A 97 -30.168 -5.158 14.293 1.00 11.40 H new ATOM 0 HD12 LEU A 97 -28.498 -5.578 14.741 1.00 11.40 H new ATOM 0 HD13 LEU A 97 -28.812 -4.181 13.684 1.00 11.40 H new ATOM 0 HD21 LEU A 97 -30.989 -5.570 12.003 1.00 2.54 H new ATOM 0 HD22 LEU A 97 -29.664 -4.610 11.303 1.00 2.54 H new ATOM 0 HD23 LEU A 97 -29.917 -6.292 10.779 1.00 2.54 H new ATOM 1588 N LYS A 98 -24.997 -7.877 11.691 1.00 62.21 N ATOM 1589 CA LYS A 98 -23.556 -7.944 11.475 1.00 14.20 C ATOM 1590 C LYS A 98 -23.235 -8.650 10.161 1.00 12.45 C ATOM 1591 O LYS A 98 -22.269 -8.305 9.481 1.00 21.30 O ATOM 1592 CB LYS A 98 -22.879 -8.673 12.637 1.00 21.42 C ATOM 1593 CG LYS A 98 -23.116 -8.019 13.987 1.00 2.22 C ATOM 1594 CD LYS A 98 -22.400 -6.682 14.092 1.00 74.30 C ATOM 1595 CE LYS A 98 -21.450 -6.650 15.279 1.00 32.32 C ATOM 1596 NZ LYS A 98 -20.032 -6.823 14.859 1.00 20.34 N ATOM 0 H LYS A 98 -25.321 -8.364 12.527 1.00 62.21 H new ATOM 0 HA LYS A 98 -23.174 -6.925 11.422 1.00 14.20 H new ATOM 0 HB2 LYS A 98 -23.243 -9.700 12.672 1.00 21.42 H new ATOM 0 HB3 LYS A 98 -21.806 -8.721 12.449 1.00 21.42 H new ATOM 0 HG2 LYS A 98 -24.185 -7.873 14.139 1.00 2.22 H new ATOM 0 HG3 LYS A 98 -22.769 -8.682 14.780 1.00 2.22 H new ATOM 0 HD2 LYS A 98 -21.843 -6.493 13.174 1.00 74.30 H new ATOM 0 HD3 LYS A 98 -23.134 -5.882 14.190 1.00 74.30 H new ATOM 0 HE2 LYS A 98 -21.560 -5.702 15.806 1.00 32.32 H new ATOM 0 HE3 LYS A 98 -21.720 -7.439 15.981 1.00 32.32 H new ATOM 0 HZ1 LYS A 98 -19.416 -6.795 15.697 1.00 20.34 H new ATOM 0 HZ2 LYS A 98 -19.922 -7.738 14.378 1.00 20.34 H new ATOM 0 HZ3 LYS A 98 -19.767 -6.056 14.209 1.00 20.34 H new ATOM 1610 N SER A 99 -24.052 -9.638 9.810 1.00 13.55 N ATOM 1611 CA SER A 99 -23.853 -10.393 8.579 1.00 34.12 C ATOM 1612 C SER A 99 -24.166 -9.534 7.358 1.00 43.40 C ATOM 1613 O SER A 99 -23.407 -9.514 6.390 1.00 62.24 O ATOM 1614 CB SER A 99 -24.734 -11.644 8.576 1.00 53.15 C ATOM 1615 OG SER A 99 -24.090 -12.723 9.230 1.00 34.14 O ATOM 0 H SER A 99 -24.858 -9.934 10.361 1.00 13.55 H new ATOM 0 HA SER A 99 -22.806 -10.694 8.531 1.00 34.12 H new ATOM 0 HB2 SER A 99 -25.680 -11.427 9.071 1.00 53.15 H new ATOM 0 HB3 SER A 99 -24.969 -11.925 7.549 1.00 53.15 H new ATOM 0 HG SER A 99 -24.674 -13.510 9.216 1.00 34.14 H new ATOM 1621 N GLU A 100 -25.289 -8.824 7.413 1.00 62.52 N ATOM 1622 CA GLU A 100 -25.702 -7.964 6.311 1.00 54.41 C ATOM 1623 C GLU A 100 -24.824 -6.718 6.234 1.00 31.14 C ATOM 1624 O GLU A 100 -24.698 -6.098 5.178 1.00 11.44 O ATOM 1625 CB GLU A 100 -27.169 -7.558 6.474 1.00 3.10 C ATOM 1626 CG GLU A 100 -27.364 -6.308 7.315 1.00 14.23 C ATOM 1627 CD GLU A 100 -28.823 -6.041 7.633 1.00 41.43 C ATOM 1628 OE1 GLU A 100 -29.665 -6.913 7.334 1.00 51.43 O ATOM 1629 OE2 GLU A 100 -29.122 -4.959 8.181 1.00 45.34 O ATOM 0 H GLU A 100 -25.928 -8.828 8.208 1.00 62.52 H new ATOM 0 HA GLU A 100 -25.588 -8.525 5.384 1.00 54.41 H new ATOM 0 HB2 GLU A 100 -27.604 -7.394 5.488 1.00 3.10 H new ATOM 0 HB3 GLU A 100 -27.717 -8.382 6.931 1.00 3.10 H new ATOM 0 HG2 GLU A 100 -26.806 -6.410 8.246 1.00 14.23 H new ATOM 0 HG3 GLU A 100 -26.948 -5.450 6.786 1.00 14.23 H new ATOM 1636 N PHE A 101 -24.219 -6.358 7.361 1.00 12.34 N ATOM 1637 CA PHE A 101 -23.354 -5.186 7.424 1.00 42.44 C ATOM 1638 C PHE A 101 -22.182 -5.323 6.456 1.00 1.11 C ATOM 1639 O PHE A 101 -21.763 -4.350 5.828 1.00 23.41 O ATOM 1640 CB PHE A 101 -22.833 -4.985 8.848 1.00 21.02 C ATOM 1641 CG PHE A 101 -23.835 -4.349 9.769 1.00 42.12 C ATOM 1642 CD1 PHE A 101 -25.149 -4.172 9.368 1.00 72.03 C ATOM 1643 CD2 PHE A 101 -23.462 -3.928 11.035 1.00 34.43 C ATOM 1644 CE1 PHE A 101 -26.073 -3.586 10.213 1.00 62.23 C ATOM 1645 CE2 PHE A 101 -24.382 -3.342 11.885 1.00 62.31 C ATOM 1646 CZ PHE A 101 -25.689 -3.172 11.473 1.00 10.02 C ATOM 0 H PHE A 101 -24.312 -6.861 8.243 1.00 12.34 H new ATOM 0 HA PHE A 101 -23.943 -4.315 7.134 1.00 42.44 H new ATOM 0 HB2 PHE A 101 -22.537 -5.951 9.258 1.00 21.02 H new ATOM 0 HB3 PHE A 101 -21.937 -4.365 8.814 1.00 21.02 H new ATOM 0 HD1 PHE A 101 -25.455 -4.495 8.384 1.00 72.03 H new ATOM 0 HD2 PHE A 101 -22.441 -4.059 11.362 1.00 34.43 H new ATOM 0 HE1 PHE A 101 -27.094 -3.452 9.888 1.00 62.23 H new ATOM 0 HE2 PHE A 101 -24.079 -3.018 12.870 1.00 62.31 H new ATOM 0 HZ PHE A 101 -26.410 -2.716 12.135 1.00 10.02 H new ATOM 1656 N LYS A 102 -21.656 -6.538 6.341 1.00 14.14 N ATOM 1657 CA LYS A 102 -20.533 -6.805 5.451 1.00 73.31 C ATOM 1658 C LYS A 102 -20.912 -6.528 4.000 1.00 44.55 C ATOM 1659 O LYS A 102 -20.118 -5.981 3.234 1.00 45.23 O ATOM 1660 CB LYS A 102 -20.072 -8.257 5.600 1.00 51.11 C ATOM 1661 CG LYS A 102 -18.732 -8.540 4.944 1.00 43.40 C ATOM 1662 CD LYS A 102 -17.575 -8.110 5.831 1.00 71.10 C ATOM 1663 CE LYS A 102 -17.512 -8.939 7.105 1.00 51.31 C ATOM 1664 NZ LYS A 102 -16.239 -9.705 7.206 1.00 50.41 N ATOM 0 H LYS A 102 -21.990 -7.354 6.854 1.00 14.14 H new ATOM 0 HA LYS A 102 -19.715 -6.140 5.728 1.00 73.31 H new ATOM 0 HB2 LYS A 102 -20.007 -8.502 6.660 1.00 51.11 H new ATOM 0 HB3 LYS A 102 -20.825 -8.915 5.167 1.00 51.11 H new ATOM 0 HG2 LYS A 102 -18.649 -9.605 4.728 1.00 43.40 H new ATOM 0 HG3 LYS A 102 -18.675 -8.016 3.990 1.00 43.40 H new ATOM 0 HD2 LYS A 102 -16.638 -8.211 5.283 1.00 71.10 H new ATOM 0 HD3 LYS A 102 -17.683 -7.056 6.086 1.00 71.10 H new ATOM 0 HE2 LYS A 102 -17.611 -8.283 7.970 1.00 51.31 H new ATOM 0 HE3 LYS A 102 -18.355 -9.630 7.131 1.00 51.31 H new ATOM 0 HZ1 LYS A 102 -16.235 -10.257 8.088 1.00 50.41 H new ATOM 0 HZ2 LYS A 102 -16.156 -10.349 6.394 1.00 50.41 H new ATOM 0 HZ3 LYS A 102 -15.436 -9.045 7.207 1.00 50.41 H new ATOM 1678 N LYS A 103 -22.130 -6.906 3.627 1.00 24.25 N ATOM 1679 CA LYS A 103 -22.615 -6.696 2.269 1.00 52.22 C ATOM 1680 C LYS A 103 -22.795 -5.209 1.980 1.00 54.04 C ATOM 1681 O LYS A 103 -22.483 -4.738 0.886 1.00 54.14 O ATOM 1682 CB LYS A 103 -23.941 -7.431 2.059 1.00 22.24 C ATOM 1683 CG LYS A 103 -24.487 -7.310 0.647 1.00 13.34 C ATOM 1684 CD LYS A 103 -25.826 -6.591 0.627 1.00 2.25 C ATOM 1685 CE LYS A 103 -26.949 -7.490 1.122 1.00 3.53 C ATOM 1686 NZ LYS A 103 -28.274 -6.816 1.042 1.00 34.10 N ATOM 0 H LYS A 103 -22.800 -7.360 4.248 1.00 24.25 H new ATOM 0 HA LYS A 103 -21.872 -7.096 1.579 1.00 52.22 H new ATOM 0 HB2 LYS A 103 -23.804 -8.486 2.297 1.00 22.24 H new ATOM 0 HB3 LYS A 103 -24.679 -7.039 2.759 1.00 22.24 H new ATOM 0 HG2 LYS A 103 -23.773 -6.770 0.025 1.00 13.34 H new ATOM 0 HG3 LYS A 103 -24.600 -8.304 0.213 1.00 13.34 H new ATOM 0 HD2 LYS A 103 -25.771 -5.699 1.251 1.00 2.25 H new ATOM 0 HD3 LYS A 103 -26.046 -6.257 -0.387 1.00 2.25 H new ATOM 0 HE2 LYS A 103 -26.970 -8.405 0.529 1.00 3.53 H new ATOM 0 HE3 LYS A 103 -26.752 -7.783 2.153 1.00 3.53 H new ATOM 0 HZ1 LYS A 103 -29.023 -7.532 0.953 1.00 34.10 H new ATOM 0 HZ2 LYS A 103 -28.431 -6.256 1.904 1.00 34.10 H new ATOM 0 HZ3 LYS A 103 -28.295 -6.188 0.213 1.00 34.10 H new ATOM 1700 N ILE A 104 -23.299 -4.476 2.967 1.00 44.42 N ATOM 1701 CA ILE A 104 -23.517 -3.042 2.818 1.00 32.20 C ATOM 1702 C ILE A 104 -22.201 -2.306 2.588 1.00 34.53 C ATOM 1703 O ILE A 104 -22.093 -1.471 1.690 1.00 14.22 O ATOM 1704 CB ILE A 104 -24.215 -2.448 4.055 1.00 14.24 C ATOM 1705 CG1 ILE A 104 -25.708 -2.785 4.037 1.00 23.01 C ATOM 1706 CG2 ILE A 104 -24.008 -0.942 4.108 1.00 2.43 C ATOM 1707 CD1 ILE A 104 -26.167 -3.561 5.252 1.00 42.13 C ATOM 0 H ILE A 104 -23.564 -4.851 3.878 1.00 44.42 H new ATOM 0 HA ILE A 104 -24.161 -2.909 1.948 1.00 32.20 H new ATOM 0 HB ILE A 104 -23.773 -2.888 4.949 1.00 14.24 H new ATOM 0 HG12 ILE A 104 -26.280 -1.860 3.969 1.00 23.01 H new ATOM 0 HG13 ILE A 104 -25.931 -3.364 3.141 1.00 23.01 H new ATOM 0 HG21 ILE A 104 -24.507 -0.537 4.988 1.00 2.43 H new ATOM 0 HG22 ILE A 104 -22.942 -0.723 4.163 1.00 2.43 H new ATOM 0 HG23 ILE A 104 -24.426 -0.485 3.211 1.00 2.43 H new ATOM 0 HD11 ILE A 104 -27.235 -3.765 5.172 1.00 42.13 H new ATOM 0 HD12 ILE A 104 -25.621 -4.503 5.310 1.00 42.13 H new ATOM 0 HD13 ILE A 104 -25.976 -2.975 6.151 1.00 42.13 H new ATOM 1719 N HIS A 105 -21.202 -2.624 3.405 1.00 43.01 N ATOM 1720 CA HIS A 105 -19.891 -1.995 3.289 1.00 1.32 C ATOM 1721 C HIS A 105 -19.251 -2.317 1.942 1.00 4.33 C ATOM 1722 O HIS A 105 -18.673 -1.445 1.295 1.00 51.43 O ATOM 1723 CB HIS A 105 -18.978 -2.458 4.425 1.00 44.42 C ATOM 1724 CG HIS A 105 -17.533 -2.132 4.202 1.00 22.00 C ATOM 1725 ND1 HIS A 105 -17.108 -1.142 3.341 1.00 15.45 N ATOM 1726 CD2 HIS A 105 -16.411 -2.671 4.735 1.00 74.10 C ATOM 1727 CE1 HIS A 105 -15.789 -1.087 3.353 1.00 4.24 C ATOM 1728 NE2 HIS A 105 -15.341 -2.004 4.191 1.00 30.45 N ATOM 0 H HIS A 105 -21.275 -3.313 4.154 1.00 43.01 H new ATOM 0 HA HIS A 105 -20.026 -0.916 3.358 1.00 1.32 H new ATOM 0 HB2 HIS A 105 -19.307 -1.996 5.356 1.00 44.42 H new ATOM 0 HB3 HIS A 105 -19.084 -3.536 4.549 1.00 44.42 H new ATOM 0 HD1 HIS A 105 -17.718 -0.545 2.782 1.00 15.45 H new ATOM 0 HD2 HIS A 105 -16.366 -3.476 5.454 1.00 74.10 H new ATOM 0 HE1 HIS A 105 -15.180 -0.407 2.776 1.00 4.24 H new ATOM 1736 N ASN A 106 -19.357 -3.575 1.528 1.00 41.14 N ATOM 1737 CA ASN A 106 -18.787 -4.012 0.258 1.00 20.14 C ATOM 1738 C ASN A 106 -19.395 -3.237 -0.907 1.00 33.33 C ATOM 1739 O ASN A 106 -18.740 -3.005 -1.923 1.00 64.41 O ATOM 1740 CB ASN A 106 -19.016 -5.512 0.063 1.00 64.24 C ATOM 1741 CG ASN A 106 -17.716 -6.287 -0.041 1.00 2.53 C ATOM 1742 OD1 ASN A 106 -17.157 -6.441 -1.127 1.00 3.54 O ATOM 1743 ND2 ASN A 106 -17.229 -6.778 1.093 1.00 63.54 N ATOM 0 H ASN A 106 -19.832 -4.310 2.053 1.00 41.14 H new ATOM 0 HA ASN A 106 -17.715 -3.815 0.282 1.00 20.14 H new ATOM 0 HB2 ASN A 106 -19.601 -5.899 0.898 1.00 64.24 H new ATOM 0 HB3 ASN A 106 -19.605 -5.672 -0.840 1.00 64.24 H new ATOM 0 HD21 ASN A 106 -16.357 -7.308 1.087 1.00 63.54 H new ATOM 0 HD22 ASN A 106 -17.727 -6.625 1.970 1.00 63.54 H new ATOM 1750 N THR A 107 -20.654 -2.838 -0.752 1.00 70.21 N ATOM 1751 CA THR A 107 -21.352 -2.090 -1.790 1.00 64.22 C ATOM 1752 C THR A 107 -21.320 -0.593 -1.505 1.00 21.13 C ATOM 1753 O THR A 107 -21.699 0.218 -2.350 1.00 21.24 O ATOM 1754 CB THR A 107 -22.817 -2.545 -1.922 1.00 33.21 C ATOM 1755 OG1 THR A 107 -23.445 -1.865 -3.014 1.00 72.14 O ATOM 1756 CG2 THR A 107 -23.586 -2.271 -0.638 1.00 73.42 C ATOM 0 H THR A 107 -21.211 -3.021 0.083 1.00 70.21 H new ATOM 0 HA THR A 107 -20.832 -2.290 -2.727 1.00 64.22 H new ATOM 0 HB THR A 107 -22.825 -3.619 -2.110 1.00 33.21 H new ATOM 0 HG1 THR A 107 -23.040 -0.979 -3.124 1.00 72.14 H new ATOM 0 HG21 THR A 107 -24.618 -2.601 -0.755 1.00 73.42 H new ATOM 0 HG22 THR A 107 -23.123 -2.813 0.186 1.00 73.42 H new ATOM 0 HG23 THR A 107 -23.568 -1.202 -0.424 1.00 73.42 H new ATOM 1764 N SER A 108 -20.865 -0.233 -0.309 1.00 2.02 N ATOM 1765 CA SER A 108 -20.787 1.168 0.089 1.00 24.32 C ATOM 1766 C SER A 108 -19.370 1.531 0.523 1.00 23.34 C ATOM 1767 O SER A 108 -19.175 2.310 1.456 1.00 32.15 O ATOM 1768 CB SER A 108 -21.769 1.452 1.227 1.00 54.35 C ATOM 1769 OG SER A 108 -23.107 1.448 0.758 1.00 43.51 O ATOM 0 H SER A 108 -20.545 -0.892 0.401 1.00 2.02 H new ATOM 0 HA SER A 108 -21.053 1.780 -0.773 1.00 24.32 H new ATOM 0 HB2 SER A 108 -21.652 0.701 2.009 1.00 54.35 H new ATOM 0 HB3 SER A 108 -21.540 2.418 1.676 1.00 54.35 H new ATOM 0 HG SER A 108 -23.616 0.754 1.227 1.00 43.51 H new ATOM 1775 N ARG A 109 -18.384 0.960 -0.160 1.00 65.25 N ATOM 1776 CA ARG A 109 -16.984 1.221 0.154 1.00 13.44 C ATOM 1777 C ARG A 109 -16.411 2.295 -0.767 1.00 33.35 C ATOM 1778 O ARG A 109 -15.944 1.999 -1.866 1.00 12.33 O ATOM 1779 CB ARG A 109 -16.163 -0.063 0.031 1.00 62.31 C ATOM 1780 CG ARG A 109 -14.674 0.181 -0.157 1.00 14.24 C ATOM 1781 CD ARG A 109 -13.844 -0.929 0.469 1.00 75.14 C ATOM 1782 NE ARG A 109 -12.855 -1.464 -0.463 1.00 50.31 N ATOM 1783 CZ ARG A 109 -12.100 -2.526 -0.204 1.00 53.22 C ATOM 1784 NH1 ARG A 109 -12.222 -3.164 0.952 1.00 41.42 N ATOM 1785 NH2 ARG A 109 -11.222 -2.952 -1.103 1.00 31.11 N ATOM 0 H ARG A 109 -18.528 0.313 -0.935 1.00 65.25 H new ATOM 0 HA ARG A 109 -16.930 1.581 1.181 1.00 13.44 H new ATOM 0 HB2 ARG A 109 -16.313 -0.667 0.926 1.00 62.31 H new ATOM 0 HB3 ARG A 109 -16.537 -0.644 -0.812 1.00 62.31 H new ATOM 0 HG2 ARG A 109 -14.447 0.251 -1.221 1.00 14.24 H new ATOM 0 HG3 ARG A 109 -14.402 1.137 0.290 1.00 14.24 H new ATOM 0 HD2 ARG A 109 -13.338 -0.547 1.355 1.00 75.14 H new ATOM 0 HD3 ARG A 109 -14.503 -1.732 0.799 1.00 75.14 H new ATOM 0 HE ARG A 109 -12.738 -0.997 -1.362 1.00 50.31 H new ATOM 0 HH11 ARG A 109 -12.897 -2.840 1.645 1.00 41.42 H new ATOM 0 HH12 ARG A 109 -11.641 -3.979 1.148 1.00 41.42 H new ATOM 0 HH21 ARG A 109 -11.126 -2.464 -1.994 1.00 31.11 H new ATOM 0 HH22 ARG A 109 -10.643 -3.767 -0.903 1.00 31.11 H new ATOM 1799 N GLY A 110 -16.451 3.543 -0.309 1.00 74.34 N ATOM 1800 CA GLY A 110 -15.934 4.641 -1.104 1.00 61.15 C ATOM 1801 C GLY A 110 -16.630 5.953 -0.803 1.00 50.30 C ATOM 1802 O GLY A 110 -16.154 7.019 -1.193 1.00 60.12 O ATOM 0 H GLY A 110 -16.832 3.813 0.598 1.00 74.34 H new ATOM 0 HA2 GLY A 110 -14.866 4.749 -0.917 1.00 61.15 H new ATOM 0 HA3 GLY A 110 -16.051 4.406 -2.162 1.00 61.15 H new ATOM 1806 N GLN A 111 -17.760 5.876 -0.108 1.00 75.23 N ATOM 1807 CA GLN A 111 -18.524 7.067 0.242 1.00 11.45 C ATOM 1808 C GLN A 111 -18.907 7.053 1.719 1.00 52.44 C ATOM 1809 O GLN A 111 -18.125 7.463 2.576 1.00 52.12 O ATOM 1810 CB GLN A 111 -19.782 7.166 -0.622 1.00 72.52 C ATOM 1811 CG GLN A 111 -20.360 5.814 -1.011 1.00 12.32 C ATOM 1812 CD GLN A 111 -21.853 5.871 -1.270 1.00 22.20 C ATOM 1813 OE1 GLN A 111 -22.606 6.469 -0.501 1.00 21.53 O ATOM 1814 NE2 GLN A 111 -22.289 5.247 -2.358 1.00 40.32 N ATOM 0 H GLN A 111 -18.167 5.001 0.224 1.00 75.23 H new ATOM 0 HA GLN A 111 -17.896 7.938 0.056 1.00 11.45 H new ATOM 0 HB2 GLN A 111 -20.540 7.734 -0.082 1.00 72.52 H new ATOM 0 HB3 GLN A 111 -19.548 7.726 -1.527 1.00 72.52 H new ATOM 0 HG2 GLN A 111 -19.854 5.450 -1.905 1.00 12.32 H new ATOM 0 HG3 GLN A 111 -20.160 5.095 -0.216 1.00 12.32 H new ATOM 0 HE21 GLN A 111 -21.629 4.764 -2.968 1.00 40.32 H new ATOM 0 HE22 GLN A 111 -23.284 5.251 -2.584 1.00 40.32 H new ATOM 1823 N GLU A 112 -20.115 6.580 2.007 1.00 34.31 N ATOM 1824 CA GLU A 112 -20.602 6.514 3.380 1.00 4.23 C ATOM 1825 C GLU A 112 -21.321 5.194 3.640 1.00 24.53 C ATOM 1826 O GLU A 112 -22.038 4.685 2.778 1.00 12.33 O ATOM 1827 CB GLU A 112 -21.543 7.685 3.668 1.00 52.42 C ATOM 1828 CG GLU A 112 -21.049 9.013 3.119 1.00 43.04 C ATOM 1829 CD GLU A 112 -22.080 10.118 3.246 1.00 23.42 C ATOM 1830 OE1 GLU A 112 -23.087 9.909 3.955 1.00 3.22 O ATOM 1831 OE2 GLU A 112 -21.880 11.189 2.638 1.00 52.43 O ATOM 0 H GLU A 112 -20.774 6.237 1.308 1.00 34.31 H new ATOM 0 HA GLU A 112 -19.742 6.576 4.046 1.00 4.23 H new ATOM 0 HB2 GLU A 112 -22.522 7.467 3.241 1.00 52.42 H new ATOM 0 HB3 GLU A 112 -21.678 7.775 4.746 1.00 52.42 H new ATOM 0 HG2 GLU A 112 -20.142 9.305 3.648 1.00 43.04 H new ATOM 0 HG3 GLU A 112 -20.781 8.891 2.070 1.00 43.04 H new ATOM 1838 N ILE A 113 -21.122 4.644 4.834 1.00 71.35 N ATOM 1839 CA ILE A 113 -21.751 3.383 5.207 1.00 13.25 C ATOM 1840 C ILE A 113 -22.563 3.533 6.490 1.00 64.01 C ATOM 1841 O ILE A 113 -23.284 2.619 6.890 1.00 31.11 O ATOM 1842 CB ILE A 113 -20.707 2.268 5.401 1.00 3.24 C ATOM 1843 CG1 ILE A 113 -19.852 2.550 6.639 1.00 61.12 C ATOM 1844 CG2 ILE A 113 -19.831 2.142 4.164 1.00 71.33 C ATOM 1845 CD1 ILE A 113 -19.124 1.331 7.161 1.00 73.22 C ATOM 0 H ILE A 113 -20.531 5.052 5.558 1.00 71.35 H new ATOM 0 HA ILE A 113 -22.416 3.108 4.388 1.00 13.25 H new ATOM 0 HB ILE A 113 -21.229 1.323 5.550 1.00 3.24 H new ATOM 0 HG12 ILE A 113 -19.123 3.323 6.398 1.00 61.12 H new ATOM 0 HG13 ILE A 113 -20.490 2.948 7.428 1.00 61.12 H new ATOM 0 HG21 ILE A 113 -19.098 1.350 4.316 1.00 71.33 H new ATOM 0 HG22 ILE A 113 -20.452 1.901 3.301 1.00 71.33 H new ATOM 0 HG23 ILE A 113 -19.314 3.085 3.986 1.00 71.33 H new ATOM 0 HD11 ILE A 113 -18.538 1.605 8.038 1.00 73.22 H new ATOM 0 HD12 ILE A 113 -19.848 0.563 7.433 1.00 73.22 H new ATOM 0 HD13 ILE A 113 -18.460 0.945 6.388 1.00 73.22 H new ATOM 1857 N ILE A 114 -22.441 4.692 7.129 1.00 65.43 N ATOM 1858 CA ILE A 114 -23.165 4.962 8.364 1.00 1.14 C ATOM 1859 C ILE A 114 -24.667 5.047 8.114 1.00 63.21 C ATOM 1860 O ILE A 114 -25.467 4.522 8.889 1.00 62.35 O ATOM 1861 CB ILE A 114 -22.690 6.273 9.020 1.00 74.43 C ATOM 1862 CG1 ILE A 114 -21.169 6.267 9.178 1.00 4.23 C ATOM 1863 CG2 ILE A 114 -23.368 6.466 10.368 1.00 53.21 C ATOM 1864 CD1 ILE A 114 -20.646 5.075 9.949 1.00 64.05 C ATOM 0 H ILE A 114 -21.848 5.458 6.811 1.00 65.43 H new ATOM 0 HA ILE A 114 -22.958 4.131 9.039 1.00 1.14 H new ATOM 0 HB ILE A 114 -22.966 7.107 8.374 1.00 74.43 H new ATOM 0 HG12 ILE A 114 -20.709 6.280 8.190 1.00 4.23 H new ATOM 0 HG13 ILE A 114 -20.861 7.181 9.685 1.00 4.23 H new ATOM 0 HG21 ILE A 114 -23.022 7.396 10.819 1.00 53.21 H new ATOM 0 HG22 ILE A 114 -24.448 6.509 10.229 1.00 53.21 H new ATOM 0 HG23 ILE A 114 -23.120 5.631 11.023 1.00 53.21 H new ATOM 0 HD11 ILE A 114 -19.560 5.137 10.022 1.00 64.05 H new ATOM 0 HD12 ILE A 114 -21.077 5.071 10.950 1.00 64.05 H new ATOM 0 HD13 ILE A 114 -20.923 4.157 9.431 1.00 64.05 H new ATOM 1876 N PHE A 115 -25.043 5.710 7.025 1.00 30.15 N ATOM 1877 CA PHE A 115 -26.449 5.863 6.671 1.00 34.25 C ATOM 1878 C PHE A 115 -27.029 4.545 6.166 1.00 54.11 C ATOM 1879 O PHE A 115 -28.159 4.185 6.496 1.00 3.44 O ATOM 1880 CB PHE A 115 -26.614 6.948 5.605 1.00 23.12 C ATOM 1881 CG PHE A 115 -28.026 7.440 5.463 1.00 22.41 C ATOM 1882 CD1 PHE A 115 -28.601 8.227 6.447 1.00 53.41 C ATOM 1883 CD2 PHE A 115 -28.777 7.115 4.345 1.00 34.44 C ATOM 1884 CE1 PHE A 115 -29.901 8.680 6.319 1.00 43.52 C ATOM 1885 CE2 PHE A 115 -30.077 7.565 4.212 1.00 53.14 C ATOM 1886 CZ PHE A 115 -30.639 8.350 5.199 1.00 12.03 C ATOM 0 H PHE A 115 -24.394 6.150 6.373 1.00 30.15 H new ATOM 0 HA PHE A 115 -26.993 6.159 7.568 1.00 34.25 H new ATOM 0 HB2 PHE A 115 -25.968 7.790 5.852 1.00 23.12 H new ATOM 0 HB3 PHE A 115 -26.276 6.557 4.645 1.00 23.12 H new ATOM 0 HD1 PHE A 115 -28.028 8.490 7.324 1.00 53.41 H new ATOM 0 HD2 PHE A 115 -28.342 6.503 3.569 1.00 34.44 H new ATOM 0 HE1 PHE A 115 -30.339 9.291 7.094 1.00 43.52 H new ATOM 0 HE2 PHE A 115 -30.653 7.303 3.337 1.00 53.14 H new ATOM 0 HZ PHE A 115 -31.654 8.705 5.096 1.00 12.03 H new ATOM 1896 N GLU A 116 -26.248 3.831 5.362 1.00 24.01 N ATOM 1897 CA GLU A 116 -26.684 2.554 4.810 1.00 52.14 C ATOM 1898 C GLU A 116 -26.904 1.528 5.918 1.00 50.40 C ATOM 1899 O GLU A 116 -27.883 0.782 5.902 1.00 53.11 O ATOM 1900 CB GLU A 116 -25.654 2.027 3.809 1.00 64.10 C ATOM 1901 CG GLU A 116 -25.255 3.044 2.753 1.00 50.10 C ATOM 1902 CD GLU A 116 -26.409 3.427 1.847 1.00 60.13 C ATOM 1903 OE1 GLU A 116 -26.781 2.608 0.981 1.00 35.43 O ATOM 1904 OE2 GLU A 116 -26.940 4.547 2.004 1.00 64.42 O ATOM 0 H GLU A 116 -25.310 4.115 5.078 1.00 24.01 H new ATOM 0 HA GLU A 116 -27.631 2.715 4.295 1.00 52.14 H new ATOM 0 HB2 GLU A 116 -24.763 1.710 4.351 1.00 64.10 H new ATOM 0 HB3 GLU A 116 -26.059 1.143 3.316 1.00 64.10 H new ATOM 0 HG2 GLU A 116 -24.870 3.939 3.243 1.00 50.10 H new ATOM 0 HG3 GLU A 116 -24.444 2.637 2.150 1.00 50.10 H new ATOM 1911 N ILE A 117 -25.986 1.498 6.878 1.00 31.21 N ATOM 1912 CA ILE A 117 -26.080 0.565 7.994 1.00 25.11 C ATOM 1913 C ILE A 117 -27.268 0.896 8.890 1.00 54.33 C ATOM 1914 O ILE A 117 -27.991 0.005 9.337 1.00 52.20 O ATOM 1915 CB ILE A 117 -24.794 0.572 8.843 1.00 73.33 C ATOM 1916 CG1 ILE A 117 -24.464 -0.844 9.318 1.00 24.52 C ATOM 1917 CG2 ILE A 117 -24.948 1.512 10.029 1.00 43.33 C ATOM 1918 CD1 ILE A 117 -22.984 -1.157 9.302 1.00 24.02 C ATOM 0 H ILE A 117 -25.169 2.108 6.906 1.00 31.21 H new ATOM 0 HA ILE A 117 -26.218 -0.427 7.564 1.00 25.11 H new ATOM 0 HB ILE A 117 -23.970 0.930 8.226 1.00 73.33 H new ATOM 0 HG12 ILE A 117 -24.844 -0.977 10.331 1.00 24.52 H new ATOM 0 HG13 ILE A 117 -24.986 -1.562 8.685 1.00 24.52 H new ATOM 0 HG21 ILE A 117 -24.032 1.506 10.619 1.00 43.33 H new ATOM 0 HG22 ILE A 117 -25.142 2.523 9.670 1.00 43.33 H new ATOM 0 HG23 ILE A 117 -25.781 1.182 10.649 1.00 43.33 H new ATOM 0 HD11 ILE A 117 -22.824 -2.177 9.651 1.00 24.02 H new ATOM 0 HD12 ILE A 117 -22.602 -1.057 8.286 1.00 24.02 H new ATOM 0 HD13 ILE A 117 -22.458 -0.463 9.957 1.00 24.02 H new ATOM 1930 N THR A 118 -27.467 2.185 9.147 1.00 13.41 N ATOM 1931 CA THR A 118 -28.569 2.636 9.988 1.00 22.35 C ATOM 1932 C THR A 118 -29.912 2.401 9.307 1.00 13.44 C ATOM 1933 O THR A 118 -30.869 1.951 9.938 1.00 24.21 O ATOM 1934 CB THR A 118 -28.436 4.131 10.336 1.00 61.54 C ATOM 1935 OG1 THR A 118 -28.421 4.913 9.136 1.00 21.42 O ATOM 1936 CG2 THR A 118 -27.166 4.390 11.132 1.00 12.23 C ATOM 0 H THR A 118 -26.879 2.935 8.785 1.00 13.41 H new ATOM 0 HA THR A 118 -28.524 2.052 10.907 1.00 22.35 H new ATOM 0 HB THR A 118 -29.293 4.418 10.946 1.00 61.54 H new ATOM 0 HG1 THR A 118 -28.181 4.342 8.376 1.00 21.42 H new ATOM 0 HG21 THR A 118 -27.094 5.452 11.366 1.00 12.23 H new ATOM 0 HG22 THR A 118 -27.193 3.815 12.058 1.00 12.23 H new ATOM 0 HG23 THR A 118 -26.300 4.088 10.543 1.00 12.23 H new ATOM 1944 N SER A 119 -29.978 2.709 8.016 1.00 44.40 N ATOM 1945 CA SER A 119 -31.206 2.535 7.250 1.00 61.13 C ATOM 1946 C SER A 119 -31.587 1.060 7.162 1.00 44.11 C ATOM 1947 O SER A 119 -32.751 0.696 7.330 1.00 42.43 O ATOM 1948 CB SER A 119 -31.042 3.116 5.844 1.00 62.42 C ATOM 1949 OG SER A 119 -31.574 4.427 5.768 1.00 34.42 O ATOM 0 H SER A 119 -29.195 3.081 7.478 1.00 44.40 H new ATOM 0 HA SER A 119 -32.005 3.069 7.765 1.00 61.13 H new ATOM 0 HB2 SER A 119 -29.986 3.133 5.575 1.00 62.42 H new ATOM 0 HB3 SER A 119 -31.545 2.474 5.121 1.00 62.42 H new ATOM 0 HG SER A 119 -31.455 4.776 4.860 1.00 34.42 H new ATOM 1955 N PHE A 120 -30.596 0.215 6.897 1.00 20.44 N ATOM 1956 CA PHE A 120 -30.826 -1.221 6.786 1.00 65.12 C ATOM 1957 C PHE A 120 -31.318 -1.798 8.110 1.00 50.30 C ATOM 1958 O PHE A 120 -32.267 -2.581 8.145 1.00 35.21 O ATOM 1959 CB PHE A 120 -29.542 -1.932 6.353 1.00 23.20 C ATOM 1960 CG PHE A 120 -29.667 -2.647 5.038 1.00 23.41 C ATOM 1961 CD1 PHE A 120 -29.897 -1.940 3.869 1.00 32.41 C ATOM 1962 CD2 PHE A 120 -29.554 -4.027 4.971 1.00 11.23 C ATOM 1963 CE1 PHE A 120 -30.012 -2.595 2.657 1.00 34.43 C ATOM 1964 CE2 PHE A 120 -29.668 -4.687 3.763 1.00 61.14 C ATOM 1965 CZ PHE A 120 -29.899 -3.971 2.604 1.00 5.34 C ATOM 0 H PHE A 120 -29.627 0.499 6.755 1.00 20.44 H new ATOM 0 HA PHE A 120 -31.596 -1.383 6.031 1.00 65.12 H new ATOM 0 HB2 PHE A 120 -28.737 -1.201 6.285 1.00 23.20 H new ATOM 0 HB3 PHE A 120 -29.257 -2.650 7.122 1.00 23.20 H new ATOM 0 HD1 PHE A 120 -29.988 -0.864 3.905 1.00 32.41 H new ATOM 0 HD2 PHE A 120 -29.375 -4.592 5.874 1.00 11.23 H new ATOM 0 HE1 PHE A 120 -30.190 -2.032 1.753 1.00 34.43 H new ATOM 0 HE2 PHE A 120 -29.577 -5.762 3.724 1.00 61.14 H new ATOM 0 HZ PHE A 120 -29.991 -4.486 1.659 1.00 5.34 H new ATOM 1975 N THR A 121 -30.665 -1.405 9.199 1.00 1.52 N ATOM 1976 CA THR A 121 -31.034 -1.882 10.526 1.00 62.43 C ATOM 1977 C THR A 121 -32.382 -1.318 10.958 1.00 74.40 C ATOM 1978 O THR A 121 -33.186 -2.015 11.577 1.00 53.10 O ATOM 1979 CB THR A 121 -29.972 -1.503 11.575 1.00 64.52 C ATOM 1980 OG1 THR A 121 -29.664 -0.108 11.479 1.00 62.35 O ATOM 1981 CG2 THR A 121 -28.704 -2.322 11.382 1.00 70.13 C ATOM 0 H THR A 121 -29.877 -0.757 9.188 1.00 1.52 H new ATOM 0 HA THR A 121 -31.101 -2.968 10.464 1.00 62.43 H new ATOM 0 HB THR A 121 -30.377 -1.718 12.564 1.00 64.52 H new ATOM 0 HG1 THR A 121 -28.971 0.028 10.799 1.00 62.35 H new ATOM 0 HG21 THR A 121 -27.969 -2.037 12.134 1.00 70.13 H new ATOM 0 HG22 THR A 121 -28.936 -3.382 11.485 1.00 70.13 H new ATOM 0 HG23 THR A 121 -28.298 -2.135 10.388 1.00 70.13 H new ATOM 1989 N GLN A 122 -32.623 -0.054 10.627 1.00 13.12 N ATOM 1990 CA GLN A 122 -33.876 0.603 10.982 1.00 22.21 C ATOM 1991 C GLN A 122 -35.056 -0.061 10.281 1.00 73.12 C ATOM 1992 O GLN A 122 -36.129 -0.214 10.863 1.00 54.00 O ATOM 1993 CB GLN A 122 -33.819 2.087 10.617 1.00 54.12 C ATOM 1994 CG GLN A 122 -34.873 2.927 11.321 1.00 43.35 C ATOM 1995 CD GLN A 122 -35.863 3.549 10.356 1.00 11.50 C ATOM 1996 OE1 GLN A 122 -35.536 4.492 9.635 1.00 52.34 O ATOM 1997 NE2 GLN A 122 -37.082 3.024 10.338 1.00 34.31 N ATOM 0 H GLN A 122 -31.968 0.536 10.114 1.00 13.12 H new ATOM 0 HA GLN A 122 -34.016 0.506 12.059 1.00 22.21 H new ATOM 0 HB2 GLN A 122 -32.831 2.476 10.865 1.00 54.12 H new ATOM 0 HB3 GLN A 122 -33.942 2.193 9.539 1.00 54.12 H new ATOM 0 HG2 GLN A 122 -35.411 2.304 12.036 1.00 43.35 H new ATOM 0 HG3 GLN A 122 -34.382 3.716 11.891 1.00 43.35 H new ATOM 0 HE21 GLN A 122 -37.310 2.243 10.953 1.00 34.31 H new ATOM 0 HE22 GLN A 122 -37.791 3.402 9.709 1.00 34.31 H new ATOM 2006 N GLU A 123 -34.850 -0.453 9.027 1.00 4.14 N ATOM 2007 CA GLU A 123 -35.898 -1.099 8.247 1.00 32.31 C ATOM 2008 C GLU A 123 -36.054 -2.562 8.652 1.00 35.22 C ATOM 2009 O GLU A 123 -37.168 -3.083 8.725 1.00 62.01 O ATOM 2010 CB GLU A 123 -35.585 -1.003 6.752 1.00 32.34 C ATOM 2011 CG GLU A 123 -34.599 -2.053 6.268 1.00 32.24 C ATOM 2012 CD GLU A 123 -34.560 -2.164 4.757 1.00 52.14 C ATOM 2013 OE1 GLU A 123 -35.576 -2.586 4.166 1.00 41.14 O ATOM 2014 OE2 GLU A 123 -33.513 -1.828 4.165 1.00 50.24 O ATOM 0 H GLU A 123 -33.967 -0.334 8.530 1.00 4.14 H new ATOM 0 HA GLU A 123 -36.836 -0.582 8.448 1.00 32.31 H new ATOM 0 HB2 GLU A 123 -36.513 -1.101 6.188 1.00 32.34 H new ATOM 0 HB3 GLU A 123 -35.184 -0.013 6.536 1.00 32.34 H new ATOM 0 HG2 GLU A 123 -33.603 -1.808 6.636 1.00 32.24 H new ATOM 0 HG3 GLU A 123 -34.867 -3.020 6.693 1.00 32.24 H new ATOM 2021 N LYS A 124 -34.931 -3.221 8.915 1.00 44.53 N ATOM 2022 CA LYS A 124 -34.940 -4.623 9.313 1.00 30.02 C ATOM 2023 C LYS A 124 -35.509 -4.785 10.719 1.00 21.32 C ATOM 2024 O LYS A 124 -36.254 -5.727 10.994 1.00 60.04 O ATOM 2025 CB LYS A 124 -33.524 -5.201 9.255 1.00 51.33 C ATOM 2026 CG LYS A 124 -33.479 -6.657 8.825 1.00 45.35 C ATOM 2027 CD LYS A 124 -33.901 -6.823 7.375 1.00 73.34 C ATOM 2028 CE LYS A 124 -33.178 -5.840 6.467 1.00 70.54 C ATOM 2029 NZ LYS A 124 -32.880 -6.433 5.133 1.00 32.03 N ATOM 0 H LYS A 124 -34.001 -2.805 8.859 1.00 44.53 H new ATOM 0 HA LYS A 124 -35.577 -5.168 8.616 1.00 30.02 H new ATOM 0 HB2 LYS A 124 -32.926 -4.608 8.563 1.00 51.33 H new ATOM 0 HB3 LYS A 124 -33.061 -5.106 10.237 1.00 51.33 H new ATOM 0 HG2 LYS A 124 -32.469 -7.046 8.958 1.00 45.35 H new ATOM 0 HG3 LYS A 124 -34.134 -7.247 9.466 1.00 45.35 H new ATOM 0 HD2 LYS A 124 -33.692 -7.842 7.049 1.00 73.34 H new ATOM 0 HD3 LYS A 124 -34.977 -6.675 7.289 1.00 73.34 H new ATOM 0 HE2 LYS A 124 -33.789 -4.947 6.339 1.00 70.54 H new ATOM 0 HE3 LYS A 124 -32.248 -5.525 6.940 1.00 70.54 H new ATOM 0 HZ1 LYS A 124 -32.387 -5.732 4.544 1.00 32.03 H new ATOM 0 HZ2 LYS A 124 -32.276 -7.271 5.253 1.00 32.03 H new ATOM 0 HZ3 LYS A 124 -33.769 -6.711 4.670 1.00 32.03 H new ATOM 2043 N LEU A 125 -35.155 -3.862 11.606 1.00 43.31 N ATOM 2044 CA LEU A 125 -35.632 -3.902 12.984 1.00 44.50 C ATOM 2045 C LEU A 125 -37.152 -3.786 13.038 1.00 45.51 C ATOM 2046 O LEU A 125 -37.823 -4.589 13.686 1.00 62.04 O ATOM 2047 CB LEU A 125 -34.994 -2.774 13.798 1.00 65.41 C ATOM 2048 CG LEU A 125 -35.763 -2.325 15.040 1.00 31.15 C ATOM 2049 CD1 LEU A 125 -36.200 -3.528 15.862 1.00 24.20 C ATOM 2050 CD2 LEU A 125 -34.915 -1.382 15.881 1.00 22.23 C ATOM 0 H LEU A 125 -34.539 -3.077 11.396 1.00 43.31 H new ATOM 0 HA LEU A 125 -35.344 -4.861 13.415 1.00 44.50 H new ATOM 0 HB2 LEU A 125 -33.999 -3.094 14.107 1.00 65.41 H new ATOM 0 HB3 LEU A 125 -34.863 -1.911 13.145 1.00 65.41 H new ATOM 0 HG LEU A 125 -36.655 -1.789 14.717 1.00 31.15 H new ATOM 0 HD11 LEU A 125 -36.746 -3.188 16.742 1.00 24.20 H new ATOM 0 HD12 LEU A 125 -36.846 -4.166 15.258 1.00 24.20 H new ATOM 0 HD13 LEU A 125 -35.322 -4.093 16.175 1.00 24.20 H new ATOM 0 HD21 LEU A 125 -35.479 -1.073 16.761 1.00 22.23 H new ATOM 0 HD22 LEU A 125 -34.005 -1.893 16.194 1.00 22.23 H new ATOM 0 HD23 LEU A 125 -34.653 -0.504 15.291 1.00 22.23 H new ATOM 2062 N ASP A 126 -37.688 -2.782 12.352 1.00 63.32 N ATOM 2063 CA ASP A 126 -39.129 -2.563 12.318 1.00 10.15 C ATOM 2064 C ASP A 126 -39.854 -3.794 11.782 1.00 3.52 C ATOM 2065 O ASP A 126 -40.923 -4.157 12.271 1.00 62.32 O ATOM 2066 CB ASP A 126 -39.461 -1.344 11.456 1.00 31.03 C ATOM 2067 CG ASP A 126 -40.885 -1.372 10.938 1.00 75.31 C ATOM 2068 OD1 ASP A 126 -41.759 -1.930 11.634 1.00 22.23 O ATOM 2069 OD2 ASP A 126 -41.127 -0.837 9.835 1.00 23.33 O ATOM 0 H ASP A 126 -37.146 -2.107 11.812 1.00 63.32 H new ATOM 0 HA ASP A 126 -39.468 -2.380 13.338 1.00 10.15 H new ATOM 0 HB2 ASP A 126 -39.308 -0.437 12.040 1.00 31.03 H new ATOM 0 HB3 ASP A 126 -38.772 -1.300 10.613 1.00 31.03 H new ATOM 2074 N GLU A 127 -39.264 -4.429 10.774 1.00 13.21 N ATOM 2075 CA GLU A 127 -39.856 -5.617 10.171 1.00 63.32 C ATOM 2076 C GLU A 127 -39.927 -6.761 11.179 1.00 53.24 C ATOM 2077 O GLU A 127 -40.805 -7.620 11.098 1.00 60.53 O ATOM 2078 CB GLU A 127 -39.047 -6.051 8.947 1.00 64.51 C ATOM 2079 CG GLU A 127 -38.058 -7.169 9.236 1.00 52.22 C ATOM 2080 CD GLU A 127 -38.626 -8.542 8.935 1.00 32.33 C ATOM 2081 OE1 GLU A 127 -38.567 -8.964 7.761 1.00 20.23 O ATOM 2082 OE2 GLU A 127 -39.130 -9.195 9.873 1.00 1.22 O ATOM 0 H GLU A 127 -38.378 -4.141 10.359 1.00 13.21 H new ATOM 0 HA GLU A 127 -40.870 -5.368 9.858 1.00 63.32 H new ATOM 0 HB2 GLU A 127 -39.733 -6.377 8.165 1.00 64.51 H new ATOM 0 HB3 GLU A 127 -38.505 -5.190 8.556 1.00 64.51 H new ATOM 0 HG2 GLU A 127 -37.157 -7.014 8.642 1.00 52.22 H new ATOM 0 HG3 GLU A 127 -37.761 -7.124 10.284 1.00 52.22 H new ATOM 2089 N PHE A 128 -38.997 -6.764 12.128 1.00 72.33 N ATOM 2090 CA PHE A 128 -38.953 -7.802 13.151 1.00 61.30 C ATOM 2091 C PHE A 128 -40.105 -7.642 14.139 1.00 41.14 C ATOM 2092 O PHE A 128 -41.023 -8.460 14.174 1.00 32.32 O ATOM 2093 CB PHE A 128 -37.617 -7.757 13.896 1.00 13.22 C ATOM 2094 CG PHE A 128 -36.758 -8.966 13.661 1.00 40.04 C ATOM 2095 CD1 PHE A 128 -36.075 -9.125 12.466 1.00 44.42 C ATOM 2096 CD2 PHE A 128 -36.634 -9.944 14.634 1.00 70.41 C ATOM 2097 CE1 PHE A 128 -35.283 -10.236 12.246 1.00 43.11 C ATOM 2098 CE2 PHE A 128 -35.843 -11.058 14.420 1.00 53.51 C ATOM 2099 CZ PHE A 128 -35.168 -11.204 13.224 1.00 22.10 C ATOM 0 H PHE A 128 -38.264 -6.060 12.210 1.00 72.33 H new ATOM 0 HA PHE A 128 -39.053 -8.768 12.657 1.00 61.30 H new ATOM 0 HB2 PHE A 128 -37.069 -6.866 13.589 1.00 13.22 H new ATOM 0 HB3 PHE A 128 -37.809 -7.660 14.965 1.00 13.22 H new ATOM 0 HD1 PHE A 128 -36.163 -8.372 11.697 1.00 44.42 H new ATOM 0 HD2 PHE A 128 -37.161 -9.835 15.570 1.00 70.41 H new ATOM 0 HE1 PHE A 128 -34.755 -10.347 11.311 1.00 43.11 H new ATOM 0 HE2 PHE A 128 -35.753 -11.813 15.187 1.00 53.51 H new ATOM 0 HZ PHE A 128 -34.551 -12.074 13.054 1.00 22.10 H new