USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 602 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 70 THR OG1 : rot 155:sc= 0.627 USER MOD Set 1.2: A 72 HIS : no HE2:sc= 1.45 K(o=2.1,f=-3.8!) USER MOD Set 2.1: A 60 THR OG1 : rot 180:sc= 0.582 USER MOD Set 2.2: A 68 LYS NZ :NH3+ -134:sc= 0.645 (180deg=0) USER MOD Set 3.1: A 9 THR OG1 : rot 170:sc= 0.372 USER MOD Set 3.2: A 49 SER OG : rot 134:sc= 0.308 USER MOD Set 4.1: A 15 ASN : amide:sc= 2.14 K(o=3.3,f=-0.4) USER MOD Set 4.2: A 17 THR OG1 : rot -129:sc= 1.2 USER MOD Single : A 8 THR OG1 : rot -13:sc= 0.57 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 18 TYR OH : rot -93:sc= 1.28 USER MOD Single : A 20 ASN : amide:sc= -1.9 K(o=-1.9,f=-5.2!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN :FLIP amide:sc= -0.536 F(o=-1.9,f=-0.54) USER MOD Single : A 25 LYS NZ :NH3+ 153:sc= -0.667 (180deg=-2.56!) USER MOD Single : A 27 THR OG1 : rot 82:sc= 0.86 USER MOD Single : A 29 ASN : amide:sc= 0.0245 K(o=0.025,f=-0.78) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.336 F(o=-1.4,f=-0.34) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 38 THR OG1 : rot -27:sc= 0.579 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0149 USER MOD Single : A 42 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.11) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -176:sc= 1.24 (180deg=1.14) USER MOD Single : A 57 MET CE :methyl 164:sc= -0.055 (180deg=-0.524) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.099 USER MOD Single : A 63 THR OG1 : rot 160:sc= 0.148 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc=-0.00334 USER MOD Single : A 90 ASN : amide:sc= 1.03 K(o=1,f=-0.16) USER MOD Single : A 94 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.022) USER MOD Single : A 99 GLN : amide:sc= -1.31 K(o=-1.3,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 8 -0.301 17.358 0.617 1.00 35.25 N ATOM 83 CA THR A 8 -0.408 16.063 -0.043 1.00 32.25 C ATOM 84 C THR A 8 -0.173 14.994 1.027 1.00 3.24 C ATOM 85 O THR A 8 0.549 15.272 1.995 1.00 22.44 O ATOM 86 CB THR A 8 0.602 16.006 -1.217 1.00 52.24 C ATOM 87 OG1 THR A 8 1.691 16.923 -1.088 1.00 20.32 O ATOM 88 CG2 THR A 8 -0.107 16.379 -2.521 1.00 75.50 C ATOM 0 HA THR A 8 -1.390 15.892 -0.484 1.00 32.25 H new ATOM 0 HB THR A 8 0.992 14.988 -1.212 1.00 52.24 H new ATOM 0 HG1 THR A 8 1.489 17.574 -0.384 1.00 20.32 H new ATOM 0 HG21 THR A 8 0.604 16.339 -3.346 1.00 75.50 H new ATOM 0 HG22 THR A 8 -0.919 15.676 -2.707 1.00 75.50 H new ATOM 0 HG23 THR A 8 -0.511 17.388 -2.440 1.00 75.50 H new ATOM 96 N THR A 9 -0.783 13.810 0.910 1.00 42.44 N ATOM 97 CA THR A 9 -0.475 12.739 1.852 1.00 14.44 C ATOM 98 C THR A 9 0.843 12.085 1.504 1.00 1.32 C ATOM 99 O THR A 9 1.370 12.225 0.391 1.00 20.13 O ATOM 100 CB THR A 9 -1.571 11.659 1.920 1.00 4.43 C ATOM 101 OG1 THR A 9 -1.932 11.112 0.672 1.00 44.34 O ATOM 102 CG2 THR A 9 -2.792 12.254 2.578 1.00 35.12 C ATOM 0 H THR A 9 -1.471 13.576 0.195 1.00 42.44 H new ATOM 0 HA THR A 9 -0.415 13.211 2.833 1.00 14.44 H new ATOM 0 HB THR A 9 -1.158 10.832 2.497 1.00 4.43 H new ATOM 0 HG1 THR A 9 -2.507 10.331 0.811 1.00 44.34 H new ATOM 0 HG21 THR A 9 -3.578 11.501 2.634 1.00 35.12 H new ATOM 0 HG22 THR A 9 -2.537 12.588 3.584 1.00 35.12 H new ATOM 0 HG23 THR A 9 -3.144 13.103 1.992 1.00 35.12 H new ATOM 110 N THR A 10 1.273 11.243 2.434 1.00 12.52 N ATOM 111 CA THR A 10 2.234 10.211 2.177 1.00 15.13 C ATOM 112 C THR A 10 1.533 8.854 2.239 1.00 2.52 C ATOM 113 O THR A 10 0.571 8.678 2.996 1.00 14.35 O ATOM 114 CB THR A 10 3.369 10.331 3.208 1.00 61.02 C ATOM 115 OG1 THR A 10 3.653 11.691 3.499 1.00 71.21 O ATOM 116 CG2 THR A 10 4.654 9.669 2.713 1.00 13.13 C ATOM 0 H THR A 10 0.950 11.269 3.401 1.00 12.52 H new ATOM 0 HA THR A 10 2.671 10.311 1.183 1.00 15.13 H new ATOM 0 HB THR A 10 3.023 9.822 4.108 1.00 61.02 H new ATOM 0 HG1 THR A 10 4.377 11.740 4.158 1.00 71.21 H new ATOM 0 HG21 THR A 10 5.432 9.775 3.469 1.00 13.13 H new ATOM 0 HG22 THR A 10 4.470 8.611 2.527 1.00 13.13 H new ATOM 0 HG23 THR A 10 4.978 10.149 1.789 1.00 13.13 H new ATOM 124 N ILE A 11 2.039 7.898 1.464 1.00 60.31 N ATOM 125 CA ILE A 11 1.673 6.492 1.523 1.00 4.25 C ATOM 126 C ILE A 11 2.955 5.754 1.892 1.00 24.02 C ATOM 127 O ILE A 11 4.033 6.132 1.436 1.00 13.44 O ATOM 128 CB ILE A 11 1.087 6.054 0.169 1.00 41.34 C ATOM 129 CG1 ILE A 11 -0.298 6.694 -0.039 1.00 74.21 C ATOM 130 CG2 ILE A 11 0.952 4.527 0.076 1.00 42.40 C ATOM 131 CD1 ILE A 11 -0.690 6.732 -1.516 1.00 35.34 C ATOM 0 H ILE A 11 2.742 8.093 0.751 1.00 60.31 H new ATOM 0 HA ILE A 11 0.899 6.277 2.260 1.00 4.25 H new ATOM 0 HB ILE A 11 1.775 6.388 -0.607 1.00 41.34 H new ATOM 0 HG12 ILE A 11 -1.046 6.132 0.521 1.00 74.21 H new ATOM 0 HG13 ILE A 11 -0.294 7.707 0.362 1.00 74.21 H new ATOM 0 HG21 ILE A 11 0.535 4.257 -0.894 1.00 42.40 H new ATOM 0 HG22 ILE A 11 1.934 4.067 0.189 1.00 42.40 H new ATOM 0 HG23 ILE A 11 0.291 4.171 0.867 1.00 42.40 H new ATOM 0 HD11 ILE A 11 -1.673 7.191 -1.620 1.00 35.34 H new ATOM 0 HD12 ILE A 11 0.043 7.316 -2.072 1.00 35.34 H new ATOM 0 HD13 ILE A 11 -0.720 5.716 -1.911 1.00 35.34 H new ATOM 142 N ARG A 12 2.857 4.702 2.710 1.00 12.12 N ATOM 143 CA ARG A 12 4.016 3.995 3.240 1.00 42.32 C ATOM 144 C ARG A 12 3.760 2.495 3.271 1.00 75.33 C ATOM 145 O ARG A 12 2.933 2.010 4.042 1.00 12.12 O ATOM 146 CB ARG A 12 4.404 4.591 4.602 1.00 63.43 C ATOM 147 CG ARG A 12 5.801 4.129 5.044 1.00 54.42 C ATOM 148 CD ARG A 12 5.790 2.906 5.953 1.00 64.30 C ATOM 149 NE ARG A 12 5.626 3.338 7.345 1.00 43.51 N ATOM 150 CZ ARG A 12 6.403 2.965 8.362 1.00 41.31 C ATOM 151 NH1 ARG A 12 7.074 1.819 8.331 1.00 11.53 N ATOM 152 NH2 ARG A 12 6.515 3.773 9.403 1.00 12.42 N ATOM 0 H ARG A 12 1.965 4.319 3.022 1.00 12.12 H new ATOM 0 HA ARG A 12 4.875 4.131 2.583 1.00 42.32 H new ATOM 0 HB2 ARG A 12 4.382 5.679 4.543 1.00 63.43 H new ATOM 0 HB3 ARG A 12 3.669 4.297 5.351 1.00 63.43 H new ATOM 0 HG2 ARG A 12 6.396 3.905 4.158 1.00 54.42 H new ATOM 0 HG3 ARG A 12 6.297 4.950 5.562 1.00 54.42 H new ATOM 0 HD2 ARG A 12 4.978 2.236 5.670 1.00 64.30 H new ATOM 0 HD3 ARG A 12 6.719 2.347 5.841 1.00 64.30 H new ATOM 0 HE ARG A 12 4.856 3.975 7.551 1.00 43.51 H new ATOM 0 HH11 ARG A 12 7.000 1.206 7.519 1.00 11.53 H new ATOM 0 HH12 ARG A 12 7.663 1.552 9.119 1.00 11.53 H new ATOM 0 HH21 ARG A 12 6.012 4.661 9.416 1.00 12.42 H new ATOM 0 HH22 ARG A 12 7.104 3.509 10.193 1.00 12.42 H new ATOM 163 N LEU A 13 4.441 1.759 2.404 1.00 34.03 N ATOM 164 CA LEU A 13 4.277 0.316 2.247 1.00 62.32 C ATOM 165 C LEU A 13 5.268 -0.374 3.179 1.00 51.40 C ATOM 166 O LEU A 13 6.426 0.049 3.232 1.00 61.23 O ATOM 167 CB LEU A 13 4.537 -0.092 0.782 1.00 43.21 C ATOM 168 CG LEU A 13 3.418 0.196 -0.245 1.00 44.22 C ATOM 169 CD1 LEU A 13 2.381 -0.922 -0.297 1.00 1.15 C ATOM 170 CD2 LEU A 13 2.670 1.502 0.019 1.00 4.42 C ATOM 0 H LEU A 13 5.139 2.155 1.775 1.00 34.03 H new ATOM 0 HA LEU A 13 3.259 0.019 2.500 1.00 62.32 H new ATOM 0 HB2 LEU A 13 5.441 0.416 0.446 1.00 43.21 H new ATOM 0 HB3 LEU A 13 4.746 -1.162 0.762 1.00 43.21 H new ATOM 0 HG LEU A 13 3.945 0.272 -1.196 1.00 44.22 H new ATOM 0 HD11 LEU A 13 1.616 -0.674 -1.032 1.00 1.15 H new ATOM 0 HD12 LEU A 13 2.867 -1.856 -0.579 1.00 1.15 H new ATOM 0 HD13 LEU A 13 1.919 -1.035 0.684 1.00 1.15 H new ATOM 0 HD21 LEU A 13 1.900 1.640 -0.740 1.00 4.42 H new ATOM 0 HD22 LEU A 13 2.206 1.463 1.004 1.00 4.42 H new ATOM 0 HD23 LEU A 13 3.370 2.336 -0.019 1.00 4.42 H new ATOM 181 N ILE A 14 4.856 -1.442 3.870 1.00 72.02 N ATOM 182 CA ILE A 14 5.732 -2.319 4.631 1.00 51.52 C ATOM 183 C ILE A 14 5.459 -3.768 4.210 1.00 33.04 C ATOM 184 O ILE A 14 4.319 -4.238 4.271 1.00 0.12 O ATOM 185 CB ILE A 14 5.522 -2.140 6.147 1.00 23.25 C ATOM 186 CG1 ILE A 14 5.443 -0.678 6.638 1.00 22.31 C ATOM 187 CG2 ILE A 14 6.684 -2.828 6.883 1.00 3.14 C ATOM 188 CD1 ILE A 14 4.041 -0.076 6.664 1.00 35.05 C ATOM 0 H ILE A 14 3.876 -1.722 3.912 1.00 72.02 H new ATOM 0 HA ILE A 14 6.770 -2.063 4.420 1.00 51.52 H new ATOM 0 HB ILE A 14 4.550 -2.583 6.364 1.00 23.25 H new ATOM 0 HG12 ILE A 14 5.862 -0.626 7.643 1.00 22.31 H new ATOM 0 HG13 ILE A 14 6.074 -0.062 5.997 1.00 22.31 H new ATOM 0 HG21 ILE A 14 6.553 -2.712 7.959 1.00 3.14 H new ATOM 0 HG22 ILE A 14 6.697 -3.888 6.631 1.00 3.14 H new ATOM 0 HG23 ILE A 14 7.627 -2.372 6.581 1.00 3.14 H new ATOM 0 HD11 ILE A 14 4.093 0.952 7.023 1.00 35.05 H new ATOM 0 HD12 ILE A 14 3.621 -0.088 5.658 1.00 35.05 H new ATOM 0 HD13 ILE A 14 3.406 -0.661 7.329 1.00 35.05 H new ATOM 199 N ASN A 15 6.506 -4.484 3.798 1.00 15.34 N ATOM 200 CA ASN A 15 6.437 -5.875 3.364 1.00 21.04 C ATOM 201 C ASN A 15 6.574 -6.858 4.538 1.00 3.51 C ATOM 202 O ASN A 15 7.561 -7.595 4.614 1.00 20.13 O ATOM 203 CB ASN A 15 7.548 -6.125 2.337 1.00 41.42 C ATOM 204 CG ASN A 15 7.428 -7.509 1.717 1.00 60.30 C ATOM 205 OD1 ASN A 15 6.348 -8.090 1.638 1.00 75.40 O ATOM 206 ND2 ASN A 15 8.543 -8.062 1.289 1.00 31.03 N ATOM 0 H ASN A 15 7.450 -4.100 3.757 1.00 15.34 H new ATOM 0 HA ASN A 15 5.457 -6.047 2.918 1.00 21.04 H new ATOM 0 HB2 ASN A 15 7.499 -5.368 1.554 1.00 41.42 H new ATOM 0 HB3 ASN A 15 8.521 -6.023 2.818 1.00 41.42 H new ATOM 0 HD21 ASN A 15 8.525 -8.996 0.879 1.00 31.03 H new ATOM 0 HD22 ASN A 15 9.426 -7.557 1.367 1.00 31.03 H new ATOM 212 N GLN A 16 5.630 -6.881 5.480 1.00 0.52 N ATOM 213 CA GLN A 16 5.730 -7.654 6.725 1.00 14.53 C ATOM 214 C GLN A 16 5.380 -9.138 6.490 1.00 44.50 C ATOM 215 O GLN A 16 4.485 -9.696 7.130 1.00 31.15 O ATOM 216 CB GLN A 16 4.904 -6.985 7.855 1.00 1.53 C ATOM 217 CG GLN A 16 5.282 -5.503 8.018 1.00 15.13 C ATOM 218 CD GLN A 16 4.813 -4.839 9.311 1.00 74.10 C ATOM 219 OE1 GLN A 16 3.725 -4.276 9.392 1.00 72.34 O ATOM 220 NE2 GLN A 16 5.672 -4.737 10.312 1.00 72.04 N ATOM 0 H GLN A 16 4.759 -6.356 5.401 1.00 0.52 H new ATOM 0 HA GLN A 16 6.766 -7.648 7.065 1.00 14.53 H new ATOM 0 HB2 GLN A 16 3.841 -7.069 7.630 1.00 1.53 H new ATOM 0 HB3 GLN A 16 5.074 -7.512 8.794 1.00 1.53 H new ATOM 0 HG2 GLN A 16 6.367 -5.415 7.959 1.00 15.13 H new ATOM 0 HG3 GLN A 16 4.870 -4.947 7.176 1.00 15.13 H new ATOM 0 HE21 GLN A 16 6.579 -5.201 10.255 1.00 72.04 H new ATOM 0 HE22 GLN A 16 5.428 -4.195 11.141 1.00 72.04 H new ATOM 227 N THR A 17 6.108 -9.801 5.587 1.00 75.12 N ATOM 228 CA THR A 17 5.817 -11.132 5.058 1.00 52.34 C ATOM 229 C THR A 17 7.056 -12.038 5.099 1.00 31.05 C ATOM 230 O THR A 17 8.099 -11.674 5.654 1.00 34.15 O ATOM 231 CB THR A 17 5.316 -10.988 3.612 1.00 71.41 C ATOM 232 OG1 THR A 17 6.382 -10.502 2.820 1.00 20.43 O ATOM 233 CG2 THR A 17 4.076 -10.107 3.499 1.00 43.51 C ATOM 0 H THR A 17 6.957 -9.403 5.187 1.00 75.12 H new ATOM 0 HA THR A 17 5.052 -11.598 5.679 1.00 52.34 H new ATOM 0 HB THR A 17 5.001 -11.966 3.250 1.00 71.41 H new ATOM 0 HG1 THR A 17 6.081 -9.721 2.310 1.00 20.43 H new ATOM 0 HG21 THR A 17 3.769 -10.043 2.455 1.00 43.51 H new ATOM 0 HG22 THR A 17 3.268 -10.539 4.089 1.00 43.51 H new ATOM 0 HG23 THR A 17 4.304 -9.109 3.872 1.00 43.51 H new ATOM 241 N TYR A 18 6.966 -13.214 4.465 1.00 31.15 N ATOM 242 CA TYR A 18 8.067 -14.167 4.295 1.00 75.33 C ATOM 243 C TYR A 18 8.788 -14.106 2.931 1.00 32.43 C ATOM 244 O TYR A 18 9.602 -14.988 2.653 1.00 42.52 O ATOM 245 CB TYR A 18 7.632 -15.585 4.717 1.00 40.30 C ATOM 246 CG TYR A 18 6.563 -16.338 3.932 1.00 41.34 C ATOM 247 CD1 TYR A 18 5.989 -15.851 2.738 1.00 20.31 C ATOM 248 CD2 TYR A 18 6.123 -17.573 4.445 1.00 24.33 C ATOM 249 CE1 TYR A 18 4.973 -16.583 2.086 1.00 20.14 C ATOM 250 CE2 TYR A 18 5.131 -18.320 3.789 1.00 11.51 C ATOM 251 CZ TYR A 18 4.537 -17.820 2.612 1.00 44.52 C ATOM 252 OH TYR A 18 3.576 -18.546 1.978 1.00 12.12 O ATOM 0 H TYR A 18 6.096 -13.538 4.043 1.00 31.15 H new ATOM 0 HA TYR A 18 8.852 -13.848 4.980 1.00 75.33 H new ATOM 0 HB2 TYR A 18 8.527 -16.208 4.719 1.00 40.30 H new ATOM 0 HB3 TYR A 18 7.286 -15.521 5.749 1.00 40.30 H new ATOM 0 HD1 TYR A 18 6.329 -14.914 2.321 1.00 20.31 H new ATOM 0 HD2 TYR A 18 6.556 -17.953 5.359 1.00 24.33 H new ATOM 0 HE1 TYR A 18 4.527 -16.196 1.182 1.00 20.14 H new ATOM 0 HE2 TYR A 18 4.823 -19.276 4.186 1.00 11.51 H new ATOM 0 HH TYR A 18 2.698 -18.321 2.350 1.00 12.12 H new ATOM 261 N PHE A 19 8.588 -13.082 2.093 1.00 54.12 N ATOM 262 CA PHE A 19 9.267 -12.938 0.794 1.00 53.14 C ATOM 263 C PHE A 19 9.732 -11.492 0.576 1.00 63.34 C ATOM 264 O PHE A 19 9.575 -10.652 1.461 1.00 11.44 O ATOM 265 CB PHE A 19 8.337 -13.418 -0.339 1.00 21.31 C ATOM 266 CG PHE A 19 6.954 -12.803 -0.279 1.00 51.44 C ATOM 267 CD1 PHE A 19 6.764 -11.415 -0.426 1.00 33.45 C ATOM 268 CD2 PHE A 19 5.865 -13.612 0.075 1.00 52.31 C ATOM 269 CE1 PHE A 19 5.520 -10.838 -0.136 1.00 75.11 C ATOM 270 CE2 PHE A 19 4.646 -13.028 0.418 1.00 14.45 C ATOM 271 CZ PHE A 19 4.471 -11.643 0.315 1.00 22.11 C ATOM 0 H PHE A 19 7.943 -12.319 2.298 1.00 54.12 H new ATOM 0 HA PHE A 19 10.160 -13.564 0.788 1.00 53.14 H new ATOM 0 HB2 PHE A 19 8.792 -13.178 -1.300 1.00 21.31 H new ATOM 0 HB3 PHE A 19 8.247 -14.503 -0.291 1.00 21.31 H new ATOM 0 HD1 PHE A 19 7.580 -10.793 -0.763 1.00 33.45 H new ATOM 0 HD2 PHE A 19 5.970 -14.687 0.082 1.00 52.31 H new ATOM 0 HE1 PHE A 19 5.373 -9.775 -0.261 1.00 75.11 H new ATOM 0 HE2 PHE A 19 3.832 -13.648 0.765 1.00 14.45 H new ATOM 0 HZ PHE A 19 3.525 -11.197 0.584 1.00 22.11 H new ATOM 280 N ASN A 20 10.260 -11.210 -0.618 1.00 34.04 N ATOM 281 CA ASN A 20 10.538 -9.903 -1.220 1.00 3.12 C ATOM 282 C ASN A 20 9.517 -9.671 -2.346 1.00 33.34 C ATOM 283 O ASN A 20 9.004 -10.646 -2.910 1.00 73.11 O ATOM 284 CB ASN A 20 11.971 -9.946 -1.783 1.00 75.32 C ATOM 285 CG ASN A 20 12.351 -8.697 -2.565 1.00 35.13 C ATOM 286 OD1 ASN A 20 12.890 -7.750 -2.029 1.00 35.24 O ATOM 287 ND2 ASN A 20 12.150 -8.659 -3.867 1.00 20.25 N ATOM 0 H ASN A 20 10.530 -11.965 -1.249 1.00 34.04 H new ATOM 0 HA ASN A 20 10.457 -9.093 -0.496 1.00 3.12 H new ATOM 0 HB2 ASN A 20 12.673 -10.078 -0.960 1.00 75.32 H new ATOM 0 HB3 ASN A 20 12.073 -10.816 -2.431 1.00 75.32 H new ATOM 0 HD21 ASN A 20 12.446 -7.844 -4.405 1.00 20.25 H new ATOM 0 HD22 ASN A 20 11.699 -9.444 -4.337 1.00 20.25 H new ATOM 293 N VAL A 21 9.226 -8.419 -2.705 1.00 75.32 N ATOM 294 CA VAL A 21 8.353 -8.058 -3.833 1.00 74.00 C ATOM 295 C VAL A 21 9.074 -7.051 -4.731 1.00 15.21 C ATOM 296 O VAL A 21 9.974 -6.360 -4.271 1.00 0.53 O ATOM 297 CB VAL A 21 7.001 -7.500 -3.338 1.00 52.24 C ATOM 298 CG1 VAL A 21 6.222 -8.517 -2.510 1.00 61.30 C ATOM 299 CG2 VAL A 21 7.150 -6.246 -2.469 1.00 52.12 C ATOM 0 H VAL A 21 9.597 -7.607 -2.211 1.00 75.32 H new ATOM 0 HA VAL A 21 8.134 -8.955 -4.412 1.00 74.00 H new ATOM 0 HB VAL A 21 6.464 -7.256 -4.255 1.00 52.24 H new ATOM 0 HG11 VAL A 21 5.279 -8.076 -2.186 1.00 61.30 H new ATOM 0 HG12 VAL A 21 6.020 -9.401 -3.115 1.00 61.30 H new ATOM 0 HG13 VAL A 21 6.809 -8.801 -1.637 1.00 61.30 H new ATOM 0 HG21 VAL A 21 6.165 -5.903 -2.153 1.00 52.12 H new ATOM 0 HG22 VAL A 21 7.751 -6.481 -1.591 1.00 52.12 H new ATOM 0 HG23 VAL A 21 7.640 -5.461 -3.044 1.00 52.12 H new ATOM 309 N LYS A 22 8.684 -6.929 -6.006 1.00 3.42 N ATOM 310 CA LYS A 22 9.441 -6.171 -7.020 1.00 12.32 C ATOM 311 C LYS A 22 8.570 -5.423 -8.019 1.00 42.40 C ATOM 312 O LYS A 22 9.022 -5.089 -9.113 1.00 12.13 O ATOM 313 CB LYS A 22 10.434 -7.109 -7.728 1.00 0.12 C ATOM 314 CG LYS A 22 9.758 -8.271 -8.481 1.00 35.32 C ATOM 315 CD LYS A 22 9.768 -9.555 -7.661 1.00 15.12 C ATOM 316 CE LYS A 22 8.865 -10.647 -8.232 1.00 42.24 C ATOM 317 NZ LYS A 22 9.376 -11.198 -9.500 1.00 34.21 N ATOM 0 H LYS A 22 7.831 -7.354 -6.369 1.00 3.42 H new ATOM 0 HA LYS A 22 9.985 -5.390 -6.489 1.00 12.32 H new ATOM 0 HB2 LYS A 22 11.029 -6.528 -8.433 1.00 0.12 H new ATOM 0 HB3 LYS A 22 11.123 -7.518 -6.990 1.00 0.12 H new ATOM 0 HG2 LYS A 22 8.730 -8.000 -8.721 1.00 35.32 H new ATOM 0 HG3 LYS A 22 10.272 -8.439 -9.427 1.00 35.32 H new ATOM 0 HD2 LYS A 22 10.789 -9.932 -7.603 1.00 15.12 H new ATOM 0 HD3 LYS A 22 9.453 -9.329 -6.642 1.00 15.12 H new ATOM 0 HE2 LYS A 22 8.768 -11.452 -7.503 1.00 42.24 H new ATOM 0 HE3 LYS A 22 7.866 -10.241 -8.393 1.00 42.24 H new ATOM 0 HZ1 LYS A 22 8.728 -11.934 -9.845 1.00 34.21 H new ATOM 0 HZ2 LYS A 22 9.444 -10.438 -10.206 1.00 34.21 H new ATOM 0 HZ3 LYS A 22 10.318 -11.611 -9.345 1.00 34.21 H new ATOM 327 N ASN A 23 7.288 -5.248 -7.708 1.00 41.24 N ATOM 328 CA ASN A 23 6.305 -4.868 -8.723 1.00 11.14 C ATOM 329 C ASN A 23 4.989 -4.471 -8.068 1.00 4.34 C ATOM 330 O ASN A 23 3.949 -5.082 -8.322 1.00 31.34 O ATOM 331 CB ASN A 23 6.077 -6.001 -9.761 1.00 52.13 C ATOM 332 CG ASN A 23 5.926 -7.400 -9.177 1.00 75.23 C ATOM 333 OD1 ASN A 23 5.296 -7.540 -8.028 1.00 3.33 O flip ATOM 334 ND2 ASN A 23 6.437 -8.368 -9.723 1.00 24.15 N flip ATOM 0 H ASN A 23 6.906 -5.362 -6.769 1.00 41.24 H new ATOM 0 HA ASN A 23 6.705 -4.009 -9.261 1.00 11.14 H new ATOM 0 HB2 ASN A 23 5.182 -5.768 -10.338 1.00 52.13 H new ATOM 0 HB3 ASN A 23 6.914 -6.005 -10.459 1.00 52.13 H new ATOM 0 HD21 ASN A 23 6.923 -8.254 -10.612 1.00 24.15 H new ATOM 0 HD22 ASN A 23 6.377 -9.289 -9.289 1.00 24.15 H new ATOM 340 N ILE A 24 5.014 -3.508 -7.158 1.00 42.33 N ATOM 341 CA ILE A 24 3.794 -3.086 -6.474 1.00 21.35 C ATOM 342 C ILE A 24 3.161 -1.983 -7.329 1.00 54.22 C ATOM 343 O ILE A 24 3.783 -0.935 -7.485 1.00 15.01 O ATOM 344 CB ILE A 24 4.103 -2.617 -5.030 1.00 53.42 C ATOM 345 CG1 ILE A 24 5.156 -3.507 -4.327 1.00 35.44 C ATOM 346 CG2 ILE A 24 2.792 -2.598 -4.229 1.00 61.31 C ATOM 347 CD1 ILE A 24 5.504 -3.036 -2.916 1.00 20.41 C ATOM 0 H ILE A 24 5.856 -3.006 -6.876 1.00 42.33 H new ATOM 0 HA ILE A 24 3.093 -3.914 -6.368 1.00 21.35 H new ATOM 0 HB ILE A 24 4.533 -1.617 -5.080 1.00 53.42 H new ATOM 0 HG12 ILE A 24 4.782 -4.530 -4.279 1.00 35.44 H new ATOM 0 HG13 ILE A 24 6.064 -3.527 -4.930 1.00 35.44 H new ATOM 0 HG21 ILE A 24 2.993 -2.270 -3.209 1.00 61.31 H new ATOM 0 HG22 ILE A 24 2.088 -1.911 -4.699 1.00 61.31 H new ATOM 0 HG23 ILE A 24 2.363 -3.600 -4.209 1.00 61.31 H new ATOM 0 HD11 ILE A 24 6.247 -3.705 -2.482 1.00 20.41 H new ATOM 0 HD12 ILE A 24 5.907 -2.024 -2.959 1.00 20.41 H new ATOM 0 HD13 ILE A 24 4.606 -3.042 -2.298 1.00 20.41 H new ATOM 358 N LYS A 25 1.972 -2.194 -7.911 1.00 20.11 N ATOM 359 CA LYS A 25 1.090 -1.076 -8.287 1.00 61.33 C ATOM 360 C LYS A 25 0.393 -0.688 -6.993 1.00 62.30 C ATOM 361 O LYS A 25 -0.087 -1.573 -6.275 1.00 33.14 O ATOM 362 CB LYS A 25 0.001 -1.491 -9.309 1.00 51.32 C ATOM 363 CG LYS A 25 0.216 -1.137 -10.792 1.00 15.03 C ATOM 364 CD LYS A 25 -0.420 0.150 -11.333 1.00 24.44 C ATOM 365 CE LYS A 25 0.173 1.468 -10.835 1.00 32.33 C ATOM 366 NZ LYS A 25 0.000 2.529 -11.854 1.00 40.22 N ATOM 0 H LYS A 25 1.600 -3.118 -8.131 1.00 20.11 H new ATOM 0 HA LYS A 25 1.671 -0.278 -8.749 1.00 61.33 H new ATOM 0 HB2 LYS A 25 -0.124 -2.572 -9.240 1.00 51.32 H new ATOM 0 HB3 LYS A 25 -0.940 -1.040 -8.993 1.00 51.32 H new ATOM 0 HG2 LYS A 25 1.290 -1.076 -10.967 1.00 15.03 H new ATOM 0 HG3 LYS A 25 -0.157 -1.969 -11.390 1.00 15.03 H new ATOM 0 HD2 LYS A 25 -0.349 0.134 -12.421 1.00 24.44 H new ATOM 0 HD3 LYS A 25 -1.481 0.137 -11.082 1.00 24.44 H new ATOM 0 HE2 LYS A 25 -0.313 1.765 -9.906 1.00 32.33 H new ATOM 0 HE3 LYS A 25 1.232 1.337 -10.613 1.00 32.33 H new ATOM 0 HZ1 LYS A 25 -0.034 3.457 -11.386 1.00 40.22 H new ATOM 0 HZ2 LYS A 25 0.799 2.505 -12.519 1.00 40.22 H new ATOM 0 HZ3 LYS A 25 -0.887 2.371 -12.373 1.00 40.22 H new ATOM 376 N VAL A 26 0.281 0.610 -6.724 1.00 4.02 N ATOM 377 CA VAL A 26 -0.652 1.070 -5.712 1.00 14.21 C ATOM 378 C VAL A 26 -1.559 2.080 -6.390 1.00 21.24 C ATOM 379 O VAL A 26 -1.080 2.815 -7.254 1.00 62.41 O ATOM 380 CB VAL A 26 0.065 1.650 -4.484 1.00 32.52 C ATOM 381 CG1 VAL A 26 1.243 0.786 -4.052 1.00 4.25 C ATOM 382 CG2 VAL A 26 0.527 3.110 -4.514 1.00 13.01 C ATOM 0 H VAL A 26 0.816 1.346 -7.185 1.00 4.02 H new ATOM 0 HA VAL A 26 -1.238 0.239 -5.318 1.00 14.21 H new ATOM 0 HB VAL A 26 -0.753 1.639 -3.764 1.00 32.52 H new ATOM 0 HG11 VAL A 26 1.722 1.233 -3.180 1.00 4.25 H new ATOM 0 HG12 VAL A 26 0.888 -0.213 -3.799 1.00 4.25 H new ATOM 0 HG13 VAL A 26 1.964 0.719 -4.867 1.00 4.25 H new ATOM 0 HG21 VAL A 26 1.013 3.357 -3.570 1.00 13.01 H new ATOM 0 HG22 VAL A 26 1.232 3.252 -5.333 1.00 13.01 H new ATOM 0 HG23 VAL A 26 -0.335 3.761 -4.660 1.00 13.01 H new ATOM 392 N THR A 27 -2.811 2.151 -5.958 1.00 71.11 N ATOM 393 CA THR A 27 -3.787 3.163 -6.337 1.00 34.21 C ATOM 394 C THR A 27 -4.267 3.789 -5.031 1.00 4.25 C ATOM 395 O THR A 27 -4.342 3.066 -4.032 1.00 11.23 O ATOM 396 CB THR A 27 -4.950 2.494 -7.093 1.00 60.22 C ATOM 397 OG1 THR A 27 -4.494 1.452 -7.937 1.00 23.33 O ATOM 398 CG2 THR A 27 -5.767 3.496 -7.898 1.00 14.02 C ATOM 0 H THR A 27 -3.192 1.470 -5.301 1.00 71.11 H new ATOM 0 HA THR A 27 -3.366 3.922 -6.997 1.00 34.21 H new ATOM 0 HB THR A 27 -5.600 2.065 -6.331 1.00 60.22 H new ATOM 0 HG1 THR A 27 -4.372 0.634 -7.411 1.00 23.33 H new ATOM 0 HG21 THR A 27 -6.575 2.976 -8.413 1.00 14.02 H new ATOM 0 HG22 THR A 27 -6.187 4.245 -7.227 1.00 14.02 H new ATOM 0 HG23 THR A 27 -5.124 3.984 -8.631 1.00 14.02 H new ATOM 406 N TRP A 28 -4.568 5.087 -4.990 1.00 64.51 N ATOM 407 CA TRP A 28 -5.062 5.781 -3.794 1.00 71.52 C ATOM 408 C TRP A 28 -6.163 6.793 -4.117 1.00 54.44 C ATOM 409 O TRP A 28 -6.499 7.676 -3.334 1.00 51.30 O ATOM 410 CB TRP A 28 -3.902 6.427 -3.045 1.00 24.34 C ATOM 411 CG TRP A 28 -3.213 7.569 -3.712 1.00 34.43 C ATOM 412 CD1 TRP A 28 -3.471 8.884 -3.533 1.00 3.22 C ATOM 413 CD2 TRP A 28 -2.104 7.504 -4.638 1.00 44.22 C ATOM 414 NE1 TRP A 28 -2.594 9.633 -4.295 1.00 72.50 N ATOM 415 CE2 TRP A 28 -1.725 8.825 -5.006 1.00 71.21 C ATOM 416 CE3 TRP A 28 -1.396 6.432 -5.201 1.00 62.51 C ATOM 417 CZ2 TRP A 28 -0.683 9.056 -5.917 1.00 12.21 C ATOM 418 CZ3 TRP A 28 -0.341 6.652 -6.101 1.00 22.35 C ATOM 419 CH2 TRP A 28 0.015 7.964 -6.460 1.00 12.13 C ATOM 0 H TRP A 28 -4.475 5.699 -5.800 1.00 64.51 H new ATOM 0 HA TRP A 28 -5.521 5.036 -3.144 1.00 71.52 H new ATOM 0 HB2 TRP A 28 -4.273 6.773 -2.080 1.00 24.34 H new ATOM 0 HB3 TRP A 28 -3.159 5.656 -2.842 1.00 24.34 H new ATOM 0 HD1 TRP A 28 -4.243 9.287 -2.894 1.00 3.22 H new ATOM 0 HE1 TRP A 28 -2.588 10.652 -4.329 1.00 72.50 H new ATOM 0 HE3 TRP A 28 -1.667 5.420 -4.938 1.00 62.51 H new ATOM 0 HZ2 TRP A 28 -0.420 10.065 -6.199 1.00 12.21 H new ATOM 0 HZ3 TRP A 28 0.197 5.813 -6.518 1.00 22.35 H new ATOM 0 HH2 TRP A 28 0.826 8.133 -7.154 1.00 12.13 H new ATOM 429 N ASN A 29 -6.734 6.705 -5.306 1.00 21.51 N ATOM 430 CA ASN A 29 -7.952 7.415 -5.648 1.00 14.01 C ATOM 431 C ASN A 29 -8.607 6.654 -6.789 1.00 62.34 C ATOM 432 O ASN A 29 -8.311 5.472 -6.983 1.00 12.34 O ATOM 433 CB ASN A 29 -7.643 8.886 -5.977 1.00 73.21 C ATOM 434 CG ASN A 29 -8.720 9.766 -5.380 1.00 4.41 C ATOM 435 OD1 ASN A 29 -9.700 10.071 -6.047 1.00 41.21 O ATOM 436 ND2 ASN A 29 -8.571 10.109 -4.108 1.00 55.32 N ATOM 0 H ASN A 29 -6.362 6.135 -6.066 1.00 21.51 H new ATOM 0 HA ASN A 29 -8.651 7.454 -4.812 1.00 14.01 H new ATOM 0 HB2 ASN A 29 -6.667 9.163 -5.578 1.00 73.21 H new ATOM 0 HB3 ASN A 29 -7.598 9.028 -7.057 1.00 73.21 H new ATOM 0 HD21 ASN A 29 -9.294 10.654 -3.639 1.00 55.32 H new ATOM 0 HD22 ASN A 29 -7.733 9.828 -3.599 1.00 55.32 H new ATOM 442 N ASP A 30 -9.474 7.294 -7.561 1.00 51.30 N ATOM 443 CA ASP A 30 -9.761 6.848 -8.913 1.00 41.22 C ATOM 444 C ASP A 30 -8.817 7.646 -9.801 1.00 1.13 C ATOM 445 O ASP A 30 -8.998 8.853 -9.968 1.00 24.23 O ATOM 446 CB ASP A 30 -11.261 6.977 -9.246 1.00 32.23 C ATOM 447 CG ASP A 30 -12.092 5.883 -8.553 1.00 33.13 C ATOM 448 OD1 ASP A 30 -11.544 4.799 -8.242 1.00 75.51 O ATOM 449 OD2 ASP A 30 -13.293 6.091 -8.259 1.00 63.33 O ATOM 0 H ASP A 30 -9.990 8.125 -7.272 1.00 51.30 H new ATOM 0 HA ASP A 30 -9.581 5.784 -9.066 1.00 41.22 H new ATOM 0 HB2 ASP A 30 -11.620 7.958 -8.936 1.00 32.23 H new ATOM 0 HB3 ASP A 30 -11.401 6.913 -10.325 1.00 32.23 H new ATOM 453 N GLY A 31 -7.747 7.001 -10.271 1.00 12.12 N ATOM 454 CA GLY A 31 -6.815 7.519 -11.272 1.00 35.13 C ATOM 455 C GLY A 31 -5.456 7.949 -10.715 1.00 0.33 C ATOM 456 O GLY A 31 -4.554 8.288 -11.479 1.00 72.33 O ATOM 0 H GLY A 31 -7.497 6.065 -9.951 1.00 12.12 H new ATOM 0 HA2 GLY A 31 -6.656 6.754 -12.032 1.00 35.13 H new ATOM 0 HA3 GLY A 31 -7.275 8.372 -11.771 1.00 35.13 H new ATOM 460 N LYS A 32 -5.278 7.998 -9.395 1.00 72.33 N ATOM 461 CA LYS A 32 -4.021 8.210 -8.732 1.00 20.12 C ATOM 462 C LYS A 32 -3.457 6.836 -8.438 1.00 51.03 C ATOM 463 O LYS A 32 -3.905 6.175 -7.500 1.00 0.23 O ATOM 464 CB LYS A 32 -4.279 9.021 -7.460 1.00 32.14 C ATOM 465 CG LYS A 32 -3.590 10.372 -7.530 1.00 63.21 C ATOM 466 CD LYS A 32 -4.254 11.369 -8.486 1.00 73.43 C ATOM 467 CE LYS A 32 -3.316 11.842 -9.597 1.00 15.34 C ATOM 468 NZ LYS A 32 -3.981 12.874 -10.413 1.00 2.32 N ATOM 0 H LYS A 32 -6.052 7.884 -8.741 1.00 72.33 H new ATOM 0 HA LYS A 32 -3.305 8.770 -9.334 1.00 20.12 H new ATOM 0 HB2 LYS A 32 -5.351 9.162 -7.325 1.00 32.14 H new ATOM 0 HB3 LYS A 32 -3.918 8.469 -6.592 1.00 32.14 H new ATOM 0 HG2 LYS A 32 -3.565 10.806 -6.531 1.00 63.21 H new ATOM 0 HG3 LYS A 32 -2.555 10.224 -7.839 1.00 63.21 H new ATOM 0 HD2 LYS A 32 -5.134 10.906 -8.933 1.00 73.43 H new ATOM 0 HD3 LYS A 32 -4.602 12.232 -7.919 1.00 73.43 H new ATOM 0 HE2 LYS A 32 -2.400 12.243 -9.164 1.00 15.34 H new ATOM 0 HE3 LYS A 32 -3.029 10.999 -10.225 1.00 15.34 H new ATOM 0 HZ1 LYS A 32 -3.337 13.190 -11.166 1.00 2.32 H new ATOM 0 HZ2 LYS A 32 -4.843 12.478 -10.839 1.00 2.32 H new ATOM 0 HZ3 LYS A 32 -4.233 13.684 -9.811 1.00 2.32 H new ATOM 478 N GLU A 33 -2.508 6.395 -9.249 1.00 64.53 N ATOM 479 CA GLU A 33 -1.725 5.197 -9.025 1.00 53.40 C ATOM 480 C GLU A 33 -0.294 5.478 -9.463 1.00 51.41 C ATOM 481 O GLU A 33 -0.037 6.405 -10.238 1.00 1.44 O ATOM 482 CB GLU A 33 -2.337 3.985 -9.758 1.00 33.23 C ATOM 483 CG GLU A 33 -2.589 4.083 -11.267 1.00 72.10 C ATOM 484 CD GLU A 33 -3.840 4.854 -11.718 1.00 73.43 C ATOM 485 OE1 GLU A 33 -4.899 4.790 -11.053 1.00 4.35 O ATOM 486 OE2 GLU A 33 -3.773 5.454 -12.812 1.00 21.34 O ATOM 0 H GLU A 33 -2.256 6.880 -10.110 1.00 64.53 H new ATOM 0 HA GLU A 33 -1.728 4.936 -7.967 1.00 53.40 H new ATOM 0 HB2 GLU A 33 -1.681 3.131 -9.588 1.00 33.23 H new ATOM 0 HB3 GLU A 33 -3.289 3.756 -9.279 1.00 33.23 H new ATOM 0 HG2 GLU A 33 -1.719 4.552 -11.726 1.00 72.10 H new ATOM 0 HG3 GLU A 33 -2.653 3.071 -11.666 1.00 72.10 H new ATOM 491 N GLN A 34 0.635 4.658 -8.976 1.00 24.41 N ATOM 492 CA GLN A 34 2.056 4.649 -9.348 1.00 43.11 C ATOM 493 C GLN A 34 2.656 3.274 -9.003 1.00 33.13 C ATOM 494 O GLN A 34 1.931 2.432 -8.460 1.00 13.22 O ATOM 495 CB GLN A 34 2.780 5.882 -8.762 1.00 32.31 C ATOM 496 CG GLN A 34 3.076 5.883 -7.255 1.00 42.11 C ATOM 497 CD GLN A 34 4.466 5.333 -6.982 1.00 2.01 C ATOM 498 OE1 GLN A 34 4.565 4.215 -6.295 1.00 43.44 O flip ATOM 499 NE2 GLN A 34 5.472 5.864 -7.443 1.00 60.14 N flip ATOM 0 H GLN A 34 0.412 3.948 -8.279 1.00 24.41 H new ATOM 0 HA GLN A 34 2.193 4.761 -10.424 1.00 43.11 H new ATOM 0 HB2 GLN A 34 3.726 5.998 -9.290 1.00 32.31 H new ATOM 0 HB3 GLN A 34 2.179 6.763 -8.987 1.00 32.31 H new ATOM 0 HG2 GLN A 34 2.997 6.898 -6.864 1.00 42.11 H new ATOM 0 HG3 GLN A 34 2.332 5.282 -6.732 1.00 42.11 H new ATOM 0 HE21 GLN A 34 5.393 6.731 -7.975 1.00 60.14 H new ATOM 0 HE22 GLN A 34 6.387 5.439 -7.294 1.00 60.14 H new ATOM 506 N THR A 35 3.922 2.996 -9.342 1.00 60.52 N ATOM 507 CA THR A 35 4.542 1.694 -9.071 1.00 35.44 C ATOM 508 C THR A 35 5.793 1.837 -8.209 1.00 51.31 C ATOM 509 O THR A 35 6.406 2.905 -8.199 1.00 21.34 O ATOM 510 CB THR A 35 4.799 0.901 -10.367 1.00 40.23 C ATOM 511 OG1 THR A 35 5.668 1.548 -11.274 1.00 35.44 O ATOM 512 CG2 THR A 35 3.502 0.639 -11.111 1.00 23.35 C ATOM 0 H THR A 35 4.540 3.661 -9.808 1.00 60.52 H new ATOM 0 HA THR A 35 3.831 1.106 -8.490 1.00 35.44 H new ATOM 0 HB THR A 35 5.268 -0.023 -10.031 1.00 40.23 H new ATOM 0 HG1 THR A 35 5.786 0.988 -12.070 1.00 35.44 H new ATOM 0 HG21 THR A 35 3.712 0.078 -12.022 1.00 23.35 H new ATOM 0 HG22 THR A 35 2.829 0.063 -10.477 1.00 23.35 H new ATOM 0 HG23 THR A 35 3.033 1.588 -11.370 1.00 23.35 H new ATOM 520 N VAL A 36 6.172 0.780 -7.485 1.00 73.21 N ATOM 521 CA VAL A 36 7.287 0.819 -6.549 1.00 4.55 C ATOM 522 C VAL A 36 8.260 -0.309 -6.917 1.00 12.54 C ATOM 523 O VAL A 36 7.847 -1.456 -7.126 1.00 75.12 O ATOM 524 CB VAL A 36 6.808 0.718 -5.084 1.00 43.50 C ATOM 525 CG1 VAL A 36 7.858 1.385 -4.178 1.00 21.01 C ATOM 526 CG2 VAL A 36 5.452 1.355 -4.741 1.00 72.41 C ATOM 0 H VAL A 36 5.709 -0.128 -7.536 1.00 73.21 H new ATOM 0 HA VAL A 36 7.799 1.778 -6.625 1.00 4.55 H new ATOM 0 HB VAL A 36 6.679 -0.352 -4.924 1.00 43.50 H new ATOM 0 HG11 VAL A 36 7.535 1.322 -3.139 1.00 21.01 H new ATOM 0 HG12 VAL A 36 8.814 0.874 -4.292 1.00 21.01 H new ATOM 0 HG13 VAL A 36 7.970 2.432 -4.460 1.00 21.01 H new ATOM 0 HG21 VAL A 36 5.240 1.211 -3.682 1.00 72.41 H new ATOM 0 HG22 VAL A 36 5.485 2.422 -4.963 1.00 72.41 H new ATOM 0 HG23 VAL A 36 4.668 0.885 -5.335 1.00 72.41 H new ATOM 536 N ASN A 37 9.544 0.054 -6.989 1.00 42.13 N ATOM 537 CA ASN A 37 10.681 -0.714 -7.489 1.00 12.45 C ATOM 538 C ASN A 37 10.781 -2.119 -6.902 1.00 14.43 C ATOM 539 O ASN A 37 10.697 -3.112 -7.625 1.00 34.43 O ATOM 540 CB ASN A 37 11.972 0.073 -7.196 1.00 13.12 C ATOM 541 CG ASN A 37 13.228 -0.606 -7.731 1.00 44.53 C ATOM 542 OD1 ASN A 37 13.206 -1.258 -8.775 1.00 12.21 O ATOM 543 ND2 ASN A 37 14.345 -0.448 -7.050 1.00 43.12 N ATOM 0 H ASN A 37 9.837 0.977 -6.669 1.00 42.13 H new ATOM 0 HA ASN A 37 10.535 -0.850 -8.561 1.00 12.45 H new ATOM 0 HB2 ASN A 37 11.890 1.067 -7.635 1.00 13.12 H new ATOM 0 HB3 ASN A 37 12.071 0.207 -6.119 1.00 13.12 H new ATOM 0 HD21 ASN A 37 15.211 -0.869 -7.386 1.00 43.12 H new ATOM 0 HD22 ASN A 37 14.344 0.096 -6.187 1.00 43.12 H new ATOM 549 N THR A 38 11.068 -2.228 -5.607 1.00 35.41 N ATOM 550 CA THR A 38 11.218 -3.475 -4.872 1.00 13.35 C ATOM 551 C THR A 38 10.987 -3.171 -3.393 1.00 22.34 C ATOM 552 O THR A 38 11.104 -2.014 -2.972 1.00 74.04 O ATOM 553 CB THR A 38 12.619 -4.077 -5.142 1.00 44.34 C ATOM 554 OG1 THR A 38 12.953 -4.082 -6.518 1.00 22.43 O ATOM 555 CG2 THR A 38 12.824 -5.523 -4.702 1.00 24.12 C ATOM 0 H THR A 38 11.208 -1.408 -5.016 1.00 35.41 H new ATOM 0 HA THR A 38 10.491 -4.221 -5.195 1.00 13.35 H new ATOM 0 HB THR A 38 13.247 -3.416 -4.544 1.00 44.34 H new ATOM 0 HG1 THR A 38 12.133 -4.123 -7.053 1.00 22.43 H new ATOM 0 HG21 THR A 38 13.840 -5.836 -4.942 1.00 24.12 H new ATOM 0 HG22 THR A 38 12.664 -5.602 -3.627 1.00 24.12 H new ATOM 0 HG23 THR A 38 12.114 -6.166 -5.223 1.00 24.12 H new ATOM 563 N LEU A 39 10.611 -4.176 -2.606 1.00 31.25 N ATOM 564 CA LEU A 39 10.520 -4.070 -1.164 1.00 22.31 C ATOM 565 C LEU A 39 11.054 -5.356 -0.573 1.00 35.13 C ATOM 566 O LEU A 39 10.484 -6.428 -0.803 1.00 71.02 O ATOM 567 CB LEU A 39 9.082 -3.778 -0.695 1.00 4.52 C ATOM 568 CG LEU A 39 9.003 -2.968 0.605 1.00 35.34 C ATOM 569 CD1 LEU A 39 9.854 -1.695 0.523 1.00 71.30 C ATOM 570 CD2 LEU A 39 7.540 -2.561 0.843 1.00 75.34 C ATOM 0 H LEU A 39 10.359 -5.097 -2.964 1.00 31.25 H new ATOM 0 HA LEU A 39 11.116 -3.225 -0.818 1.00 22.31 H new ATOM 0 HB2 LEU A 39 8.557 -3.236 -1.482 1.00 4.52 H new ATOM 0 HB3 LEU A 39 8.557 -4.723 -0.555 1.00 4.52 H new ATOM 0 HG LEU A 39 9.380 -3.587 1.419 1.00 35.34 H new ATOM 0 HD11 LEU A 39 9.776 -1.144 1.460 1.00 71.30 H new ATOM 0 HD12 LEU A 39 10.895 -1.964 0.346 1.00 71.30 H new ATOM 0 HD13 LEU A 39 9.497 -1.071 -0.296 1.00 71.30 H new ATOM 0 HD21 LEU A 39 7.468 -1.984 1.765 1.00 75.34 H new ATOM 0 HD22 LEU A 39 7.190 -1.955 0.007 1.00 75.34 H new ATOM 0 HD23 LEU A 39 6.922 -3.455 0.926 1.00 75.34 H new ATOM 581 N GLY A 40 12.166 -5.207 0.139 1.00 24.44 N ATOM 582 CA GLY A 40 12.866 -6.263 0.830 1.00 73.44 C ATOM 583 C GLY A 40 11.973 -7.051 1.766 1.00 41.30 C ATOM 584 O GLY A 40 10.865 -6.644 2.124 1.00 62.13 O ATOM 0 H GLY A 40 12.618 -4.300 0.250 1.00 24.44 H new ATOM 0 HA2 GLY A 40 13.304 -6.941 0.098 1.00 73.44 H new ATOM 0 HA3 GLY A 40 13.690 -5.833 1.399 1.00 73.44 H new ATOM 588 N SER A 41 12.514 -8.168 2.223 1.00 35.24 N ATOM 589 CA SER A 41 11.981 -8.958 3.313 1.00 42.31 C ATOM 590 C SER A 41 11.813 -8.038 4.534 1.00 41.11 C ATOM 591 O SER A 41 12.812 -7.493 5.002 1.00 41.11 O ATOM 592 CB SER A 41 12.950 -10.129 3.562 1.00 62.22 C ATOM 593 OG SER A 41 13.307 -10.787 2.342 1.00 2.54 O ATOM 0 H SER A 41 13.368 -8.561 1.828 1.00 35.24 H new ATOM 0 HA SER A 41 11.002 -9.381 3.089 1.00 42.31 H new ATOM 0 HB2 SER A 41 13.850 -9.759 4.053 1.00 62.22 H new ATOM 0 HB3 SER A 41 12.488 -10.846 4.241 1.00 62.22 H new ATOM 0 HG SER A 41 13.924 -11.523 2.536 1.00 2.54 H new ATOM 598 N HIS A 42 10.574 -7.817 4.998 1.00 51.12 N ATOM 599 CA HIS A 42 10.230 -6.894 6.086 1.00 64.41 C ATOM 600 C HIS A 42 10.666 -5.440 5.853 1.00 1.32 C ATOM 601 O HIS A 42 10.709 -4.666 6.811 1.00 44.14 O ATOM 602 CB HIS A 42 10.631 -7.485 7.455 1.00 31.02 C ATOM 603 CG HIS A 42 9.466 -8.131 8.159 1.00 33.12 C ATOM 604 ND1 HIS A 42 8.708 -7.561 9.158 1.00 71.30 N ATOM 605 CD2 HIS A 42 8.946 -9.368 7.900 1.00 23.04 C ATOM 606 CE1 HIS A 42 7.771 -8.449 9.520 1.00 43.13 C ATOM 607 NE2 HIS A 42 7.853 -9.554 8.756 1.00 71.20 N ATOM 0 H HIS A 42 9.758 -8.292 4.612 1.00 51.12 H new ATOM 0 HA HIS A 42 9.144 -6.803 6.095 1.00 64.41 H new ATOM 0 HB2 HIS A 42 11.422 -8.222 7.313 1.00 31.02 H new ATOM 0 HB3 HIS A 42 11.041 -6.695 8.084 1.00 31.02 H new ATOM 0 HD2 HIS A 42 9.311 -10.074 7.169 1.00 23.04 H new ATOM 0 HE1 HIS A 42 7.052 -8.299 10.312 1.00 43.13 H new ATOM 0 HE2 HIS A 42 7.239 -10.368 8.793 1.00 71.20 H new ATOM 614 N ASP A 43 10.947 -5.017 4.613 1.00 74.21 N ATOM 615 CA ASP A 43 11.401 -3.642 4.382 1.00 12.11 C ATOM 616 C ASP A 43 10.204 -2.714 4.215 1.00 73.14 C ATOM 617 O ASP A 43 9.045 -3.146 4.196 1.00 72.33 O ATOM 618 CB ASP A 43 12.356 -3.539 3.187 1.00 51.12 C ATOM 619 CG ASP A 43 13.502 -2.549 3.402 1.00 15.11 C ATOM 620 OD1 ASP A 43 13.262 -1.438 3.914 1.00 43.53 O ATOM 621 OD2 ASP A 43 14.660 -2.860 3.048 1.00 4.11 O ATOM 0 H ASP A 43 10.870 -5.592 3.774 1.00 74.21 H new ATOM 0 HA ASP A 43 11.967 -3.328 5.259 1.00 12.11 H new ATOM 0 HB2 ASP A 43 12.773 -4.525 2.980 1.00 51.12 H new ATOM 0 HB3 ASP A 43 11.790 -3.240 2.305 1.00 51.12 H new ATOM 625 N SER A 44 10.494 -1.429 4.070 1.00 64.00 N ATOM 626 CA SER A 44 9.492 -0.383 3.913 1.00 52.41 C ATOM 627 C SER A 44 9.961 0.795 3.049 1.00 64.32 C ATOM 628 O SER A 44 11.148 1.093 2.939 1.00 20.35 O ATOM 629 CB SER A 44 8.966 0.067 5.282 1.00 64.10 C ATOM 630 OG SER A 44 9.958 0.181 6.287 1.00 73.40 O ATOM 0 H SER A 44 11.451 -1.077 4.058 1.00 64.00 H new ATOM 0 HA SER A 44 8.663 -0.820 3.356 1.00 52.41 H new ATOM 0 HB2 SER A 44 8.471 1.031 5.167 1.00 64.10 H new ATOM 0 HB3 SER A 44 8.209 -0.642 5.616 1.00 64.10 H new ATOM 0 HG SER A 44 9.542 0.473 7.125 1.00 73.40 H new ATOM 635 N ILE A 45 9.000 1.464 2.411 1.00 0.44 N ATOM 636 CA ILE A 45 9.168 2.561 1.460 1.00 24.14 C ATOM 637 C ILE A 45 7.974 3.475 1.646 1.00 3.14 C ATOM 638 O ILE A 45 6.872 3.000 1.918 1.00 23.02 O ATOM 639 CB ILE A 45 9.247 2.017 0.011 1.00 62.24 C ATOM 640 CG1 ILE A 45 9.245 3.117 -1.076 1.00 0.23 C ATOM 641 CG2 ILE A 45 8.069 1.080 -0.338 1.00 31.43 C ATOM 642 CD1 ILE A 45 10.489 3.990 -1.158 1.00 71.01 C ATOM 0 H ILE A 45 8.016 1.237 2.556 1.00 0.44 H new ATOM 0 HA ILE A 45 10.097 3.104 1.636 1.00 24.14 H new ATOM 0 HB ILE A 45 10.198 1.485 0.004 1.00 62.24 H new ATOM 0 HG12 ILE A 45 9.098 2.640 -2.045 1.00 0.23 H new ATOM 0 HG13 ILE A 45 8.384 3.764 -0.906 1.00 0.23 H new ATOM 0 HG21 ILE A 45 8.175 0.729 -1.364 1.00 31.43 H new ATOM 0 HG22 ILE A 45 8.070 0.226 0.340 1.00 31.43 H new ATOM 0 HG23 ILE A 45 7.129 1.623 -0.236 1.00 31.43 H new ATOM 0 HD11 ILE A 45 10.368 4.722 -1.956 1.00 71.01 H new ATOM 0 HD12 ILE A 45 10.633 4.508 -0.210 1.00 71.01 H new ATOM 0 HD13 ILE A 45 11.358 3.366 -1.367 1.00 71.01 H new ATOM 653 N ASP A 46 8.192 4.767 1.496 1.00 55.12 N ATOM 654 CA ASP A 46 7.170 5.782 1.547 1.00 55.31 C ATOM 655 C ASP A 46 7.384 6.711 0.376 1.00 22.44 C ATOM 656 O ASP A 46 8.519 6.986 -0.018 1.00 55.51 O ATOM 657 CB ASP A 46 7.156 6.588 2.853 1.00 64.01 C ATOM 658 CG ASP A 46 8.485 6.746 3.569 1.00 71.14 C ATOM 659 OD1 ASP A 46 9.290 7.627 3.189 1.00 40.40 O ATOM 660 OD2 ASP A 46 8.784 5.956 4.492 1.00 55.10 O ATOM 0 H ASP A 46 9.123 5.148 1.329 1.00 55.12 H new ATOM 0 HA ASP A 46 6.203 5.281 1.501 1.00 55.31 H new ATOM 0 HB2 ASP A 46 6.766 7.582 2.635 1.00 64.01 H new ATOM 0 HB3 ASP A 46 6.454 6.113 3.539 1.00 64.01 H new ATOM 664 N PHE A 47 6.275 7.185 -0.169 1.00 14.35 N ATOM 665 CA PHE A 47 6.252 8.072 -1.314 1.00 31.01 C ATOM 666 C PHE A 47 5.084 9.050 -1.195 1.00 43.14 C ATOM 667 O PHE A 47 4.082 8.790 -0.519 1.00 43.53 O ATOM 668 CB PHE A 47 6.197 7.249 -2.611 1.00 34.04 C ATOM 669 CG PHE A 47 5.215 6.093 -2.604 1.00 42.51 C ATOM 670 CD1 PHE A 47 5.633 4.851 -2.092 1.00 75.03 C ATOM 671 CD2 PHE A 47 3.894 6.261 -3.053 1.00 61.20 C ATOM 672 CE1 PHE A 47 4.727 3.790 -1.971 1.00 64.10 C ATOM 673 CE2 PHE A 47 2.990 5.188 -2.964 1.00 44.43 C ATOM 674 CZ PHE A 47 3.399 3.965 -2.398 1.00 44.42 C ATOM 0 H PHE A 47 5.345 6.956 0.183 1.00 14.35 H new ATOM 0 HA PHE A 47 7.167 8.664 -1.343 1.00 31.01 H new ATOM 0 HB2 PHE A 47 5.942 7.916 -3.435 1.00 34.04 H new ATOM 0 HB3 PHE A 47 7.193 6.857 -2.815 1.00 34.04 H new ATOM 0 HD1 PHE A 47 6.661 4.715 -1.790 1.00 75.03 H new ATOM 0 HD2 PHE A 47 3.575 7.208 -3.464 1.00 61.20 H new ATOM 0 HE1 PHE A 47 5.045 2.846 -1.554 1.00 64.10 H new ATOM 0 HE2 PHE A 47 1.980 5.302 -3.330 1.00 44.43 H new ATOM 0 HZ PHE A 47 2.689 3.158 -2.291 1.00 44.42 H new ATOM 683 N SER A 48 5.229 10.194 -1.858 1.00 31.45 N ATOM 684 CA SER A 48 4.220 11.232 -1.925 1.00 0.23 C ATOM 685 C SER A 48 3.013 10.739 -2.723 1.00 32.31 C ATOM 686 O SER A 48 3.133 9.892 -3.618 1.00 11.12 O ATOM 687 CB SER A 48 4.822 12.470 -2.599 1.00 60.42 C ATOM 688 OG SER A 48 4.519 13.662 -1.896 1.00 53.53 O ATOM 0 H SER A 48 6.077 10.425 -2.376 1.00 31.45 H new ATOM 0 HA SER A 48 3.891 11.486 -0.918 1.00 0.23 H new ATOM 0 HB2 SER A 48 5.904 12.355 -2.667 1.00 60.42 H new ATOM 0 HB3 SER A 48 4.445 12.546 -3.619 1.00 60.42 H new ATOM 0 HG SER A 48 4.923 14.426 -2.358 1.00 53.53 H new ATOM 693 N SER A 49 1.868 11.353 -2.440 1.00 71.02 N ATOM 694 CA SER A 49 0.570 11.003 -2.990 1.00 51.03 C ATOM 695 C SER A 49 -0.109 12.301 -3.415 1.00 31.52 C ATOM 696 O SER A 49 -0.281 13.196 -2.591 1.00 41.33 O ATOM 697 CB SER A 49 -0.277 10.231 -1.967 1.00 1.42 C ATOM 698 OG SER A 49 0.375 9.965 -0.735 1.00 51.33 O ATOM 0 H SER A 49 1.821 12.141 -1.794 1.00 71.02 H new ATOM 0 HA SER A 49 0.685 10.342 -3.849 1.00 51.03 H new ATOM 0 HB2 SER A 49 -1.186 10.799 -1.766 1.00 1.42 H new ATOM 0 HB3 SER A 49 -0.584 9.284 -2.411 1.00 1.42 H new ATOM 0 HG SER A 49 -0.230 10.174 0.007 1.00 51.33 H new ATOM 703 N ASP A 50 -0.473 12.400 -4.693 1.00 73.43 N ATOM 704 CA ASP A 50 -0.866 13.614 -5.425 1.00 71.31 C ATOM 705 C ASP A 50 -2.187 14.267 -4.977 1.00 72.51 C ATOM 706 O ASP A 50 -2.713 15.119 -5.692 1.00 0.22 O ATOM 707 CB ASP A 50 -0.901 13.295 -6.938 1.00 31.21 C ATOM 708 CG ASP A 50 0.236 13.993 -7.685 1.00 74.32 C ATOM 709 OD1 ASP A 50 0.167 15.232 -7.887 1.00 23.34 O ATOM 710 OD2 ASP A 50 1.191 13.279 -8.069 1.00 42.42 O ATOM 0 H ASP A 50 -0.505 11.575 -5.292 1.00 73.43 H new ATOM 0 HA ASP A 50 -0.110 14.363 -5.191 1.00 71.31 H new ATOM 0 HB2 ASP A 50 -0.827 12.218 -7.085 1.00 31.21 H new ATOM 0 HB3 ASP A 50 -1.858 13.609 -7.355 1.00 31.21 H new ATOM 714 N ALA A 51 -2.749 13.909 -3.820 1.00 41.34 N ATOM 715 CA ALA A 51 -3.953 14.527 -3.276 1.00 2.31 C ATOM 716 C ALA A 51 -3.775 14.783 -1.779 1.00 1.03 C ATOM 717 O ALA A 51 -3.049 14.052 -1.097 1.00 15.01 O ATOM 718 CB ALA A 51 -5.154 13.621 -3.569 1.00 64.42 C ATOM 0 H ALA A 51 -2.371 13.169 -3.228 1.00 41.34 H new ATOM 0 HA ALA A 51 -4.133 15.492 -3.749 1.00 2.31 H new ATOM 0 HB1 ALA A 51 -6.059 14.075 -3.166 1.00 64.42 H new ATOM 0 HB2 ALA A 51 -5.260 13.495 -4.646 1.00 64.42 H new ATOM 0 HB3 ALA A 51 -4.998 12.648 -3.103 1.00 64.42 H new ATOM 724 N GLY A 52 -4.450 15.804 -1.257 1.00 62.54 N ATOM 725 CA GLY A 52 -4.312 16.262 0.121 1.00 12.25 C ATOM 726 C GLY A 52 -4.978 15.346 1.138 1.00 3.32 C ATOM 727 O GLY A 52 -4.639 15.410 2.318 1.00 13.32 O ATOM 0 H GLY A 52 -5.124 16.349 -1.795 1.00 62.54 H new ATOM 0 HA2 GLY A 52 -3.252 16.349 0.362 1.00 12.25 H new ATOM 0 HA3 GLY A 52 -4.741 17.260 0.208 1.00 12.25 H new ATOM 731 N SER A 53 -5.909 14.509 0.700 1.00 4.01 N ATOM 732 CA SER A 53 -6.715 13.624 1.522 1.00 41.30 C ATOM 733 C SER A 53 -7.112 12.425 0.665 1.00 44.20 C ATOM 734 O SER A 53 -7.135 12.524 -0.567 1.00 54.02 O ATOM 735 CB SER A 53 -7.950 14.386 2.032 1.00 41.40 C ATOM 736 OG SER A 53 -8.474 15.269 1.048 1.00 3.12 O ATOM 0 H SER A 53 -6.132 14.427 -0.292 1.00 4.01 H new ATOM 0 HA SER A 53 -6.160 13.275 2.392 1.00 41.30 H new ATOM 0 HB2 SER A 53 -8.720 13.673 2.326 1.00 41.40 H new ATOM 0 HB3 SER A 53 -7.683 14.954 2.924 1.00 41.40 H new ATOM 0 HG SER A 53 -9.258 15.733 1.409 1.00 3.12 H new ATOM 741 N VAL A 54 -7.427 11.297 1.300 1.00 40.02 N ATOM 742 CA VAL A 54 -7.705 10.044 0.621 1.00 22.22 C ATOM 743 C VAL A 54 -8.449 9.074 1.539 1.00 64.33 C ATOM 744 O VAL A 54 -8.153 8.980 2.735 1.00 20.32 O ATOM 745 CB VAL A 54 -6.378 9.482 0.067 1.00 41.21 C ATOM 746 CG1 VAL A 54 -5.178 9.545 1.021 1.00 63.43 C ATOM 747 CG2 VAL A 54 -6.533 8.036 -0.400 1.00 1.02 C ATOM 0 H VAL A 54 -7.496 11.233 2.316 1.00 40.02 H new ATOM 0 HA VAL A 54 -8.376 10.205 -0.223 1.00 22.22 H new ATOM 0 HB VAL A 54 -6.157 10.150 -0.765 1.00 41.21 H new ATOM 0 HG11 VAL A 54 -4.300 9.124 0.530 1.00 63.43 H new ATOM 0 HG12 VAL A 54 -4.981 10.583 1.290 1.00 63.43 H new ATOM 0 HG13 VAL A 54 -5.399 8.973 1.922 1.00 63.43 H new ATOM 0 HG21 VAL A 54 -5.579 7.673 -0.784 1.00 1.02 H new ATOM 0 HG22 VAL A 54 -6.847 7.414 0.439 1.00 1.02 H new ATOM 0 HG23 VAL A 54 -7.284 7.987 -1.189 1.00 1.02 H new ATOM 757 N TYR A 55 -9.386 8.331 0.938 1.00 53.03 N ATOM 758 CA TYR A 55 -10.273 7.361 1.569 1.00 40.01 C ATOM 759 C TYR A 55 -10.185 5.958 0.963 1.00 55.34 C ATOM 760 O TYR A 55 -10.729 5.034 1.560 1.00 32.34 O ATOM 761 CB TYR A 55 -11.708 7.893 1.548 1.00 3.04 C ATOM 762 CG TYR A 55 -12.158 8.481 0.222 1.00 74.52 C ATOM 763 CD1 TYR A 55 -12.170 7.679 -0.935 1.00 23.15 C ATOM 764 CD2 TYR A 55 -12.552 9.828 0.141 1.00 43.43 C ATOM 765 CE1 TYR A 55 -12.520 8.224 -2.184 1.00 53.13 C ATOM 766 CE2 TYR A 55 -12.934 10.372 -1.097 1.00 62.43 C ATOM 767 CZ TYR A 55 -12.900 9.583 -2.265 1.00 21.34 C ATOM 768 OH TYR A 55 -13.248 10.158 -3.444 1.00 51.10 O ATOM 0 H TYR A 55 -9.551 8.400 -0.066 1.00 53.03 H new ATOM 0 HA TYR A 55 -9.940 7.243 2.600 1.00 40.01 H new ATOM 0 HB2 TYR A 55 -12.384 7.081 1.816 1.00 3.04 H new ATOM 0 HB3 TYR A 55 -11.807 8.657 2.319 1.00 3.04 H new ATOM 0 HD1 TYR A 55 -11.908 6.634 -0.863 1.00 23.15 H new ATOM 0 HD2 TYR A 55 -12.561 10.443 1.028 1.00 43.43 H new ATOM 0 HE1 TYR A 55 -12.499 7.610 -3.072 1.00 53.13 H new ATOM 0 HE2 TYR A 55 -13.256 11.401 -1.154 1.00 62.43 H new ATOM 0 HH TYR A 55 -13.479 11.099 -3.294 1.00 51.10 H new ATOM 777 N LYS A 56 -9.503 5.744 -0.168 1.00 54.23 N ATOM 778 CA LYS A 56 -9.431 4.428 -0.799 1.00 0.23 C ATOM 779 C LYS A 56 -8.021 4.115 -1.233 1.00 1.33 C ATOM 780 O LYS A 56 -7.217 5.026 -1.416 1.00 35.35 O ATOM 781 CB LYS A 56 -10.410 4.310 -1.976 1.00 13.02 C ATOM 782 CG LYS A 56 -10.025 5.101 -3.238 1.00 44.34 C ATOM 783 CD LYS A 56 -11.096 4.935 -4.324 1.00 63.10 C ATOM 784 CE LYS A 56 -11.152 3.507 -4.901 1.00 75.34 C ATOM 785 NZ LYS A 56 -12.162 3.391 -5.975 1.00 52.33 N ATOM 0 H LYS A 56 -8.991 6.473 -0.665 1.00 54.23 H new ATOM 0 HA LYS A 56 -9.728 3.690 -0.054 1.00 0.23 H new ATOM 0 HB2 LYS A 56 -10.505 3.257 -2.243 1.00 13.02 H new ATOM 0 HB3 LYS A 56 -11.393 4.645 -1.644 1.00 13.02 H new ATOM 0 HG2 LYS A 56 -9.909 6.156 -2.992 1.00 44.34 H new ATOM 0 HG3 LYS A 56 -9.062 4.754 -3.612 1.00 44.34 H new ATOM 0 HD2 LYS A 56 -12.070 5.191 -3.908 1.00 63.10 H new ATOM 0 HD3 LYS A 56 -10.899 5.640 -5.132 1.00 63.10 H new ATOM 0 HE2 LYS A 56 -10.172 3.234 -5.292 1.00 75.34 H new ATOM 0 HE3 LYS A 56 -11.385 2.801 -4.104 1.00 75.34 H new ATOM 0 HZ1 LYS A 56 -12.219 2.402 -6.292 1.00 52.33 H new ATOM 0 HZ2 LYS A 56 -13.089 3.693 -5.614 1.00 52.33 H new ATOM 0 HZ3 LYS A 56 -11.889 3.996 -6.775 1.00 52.33 H new ATOM 795 N MET A 57 -7.744 2.833 -1.419 1.00 23.22 N ATOM 796 CA MET A 57 -6.450 2.323 -1.800 1.00 31.51 C ATOM 797 C MET A 57 -6.686 0.959 -2.422 1.00 1.05 C ATOM 798 O MET A 57 -7.267 0.097 -1.776 1.00 52.30 O ATOM 799 CB MET A 57 -5.554 2.290 -0.559 1.00 72.14 C ATOM 800 CG MET A 57 -4.224 1.567 -0.730 1.00 33.31 C ATOM 801 SD MET A 57 -3.109 1.846 0.674 1.00 12.41 S ATOM 802 CE MET A 57 -2.450 3.499 0.311 1.00 12.22 C ATOM 0 H MET A 57 -8.443 2.100 -1.303 1.00 23.22 H new ATOM 0 HA MET A 57 -5.936 2.946 -2.531 1.00 31.51 H new ATOM 0 HB2 MET A 57 -5.353 3.316 -0.250 1.00 72.14 H new ATOM 0 HB3 MET A 57 -6.105 1.815 0.253 1.00 72.14 H new ATOM 0 HG2 MET A 57 -4.405 0.498 -0.842 1.00 33.31 H new ATOM 0 HG3 MET A 57 -3.743 1.906 -1.647 1.00 33.31 H new ATOM 0 HE1 MET A 57 -1.987 3.911 1.207 1.00 12.22 H new ATOM 0 HE2 MET A 57 -1.706 3.428 -0.482 1.00 12.22 H new ATOM 0 HE3 MET A 57 -3.262 4.152 -0.010 1.00 12.22 H new ATOM 810 N ASP A 58 -6.277 0.771 -3.671 1.00 21.33 N ATOM 811 CA ASP A 58 -6.452 -0.469 -4.416 1.00 61.24 C ATOM 812 C ASP A 58 -5.065 -0.881 -4.869 1.00 75.40 C ATOM 813 O ASP A 58 -4.471 -0.233 -5.736 1.00 52.23 O ATOM 814 CB ASP A 58 -7.448 -0.313 -5.581 1.00 53.20 C ATOM 815 CG ASP A 58 -8.905 -0.539 -5.165 1.00 15.31 C ATOM 816 OD1 ASP A 58 -9.334 -1.718 -5.090 1.00 4.32 O ATOM 817 OD2 ASP A 58 -9.670 0.440 -5.026 1.00 35.35 O ATOM 0 H ASP A 58 -5.802 1.497 -4.208 1.00 21.33 H new ATOM 0 HA ASP A 58 -6.896 -1.247 -3.795 1.00 61.24 H new ATOM 0 HB2 ASP A 58 -7.349 0.687 -6.004 1.00 53.20 H new ATOM 0 HB3 ASP A 58 -7.188 -1.020 -6.369 1.00 53.20 H new ATOM 821 N VAL A 59 -4.487 -1.881 -4.206 1.00 71.52 N ATOM 822 CA VAL A 59 -3.094 -2.243 -4.426 1.00 1.45 C ATOM 823 C VAL A 59 -3.115 -3.572 -5.189 1.00 42.43 C ATOM 824 O VAL A 59 -4.122 -4.293 -5.178 1.00 43.32 O ATOM 825 CB VAL A 59 -2.338 -2.396 -3.089 1.00 4.03 C ATOM 826 CG1 VAL A 59 -2.694 -1.329 -2.051 1.00 54.13 C ATOM 827 CG2 VAL A 59 -2.246 -3.794 -2.501 1.00 3.32 C ATOM 0 H VAL A 59 -4.966 -2.454 -3.511 1.00 71.52 H new ATOM 0 HA VAL A 59 -2.574 -1.467 -4.988 1.00 1.45 H new ATOM 0 HB VAL A 59 -1.311 -2.204 -3.398 1.00 4.03 H new ATOM 0 HG11 VAL A 59 -2.123 -1.503 -1.139 1.00 54.13 H new ATOM 0 HG12 VAL A 59 -2.454 -0.342 -2.447 1.00 54.13 H new ATOM 0 HG13 VAL A 59 -3.759 -1.381 -1.827 1.00 54.13 H new ATOM 0 HG21 VAL A 59 -1.690 -3.759 -1.564 1.00 3.32 H new ATOM 0 HG22 VAL A 59 -3.249 -4.177 -2.314 1.00 3.32 H new ATOM 0 HG23 VAL A 59 -1.732 -4.451 -3.203 1.00 3.32 H new ATOM 837 N THR A 60 -2.009 -3.918 -5.836 1.00 12.04 N ATOM 838 CA THR A 60 -1.899 -5.104 -6.668 1.00 63.33 C ATOM 839 C THR A 60 -0.397 -5.323 -6.832 1.00 61.53 C ATOM 840 O THR A 60 0.332 -4.466 -7.341 1.00 51.30 O ATOM 841 CB THR A 60 -2.724 -4.947 -7.979 1.00 32.21 C ATOM 842 OG1 THR A 60 -2.159 -5.619 -9.091 1.00 22.11 O ATOM 843 CG2 THR A 60 -3.030 -3.486 -8.336 1.00 51.11 C ATOM 0 H THR A 60 -1.149 -3.371 -5.795 1.00 12.04 H new ATOM 0 HA THR A 60 -2.338 -6.001 -6.231 1.00 63.33 H new ATOM 0 HB THR A 60 -3.671 -5.436 -7.751 1.00 32.21 H new ATOM 0 HG1 THR A 60 -2.726 -5.481 -9.879 1.00 22.11 H new ATOM 0 HG21 THR A 60 -3.607 -3.450 -9.260 1.00 51.11 H new ATOM 0 HG22 THR A 60 -3.605 -3.028 -7.531 1.00 51.11 H new ATOM 0 HG23 THR A 60 -2.096 -2.941 -8.471 1.00 51.11 H new ATOM 851 N GLY A 61 0.099 -6.428 -6.282 1.00 14.15 N ATOM 852 CA GLY A 61 1.516 -6.764 -6.325 1.00 40.22 C ATOM 853 C GLY A 61 1.733 -8.266 -6.430 1.00 31.44 C ATOM 854 O GLY A 61 0.789 -9.050 -6.518 1.00 31.55 O ATOM 0 H GLY A 61 -0.473 -7.116 -5.793 1.00 14.15 H new ATOM 0 HA2 GLY A 61 1.982 -6.268 -7.176 1.00 40.22 H new ATOM 0 HA3 GLY A 61 2.007 -6.387 -5.428 1.00 40.22 H new ATOM 858 N THR A 62 2.996 -8.683 -6.505 1.00 55.24 N ATOM 859 CA THR A 62 3.374 -10.085 -6.681 1.00 11.25 C ATOM 860 C THR A 62 4.677 -10.383 -5.927 1.00 15.41 C ATOM 861 O THR A 62 5.567 -9.523 -5.888 1.00 51.12 O ATOM 862 CB THR A 62 3.492 -10.398 -8.187 1.00 14.02 C ATOM 863 OG1 THR A 62 2.357 -9.877 -8.858 1.00 72.34 O ATOM 864 CG2 THR A 62 3.592 -11.878 -8.550 1.00 75.13 C ATOM 0 H THR A 62 3.794 -8.051 -6.445 1.00 55.24 H new ATOM 0 HA THR A 62 2.605 -10.733 -6.261 1.00 11.25 H new ATOM 0 HB THR A 62 4.431 -9.937 -8.494 1.00 14.02 H new ATOM 0 HG1 THR A 62 2.426 -10.071 -9.816 1.00 72.34 H new ATOM 0 HG21 THR A 62 3.671 -11.983 -9.632 1.00 75.13 H new ATOM 0 HG22 THR A 62 4.475 -12.309 -8.079 1.00 75.13 H new ATOM 0 HG23 THR A 62 2.702 -12.400 -8.199 1.00 75.13 H new ATOM 872 N THR A 63 4.769 -11.570 -5.328 1.00 53.44 N ATOM 873 CA THR A 63 5.882 -12.076 -4.537 1.00 52.52 C ATOM 874 C THR A 63 7.074 -12.439 -5.408 1.00 12.14 C ATOM 875 O THR A 63 7.009 -12.437 -6.643 1.00 34.13 O ATOM 876 CB THR A 63 5.436 -13.293 -3.707 1.00 21.11 C ATOM 877 OG1 THR A 63 5.209 -14.421 -4.524 1.00 15.12 O ATOM 878 CG2 THR A 63 4.171 -13.024 -2.916 1.00 71.01 C ATOM 0 H THR A 63 4.011 -12.250 -5.390 1.00 53.44 H new ATOM 0 HA THR A 63 6.197 -11.279 -3.863 1.00 52.52 H new ATOM 0 HB THR A 63 6.255 -13.489 -3.015 1.00 21.11 H new ATOM 0 HG1 THR A 63 5.245 -15.233 -3.977 1.00 15.12 H new ATOM 0 HG21 THR A 63 3.900 -13.914 -2.349 1.00 71.01 H new ATOM 0 HG22 THR A 63 4.340 -12.194 -2.230 1.00 71.01 H new ATOM 0 HG23 THR A 63 3.361 -12.770 -3.600 1.00 71.01 H new ATOM 886 N GLN A 64 8.163 -12.799 -4.730 1.00 51.41 N ATOM 887 CA GLN A 64 9.288 -13.489 -5.312 1.00 11.23 C ATOM 888 C GLN A 64 8.815 -14.760 -6.027 1.00 41.51 C ATOM 889 O GLN A 64 9.127 -14.936 -7.201 1.00 20.42 O ATOM 890 CB GLN A 64 10.319 -13.744 -4.206 1.00 34.04 C ATOM 891 CG GLN A 64 11.669 -14.258 -4.723 1.00 40.52 C ATOM 892 CD GLN A 64 12.796 -13.630 -3.913 1.00 73.23 C ATOM 893 OE1 GLN A 64 13.425 -12.662 -4.337 1.00 73.40 O ATOM 894 NE2 GLN A 64 12.986 -14.057 -2.684 1.00 21.42 N ATOM 0 H GLN A 64 8.279 -12.609 -3.735 1.00 51.41 H new ATOM 0 HA GLN A 64 9.773 -12.886 -6.080 1.00 11.23 H new ATOM 0 HB2 GLN A 64 10.481 -12.819 -3.653 1.00 34.04 H new ATOM 0 HB3 GLN A 64 9.911 -14.469 -3.502 1.00 34.04 H new ATOM 0 HG2 GLN A 64 11.711 -15.344 -4.643 1.00 40.52 H new ATOM 0 HG3 GLN A 64 11.784 -14.011 -5.778 1.00 40.52 H new ATOM 0 HE21 GLN A 64 12.462 -14.860 -2.336 1.00 21.42 H new ATOM 0 HE22 GLN A 64 13.657 -13.585 -2.078 1.00 21.42 H new ATOM 901 N SER A 65 7.992 -15.594 -5.380 1.00 14.32 N ATOM 902 CA SER A 65 7.480 -16.826 -5.978 1.00 71.12 C ATOM 903 C SER A 65 6.241 -16.570 -6.852 1.00 2.23 C ATOM 904 O SER A 65 5.355 -17.417 -6.929 1.00 71.21 O ATOM 905 CB SER A 65 7.249 -17.884 -4.888 1.00 1.52 C ATOM 906 OG SER A 65 8.506 -18.272 -4.344 1.00 21.21 O ATOM 0 H SER A 65 7.664 -15.431 -4.428 1.00 14.32 H new ATOM 0 HA SER A 65 8.231 -17.224 -6.660 1.00 71.12 H new ATOM 0 HB2 SER A 65 6.607 -17.482 -4.104 1.00 1.52 H new ATOM 0 HB3 SER A 65 6.737 -18.750 -5.307 1.00 1.52 H new ATOM 0 HG SER A 65 8.367 -18.946 -3.646 1.00 21.21 H new ATOM 911 N GLY A 66 6.172 -15.424 -7.535 1.00 32.35 N ATOM 912 CA GLY A 66 5.268 -15.236 -8.663 1.00 51.22 C ATOM 913 C GLY A 66 3.806 -15.263 -8.262 1.00 3.04 C ATOM 914 O GLY A 66 2.959 -15.637 -9.069 1.00 34.42 O ATOM 0 H GLY A 66 6.741 -14.605 -7.319 1.00 32.35 H new ATOM 0 HA2 GLY A 66 5.489 -14.283 -9.144 1.00 51.22 H new ATOM 0 HA3 GLY A 66 5.451 -16.016 -9.402 1.00 51.22 H new ATOM 918 N GLU A 67 3.514 -14.889 -7.024 1.00 34.14 N ATOM 919 CA GLU A 67 2.247 -15.117 -6.376 1.00 75.50 C ATOM 920 C GLU A 67 1.604 -13.755 -6.128 1.00 4.13 C ATOM 921 O GLU A 67 2.299 -12.831 -5.714 1.00 31.41 O ATOM 922 CB GLU A 67 2.561 -15.927 -5.108 1.00 3.35 C ATOM 923 CG GLU A 67 1.643 -17.125 -5.028 1.00 75.14 C ATOM 924 CD GLU A 67 0.215 -16.665 -4.720 1.00 14.04 C ATOM 925 OE1 GLU A 67 -0.462 -16.218 -5.671 1.00 53.30 O ATOM 926 OE2 GLU A 67 -0.187 -16.639 -3.530 1.00 62.44 O ATOM 0 H GLU A 67 4.183 -14.401 -6.429 1.00 34.14 H new ATOM 0 HA GLU A 67 1.526 -15.687 -6.962 1.00 75.50 H new ATOM 0 HB2 GLU A 67 3.601 -16.254 -5.122 1.00 3.35 H new ATOM 0 HB3 GLU A 67 2.435 -15.301 -4.225 1.00 3.35 H new ATOM 0 HG2 GLU A 67 1.663 -17.673 -5.970 1.00 75.14 H new ATOM 0 HG3 GLU A 67 1.990 -17.809 -4.253 1.00 75.14 H new ATOM 931 N LYS A 68 0.348 -13.552 -6.520 1.00 62.12 N ATOM 932 CA LYS A 68 -0.242 -12.238 -6.716 1.00 22.51 C ATOM 933 C LYS A 68 -1.267 -11.946 -5.633 1.00 15.42 C ATOM 934 O LYS A 68 -2.237 -12.690 -5.484 1.00 73.43 O ATOM 935 CB LYS A 68 -0.885 -12.202 -8.102 1.00 14.24 C ATOM 936 CG LYS A 68 -1.420 -10.803 -8.408 1.00 73.31 C ATOM 937 CD LYS A 68 -2.122 -10.776 -9.765 1.00 12.43 C ATOM 938 CE LYS A 68 -2.850 -9.456 -10.045 1.00 20.51 C ATOM 939 NZ LYS A 68 -1.948 -8.292 -10.183 1.00 63.10 N ATOM 0 H LYS A 68 -0.299 -14.317 -6.713 1.00 62.12 H new ATOM 0 HA LYS A 68 0.528 -11.469 -6.650 1.00 22.51 H new ATOM 0 HB2 LYS A 68 -0.153 -12.491 -8.856 1.00 14.24 H new ATOM 0 HB3 LYS A 68 -1.697 -12.927 -8.151 1.00 14.24 H new ATOM 0 HG2 LYS A 68 -2.116 -10.496 -7.627 1.00 73.31 H new ATOM 0 HG3 LYS A 68 -0.599 -10.086 -8.404 1.00 73.31 H new ATOM 0 HD2 LYS A 68 -1.387 -10.951 -10.550 1.00 12.43 H new ATOM 0 HD3 LYS A 68 -2.839 -11.595 -9.812 1.00 12.43 H new ATOM 0 HE2 LYS A 68 -3.434 -9.561 -10.959 1.00 20.51 H new ATOM 0 HE3 LYS A 68 -3.555 -9.263 -9.237 1.00 20.51 H new ATOM 0 HZ1 LYS A 68 -2.323 -7.495 -9.630 1.00 63.10 H new ATOM 0 HZ2 LYS A 68 -1.002 -8.543 -9.832 1.00 63.10 H new ATOM 0 HZ3 LYS A 68 -1.884 -8.019 -11.184 1.00 63.10 H new ATOM 949 N PHE A 69 -1.111 -10.792 -4.997 1.00 4.35 N ATOM 950 CA PHE A 69 -1.949 -10.301 -3.923 1.00 61.30 C ATOM 951 C PHE A 69 -2.616 -9.004 -4.351 1.00 12.05 C ATOM 952 O PHE A 69 -2.104 -8.284 -5.224 1.00 42.34 O ATOM 953 CB PHE A 69 -1.085 -10.081 -2.675 1.00 60.02 C ATOM 954 CG PHE A 69 0.153 -9.211 -2.863 1.00 72.22 C ATOM 955 CD1 PHE A 69 0.056 -7.811 -2.749 1.00 13.35 C ATOM 956 CD2 PHE A 69 1.405 -9.804 -3.125 1.00 2.55 C ATOM 957 CE1 PHE A 69 1.204 -7.008 -2.869 1.00 41.20 C ATOM 958 CE2 PHE A 69 2.557 -9.001 -3.220 1.00 42.21 C ATOM 959 CZ PHE A 69 2.458 -7.605 -3.085 1.00 75.01 C ATOM 0 H PHE A 69 -0.358 -10.145 -5.232 1.00 4.35 H new ATOM 0 HA PHE A 69 -2.727 -11.028 -3.691 1.00 61.30 H new ATOM 0 HB2 PHE A 69 -1.707 -9.630 -1.902 1.00 60.02 H new ATOM 0 HB3 PHE A 69 -0.767 -11.054 -2.301 1.00 60.02 H new ATOM 0 HD1 PHE A 69 -0.905 -7.352 -2.569 1.00 13.35 H new ATOM 0 HD2 PHE A 69 1.480 -10.874 -3.253 1.00 2.55 H new ATOM 0 HE1 PHE A 69 1.122 -5.934 -2.795 1.00 41.20 H new ATOM 0 HE2 PHE A 69 3.519 -9.458 -3.397 1.00 42.21 H new ATOM 0 HZ PHE A 69 3.345 -6.992 -3.147 1.00 75.01 H new ATOM 968 N THR A 70 -3.706 -8.662 -3.676 1.00 20.14 N ATOM 969 CA THR A 70 -4.359 -7.372 -3.787 1.00 12.05 C ATOM 970 C THR A 70 -4.761 -6.874 -2.402 1.00 14.13 C ATOM 971 O THR A 70 -4.661 -7.571 -1.395 1.00 62.42 O ATOM 972 CB THR A 70 -5.562 -7.437 -4.744 1.00 41.22 C ATOM 973 OG1 THR A 70 -6.472 -8.460 -4.415 1.00 14.44 O ATOM 974 CG2 THR A 70 -5.148 -7.661 -6.191 1.00 44.41 C ATOM 0 H THR A 70 -4.169 -9.292 -3.021 1.00 20.14 H new ATOM 0 HA THR A 70 -3.656 -6.657 -4.215 1.00 12.05 H new ATOM 0 HB THR A 70 -6.039 -6.463 -4.632 1.00 41.22 H new ATOM 0 HG1 THR A 70 -7.363 -8.226 -4.750 1.00 14.44 H new ATOM 0 HG21 THR A 70 -6.036 -7.699 -6.822 1.00 44.41 H new ATOM 0 HG22 THR A 70 -4.506 -6.843 -6.517 1.00 44.41 H new ATOM 0 HG23 THR A 70 -4.605 -8.603 -6.272 1.00 44.41 H new ATOM 982 N GLY A 71 -5.168 -5.610 -2.376 1.00 24.15 N ATOM 983 CA GLY A 71 -5.484 -4.848 -1.182 1.00 55.41 C ATOM 984 C GLY A 71 -6.535 -3.838 -1.580 1.00 72.50 C ATOM 985 O GLY A 71 -6.183 -2.771 -2.075 1.00 74.30 O ATOM 0 H GLY A 71 -5.291 -5.066 -3.230 1.00 24.15 H new ATOM 0 HA2 GLY A 71 -5.854 -5.501 -0.392 1.00 55.41 H new ATOM 0 HA3 GLY A 71 -4.596 -4.350 -0.794 1.00 55.41 H new ATOM 989 N HIS A 72 -7.798 -4.227 -1.472 1.00 43.21 N ATOM 990 CA HIS A 72 -8.964 -3.512 -1.957 1.00 34.42 C ATOM 991 C HIS A 72 -9.635 -2.737 -0.822 1.00 12.31 C ATOM 992 O HIS A 72 -10.469 -3.286 -0.099 1.00 32.13 O ATOM 993 CB HIS A 72 -9.920 -4.553 -2.547 1.00 75.11 C ATOM 994 CG HIS A 72 -9.390 -5.193 -3.794 1.00 43.42 C ATOM 995 ND1 HIS A 72 -9.215 -4.559 -5.000 1.00 2.32 N ATOM 996 CD2 HIS A 72 -9.025 -6.502 -3.940 1.00 54.41 C ATOM 997 CE1 HIS A 72 -8.802 -5.482 -5.878 1.00 4.31 C ATOM 998 NE2 HIS A 72 -8.690 -6.692 -5.289 1.00 51.22 N ATOM 0 H HIS A 72 -8.048 -5.104 -1.015 1.00 43.21 H new ATOM 0 HA HIS A 72 -8.679 -2.782 -2.715 1.00 34.42 H new ATOM 0 HB2 HIS A 72 -10.112 -5.325 -1.802 1.00 75.11 H new ATOM 0 HB3 HIS A 72 -10.876 -4.077 -2.767 1.00 75.11 H new ATOM 0 HD1 HIS A 72 -9.371 -3.569 -5.191 1.00 2.32 H new ATOM 0 HD2 HIS A 72 -8.999 -7.251 -3.162 1.00 54.41 H new ATOM 0 HE1 HIS A 72 -8.587 -5.285 -6.918 1.00 4.31 H new ATOM 1005 N PHE A 73 -9.355 -1.439 -0.693 1.00 23.54 N ATOM 1006 CA PHE A 73 -9.792 -0.636 0.447 1.00 24.25 C ATOM 1007 C PHE A 73 -10.449 0.655 0.028 1.00 75.31 C ATOM 1008 O PHE A 73 -10.072 1.269 -0.968 1.00 31.42 O ATOM 1009 CB PHE A 73 -8.569 -0.312 1.306 1.00 14.22 C ATOM 1010 CG PHE A 73 -7.754 -1.530 1.697 1.00 71.50 C ATOM 1011 CD1 PHE A 73 -8.268 -2.470 2.611 1.00 72.24 C ATOM 1012 CD2 PHE A 73 -6.499 -1.751 1.099 1.00 3.35 C ATOM 1013 CE1 PHE A 73 -7.499 -3.591 2.972 1.00 42.31 C ATOM 1014 CE2 PHE A 73 -5.745 -2.887 1.439 1.00 15.24 C ATOM 1015 CZ PHE A 73 -6.240 -3.797 2.385 1.00 11.23 C ATOM 0 H PHE A 73 -8.816 -0.914 -1.381 1.00 23.54 H new ATOM 0 HA PHE A 73 -10.532 -1.214 1.001 1.00 24.25 H new ATOM 0 HB2 PHE A 73 -7.929 0.382 0.762 1.00 14.22 H new ATOM 0 HB3 PHE A 73 -8.898 0.199 2.211 1.00 14.22 H new ATOM 0 HD1 PHE A 73 -9.252 -2.330 3.034 1.00 72.24 H new ATOM 0 HD2 PHE A 73 -6.115 -1.046 0.377 1.00 3.35 H new ATOM 0 HE1 PHE A 73 -7.877 -4.293 3.700 1.00 42.31 H new ATOM 0 HE2 PHE A 73 -4.786 -3.059 0.973 1.00 15.24 H new ATOM 0 HZ PHE A 73 -5.651 -4.659 2.663 1.00 11.23 H new ATOM 1024 N LYS A 74 -11.388 1.096 0.864 1.00 43.32 N ATOM 1025 CA LYS A 74 -12.294 2.214 0.633 1.00 1.45 C ATOM 1026 C LYS A 74 -12.715 2.918 1.935 1.00 60.43 C ATOM 1027 O LYS A 74 -13.549 3.825 1.947 1.00 14.42 O ATOM 1028 CB LYS A 74 -13.490 1.650 -0.147 1.00 3.11 C ATOM 1029 CG LYS A 74 -13.314 1.923 -1.652 1.00 40.41 C ATOM 1030 CD LYS A 74 -14.591 1.849 -2.488 1.00 44.24 C ATOM 1031 CE LYS A 74 -15.597 2.924 -2.073 1.00 41.14 C ATOM 1032 NZ LYS A 74 -16.740 3.014 -2.999 1.00 11.04 N ATOM 0 H LYS A 74 -11.543 0.656 1.771 1.00 43.32 H new ATOM 0 HA LYS A 74 -11.796 2.996 0.060 1.00 1.45 H new ATOM 0 HB2 LYS A 74 -13.576 0.578 0.029 1.00 3.11 H new ATOM 0 HB3 LYS A 74 -14.414 2.106 0.208 1.00 3.11 H new ATOM 0 HG2 LYS A 74 -12.877 2.914 -1.775 1.00 40.41 H new ATOM 0 HG3 LYS A 74 -12.597 1.206 -2.052 1.00 40.41 H new ATOM 0 HD2 LYS A 74 -14.344 1.969 -3.543 1.00 44.24 H new ATOM 0 HD3 LYS A 74 -15.043 0.864 -2.376 1.00 44.24 H new ATOM 0 HE2 LYS A 74 -15.963 2.707 -1.069 1.00 41.14 H new ATOM 0 HE3 LYS A 74 -15.094 3.890 -2.027 1.00 41.14 H new ATOM 0 HZ1 LYS A 74 -17.392 3.756 -2.674 1.00 11.04 H new ATOM 0 HZ2 LYS A 74 -16.397 3.248 -3.952 1.00 11.04 H new ATOM 0 HZ3 LYS A 74 -17.239 2.102 -3.025 1.00 11.04 H new ATOM 1042 N GLY A 75 -12.105 2.522 3.042 1.00 1.21 N ATOM 1043 CA GLY A 75 -12.433 2.895 4.409 1.00 32.51 C ATOM 1044 C GLY A 75 -11.266 3.600 5.079 1.00 15.11 C ATOM 1045 O GLY A 75 -11.069 3.450 6.288 1.00 42.50 O ATOM 0 H GLY A 75 -11.309 1.885 3.005 1.00 1.21 H new ATOM 0 HA2 GLY A 75 -13.306 3.548 4.412 1.00 32.51 H new ATOM 0 HA3 GLY A 75 -12.699 2.004 4.978 1.00 32.51 H new ATOM 1049 N LEU A 76 -10.450 4.309 4.292 1.00 35.25 N ATOM 1050 CA LEU A 76 -9.344 5.080 4.833 1.00 32.43 C ATOM 1051 C LEU A 76 -9.863 6.443 5.272 1.00 3.45 C ATOM 1052 O LEU A 76 -10.898 6.904 4.791 1.00 20.25 O ATOM 1053 CB LEU A 76 -8.219 5.270 3.813 1.00 14.42 C ATOM 1054 CG LEU A 76 -7.700 4.009 3.112 1.00 32.31 C ATOM 1055 CD1 LEU A 76 -6.632 4.450 2.117 1.00 23.02 C ATOM 1056 CD2 LEU A 76 -7.120 2.982 4.082 1.00 40.10 C ATOM 0 H LEU A 76 -10.541 4.360 3.277 1.00 35.25 H new ATOM 0 HA LEU A 76 -8.931 4.530 5.678 1.00 32.43 H new ATOM 0 HB2 LEU A 76 -8.568 5.964 3.048 1.00 14.42 H new ATOM 0 HB3 LEU A 76 -7.380 5.747 4.318 1.00 14.42 H new ATOM 0 HG LEU A 76 -8.535 3.514 2.617 1.00 32.31 H new ATOM 0 HD11 LEU A 76 -6.237 3.577 1.597 1.00 23.02 H new ATOM 0 HD12 LEU A 76 -7.071 5.137 1.393 1.00 23.02 H new ATOM 0 HD13 LEU A 76 -5.824 4.951 2.649 1.00 23.02 H new ATOM 0 HD21 LEU A 76 -6.770 2.113 3.525 1.00 40.10 H new ATOM 0 HD22 LEU A 76 -6.285 3.425 4.625 1.00 40.10 H new ATOM 0 HD23 LEU A 76 -7.890 2.674 4.789 1.00 40.10 H new ATOM 1067 N VAL A 77 -9.097 7.105 6.132 1.00 63.32 N ATOM 1068 CA VAL A 77 -9.306 8.465 6.616 1.00 52.31 C ATOM 1069 C VAL A 77 -7.924 9.063 6.929 1.00 1.21 C ATOM 1070 O VAL A 77 -6.904 8.377 6.771 1.00 2.45 O ATOM 1071 CB VAL A 77 -10.244 8.467 7.851 1.00 43.52 C ATOM 1072 CG1 VAL A 77 -11.693 8.146 7.477 1.00 34.01 C ATOM 1073 CG2 VAL A 77 -9.798 7.487 8.949 1.00 20.32 C ATOM 0 H VAL A 77 -8.262 6.680 6.535 1.00 63.32 H new ATOM 0 HA VAL A 77 -9.800 9.078 5.861 1.00 52.31 H new ATOM 0 HB VAL A 77 -10.182 9.483 8.242 1.00 43.52 H new ATOM 0 HG11 VAL A 77 -12.312 8.159 8.374 1.00 34.01 H new ATOM 0 HG12 VAL A 77 -12.060 8.892 6.772 1.00 34.01 H new ATOM 0 HG13 VAL A 77 -11.740 7.158 7.018 1.00 34.01 H new ATOM 0 HG21 VAL A 77 -10.495 7.536 9.785 1.00 20.32 H new ATOM 0 HG22 VAL A 77 -9.783 6.474 8.548 1.00 20.32 H new ATOM 0 HG23 VAL A 77 -8.799 7.756 9.293 1.00 20.32 H new ATOM 1083 N GLY A 78 -7.865 10.314 7.391 1.00 32.11 N ATOM 1084 CA GLY A 78 -6.639 10.907 7.905 1.00 24.41 C ATOM 1085 C GLY A 78 -5.710 11.394 6.797 1.00 55.24 C ATOM 1086 O GLY A 78 -6.031 11.295 5.609 1.00 64.31 O ATOM 0 H GLY A 78 -8.669 10.941 7.417 1.00 32.11 H new ATOM 0 HA2 GLY A 78 -6.891 11.744 8.556 1.00 24.41 H new ATOM 0 HA3 GLY A 78 -6.114 10.173 8.517 1.00 24.41 H new ATOM 1090 N LYS A 79 -4.570 11.981 7.176 1.00 13.44 N ATOM 1091 CA LYS A 79 -3.651 12.670 6.263 1.00 34.44 C ATOM 1092 C LYS A 79 -2.358 11.862 6.074 1.00 64.14 C ATOM 1093 O LYS A 79 -1.257 12.417 5.991 1.00 2.35 O ATOM 1094 CB LYS A 79 -3.416 14.103 6.778 1.00 15.45 C ATOM 1095 CG LYS A 79 -2.975 15.031 5.634 1.00 60.33 C ATOM 1096 CD LYS A 79 -2.249 16.299 6.116 1.00 22.42 C ATOM 1097 CE LYS A 79 -0.977 16.440 5.273 1.00 24.22 C ATOM 1098 NZ LYS A 79 -0.148 17.600 5.637 1.00 21.03 N ATOM 0 H LYS A 79 -4.254 11.991 8.146 1.00 13.44 H new ATOM 0 HA LYS A 79 -4.090 12.748 5.268 1.00 34.44 H new ATOM 0 HB2 LYS A 79 -4.331 14.486 7.230 1.00 15.45 H new ATOM 0 HB3 LYS A 79 -2.655 14.093 7.558 1.00 15.45 H new ATOM 0 HG2 LYS A 79 -2.318 14.479 4.962 1.00 60.33 H new ATOM 0 HG3 LYS A 79 -3.851 15.322 5.055 1.00 60.33 H new ATOM 0 HD2 LYS A 79 -2.887 17.175 6.000 1.00 22.42 H new ATOM 0 HD3 LYS A 79 -2.002 16.222 7.175 1.00 22.42 H new ATOM 0 HE2 LYS A 79 -0.381 15.533 5.377 1.00 24.22 H new ATOM 0 HE3 LYS A 79 -1.256 16.520 4.222 1.00 24.22 H new ATOM 0 HZ1 LYS A 79 0.693 17.631 5.026 1.00 21.03 H new ATOM 0 HZ2 LYS A 79 -0.699 18.473 5.512 1.00 21.03 H new ATOM 0 HZ3 LYS A 79 0.148 17.517 6.630 1.00 21.03 H new ATOM 1108 N ASP A 80 -2.463 10.540 6.084 1.00 43.41 N ATOM 1109 CA ASP A 80 -1.390 9.571 5.871 1.00 12.51 C ATOM 1110 C ASP A 80 -2.053 8.223 5.641 1.00 13.23 C ATOM 1111 O ASP A 80 -3.200 8.014 6.059 1.00 31.04 O ATOM 1112 CB ASP A 80 -0.443 9.443 7.081 1.00 75.23 C ATOM 1113 CG ASP A 80 -1.175 9.180 8.402 1.00 0.23 C ATOM 1114 OD1 ASP A 80 -1.559 10.183 9.058 1.00 20.22 O ATOM 1115 OD2 ASP A 80 -1.367 7.999 8.773 1.00 55.30 O ATOM 0 H ASP A 80 -3.359 10.083 6.252 1.00 43.41 H new ATOM 0 HA ASP A 80 -0.787 9.904 5.026 1.00 12.51 H new ATOM 0 HB2 ASP A 80 0.262 8.632 6.897 1.00 75.23 H new ATOM 0 HB3 ASP A 80 0.141 10.358 7.174 1.00 75.23 H new ATOM 1119 N THR A 81 -1.329 7.294 5.026 1.00 42.40 N ATOM 1120 CA THR A 81 -1.774 5.922 4.882 1.00 22.21 C ATOM 1121 C THR A 81 -0.555 4.999 4.963 1.00 32.21 C ATOM 1122 O THR A 81 0.499 5.296 4.398 1.00 75.44 O ATOM 1123 CB THR A 81 -2.518 5.755 3.545 1.00 44.31 C ATOM 1124 OG1 THR A 81 -3.307 6.879 3.166 1.00 64.23 O ATOM 1125 CG2 THR A 81 -3.425 4.531 3.604 1.00 1.42 C ATOM 0 H THR A 81 -0.414 7.477 4.614 1.00 42.40 H new ATOM 0 HA THR A 81 -2.466 5.659 5.682 1.00 22.21 H new ATOM 0 HB THR A 81 -1.737 5.644 2.793 1.00 44.31 H new ATOM 0 HG1 THR A 81 -3.745 6.697 2.309 1.00 64.23 H new ATOM 0 HG21 THR A 81 -3.948 4.420 2.654 1.00 1.42 H new ATOM 0 HG22 THR A 81 -2.824 3.642 3.794 1.00 1.42 H new ATOM 0 HG23 THR A 81 -4.152 4.655 4.406 1.00 1.42 H new ATOM 1133 N ARG A 82 -0.693 3.856 5.630 1.00 20.05 N ATOM 1134 CA ARG A 82 0.287 2.770 5.633 1.00 75.41 C ATOM 1135 C ARG A 82 -0.332 1.539 4.994 1.00 21.02 C ATOM 1136 O ARG A 82 -1.500 1.572 4.617 1.00 32.25 O ATOM 1137 CB ARG A 82 0.737 2.492 7.074 1.00 3.44 C ATOM 1138 CG ARG A 82 1.616 3.609 7.650 1.00 75.04 C ATOM 1139 CD ARG A 82 2.022 3.256 9.078 1.00 34.04 C ATOM 1140 NE ARG A 82 0.935 3.504 10.040 1.00 61.10 N ATOM 1141 CZ ARG A 82 0.780 2.877 11.207 1.00 20.14 C ATOM 1142 NH1 ARG A 82 1.706 2.026 11.626 1.00 21.43 N ATOM 1143 NH2 ARG A 82 -0.304 3.075 11.945 1.00 72.41 N ATOM 0 H ARG A 82 -1.514 3.653 6.201 1.00 20.05 H new ATOM 0 HA ARG A 82 1.167 3.050 5.054 1.00 75.41 H new ATOM 0 HB2 ARG A 82 -0.142 2.366 7.706 1.00 3.44 H new ATOM 0 HB3 ARG A 82 1.288 1.552 7.102 1.00 3.44 H new ATOM 0 HG2 ARG A 82 2.503 3.743 7.031 1.00 75.04 H new ATOM 0 HG3 ARG A 82 1.074 4.555 7.638 1.00 75.04 H new ATOM 0 HD2 ARG A 82 2.313 2.206 9.123 1.00 34.04 H new ATOM 0 HD3 ARG A 82 2.897 3.842 9.361 1.00 34.04 H new ATOM 0 HE ARG A 82 0.244 4.213 9.794 1.00 61.10 H new ATOM 0 HH11 ARG A 82 2.534 1.852 11.056 1.00 21.43 H new ATOM 0 HH12 ARG A 82 1.590 1.545 12.518 1.00 21.43 H new ATOM 0 HH21 ARG A 82 -1.031 3.713 11.622 1.00 72.41 H new ATOM 0 HH22 ARG A 82 -0.410 2.589 12.836 1.00 72.41 H new ATOM 1154 N VAL A 83 0.443 0.465 4.875 1.00 64.34 N ATOM 1155 CA VAL A 83 0.014 -0.827 4.364 1.00 31.42 C ATOM 1156 C VAL A 83 0.803 -1.883 5.126 1.00 44.33 C ATOM 1157 O VAL A 83 2.035 -1.844 5.102 1.00 23.23 O ATOM 1158 CB VAL A 83 0.308 -0.927 2.857 1.00 55.43 C ATOM 1159 CG1 VAL A 83 -0.207 -2.259 2.297 1.00 2.44 C ATOM 1160 CG2 VAL A 83 -0.298 0.231 2.053 1.00 64.23 C ATOM 0 H VAL A 83 1.427 0.475 5.144 1.00 64.34 H new ATOM 0 HA VAL A 83 -1.059 -0.966 4.500 1.00 31.42 H new ATOM 0 HB VAL A 83 1.391 -0.870 2.751 1.00 55.43 H new ATOM 0 HG11 VAL A 83 0.009 -2.313 1.230 1.00 2.44 H new ATOM 0 HG12 VAL A 83 0.287 -3.084 2.810 1.00 2.44 H new ATOM 0 HG13 VAL A 83 -1.284 -2.327 2.453 1.00 2.44 H new ATOM 0 HG21 VAL A 83 -0.057 0.106 0.997 1.00 64.23 H new ATOM 0 HG22 VAL A 83 -1.381 0.235 2.180 1.00 64.23 H new ATOM 0 HG23 VAL A 83 0.113 1.176 2.409 1.00 64.23 H new ATOM 1170 N PHE A 84 0.120 -2.815 5.788 1.00 1.42 N ATOM 1171 CA PHE A 84 0.758 -3.987 6.381 1.00 3.33 C ATOM 1172 C PHE A 84 0.505 -5.140 5.419 1.00 40.32 C ATOM 1173 O PHE A 84 -0.573 -5.726 5.428 1.00 35.05 O ATOM 1174 CB PHE A 84 0.208 -4.266 7.793 1.00 0.33 C ATOM 1175 CG PHE A 84 0.441 -3.204 8.858 1.00 71.20 C ATOM 1176 CD1 PHE A 84 1.373 -2.164 8.682 1.00 3.25 C ATOM 1177 CD2 PHE A 84 -0.282 -3.277 10.061 1.00 71.30 C ATOM 1178 CE1 PHE A 84 1.535 -1.171 9.665 1.00 55.13 C ATOM 1179 CE2 PHE A 84 -0.070 -2.331 11.076 1.00 63.04 C ATOM 1180 CZ PHE A 84 0.830 -1.273 10.876 1.00 0.53 C ATOM 0 H PHE A 84 -0.890 -2.778 5.928 1.00 1.42 H new ATOM 0 HA PHE A 84 1.829 -3.836 6.516 1.00 3.33 H new ATOM 0 HB2 PHE A 84 -0.866 -4.429 7.710 1.00 0.33 H new ATOM 0 HB3 PHE A 84 0.646 -5.199 8.147 1.00 0.33 H new ATOM 0 HD1 PHE A 84 1.970 -2.128 7.783 1.00 3.25 H new ATOM 0 HD2 PHE A 84 -1.005 -4.066 10.205 1.00 71.30 H new ATOM 0 HE1 PHE A 84 2.197 -0.336 9.490 1.00 55.13 H new ATOM 0 HE2 PHE A 84 -0.601 -2.417 12.013 1.00 63.04 H new ATOM 0 HZ PHE A 84 0.981 -0.538 11.652 1.00 0.53 H new ATOM 1189 N ILE A 85 1.455 -5.427 4.533 1.00 40.53 N ATOM 1190 CA ILE A 85 1.393 -6.648 3.733 1.00 11.41 C ATOM 1191 C ILE A 85 1.731 -7.759 4.723 1.00 4.24 C ATOM 1192 O ILE A 85 2.800 -7.692 5.331 1.00 24.22 O ATOM 1193 CB ILE A 85 2.380 -6.611 2.543 1.00 71.21 C ATOM 1194 CG1 ILE A 85 2.220 -5.321 1.711 1.00 32.41 C ATOM 1195 CG2 ILE A 85 2.168 -7.833 1.630 1.00 24.25 C ATOM 1196 CD1 ILE A 85 3.212 -5.210 0.546 1.00 63.24 C ATOM 0 H ILE A 85 2.268 -4.839 4.352 1.00 40.53 H new ATOM 0 HA ILE A 85 0.416 -6.790 3.271 1.00 11.41 H new ATOM 0 HB ILE A 85 3.388 -6.632 2.958 1.00 71.21 H new ATOM 0 HG12 ILE A 85 1.205 -5.277 1.317 1.00 32.41 H new ATOM 0 HG13 ILE A 85 2.345 -4.459 2.366 1.00 32.41 H new ATOM 0 HG21 ILE A 85 2.870 -7.791 0.798 1.00 24.25 H new ATOM 0 HG22 ILE A 85 2.335 -8.747 2.200 1.00 24.25 H new ATOM 0 HG23 ILE A 85 1.148 -7.827 1.245 1.00 24.25 H new ATOM 0 HD11 ILE A 85 3.038 -4.278 0.008 1.00 63.24 H new ATOM 0 HD12 ILE A 85 4.231 -5.221 0.933 1.00 63.24 H new ATOM 0 HD13 ILE A 85 3.072 -6.052 -0.132 1.00 63.24 H new ATOM 1207 N GLU A 86 0.830 -8.720 4.909 1.00 24.24 N ATOM 1208 CA GLU A 86 0.990 -9.870 5.797 1.00 21.21 C ATOM 1209 C GLU A 86 0.459 -11.108 5.052 1.00 52.32 C ATOM 1210 O GLU A 86 0.218 -11.052 3.845 1.00 71.22 O ATOM 1211 CB GLU A 86 0.302 -9.613 7.168 1.00 63.12 C ATOM 1212 CG GLU A 86 0.849 -8.374 7.908 1.00 22.24 C ATOM 1213 CD GLU A 86 0.785 -8.464 9.439 1.00 20.03 C ATOM 1214 OE1 GLU A 86 1.651 -9.142 10.037 1.00 64.11 O ATOM 1215 OE2 GLU A 86 -0.080 -7.799 10.067 1.00 52.31 O ATOM 0 H GLU A 86 -0.068 -8.720 4.426 1.00 24.24 H new ATOM 0 HA GLU A 86 2.038 -10.043 6.042 1.00 21.21 H new ATOM 0 HB2 GLU A 86 -0.769 -9.489 7.010 1.00 63.12 H new ATOM 0 HB3 GLU A 86 0.431 -10.491 7.801 1.00 63.12 H new ATOM 0 HG2 GLU A 86 1.885 -8.217 7.609 1.00 22.24 H new ATOM 0 HG3 GLU A 86 0.288 -7.497 7.585 1.00 22.24 H new ATOM 1220 N LEU A 87 0.338 -12.246 5.737 1.00 53.14 N ATOM 1221 CA LEU A 87 -0.201 -13.485 5.171 1.00 20.14 C ATOM 1222 C LEU A 87 -1.399 -13.910 6.007 1.00 14.35 C ATOM 1223 O LEU A 87 -1.409 -13.654 7.215 1.00 42.33 O ATOM 1224 CB LEU A 87 0.832 -14.625 5.199 1.00 41.43 C ATOM 1225 CG LEU A 87 2.255 -14.283 4.732 1.00 64.24 C ATOM 1226 CD1 LEU A 87 3.172 -15.481 4.973 1.00 33.43 C ATOM 1227 CD2 LEU A 87 2.304 -13.932 3.247 1.00 75.22 C ATOM 0 H LEU A 87 0.615 -12.335 6.715 1.00 53.14 H new ATOM 0 HA LEU A 87 -0.475 -13.295 4.133 1.00 20.14 H new ATOM 0 HB2 LEU A 87 0.891 -15.004 6.219 1.00 41.43 H new ATOM 0 HB3 LEU A 87 0.457 -15.438 4.578 1.00 41.43 H new ATOM 0 HG LEU A 87 2.584 -13.415 5.303 1.00 64.24 H new ATOM 0 HD11 LEU A 87 4.182 -15.239 4.642 1.00 33.43 H new ATOM 0 HD12 LEU A 87 3.186 -15.720 6.036 1.00 33.43 H new ATOM 0 HD13 LEU A 87 2.803 -16.340 4.413 1.00 33.43 H new ATOM 0 HD21 LEU A 87 3.330 -13.697 2.962 1.00 75.22 H new ATOM 0 HD22 LEU A 87 1.950 -14.780 2.661 1.00 75.22 H new ATOM 0 HD23 LEU A 87 1.668 -13.068 3.056 1.00 75.22 H new ATOM 1238 N ASP A 88 -2.355 -14.629 5.423 1.00 14.35 N ATOM 1239 CA ASP A 88 -3.448 -15.266 6.154 1.00 20.35 C ATOM 1240 C ASP A 88 -3.951 -16.481 5.363 1.00 72.43 C ATOM 1241 O ASP A 88 -3.347 -16.860 4.360 1.00 75.22 O ATOM 1242 CB ASP A 88 -4.571 -14.251 6.466 1.00 41.22 C ATOM 1243 CG ASP A 88 -5.593 -14.791 7.471 1.00 42.21 C ATOM 1244 OD1 ASP A 88 -5.272 -15.712 8.257 1.00 2.42 O ATOM 1245 OD2 ASP A 88 -6.761 -14.356 7.473 1.00 20.41 O ATOM 0 H ASP A 88 -2.393 -14.788 4.416 1.00 14.35 H new ATOM 0 HA ASP A 88 -3.085 -15.622 7.118 1.00 20.35 H new ATOM 0 HB2 ASP A 88 -4.129 -13.336 6.860 1.00 41.22 H new ATOM 0 HB3 ASP A 88 -5.083 -13.985 5.541 1.00 41.22 H new ATOM 1249 N GLU A 89 -5.039 -17.105 5.818 1.00 73.21 N ATOM 1250 CA GLU A 89 -5.789 -18.210 5.242 1.00 60.43 C ATOM 1251 C GLU A 89 -4.967 -19.497 5.247 1.00 23.15 C ATOM 1252 O GLU A 89 -5.277 -20.426 5.998 1.00 52.44 O ATOM 1253 CB GLU A 89 -6.394 -17.850 3.872 1.00 44.23 C ATOM 1254 CG GLU A 89 -7.275 -16.586 3.943 1.00 60.33 C ATOM 1255 CD GLU A 89 -8.170 -16.398 2.716 1.00 55.53 C ATOM 1256 OE1 GLU A 89 -8.662 -17.399 2.147 1.00 71.21 O ATOM 1257 OE2 GLU A 89 -8.471 -15.250 2.323 1.00 23.32 O ATOM 0 H GLU A 89 -5.459 -16.810 6.700 1.00 73.21 H new ATOM 0 HA GLU A 89 -6.650 -18.406 5.881 1.00 60.43 H new ATOM 0 HB2 GLU A 89 -5.591 -17.692 3.152 1.00 44.23 H new ATOM 0 HB3 GLU A 89 -6.990 -18.687 3.508 1.00 44.23 H new ATOM 0 HG2 GLU A 89 -7.900 -16.638 4.835 1.00 60.33 H new ATOM 0 HG3 GLU A 89 -6.634 -15.711 4.053 1.00 60.33 H new ATOM 1262 N ASN A 90 -3.907 -19.558 4.448 1.00 2.42 N ATOM 1263 CA ASN A 90 -3.055 -20.728 4.290 1.00 43.51 C ATOM 1264 C ASN A 90 -1.584 -20.310 4.218 1.00 53.13 C ATOM 1265 O ASN A 90 -0.783 -21.030 3.620 1.00 75.03 O ATOM 1266 CB ASN A 90 -3.472 -21.542 3.052 1.00 52.41 C ATOM 1267 CG ASN A 90 -4.970 -21.795 2.965 1.00 15.22 C ATOM 1268 OD1 ASN A 90 -5.525 -22.594 3.721 1.00 35.32 O ATOM 1269 ND2 ASN A 90 -5.668 -21.087 2.097 1.00 11.32 N ATOM 0 H ASN A 90 -3.609 -18.769 3.875 1.00 2.42 H new ATOM 0 HA ASN A 90 -3.178 -21.371 5.162 1.00 43.51 H new ATOM 0 HB2 ASN A 90 -3.148 -21.014 2.155 1.00 52.41 H new ATOM 0 HB3 ASN A 90 -2.951 -22.499 3.064 1.00 52.41 H new ATOM 0 HD21 ASN A 90 -6.681 -21.198 2.046 1.00 11.32 H new ATOM 0 HD22 ASN A 90 -5.195 -20.429 1.477 1.00 11.32 H new ATOM 1275 N ALA A 91 -1.214 -19.169 4.816 1.00 54.21 N ATOM 1276 CA ALA A 91 0.017 -18.417 4.557 1.00 4.53 C ATOM 1277 C ALA A 91 0.027 -17.855 3.126 1.00 31.43 C ATOM 1278 O ALA A 91 1.089 -17.657 2.533 1.00 53.44 O ATOM 1279 CB ALA A 91 1.278 -19.226 4.918 1.00 71.42 C ATOM 0 H ALA A 91 -1.795 -18.726 5.528 1.00 54.21 H new ATOM 0 HA ALA A 91 0.036 -17.555 5.223 1.00 4.53 H new ATOM 0 HB1 ALA A 91 2.166 -18.629 4.709 1.00 71.42 H new ATOM 0 HB2 ALA A 91 1.254 -19.483 5.977 1.00 71.42 H new ATOM 0 HB3 ALA A 91 1.307 -20.139 4.323 1.00 71.42 H new ATOM 1285 N ASP A 92 -1.164 -17.607 2.584 1.00 12.44 N ATOM 1286 CA ASP A 92 -1.381 -16.987 1.286 1.00 4.54 C ATOM 1287 C ASP A 92 -1.296 -15.483 1.492 1.00 71.41 C ATOM 1288 O ASP A 92 -1.678 -14.981 2.554 1.00 15.34 O ATOM 1289 CB ASP A 92 -2.780 -17.308 0.753 1.00 31.33 C ATOM 1290 CG ASP A 92 -3.035 -18.783 0.464 1.00 44.43 C ATOM 1291 OD1 ASP A 92 -2.124 -19.501 -0.010 1.00 55.23 O ATOM 1292 OD2 ASP A 92 -4.188 -19.222 0.656 1.00 61.41 O ATOM 0 H ASP A 92 -2.036 -17.843 3.058 1.00 12.44 H new ATOM 0 HA ASP A 92 -0.641 -17.356 0.576 1.00 4.54 H new ATOM 0 HB2 ASP A 92 -3.517 -16.962 1.478 1.00 31.33 H new ATOM 0 HB3 ASP A 92 -2.943 -16.740 -0.163 1.00 31.33 H new ATOM 1296 N VAL A 93 -0.842 -14.743 0.486 1.00 11.55 N ATOM 1297 CA VAL A 93 -0.537 -13.334 0.666 1.00 72.30 C ATOM 1298 C VAL A 93 -1.806 -12.501 0.633 1.00 54.42 C ATOM 1299 O VAL A 93 -2.475 -12.398 -0.400 1.00 71.11 O ATOM 1300 CB VAL A 93 0.459 -12.839 -0.381 1.00 34.23 C ATOM 1301 CG1 VAL A 93 0.992 -11.460 0.031 1.00 35.34 C ATOM 1302 CG2 VAL A 93 1.591 -13.843 -0.578 1.00 64.43 C ATOM 0 H VAL A 93 -0.679 -15.096 -0.457 1.00 11.55 H new ATOM 0 HA VAL A 93 -0.073 -13.219 1.646 1.00 72.30 H new ATOM 0 HB VAL A 93 -0.049 -12.742 -1.340 1.00 34.23 H new ATOM 0 HG11 VAL A 93 1.703 -11.107 -0.716 1.00 35.34 H new ATOM 0 HG12 VAL A 93 0.163 -10.756 0.104 1.00 35.34 H new ATOM 0 HG13 VAL A 93 1.490 -11.536 0.998 1.00 35.34 H new ATOM 0 HG21 VAL A 93 2.286 -13.466 -1.329 1.00 64.43 H new ATOM 0 HG22 VAL A 93 2.118 -13.986 0.365 1.00 64.43 H new ATOM 0 HG23 VAL A 93 1.179 -14.795 -0.911 1.00 64.43 H new ATOM 1312 N GLN A 94 -2.106 -11.868 1.761 1.00 75.14 N ATOM 1313 CA GLN A 94 -3.160 -10.877 1.843 1.00 11.24 C ATOM 1314 C GLN A 94 -2.515 -9.492 1.943 1.00 60.10 C ATOM 1315 O GLN A 94 -1.301 -9.328 1.794 1.00 42.10 O ATOM 1316 CB GLN A 94 -4.121 -11.226 2.994 1.00 32.31 C ATOM 1317 CG GLN A 94 -4.638 -12.680 2.995 1.00 33.41 C ATOM 1318 CD GLN A 94 -4.980 -13.245 1.613 1.00 71.00 C ATOM 1319 OE1 GLN A 94 -5.795 -12.695 0.879 1.00 72.14 O ATOM 1320 NE2 GLN A 94 -4.350 -14.337 1.213 1.00 44.10 N ATOM 0 H GLN A 94 -1.621 -12.031 2.644 1.00 75.14 H new ATOM 0 HA GLN A 94 -3.781 -10.870 0.947 1.00 11.24 H new ATOM 0 HB2 GLN A 94 -3.614 -11.036 3.940 1.00 32.31 H new ATOM 0 HB3 GLN A 94 -4.977 -10.552 2.950 1.00 32.31 H new ATOM 0 HG2 GLN A 94 -3.884 -13.318 3.455 1.00 33.41 H new ATOM 0 HG3 GLN A 94 -5.527 -12.733 3.623 1.00 33.41 H new ATOM 0 HE21 GLN A 94 -3.674 -14.790 1.828 1.00 44.10 H new ATOM 0 HE22 GLN A 94 -4.541 -14.726 0.290 1.00 44.10 H new ATOM 1327 N VAL A 95 -3.339 -8.469 2.135 1.00 64.04 N ATOM 1328 CA VAL A 95 -2.876 -7.139 2.482 1.00 44.54 C ATOM 1329 C VAL A 95 -3.801 -6.643 3.583 1.00 13.55 C ATOM 1330 O VAL A 95 -5.020 -6.833 3.523 1.00 4.33 O ATOM 1331 CB VAL A 95 -2.852 -6.219 1.242 1.00 71.11 C ATOM 1332 CG1 VAL A 95 -2.351 -4.813 1.609 1.00 41.14 C ATOM 1333 CG2 VAL A 95 -1.937 -6.741 0.121 1.00 64.34 C ATOM 0 H VAL A 95 -4.353 -8.544 2.053 1.00 64.04 H new ATOM 0 HA VAL A 95 -1.847 -7.144 2.841 1.00 44.54 H new ATOM 0 HB VAL A 95 -3.882 -6.196 0.886 1.00 71.11 H new ATOM 0 HG11 VAL A 95 -2.344 -4.185 0.718 1.00 41.14 H new ATOM 0 HG12 VAL A 95 -3.012 -4.375 2.356 1.00 41.14 H new ATOM 0 HG13 VAL A 95 -1.341 -4.881 2.013 1.00 41.14 H new ATOM 0 HG21 VAL A 95 -1.964 -6.050 -0.722 1.00 64.34 H new ATOM 0 HG22 VAL A 95 -0.915 -6.821 0.493 1.00 64.34 H new ATOM 0 HG23 VAL A 95 -2.283 -7.723 -0.203 1.00 64.34 H new ATOM 1343 N PHE A 96 -3.226 -5.946 4.559 1.00 64.41 N ATOM 1344 CA PHE A 96 -3.900 -5.399 5.714 1.00 20.41 C ATOM 1345 C PHE A 96 -3.517 -3.927 5.887 1.00 63.02 C ATOM 1346 O PHE A 96 -2.636 -3.396 5.197 1.00 43.52 O ATOM 1347 CB PHE A 96 -3.518 -6.246 6.939 1.00 71.12 C ATOM 1348 CG PHE A 96 -4.441 -6.000 8.109 1.00 64.21 C ATOM 1349 CD1 PHE A 96 -5.732 -6.554 8.087 1.00 21.14 C ATOM 1350 CD2 PHE A 96 -4.066 -5.139 9.153 1.00 11.32 C ATOM 1351 CE1 PHE A 96 -6.666 -6.209 9.075 1.00 21.23 C ATOM 1352 CE2 PHE A 96 -5.006 -4.776 10.132 1.00 21.02 C ATOM 1353 CZ PHE A 96 -6.314 -5.287 10.076 1.00 43.13 C ATOM 0 H PHE A 96 -2.227 -5.742 4.558 1.00 64.41 H new ATOM 0 HA PHE A 96 -4.982 -5.435 5.590 1.00 20.41 H new ATOM 0 HB2 PHE A 96 -3.545 -7.302 6.672 1.00 71.12 H new ATOM 0 HB3 PHE A 96 -2.493 -6.018 7.232 1.00 71.12 H new ATOM 0 HD1 PHE A 96 -6.006 -7.248 7.306 1.00 21.14 H new ATOM 0 HD2 PHE A 96 -3.057 -4.757 9.203 1.00 11.32 H new ATOM 0 HE1 PHE A 96 -7.652 -6.650 9.067 1.00 21.23 H new ATOM 0 HE2 PHE A 96 -4.723 -4.104 10.928 1.00 21.02 H new ATOM 0 HZ PHE A 96 -7.049 -4.971 10.802 1.00 43.13 H new ATOM 1362 N ILE A 97 -4.167 -3.239 6.821 1.00 21.11 N ATOM 1363 CA ILE A 97 -3.916 -1.840 7.113 1.00 35.25 C ATOM 1364 C ILE A 97 -4.219 -1.511 8.576 1.00 14.25 C ATOM 1365 O ILE A 97 -5.230 -1.976 9.103 1.00 20.05 O ATOM 1366 CB ILE A 97 -4.786 -0.940 6.204 1.00 24.35 C ATOM 1367 CG1 ILE A 97 -6.077 -1.581 5.655 1.00 74.03 C ATOM 1368 CG2 ILE A 97 -3.969 -0.234 5.128 1.00 41.50 C ATOM 1369 CD1 ILE A 97 -6.887 -0.589 4.826 1.00 54.12 C ATOM 0 H ILE A 97 -4.896 -3.650 7.404 1.00 21.11 H new ATOM 0 HA ILE A 97 -2.859 -1.651 6.923 1.00 35.25 H new ATOM 0 HB ILE A 97 -5.160 -0.174 6.884 1.00 24.35 H new ATOM 0 HG12 ILE A 97 -5.823 -2.446 5.042 1.00 74.03 H new ATOM 0 HG13 ILE A 97 -6.684 -1.945 6.484 1.00 74.03 H new ATOM 0 HG21 ILE A 97 -4.628 0.384 4.518 1.00 41.50 H new ATOM 0 HG22 ILE A 97 -3.214 0.395 5.599 1.00 41.50 H new ATOM 0 HG23 ILE A 97 -3.481 -0.976 4.496 1.00 41.50 H new ATOM 0 HD11 ILE A 97 -7.789 -1.076 4.456 1.00 54.12 H new ATOM 0 HD12 ILE A 97 -7.163 0.264 5.446 1.00 54.12 H new ATOM 0 HD13 ILE A 97 -6.288 -0.245 3.983 1.00 54.12 H new ATOM 1380 N PRO A 98 -3.433 -0.616 9.202 1.00 54.11 N ATOM 1381 CA PRO A 98 -3.710 -0.105 10.532 1.00 71.22 C ATOM 1382 C PRO A 98 -4.765 1.005 10.475 1.00 64.04 C ATOM 1383 O PRO A 98 -4.470 2.195 10.615 1.00 3.15 O ATOM 1384 CB PRO A 98 -2.376 0.404 11.062 1.00 31.03 C ATOM 1385 CG PRO A 98 -1.672 0.884 9.790 1.00 32.23 C ATOM 1386 CD PRO A 98 -2.165 -0.084 8.721 1.00 60.32 C ATOM 0 HA PRO A 98 -4.121 -0.872 11.189 1.00 71.22 H new ATOM 0 HB2 PRO A 98 -2.508 1.212 11.782 1.00 31.03 H new ATOM 0 HB3 PRO A 98 -1.813 -0.382 11.565 1.00 31.03 H new ATOM 0 HG2 PRO A 98 -1.935 1.914 9.550 1.00 32.23 H new ATOM 0 HG3 PRO A 98 -0.588 0.848 9.894 1.00 32.23 H new ATOM 0 HD2 PRO A 98 -2.295 0.425 7.766 1.00 60.32 H new ATOM 0 HD3 PRO A 98 -1.444 -0.885 8.560 1.00 60.32 H new ATOM 1391 N GLN A 99 -6.010 0.600 10.261 1.00 21.05 N ATOM 1392 CA GLN A 99 -7.154 1.500 10.279 1.00 72.14 C ATOM 1393 C GLN A 99 -7.652 1.680 11.709 1.00 40.13 C ATOM 1394 O GLN A 99 -7.240 0.948 12.615 1.00 32.33 O ATOM 1395 CB GLN A 99 -8.237 0.978 9.321 1.00 23.15 C ATOM 1396 CG GLN A 99 -7.737 0.852 7.882 1.00 44.44 C ATOM 1397 CD GLN A 99 -6.960 2.086 7.433 1.00 1.23 C ATOM 1398 OE1 GLN A 99 -5.758 2.071 7.176 1.00 54.43 O ATOM 1399 NE2 GLN A 99 -7.604 3.223 7.383 1.00 14.53 N ATOM 0 H GLN A 99 -6.256 -0.371 10.068 1.00 21.05 H new ATOM 0 HA GLN A 99 -6.865 2.489 9.923 1.00 72.14 H new ATOM 0 HB2 GLN A 99 -8.585 0.005 9.667 1.00 23.15 H new ATOM 0 HB3 GLN A 99 -9.094 1.651 9.346 1.00 23.15 H new ATOM 0 HG2 GLN A 99 -7.100 -0.028 7.796 1.00 44.44 H new ATOM 0 HG3 GLN A 99 -8.586 0.697 7.216 1.00 44.44 H new ATOM 0 HE21 GLN A 99 -8.602 3.254 7.593 1.00 14.53 H new ATOM 0 HE22 GLN A 99 -7.109 4.079 7.134 1.00 14.53 H new