USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 800 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 40 LYS NZ :NH3+ -160:sc= 2.19 (180deg=-0.332!) USER MOD Set 1.2: A 91 GLN : amide:sc= -0.0577 K(o=2.1,f=-7.5!) USER MOD Set 2.1: A 67 THR OG1 : rot -150:sc= -0.0656 USER MOD Set 2.2: A 90 SER OG : rot 100:sc= 0.178 USER MOD Set 3.1: A 54 THR OG1 : rot -38:sc= 1.55 USER MOD Set 3.2: A 76 LYS NZ :NH3+ -164:sc= 0.329! (180deg=-1.14!) USER MOD Set 4.1: A 42 ASN : amide:sc= -2.02! C(o=-2!,f=-3.5!) USER MOD Set 4.2: A 62 SER OG : rot -43:sc= 0.00206 USER MOD Set 5.1: A 49 ASN :FLIP amide:sc= -0.0235 F(o=-1.4!,f=-0.023) USER MOD Set 5.2: A 51 ASN : amide:sc= 0 K(o=-0.023,f=-0.74) USER MOD Set 6.1: A 19 ASN : amide:sc= 0.42 K(o=0.67,f=-0.73) USER MOD Set 6.2: A 80 ASN : amide:sc= 0.247 K(o=0.67,f=-0.73) USER MOD Set 7.1: A 12 TYR OH : rot -135:sc= 0.531 USER MOD Set 7.2: A 98 SER OG : rot 180:sc= 0.49 USER MOD Single : A 6 GLN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 179:sc= 1.18 (180deg=1.13) USER MOD Single : A 11 TYR OH : rot 110:sc= -1.68! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 140:sc= 1.13 USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 18 TYR OH : rot 130:sc= 0.466 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 22 THR OG1 : rot 160:sc= -0.124 USER MOD Single : A 24 TYR OH : rot 180:sc= -0.619 USER MOD Single : A 25 ASN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 27 THR OG1 : rot 78:sc= 0.719 USER MOD Single : A 29 GLN : amide:sc=-0.00142 K(o=-0.0014,f=-0.52) USER MOD Single : A 32 GLN : amide:sc= 0.607 K(o=0.61,f=-2.2!) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.0013 F(o=-1.5,f=-0.0013) USER MOD Single : A 35 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.54) USER MOD Single : A 36 THR OG1 : rot 100:sc= -1.16 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -42:sc= 0.639 USER MOD Single : A 44 TYR OH : rot 40:sc= 2.21 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -148:sc= 0.185 (180deg=-1.12!) USER MOD Single : A 52 ASN : amide:sc= 1.07 K(o=1.1,f=-0.39) USER MOD Single : A 60 SER OG : rot 62:sc= 1.23 USER MOD Single : A 64 SER OG : rot 0:sc= 0.389 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 1.14 K(o=1.1,f=-3.5!) USER MOD Single : A 74 MET CE :methyl -124:sc= -0.976 (180deg=-2.32) USER MOD Single : A 75 LYS NZ :NH3+ 150:sc= 0.678 (180deg=-1.72!) USER MOD Single : A 79 ASN : amide:sc= -0.116 K(o=-0.12,f=-2.2!) USER MOD Single : A 82 THR OG1 : rot 77:sc= -1.14! USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 158:sc= 0.732 (180deg=-0.341) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -1.04! C(o=-1!,f=-7.4!) USER MOD Single : A 94 SER OG : rot -170:sc= -0.115 USER MOD Single : A 97 SER OG : rot 69:sc= -0.299 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 72 N GLN A 6 -3.034 -11.459 5.378 1.00 64.32 N ATOM 73 CA GLN A 6 -2.159 -12.596 5.397 1.00 13.05 C ATOM 74 C GLN A 6 -0.749 -12.118 5.155 1.00 55.44 C ATOM 75 O GLN A 6 -0.520 -11.240 4.317 1.00 60.21 O ATOM 76 CB GLN A 6 -2.540 -13.588 4.292 1.00 72.21 C ATOM 77 CG GLN A 6 -3.955 -14.145 4.387 1.00 31.40 C ATOM 78 CD GLN A 6 -4.303 -15.088 3.241 1.00 44.41 C ATOM 79 OE1 GLN A 6 -3.733 -14.858 2.076 1.00 24.32 O flip ATOM 80 NE2 GLN A 6 -5.083 -16.006 3.400 1.00 32.32 N flip ATOM 0 HA GLN A 6 -2.242 -13.095 6.363 1.00 13.05 H new ATOM 0 HB2 GLN A 6 -2.423 -13.096 3.327 1.00 72.21 H new ATOM 0 HB3 GLN A 6 -1.836 -14.420 4.313 1.00 72.21 H new ATOM 0 HG2 GLN A 6 -4.068 -14.675 5.333 1.00 31.40 H new ATOM 0 HG3 GLN A 6 -4.665 -13.318 4.398 1.00 31.40 H new ATOM 0 HE21 GLN A 6 -5.509 -16.160 4.314 1.00 32.32 H new ATOM 0 HE22 GLN A 6 -5.311 -16.622 2.620 1.00 32.32 H new ATOM 89 N TYR A 7 0.173 -12.654 5.881 1.00 0.03 N ATOM 90 CA TYR A 7 1.557 -12.352 5.687 1.00 42.42 C ATOM 91 C TYR A 7 2.304 -13.630 5.379 1.00 21.12 C ATOM 92 O TYR A 7 2.202 -14.607 6.122 1.00 14.03 O ATOM 93 CB TYR A 7 2.161 -11.572 6.887 1.00 51.04 C ATOM 94 CG TYR A 7 2.013 -12.229 8.255 1.00 13.21 C ATOM 95 CD1 TYR A 7 0.856 -12.054 9.008 1.00 20.24 C ATOM 96 CD2 TYR A 7 3.031 -13.009 8.791 1.00 34.42 C ATOM 97 CE1 TYR A 7 0.718 -12.640 10.253 1.00 40.43 C ATOM 98 CE2 TYR A 7 2.900 -13.598 10.036 1.00 54.23 C ATOM 99 CZ TYR A 7 1.741 -13.409 10.761 1.00 64.41 C ATOM 100 OH TYR A 7 1.609 -13.991 12.000 1.00 4.33 O ATOM 0 H TYR A 7 -0.010 -13.319 6.632 1.00 0.03 H new ATOM 0 HA TYR A 7 1.660 -11.681 4.834 1.00 42.42 H new ATOM 0 HB2 TYR A 7 3.222 -11.414 6.695 1.00 51.04 H new ATOM 0 HB3 TYR A 7 1.695 -10.588 6.927 1.00 51.04 H new ATOM 0 HD1 TYR A 7 0.052 -11.450 8.613 1.00 20.24 H new ATOM 0 HD2 TYR A 7 3.939 -13.158 8.226 1.00 34.42 H new ATOM 0 HE1 TYR A 7 -0.187 -12.495 10.824 1.00 40.43 H new ATOM 0 HE2 TYR A 7 3.700 -14.202 10.438 1.00 54.23 H new ATOM 0 HH TYR A 7 2.419 -14.501 12.210 1.00 4.33 H new ATOM 110 N LYS A 8 3.001 -13.655 4.284 1.00 61.32 N ATOM 111 CA LYS A 8 3.729 -14.837 3.907 1.00 33.42 C ATOM 112 C LYS A 8 5.051 -14.440 3.318 1.00 51.33 C ATOM 113 O LYS A 8 5.099 -13.688 2.361 1.00 61.54 O ATOM 114 CB LYS A 8 2.911 -15.690 2.911 1.00 10.31 C ATOM 115 CG LYS A 8 3.552 -17.029 2.510 1.00 4.45 C ATOM 116 CD LYS A 8 3.762 -17.949 3.717 1.00 21.34 C ATOM 117 CE LYS A 8 4.305 -19.328 3.312 1.00 70.13 C ATOM 118 NZ LYS A 8 5.637 -19.267 2.663 1.00 4.42 N ATOM 0 H LYS A 8 3.084 -12.874 3.634 1.00 61.32 H new ATOM 0 HA LYS A 8 3.906 -15.448 4.792 1.00 33.42 H new ATOM 0 HB2 LYS A 8 1.933 -15.891 3.348 1.00 10.31 H new ATOM 0 HB3 LYS A 8 2.742 -15.102 2.009 1.00 10.31 H new ATOM 0 HG2 LYS A 8 2.918 -17.530 1.778 1.00 4.45 H new ATOM 0 HG3 LYS A 8 4.510 -16.842 2.026 1.00 4.45 H new ATOM 0 HD2 LYS A 8 4.456 -17.478 4.413 1.00 21.34 H new ATOM 0 HD3 LYS A 8 2.816 -18.074 4.245 1.00 21.34 H new ATOM 0 HE2 LYS A 8 4.369 -19.960 4.198 1.00 70.13 H new ATOM 0 HE3 LYS A 8 3.599 -19.803 2.632 1.00 70.13 H new ATOM 0 HZ1 LYS A 8 5.954 -20.230 2.430 1.00 4.42 H new ATOM 0 HZ2 LYS A 8 5.573 -18.703 1.792 1.00 4.42 H new ATOM 0 HZ3 LYS A 8 6.319 -18.825 3.312 1.00 4.42 H new ATOM 132 N ASP A 9 6.112 -14.905 3.958 1.00 32.42 N ATOM 133 CA ASP A 9 7.520 -14.702 3.539 1.00 71.04 C ATOM 134 C ASP A 9 7.825 -13.222 3.362 1.00 75.44 C ATOM 135 O ASP A 9 8.601 -12.832 2.515 1.00 44.52 O ATOM 136 CB ASP A 9 7.811 -15.453 2.219 1.00 51.22 C ATOM 137 CG ASP A 9 7.352 -16.891 2.246 1.00 3.41 C ATOM 138 OD1 ASP A 9 7.612 -17.619 3.244 1.00 1.00 O ATOM 139 OD2 ASP A 9 6.617 -17.314 1.323 1.00 43.35 O ATOM 0 H ASP A 9 6.031 -15.454 4.814 1.00 32.42 H new ATOM 0 HA ASP A 9 8.161 -15.102 4.325 1.00 71.04 H new ATOM 0 HB2 ASP A 9 7.318 -14.935 1.396 1.00 51.22 H new ATOM 0 HB3 ASP A 9 8.882 -15.423 2.018 1.00 51.22 H new ATOM 144 N GLY A 10 7.248 -12.407 4.218 1.00 63.44 N ATOM 145 CA GLY A 10 7.492 -10.990 4.161 1.00 53.34 C ATOM 146 C GLY A 10 6.479 -10.239 3.311 1.00 42.34 C ATOM 147 O GLY A 10 6.362 -9.016 3.438 1.00 40.14 O ATOM 0 H GLY A 10 6.610 -12.703 4.957 1.00 63.44 H new ATOM 0 HA2 GLY A 10 7.478 -10.585 5.173 1.00 53.34 H new ATOM 0 HA3 GLY A 10 8.491 -10.816 3.762 1.00 53.34 H new ATOM 151 N TYR A 11 5.758 -10.953 2.454 1.00 62.30 N ATOM 152 CA TYR A 11 4.755 -10.346 1.583 1.00 23.40 C ATOM 153 C TYR A 11 3.517 -10.063 2.425 1.00 73.01 C ATOM 154 O TYR A 11 3.164 -10.864 3.309 1.00 35.24 O ATOM 155 CB TYR A 11 4.414 -11.307 0.414 1.00 15.41 C ATOM 156 CG TYR A 11 3.687 -10.675 -0.774 1.00 33.11 C ATOM 157 CD1 TYR A 11 2.338 -10.365 -0.718 1.00 4.02 C ATOM 158 CD2 TYR A 11 4.367 -10.396 -1.955 1.00 40.14 C ATOM 159 CE1 TYR A 11 1.687 -9.796 -1.795 1.00 34.22 C ATOM 160 CE2 TYR A 11 3.723 -9.828 -3.038 1.00 64.21 C ATOM 161 CZ TYR A 11 2.383 -9.531 -2.951 1.00 15.22 C ATOM 162 OH TYR A 11 1.735 -8.962 -4.019 1.00 5.13 O ATOM 0 H TYR A 11 5.850 -11.963 2.343 1.00 62.30 H new ATOM 0 HA TYR A 11 5.132 -9.419 1.151 1.00 23.40 H new ATOM 0 HB2 TYR A 11 5.340 -11.754 0.053 1.00 15.41 H new ATOM 0 HB3 TYR A 11 3.799 -12.119 0.803 1.00 15.41 H new ATOM 0 HD1 TYR A 11 1.784 -10.572 0.186 1.00 4.02 H new ATOM 0 HD2 TYR A 11 5.419 -10.628 -2.027 1.00 40.14 H new ATOM 0 HE1 TYR A 11 0.635 -9.560 -1.730 1.00 34.22 H new ATOM 0 HE2 TYR A 11 4.268 -9.619 -3.946 1.00 64.21 H new ATOM 0 HH TYR A 11 2.047 -8.041 -4.138 1.00 5.13 H new ATOM 172 N TYR A 12 2.881 -8.946 2.181 1.00 54.44 N ATOM 173 CA TYR A 12 1.739 -8.546 2.964 1.00 4.31 C ATOM 174 C TYR A 12 0.519 -8.455 2.056 1.00 54.21 C ATOM 175 O TYR A 12 0.528 -7.723 1.057 1.00 31.20 O ATOM 176 CB TYR A 12 2.026 -7.191 3.628 1.00 42.34 C ATOM 177 CG TYR A 12 1.081 -6.812 4.754 1.00 65.34 C ATOM 178 CD1 TYR A 12 -0.109 -6.143 4.513 1.00 31.53 C ATOM 179 CD2 TYR A 12 1.405 -7.113 6.068 1.00 74.52 C ATOM 180 CE1 TYR A 12 -0.945 -5.786 5.554 1.00 43.31 C ATOM 181 CE2 TYR A 12 0.572 -6.765 7.110 1.00 41.34 C ATOM 182 CZ TYR A 12 -0.600 -6.098 6.848 1.00 50.24 C ATOM 183 OH TYR A 12 -1.433 -5.730 7.887 1.00 23.03 O ATOM 0 H TYR A 12 3.137 -8.293 1.441 1.00 54.44 H new ATOM 0 HA TYR A 12 1.542 -9.280 3.745 1.00 4.31 H new ATOM 0 HB2 TYR A 12 3.044 -7.203 4.018 1.00 42.34 H new ATOM 0 HB3 TYR A 12 1.986 -6.414 2.864 1.00 42.34 H new ATOM 0 HD1 TYR A 12 -0.386 -5.898 3.499 1.00 31.53 H new ATOM 0 HD2 TYR A 12 2.329 -7.631 6.280 1.00 74.52 H new ATOM 0 HE1 TYR A 12 -1.868 -5.263 5.351 1.00 43.31 H new ATOM 0 HE2 TYR A 12 0.839 -7.015 8.126 1.00 41.34 H new ATOM 0 HH TYR A 12 -0.900 -5.341 8.612 1.00 23.03 H new ATOM 193 N ILE A 13 -0.495 -9.220 2.379 1.00 35.53 N ATOM 194 CA ILE A 13 -1.731 -9.248 1.624 1.00 3.14 C ATOM 195 C ILE A 13 -2.848 -8.805 2.545 1.00 34.12 C ATOM 196 O ILE A 13 -2.928 -9.280 3.676 1.00 2.43 O ATOM 197 CB ILE A 13 -2.054 -10.698 1.144 1.00 62.23 C ATOM 198 CG1 ILE A 13 -0.866 -11.290 0.375 1.00 12.43 C ATOM 199 CG2 ILE A 13 -3.317 -10.712 0.274 1.00 25.52 C ATOM 200 CD1 ILE A 13 -1.037 -12.737 -0.037 1.00 21.40 C ATOM 0 H ILE A 13 -0.489 -9.849 3.182 1.00 35.53 H new ATOM 0 HA ILE A 13 -1.634 -8.596 0.756 1.00 3.14 H new ATOM 0 HB ILE A 13 -2.236 -11.315 2.024 1.00 62.23 H new ATOM 0 HG12 ILE A 13 -0.694 -10.690 -0.518 1.00 12.43 H new ATOM 0 HG13 ILE A 13 0.028 -11.206 0.993 1.00 12.43 H new ATOM 0 HG21 ILE A 13 -3.524 -11.732 -0.050 1.00 25.52 H new ATOM 0 HG22 ILE A 13 -4.161 -10.336 0.852 1.00 25.52 H new ATOM 0 HG23 ILE A 13 -3.164 -10.078 -0.599 1.00 25.52 H new ATOM 0 HD11 ILE A 13 -0.149 -13.070 -0.574 1.00 21.40 H new ATOM 0 HD12 ILE A 13 -1.176 -13.354 0.851 1.00 21.40 H new ATOM 0 HD13 ILE A 13 -1.909 -12.830 -0.684 1.00 21.40 H new ATOM 212 N THR A 14 -3.676 -7.894 2.106 1.00 74.33 N ATOM 213 CA THR A 14 -4.803 -7.497 2.898 1.00 62.35 C ATOM 214 C THR A 14 -5.874 -6.876 2.018 1.00 44.11 C ATOM 215 O THR A 14 -5.585 -6.270 0.981 1.00 74.21 O ATOM 216 CB THR A 14 -4.407 -6.516 4.057 1.00 40.45 C ATOM 217 OG1 THR A 14 -5.539 -6.271 4.941 1.00 32.20 O ATOM 218 CG2 THR A 14 -3.911 -5.187 3.505 1.00 64.55 C ATOM 0 H THR A 14 -3.590 -7.417 1.209 1.00 74.33 H new ATOM 0 HA THR A 14 -5.200 -8.398 3.366 1.00 62.35 H new ATOM 0 HB THR A 14 -3.604 -6.991 4.621 1.00 40.45 H new ATOM 0 HG1 THR A 14 -5.269 -5.658 5.657 1.00 32.20 H new ATOM 0 HG21 THR A 14 -3.644 -4.527 4.330 1.00 64.55 H new ATOM 0 HG22 THR A 14 -3.035 -5.357 2.878 1.00 64.55 H new ATOM 0 HG23 THR A 14 -4.698 -4.724 2.910 1.00 64.55 H new ATOM 226 N THR A 15 -7.081 -7.074 2.407 1.00 50.21 N ATOM 227 CA THR A 15 -8.209 -6.492 1.776 1.00 11.43 C ATOM 228 C THR A 15 -8.644 -5.312 2.635 1.00 74.54 C ATOM 229 O THR A 15 -8.550 -5.368 3.868 1.00 4.13 O ATOM 230 CB THR A 15 -9.369 -7.511 1.725 1.00 43.54 C ATOM 231 OG1 THR A 15 -8.855 -8.794 1.309 1.00 55.42 O ATOM 232 CG2 THR A 15 -10.448 -7.063 0.743 1.00 42.22 C ATOM 0 H THR A 15 -7.319 -7.667 3.202 1.00 50.21 H new ATOM 0 HA THR A 15 -7.959 -6.185 0.761 1.00 11.43 H new ATOM 0 HB THR A 15 -9.811 -7.582 2.719 1.00 43.54 H new ATOM 0 HG1 THR A 15 -9.286 -9.504 1.829 1.00 55.42 H new ATOM 0 HG21 THR A 15 -11.253 -7.798 0.726 1.00 42.22 H new ATOM 0 HG22 THR A 15 -10.845 -6.097 1.055 1.00 42.22 H new ATOM 0 HG23 THR A 15 -10.018 -6.974 -0.254 1.00 42.22 H new ATOM 240 N LEU A 16 -9.017 -4.251 2.012 1.00 15.14 N ATOM 241 CA LEU A 16 -9.577 -3.140 2.689 1.00 12.22 C ATOM 242 C LEU A 16 -10.959 -2.957 2.173 1.00 25.00 C ATOM 243 O LEU A 16 -11.159 -2.779 0.974 1.00 32.22 O ATOM 244 CB LEU A 16 -8.748 -1.875 2.457 1.00 34.11 C ATOM 245 CG LEU A 16 -7.343 -1.875 3.062 1.00 65.22 C ATOM 246 CD1 LEU A 16 -6.640 -0.561 2.780 1.00 50.24 C ATOM 247 CD2 LEU A 16 -7.407 -2.140 4.560 1.00 1.52 C ATOM 0 H LEU A 16 -8.940 -4.130 1.002 1.00 15.14 H new ATOM 0 HA LEU A 16 -9.585 -3.322 3.764 1.00 12.22 H new ATOM 0 HB2 LEU A 16 -8.660 -1.714 1.383 1.00 34.11 H new ATOM 0 HB3 LEU A 16 -9.297 -1.025 2.862 1.00 34.11 H new ATOM 0 HG LEU A 16 -6.768 -2.676 2.597 1.00 65.22 H new ATOM 0 HD11 LEU A 16 -5.642 -0.581 3.218 1.00 50.24 H new ATOM 0 HD12 LEU A 16 -6.560 -0.415 1.703 1.00 50.24 H new ATOM 0 HD13 LEU A 16 -7.212 0.258 3.216 1.00 50.24 H new ATOM 0 HD21 LEU A 16 -6.398 -2.136 4.974 1.00 1.52 H new ATOM 0 HD22 LEU A 16 -8.000 -1.362 5.042 1.00 1.52 H new ATOM 0 HD23 LEU A 16 -7.869 -3.111 4.738 1.00 1.52 H new ATOM 259 N ASN A 17 -11.908 -2.998 3.048 1.00 31.11 N ATOM 260 CA ASN A 17 -13.291 -2.878 2.649 1.00 4.23 C ATOM 261 C ASN A 17 -13.689 -1.428 2.611 1.00 60.23 C ATOM 262 O ASN A 17 -14.445 -0.946 3.448 1.00 11.14 O ATOM 263 CB ASN A 17 -14.223 -3.707 3.553 1.00 51.40 C ATOM 264 CG ASN A 17 -13.962 -5.207 3.451 1.00 71.13 C ATOM 265 OD1 ASN A 17 -13.544 -5.711 2.412 1.00 35.35 O ATOM 266 ND2 ASN A 17 -14.198 -5.930 4.526 1.00 72.25 N ATOM 0 H ASN A 17 -11.761 -3.114 4.051 1.00 31.11 H new ATOM 0 HA ASN A 17 -13.396 -3.289 1.645 1.00 4.23 H new ATOM 0 HB2 ASN A 17 -14.095 -3.390 4.588 1.00 51.40 H new ATOM 0 HB3 ASN A 17 -15.259 -3.504 3.283 1.00 51.40 H new ATOM 0 HD21 ASN A 17 -14.034 -6.937 4.510 1.00 72.25 H new ATOM 0 HD22 ASN A 17 -14.545 -5.483 5.375 1.00 72.25 H new ATOM 273 N TYR A 18 -13.056 -0.721 1.700 1.00 53.11 N ATOM 274 CA TYR A 18 -13.285 0.675 1.455 1.00 24.14 C ATOM 275 C TYR A 18 -13.177 0.902 -0.044 1.00 21.32 C ATOM 276 O TYR A 18 -12.507 0.113 -0.742 1.00 14.42 O ATOM 277 CB TYR A 18 -12.260 1.556 2.204 1.00 65.40 C ATOM 278 CG TYR A 18 -12.294 1.436 3.727 1.00 23.42 C ATOM 279 CD1 TYR A 18 -13.253 2.107 4.477 1.00 35.23 C ATOM 280 CD2 TYR A 18 -11.368 0.651 4.406 1.00 31.14 C ATOM 281 CE1 TYR A 18 -13.289 1.997 5.856 1.00 15.05 C ATOM 282 CE2 TYR A 18 -11.399 0.535 5.785 1.00 50.23 C ATOM 283 CZ TYR A 18 -12.361 1.209 6.504 1.00 51.23 C ATOM 284 OH TYR A 18 -12.400 1.092 7.888 1.00 52.42 O ATOM 0 H TYR A 18 -12.343 -1.123 1.091 1.00 53.11 H new ATOM 0 HA TYR A 18 -14.273 0.954 1.821 1.00 24.14 H new ATOM 0 HB2 TYR A 18 -11.260 1.298 1.857 1.00 65.40 H new ATOM 0 HB3 TYR A 18 -12.432 2.598 1.933 1.00 65.40 H new ATOM 0 HD1 TYR A 18 -13.983 2.725 3.975 1.00 35.23 H new ATOM 0 HD2 TYR A 18 -10.611 0.122 3.847 1.00 31.14 H new ATOM 0 HE1 TYR A 18 -14.041 2.526 6.423 1.00 15.05 H new ATOM 0 HE2 TYR A 18 -10.673 -0.081 6.294 1.00 50.23 H new ATOM 0 HH TYR A 18 -12.372 0.145 8.137 1.00 52.42 H new ATOM 294 N ASN A 19 -13.774 1.979 -0.521 1.00 54.20 N ATOM 295 CA ASN A 19 -13.863 2.268 -1.959 1.00 24.41 C ATOM 296 C ASN A 19 -12.493 2.557 -2.554 1.00 33.32 C ATOM 297 O ASN A 19 -11.695 3.292 -1.972 1.00 33.54 O ATOM 298 CB ASN A 19 -14.823 3.441 -2.232 1.00 4.22 C ATOM 299 CG ASN A 19 -14.940 3.782 -3.720 1.00 12.14 C ATOM 300 OD1 ASN A 19 -14.162 4.576 -4.250 1.00 63.34 O ATOM 301 ND2 ASN A 19 -15.912 3.203 -4.396 1.00 14.34 N ATOM 0 H ASN A 19 -14.214 2.684 0.070 1.00 54.20 H new ATOM 0 HA ASN A 19 -14.262 1.377 -2.443 1.00 24.41 H new ATOM 0 HB2 ASN A 19 -15.811 3.194 -1.842 1.00 4.22 H new ATOM 0 HB3 ASN A 19 -14.477 4.321 -1.689 1.00 4.22 H new ATOM 0 HD21 ASN A 19 -16.036 3.408 -5.387 1.00 14.34 H new ATOM 0 HD22 ASN A 19 -16.540 2.550 -3.928 1.00 14.34 H new ATOM 308 N PHE A 20 -12.249 1.981 -3.720 1.00 12.34 N ATOM 309 CA PHE A 20 -10.965 2.032 -4.411 1.00 42.22 C ATOM 310 C PHE A 20 -10.368 3.429 -4.506 1.00 72.32 C ATOM 311 O PHE A 20 -9.210 3.623 -4.181 1.00 42.11 O ATOM 312 CB PHE A 20 -11.119 1.406 -5.800 1.00 14.33 C ATOM 313 CG PHE A 20 -11.983 2.168 -6.801 1.00 64.34 C ATOM 314 CD1 PHE A 20 -13.369 2.113 -6.736 1.00 70.43 C ATOM 315 CD2 PHE A 20 -11.398 2.920 -7.809 1.00 12.15 C ATOM 316 CE1 PHE A 20 -14.148 2.792 -7.652 1.00 14.14 C ATOM 317 CE2 PHE A 20 -12.173 3.604 -8.725 1.00 24.32 C ATOM 318 CZ PHE A 20 -13.549 3.541 -8.645 1.00 72.34 C ATOM 0 H PHE A 20 -12.956 1.450 -4.228 1.00 12.34 H new ATOM 0 HA PHE A 20 -10.255 1.460 -3.813 1.00 42.22 H new ATOM 0 HB2 PHE A 20 -10.125 1.284 -6.231 1.00 14.33 H new ATOM 0 HB3 PHE A 20 -11.538 0.407 -5.679 1.00 14.33 H new ATOM 0 HD1 PHE A 20 -13.844 1.532 -5.959 1.00 70.43 H new ATOM 0 HD2 PHE A 20 -10.321 2.971 -7.879 1.00 12.15 H new ATOM 0 HE1 PHE A 20 -15.225 2.737 -7.592 1.00 14.14 H new ATOM 0 HE2 PHE A 20 -11.703 4.187 -9.503 1.00 24.32 H new ATOM 0 HZ PHE A 20 -14.157 4.077 -9.359 1.00 72.34 H new ATOM 328 N ASN A 21 -11.177 4.384 -4.896 1.00 63.15 N ATOM 329 CA ASN A 21 -10.710 5.769 -5.104 1.00 64.34 C ATOM 330 C ASN A 21 -10.112 6.359 -3.829 1.00 20.33 C ATOM 331 O ASN A 21 -8.983 6.856 -3.831 1.00 2.01 O ATOM 332 CB ASN A 21 -11.840 6.676 -5.621 1.00 20.43 C ATOM 333 CG ASN A 21 -11.372 8.109 -5.894 1.00 2.02 C ATOM 334 OD1 ASN A 21 -10.230 8.347 -6.264 1.00 51.55 O ATOM 335 ND2 ASN A 21 -12.249 9.065 -5.709 1.00 32.25 N ATOM 0 H ASN A 21 -12.170 4.245 -5.081 1.00 63.15 H new ATOM 0 HA ASN A 21 -9.929 5.724 -5.863 1.00 64.34 H new ATOM 0 HB2 ASN A 21 -12.250 6.252 -6.537 1.00 20.43 H new ATOM 0 HB3 ASN A 21 -12.648 6.695 -4.889 1.00 20.43 H new ATOM 0 HD21 ASN A 21 -11.987 10.037 -5.874 1.00 32.25 H new ATOM 0 HD22 ASN A 21 -13.194 8.837 -5.400 1.00 32.25 H new ATOM 342 N THR A 22 -10.830 6.232 -2.731 1.00 22.31 N ATOM 343 CA THR A 22 -10.367 6.779 -1.481 1.00 53.40 C ATOM 344 C THR A 22 -9.127 6.026 -0.977 1.00 41.40 C ATOM 345 O THR A 22 -8.220 6.639 -0.410 1.00 5.03 O ATOM 346 CB THR A 22 -11.496 6.924 -0.400 1.00 31.11 C ATOM 347 OG1 THR A 22 -10.988 7.504 0.805 1.00 62.22 O ATOM 348 CG2 THR A 22 -12.164 5.603 -0.078 1.00 14.12 C ATOM 0 H THR A 22 -11.731 5.757 -2.683 1.00 22.31 H new ATOM 0 HA THR A 22 -10.059 7.806 -1.678 1.00 53.40 H new ATOM 0 HB THR A 22 -12.246 7.586 -0.834 1.00 31.11 H new ATOM 0 HG1 THR A 22 -11.729 7.876 1.327 1.00 62.22 H new ATOM 0 HG21 THR A 22 -12.937 5.760 0.675 1.00 14.12 H new ATOM 0 HG22 THR A 22 -12.616 5.194 -0.982 1.00 14.12 H new ATOM 0 HG23 THR A 22 -11.421 4.903 0.305 1.00 14.12 H new ATOM 356 N VAL A 23 -9.085 4.708 -1.207 1.00 44.42 N ATOM 357 CA VAL A 23 -7.922 3.902 -0.842 1.00 3.03 C ATOM 358 C VAL A 23 -6.692 4.367 -1.625 1.00 23.13 C ATOM 359 O VAL A 23 -5.610 4.538 -1.048 1.00 42.12 O ATOM 360 CB VAL A 23 -8.159 2.383 -1.083 1.00 64.41 C ATOM 361 CG1 VAL A 23 -6.924 1.572 -0.717 1.00 24.20 C ATOM 362 CG2 VAL A 23 -9.350 1.893 -0.284 1.00 43.11 C ATOM 0 H VAL A 23 -9.842 4.182 -1.643 1.00 44.42 H new ATOM 0 HA VAL A 23 -7.754 4.043 0.226 1.00 3.03 H new ATOM 0 HB VAL A 23 -8.364 2.245 -2.145 1.00 64.41 H new ATOM 0 HG11 VAL A 23 -7.117 0.514 -0.895 1.00 24.20 H new ATOM 0 HG12 VAL A 23 -6.082 1.895 -1.329 1.00 24.20 H new ATOM 0 HG13 VAL A 23 -6.687 1.725 0.336 1.00 24.20 H new ATOM 0 HG21 VAL A 23 -9.498 0.829 -0.467 1.00 43.11 H new ATOM 0 HG22 VAL A 23 -9.168 2.057 0.778 1.00 43.11 H new ATOM 0 HG23 VAL A 23 -10.242 2.441 -0.588 1.00 43.11 H new ATOM 372 N TYR A 24 -6.875 4.606 -2.928 1.00 45.35 N ATOM 373 CA TYR A 24 -5.804 5.084 -3.785 1.00 70.51 C ATOM 374 C TYR A 24 -5.261 6.403 -3.256 1.00 22.03 C ATOM 375 O TYR A 24 -4.048 6.608 -3.192 1.00 4.45 O ATOM 376 CB TYR A 24 -6.289 5.282 -5.235 1.00 73.45 C ATOM 377 CG TYR A 24 -6.750 4.031 -5.986 1.00 71.44 C ATOM 378 CD1 TYR A 24 -6.479 2.747 -5.521 1.00 44.34 C ATOM 379 CD2 TYR A 24 -7.458 4.148 -7.176 1.00 44.33 C ATOM 380 CE1 TYR A 24 -6.900 1.630 -6.212 1.00 42.02 C ATOM 381 CE2 TYR A 24 -7.880 3.033 -7.873 1.00 63.11 C ATOM 382 CZ TYR A 24 -7.596 1.778 -7.384 1.00 30.11 C ATOM 383 OH TYR A 24 -8.024 0.663 -8.064 1.00 25.42 O ATOM 0 H TYR A 24 -7.765 4.472 -3.408 1.00 45.35 H new ATOM 0 HA TYR A 24 -5.017 4.330 -3.782 1.00 70.51 H new ATOM 0 HB2 TYR A 24 -7.114 5.994 -5.223 1.00 73.45 H new ATOM 0 HB3 TYR A 24 -5.480 5.741 -5.804 1.00 73.45 H new ATOM 0 HD1 TYR A 24 -5.928 2.623 -4.600 1.00 44.34 H new ATOM 0 HD2 TYR A 24 -7.683 5.131 -7.564 1.00 44.33 H new ATOM 0 HE1 TYR A 24 -6.682 0.643 -5.831 1.00 42.02 H new ATOM 0 HE2 TYR A 24 -8.429 3.145 -8.796 1.00 63.11 H new ATOM 0 HH TYR A 24 -8.503 0.937 -8.874 1.00 25.42 H new ATOM 393 N ASN A 25 -6.171 7.277 -2.842 1.00 23.23 N ATOM 394 CA ASN A 25 -5.804 8.580 -2.322 1.00 72.32 C ATOM 395 C ASN A 25 -5.031 8.463 -1.017 1.00 13.21 C ATOM 396 O ASN A 25 -3.950 9.027 -0.888 1.00 64.15 O ATOM 397 CB ASN A 25 -7.039 9.474 -2.101 1.00 31.34 C ATOM 398 CG ASN A 25 -7.676 10.066 -3.365 1.00 61.44 C ATOM 399 OD1 ASN A 25 -7.649 9.356 -4.465 1.00 51.42 O flip ATOM 400 ND2 ASN A 25 -8.214 11.159 -3.327 1.00 72.33 N flip ATOM 0 H ASN A 25 -7.175 7.100 -2.859 1.00 23.23 H new ATOM 0 HA ASN A 25 -5.164 9.042 -3.074 1.00 72.32 H new ATOM 0 HB2 ASN A 25 -7.796 8.891 -1.576 1.00 31.34 H new ATOM 0 HB3 ASN A 25 -6.755 10.295 -1.442 1.00 31.34 H new ATOM 0 HD21 ASN A 25 -8.222 11.693 -2.458 1.00 72.33 H new ATOM 0 HD22 ASN A 25 -8.656 11.539 -4.164 1.00 72.33 H new ATOM 407 N ALA A 26 -5.566 7.689 -0.081 1.00 20.15 N ATOM 408 CA ALA A 26 -4.983 7.551 1.260 1.00 43.03 C ATOM 409 C ALA A 26 -3.583 6.937 1.221 1.00 13.43 C ATOM 410 O ALA A 26 -2.665 7.436 1.880 1.00 60.45 O ATOM 411 CB ALA A 26 -5.905 6.738 2.154 1.00 12.24 C ATOM 0 H ALA A 26 -6.413 7.139 -0.223 1.00 20.15 H new ATOM 0 HA ALA A 26 -4.878 8.553 1.677 1.00 43.03 H new ATOM 0 HB1 ALA A 26 -5.461 6.643 3.145 1.00 12.24 H new ATOM 0 HB2 ALA A 26 -6.869 7.240 2.235 1.00 12.24 H new ATOM 0 HB3 ALA A 26 -6.047 5.747 1.724 1.00 12.24 H new ATOM 417 N THR A 27 -3.424 5.892 0.430 1.00 3.32 N ATOM 418 CA THR A 27 -2.145 5.213 0.272 1.00 50.05 C ATOM 419 C THR A 27 -1.097 6.176 -0.291 1.00 72.32 C ATOM 420 O THR A 27 0.031 6.263 0.220 1.00 71.21 O ATOM 421 CB THR A 27 -2.304 4.020 -0.692 1.00 55.40 C ATOM 422 OG1 THR A 27 -3.383 3.190 -0.242 1.00 21.12 O ATOM 423 CG2 THR A 27 -1.022 3.192 -0.769 1.00 34.41 C ATOM 0 H THR A 27 -4.179 5.487 -0.124 1.00 3.32 H new ATOM 0 HA THR A 27 -1.818 4.858 1.249 1.00 50.05 H new ATOM 0 HB THR A 27 -2.516 4.409 -1.688 1.00 55.40 H new ATOM 0 HG1 THR A 27 -4.237 3.602 -0.489 1.00 21.12 H new ATOM 0 HG21 THR A 27 -1.168 2.359 -1.457 1.00 34.41 H new ATOM 0 HG22 THR A 27 -0.205 3.819 -1.126 1.00 34.41 H new ATOM 0 HG23 THR A 27 -0.778 2.807 0.221 1.00 34.41 H new ATOM 431 N LEU A 28 -1.497 6.929 -1.306 1.00 61.14 N ATOM 432 CA LEU A 28 -0.631 7.889 -1.941 1.00 75.42 C ATOM 433 C LEU A 28 -0.215 8.962 -0.935 1.00 61.42 C ATOM 434 O LEU A 28 0.964 9.237 -0.773 1.00 44.31 O ATOM 435 CB LEU A 28 -1.343 8.508 -3.151 1.00 2.12 C ATOM 436 CG LEU A 28 -0.594 9.605 -3.911 1.00 3.31 C ATOM 437 CD1 LEU A 28 0.653 9.052 -4.582 1.00 63.11 C ATOM 438 CD2 LEU A 28 -1.507 10.267 -4.930 1.00 43.22 C ATOM 0 H LEU A 28 -2.434 6.885 -1.707 1.00 61.14 H new ATOM 0 HA LEU A 28 0.271 7.390 -2.294 1.00 75.42 H new ATOM 0 HB2 LEU A 28 -1.576 7.708 -3.853 1.00 2.12 H new ATOM 0 HB3 LEU A 28 -2.293 8.920 -2.811 1.00 2.12 H new ATOM 0 HG LEU A 28 -0.278 10.360 -3.191 1.00 3.31 H new ATOM 0 HD11 LEU A 28 1.165 9.853 -5.115 1.00 63.11 H new ATOM 0 HD12 LEU A 28 1.319 8.635 -3.826 1.00 63.11 H new ATOM 0 HD13 LEU A 28 0.370 8.270 -5.287 1.00 63.11 H new ATOM 0 HD21 LEU A 28 -0.957 11.044 -5.461 1.00 43.22 H new ATOM 0 HD22 LEU A 28 -1.859 9.521 -5.642 1.00 43.22 H new ATOM 0 HD23 LEU A 28 -2.361 10.711 -4.419 1.00 43.22 H new ATOM 450 N GLN A 29 -1.191 9.518 -0.235 1.00 4.41 N ATOM 451 CA GLN A 29 -0.948 10.552 0.775 1.00 21.04 C ATOM 452 C GLN A 29 0.044 10.091 1.840 1.00 24.04 C ATOM 453 O GLN A 29 1.008 10.797 2.132 1.00 22.44 O ATOM 454 CB GLN A 29 -2.252 10.984 1.451 1.00 71.10 C ATOM 455 CG GLN A 29 -3.244 11.670 0.531 1.00 75.42 C ATOM 456 CD GLN A 29 -4.546 12.015 1.236 1.00 64.31 C ATOM 457 OE1 GLN A 29 -4.575 12.267 2.435 1.00 4.13 O ATOM 458 NE2 GLN A 29 -5.629 12.022 0.500 1.00 34.33 N ATOM 0 H GLN A 29 -2.174 9.270 -0.346 1.00 4.41 H new ATOM 0 HA GLN A 29 -0.517 11.403 0.247 1.00 21.04 H new ATOM 0 HB2 GLN A 29 -2.728 10.106 1.887 1.00 71.10 H new ATOM 0 HB3 GLN A 29 -2.013 11.658 2.274 1.00 71.10 H new ATOM 0 HG2 GLN A 29 -2.797 12.581 0.134 1.00 75.42 H new ATOM 0 HG3 GLN A 29 -3.455 11.022 -0.319 1.00 75.42 H new ATOM 0 HE21 GLN A 29 -5.570 11.808 -0.496 1.00 34.33 H new ATOM 0 HE22 GLN A 29 -6.531 12.242 0.922 1.00 34.33 H new ATOM 467 N ALA A 30 -0.160 8.889 2.366 1.00 14.13 N ATOM 468 CA ALA A 30 0.662 8.374 3.456 1.00 72.22 C ATOM 469 C ALA A 30 2.153 8.321 3.099 1.00 14.25 C ATOM 470 O ALA A 30 2.994 8.842 3.843 1.00 52.32 O ATOM 471 CB ALA A 30 0.178 6.984 3.869 1.00 0.03 C ATOM 0 H ALA A 30 -0.891 8.250 2.054 1.00 14.13 H new ATOM 0 HA ALA A 30 0.554 9.068 4.290 1.00 72.22 H new ATOM 0 HB1 ALA A 30 0.799 6.610 4.683 1.00 0.03 H new ATOM 0 HB2 ALA A 30 -0.859 7.043 4.201 1.00 0.03 H new ATOM 0 HB3 ALA A 30 0.248 6.307 3.018 1.00 0.03 H new ATOM 477 N ILE A 31 2.475 7.771 1.947 1.00 22.43 N ATOM 478 CA ILE A 31 3.873 7.625 1.585 1.00 11.24 C ATOM 479 C ILE A 31 4.438 8.882 0.881 1.00 3.13 C ATOM 480 O ILE A 31 5.480 9.404 1.265 1.00 34.10 O ATOM 481 CB ILE A 31 4.117 6.336 0.720 1.00 2.44 C ATOM 482 CG1 ILE A 31 5.592 6.223 0.313 1.00 13.41 C ATOM 483 CG2 ILE A 31 3.198 6.271 -0.502 1.00 51.12 C ATOM 484 CD1 ILE A 31 5.913 5.041 -0.577 1.00 13.23 C ATOM 0 H ILE A 31 1.807 7.424 1.258 1.00 22.43 H new ATOM 0 HA ILE A 31 4.421 7.510 2.520 1.00 11.24 H new ATOM 0 HB ILE A 31 3.867 5.479 1.345 1.00 2.44 H new ATOM 0 HG12 ILE A 31 5.884 7.138 -0.202 1.00 13.41 H new ATOM 0 HG13 ILE A 31 6.200 6.157 1.215 1.00 13.41 H new ATOM 0 HG21 ILE A 31 3.406 5.362 -1.066 1.00 51.12 H new ATOM 0 HG22 ILE A 31 2.158 6.265 -0.175 1.00 51.12 H new ATOM 0 HG23 ILE A 31 3.374 7.140 -1.136 1.00 51.12 H new ATOM 0 HD11 ILE A 31 6.977 5.042 -0.814 1.00 13.23 H new ATOM 0 HD12 ILE A 31 5.657 4.116 -0.060 1.00 13.23 H new ATOM 0 HD13 ILE A 31 5.336 5.113 -1.499 1.00 13.23 H new ATOM 496 N GLN A 32 3.685 9.407 -0.066 1.00 31.33 N ATOM 497 CA GLN A 32 4.140 10.491 -0.929 1.00 63.24 C ATOM 498 C GLN A 32 4.167 11.841 -0.219 1.00 20.03 C ATOM 499 O GLN A 32 4.970 12.704 -0.545 1.00 63.13 O ATOM 500 CB GLN A 32 3.246 10.555 -2.170 1.00 63.41 C ATOM 501 CG GLN A 32 3.615 11.598 -3.202 1.00 12.14 C ATOM 502 CD GLN A 32 4.971 11.362 -3.834 1.00 64.11 C ATOM 503 OE1 GLN A 32 5.072 10.671 -4.830 1.00 54.24 O ATOM 504 NE2 GLN A 32 5.998 11.938 -3.267 1.00 21.51 N ATOM 0 H GLN A 32 2.734 9.095 -0.263 1.00 31.33 H new ATOM 0 HA GLN A 32 5.169 10.276 -1.218 1.00 63.24 H new ATOM 0 HB2 GLN A 32 3.256 9.577 -2.651 1.00 63.41 H new ATOM 0 HB3 GLN A 32 2.222 10.740 -1.846 1.00 63.41 H new ATOM 0 HG2 GLN A 32 2.855 11.611 -3.983 1.00 12.14 H new ATOM 0 HG3 GLN A 32 3.607 12.582 -2.733 1.00 12.14 H new ATOM 0 HE21 GLN A 32 5.866 12.509 -2.432 1.00 21.51 H new ATOM 0 HE22 GLN A 32 6.932 11.816 -3.659 1.00 21.51 H new ATOM 513 N ASN A 33 3.287 12.033 0.744 1.00 74.03 N ATOM 514 CA ASN A 33 3.206 13.333 1.421 1.00 4.13 C ATOM 515 C ASN A 33 4.074 13.375 2.654 1.00 73.01 C ATOM 516 O ASN A 33 4.069 14.365 3.377 1.00 61.13 O ATOM 517 CB ASN A 33 1.756 13.732 1.775 1.00 73.04 C ATOM 518 CG ASN A 33 0.871 14.103 0.576 1.00 2.15 C ATOM 519 OD1 ASN A 33 1.118 13.525 -0.575 1.00 45.40 O flip ATOM 520 ND2 ASN A 33 -0.032 14.906 0.699 1.00 70.12 N flip ATOM 0 H ASN A 33 2.628 11.330 1.077 1.00 74.03 H new ATOM 0 HA ASN A 33 3.582 14.065 0.706 1.00 4.13 H new ATOM 0 HB2 ASN A 33 1.288 12.905 2.310 1.00 73.04 H new ATOM 0 HB3 ASN A 33 1.786 14.579 2.461 1.00 73.04 H new ATOM 0 HD21 ASN A 33 -0.206 15.343 1.604 1.00 70.12 H new ATOM 0 HD22 ASN A 33 -0.616 15.143 -0.103 1.00 70.12 H new ATOM 527 N GLY A 34 4.813 12.297 2.897 1.00 5.42 N ATOM 528 CA GLY A 34 5.712 12.259 4.031 1.00 54.01 C ATOM 529 C GLY A 34 4.974 12.166 5.340 1.00 12.12 C ATOM 530 O GLY A 34 5.420 12.687 6.351 1.00 51.33 O ATOM 0 H GLY A 34 4.804 11.451 2.328 1.00 5.42 H new ATOM 0 HA2 GLY A 34 6.382 11.405 3.932 1.00 54.01 H new ATOM 0 HA3 GLY A 34 6.334 13.154 4.029 1.00 54.01 H new ATOM 534 N GLN A 35 3.854 11.467 5.324 1.00 72.33 N ATOM 535 CA GLN A 35 3.038 11.300 6.522 1.00 41.44 C ATOM 536 C GLN A 35 3.485 10.029 7.199 1.00 33.25 C ATOM 537 O GLN A 35 3.023 9.649 8.271 1.00 33.24 O ATOM 538 CB GLN A 35 1.560 11.202 6.137 1.00 41.12 C ATOM 539 CG GLN A 35 1.051 12.406 5.355 1.00 64.42 C ATOM 540 CD GLN A 35 1.110 13.698 6.153 1.00 34.55 C ATOM 541 OE1 GLN A 35 0.964 13.703 7.365 1.00 23.05 O ATOM 542 NE2 GLN A 35 1.351 14.791 5.482 1.00 75.11 N ATOM 0 H GLN A 35 3.484 11.003 4.494 1.00 72.33 H new ATOM 0 HA GLN A 35 3.156 12.152 7.192 1.00 41.44 H new ATOM 0 HB2 GLN A 35 1.408 10.302 5.541 1.00 41.12 H new ATOM 0 HB3 GLN A 35 0.964 11.090 7.043 1.00 41.12 H new ATOM 0 HG2 GLN A 35 1.642 12.519 4.446 1.00 64.42 H new ATOM 0 HG3 GLN A 35 0.022 12.223 5.045 1.00 64.42 H new ATOM 0 HE21 GLN A 35 1.468 14.753 4.469 1.00 75.11 H new ATOM 0 HE22 GLN A 35 1.422 15.684 5.970 1.00 75.11 H new ATOM 551 N THR A 36 4.348 9.353 6.517 1.00 11.23 N ATOM 552 CA THR A 36 4.920 8.177 6.935 1.00 14.14 C ATOM 553 C THR A 36 6.361 8.127 6.429 1.00 52.31 C ATOM 554 O THR A 36 6.626 8.367 5.255 1.00 2.13 O ATOM 555 CB THR A 36 4.072 7.031 6.375 1.00 35.03 C ATOM 556 OG1 THR A 36 2.855 6.979 7.080 1.00 32.34 O ATOM 557 CG2 THR A 36 4.784 5.713 6.399 1.00 23.02 C ATOM 0 H THR A 36 4.674 9.651 5.598 1.00 11.23 H new ATOM 0 HA THR A 36 4.950 8.095 8.022 1.00 14.14 H new ATOM 0 HB THR A 36 3.876 7.232 5.322 1.00 35.03 H new ATOM 0 HG1 THR A 36 2.153 7.414 6.553 1.00 32.34 H new ATOM 0 HG21 THR A 36 4.133 4.940 5.990 1.00 23.02 H new ATOM 0 HG22 THR A 36 5.691 5.779 5.798 1.00 23.02 H new ATOM 0 HG23 THR A 36 5.047 5.460 7.426 1.00 23.02 H new ATOM 565 N PHE A 37 7.266 7.870 7.334 1.00 71.31 N ATOM 566 CA PHE A 37 8.669 7.738 7.034 1.00 21.30 C ATOM 567 C PHE A 37 9.132 6.401 7.558 1.00 52.34 C ATOM 568 O PHE A 37 8.441 5.798 8.403 1.00 53.25 O ATOM 569 CB PHE A 37 9.496 8.900 7.640 1.00 60.13 C ATOM 570 CG PHE A 37 9.410 9.038 9.146 1.00 0.54 C ATOM 571 CD1 PHE A 37 8.388 9.770 9.735 1.00 44.23 C ATOM 572 CD2 PHE A 37 10.357 8.442 9.969 1.00 31.20 C ATOM 573 CE1 PHE A 37 8.310 9.901 11.107 1.00 45.13 C ATOM 574 CE2 PHE A 37 10.284 8.570 11.341 1.00 30.31 C ATOM 575 CZ PHE A 37 9.260 9.300 11.911 1.00 12.34 C ATOM 0 H PHE A 37 7.046 7.744 8.322 1.00 71.31 H new ATOM 0 HA PHE A 37 8.821 7.789 5.956 1.00 21.30 H new ATOM 0 HB2 PHE A 37 10.541 8.763 7.363 1.00 60.13 H new ATOM 0 HB3 PHE A 37 9.166 9.834 7.186 1.00 60.13 H new ATOM 0 HD1 PHE A 37 7.644 10.243 9.111 1.00 44.23 H new ATOM 0 HD2 PHE A 37 11.161 7.871 9.529 1.00 31.20 H new ATOM 0 HE1 PHE A 37 7.508 10.472 11.551 1.00 45.13 H new ATOM 0 HE2 PHE A 37 11.027 8.100 11.968 1.00 30.31 H new ATOM 0 HZ PHE A 37 9.201 9.401 12.985 1.00 12.34 H new ATOM 585 N ASP A 38 10.233 5.913 7.057 1.00 64.32 N ATOM 586 CA ASP A 38 10.749 4.630 7.504 1.00 3.43 C ATOM 587 C ASP A 38 11.784 4.871 8.585 1.00 64.14 C ATOM 588 O ASP A 38 12.322 5.973 8.687 1.00 71.11 O ATOM 589 CB ASP A 38 11.384 3.863 6.342 1.00 0.33 C ATOM 590 CG ASP A 38 11.564 2.385 6.643 1.00 13.32 C ATOM 591 OD1 ASP A 38 12.481 2.027 7.396 1.00 41.01 O ATOM 592 OD2 ASP A 38 10.733 1.575 6.164 1.00 61.23 O ATOM 0 H ASP A 38 10.795 6.375 6.342 1.00 64.32 H new ATOM 0 HA ASP A 38 9.927 4.031 7.896 1.00 3.43 H new ATOM 0 HB2 ASP A 38 10.761 3.975 5.455 1.00 0.33 H new ATOM 0 HB3 ASP A 38 12.354 4.303 6.109 1.00 0.33 H new ATOM 597 N TYR A 39 12.084 3.850 9.354 1.00 72.51 N ATOM 598 CA TYR A 39 13.040 3.933 10.442 1.00 11.43 C ATOM 599 C TYR A 39 14.455 4.114 9.883 1.00 44.10 C ATOM 600 O TYR A 39 15.316 4.710 10.519 1.00 23.33 O ATOM 601 CB TYR A 39 12.948 2.663 11.311 1.00 1.31 C ATOM 602 CG TYR A 39 13.857 2.654 12.529 1.00 41.51 C ATOM 603 CD1 TYR A 39 13.498 3.329 13.690 1.00 63.14 C ATOM 604 CD2 TYR A 39 15.068 1.967 12.518 1.00 45.42 C ATOM 605 CE1 TYR A 39 14.320 3.320 14.802 1.00 33.24 C ATOM 606 CE2 TYR A 39 15.892 1.955 13.626 1.00 50.34 C ATOM 607 CZ TYR A 39 15.514 2.632 14.765 1.00 54.41 C ATOM 608 OH TYR A 39 16.333 2.622 15.869 1.00 42.24 O ATOM 0 H TYR A 39 11.668 2.925 9.243 1.00 72.51 H new ATOM 0 HA TYR A 39 12.808 4.796 11.066 1.00 11.43 H new ATOM 0 HB2 TYR A 39 11.917 2.542 11.644 1.00 1.31 H new ATOM 0 HB3 TYR A 39 13.186 1.798 10.692 1.00 1.31 H new ATOM 0 HD1 TYR A 39 12.563 3.869 13.724 1.00 63.14 H new ATOM 0 HD2 TYR A 39 15.368 1.434 11.628 1.00 45.42 H new ATOM 0 HE1 TYR A 39 14.028 3.850 15.696 1.00 33.24 H new ATOM 0 HE2 TYR A 39 16.828 1.417 13.600 1.00 50.34 H new ATOM 0 HH TYR A 39 17.134 2.091 15.677 1.00 42.24 H new ATOM 618 N LYS A 40 14.675 3.615 8.675 1.00 13.32 N ATOM 619 CA LYS A 40 15.978 3.756 8.033 1.00 63.44 C ATOM 620 C LYS A 40 16.002 4.978 7.110 1.00 33.24 C ATOM 621 O LYS A 40 16.987 5.219 6.423 1.00 4.21 O ATOM 622 CB LYS A 40 16.330 2.476 7.251 1.00 13.10 C ATOM 623 CG LYS A 40 15.275 2.086 6.237 1.00 24.21 C ATOM 624 CD LYS A 40 15.595 0.793 5.519 1.00 75.51 C ATOM 625 CE LYS A 40 14.414 0.381 4.657 1.00 30.03 C ATOM 626 NZ LYS A 40 14.682 -0.822 3.861 1.00 20.25 N ATOM 0 H LYS A 40 13.978 3.114 8.123 1.00 13.32 H new ATOM 0 HA LYS A 40 16.729 3.906 8.809 1.00 63.44 H new ATOM 0 HB2 LYS A 40 17.281 2.621 6.738 1.00 13.10 H new ATOM 0 HB3 LYS A 40 16.469 1.655 7.955 1.00 13.10 H new ATOM 0 HG2 LYS A 40 14.314 1.987 6.741 1.00 24.21 H new ATOM 0 HG3 LYS A 40 15.170 2.886 5.504 1.00 24.21 H new ATOM 0 HD2 LYS A 40 16.483 0.920 4.900 1.00 75.51 H new ATOM 0 HD3 LYS A 40 15.820 0.010 6.243 1.00 75.51 H new ATOM 0 HE2 LYS A 40 13.549 0.203 5.296 1.00 30.03 H new ATOM 0 HE3 LYS A 40 14.154 1.202 3.989 1.00 30.03 H new ATOM 0 HZ1 LYS A 40 14.013 -0.868 3.066 1.00 20.25 H new ATOM 0 HZ2 LYS A 40 15.654 -0.786 3.494 1.00 20.25 H new ATOM 0 HZ3 LYS A 40 14.569 -1.666 4.458 1.00 20.25 H new ATOM 640 N SER A 41 14.900 5.749 7.138 1.00 63.24 N ATOM 641 CA SER A 41 14.741 6.993 6.368 1.00 1.43 C ATOM 642 C SER A 41 15.016 6.792 4.850 1.00 11.31 C ATOM 643 O SER A 41 15.400 7.736 4.147 1.00 71.34 O ATOM 644 CB SER A 41 15.657 8.089 6.973 1.00 15.32 C ATOM 645 OG SER A 41 15.448 9.351 6.360 1.00 54.33 O ATOM 0 H SER A 41 14.084 5.521 7.705 1.00 63.24 H new ATOM 0 HA SER A 41 13.701 7.311 6.442 1.00 1.43 H new ATOM 0 HB2 SER A 41 15.468 8.170 8.043 1.00 15.32 H new ATOM 0 HB3 SER A 41 16.700 7.796 6.855 1.00 15.32 H new ATOM 0 HG SER A 41 15.361 9.234 5.391 1.00 54.33 H new ATOM 651 N ASN A 42 14.740 5.596 4.350 1.00 1.31 N ATOM 652 CA ASN A 42 15.001 5.262 2.952 1.00 23.23 C ATOM 653 C ASN A 42 14.013 5.981 2.028 1.00 33.41 C ATOM 654 O ASN A 42 12.887 6.292 2.443 1.00 25.53 O ATOM 655 CB ASN A 42 14.974 3.739 2.687 1.00 41.03 C ATOM 656 CG ASN A 42 13.590 3.114 2.755 1.00 64.11 C ATOM 657 OD1 ASN A 42 12.736 3.538 3.508 1.00 73.03 O ATOM 658 ND2 ASN A 42 13.388 2.072 2.004 1.00 50.14 N ATOM 0 H ASN A 42 14.333 4.835 4.893 1.00 1.31 H new ATOM 0 HA ASN A 42 16.011 5.607 2.733 1.00 23.23 H new ATOM 0 HB2 ASN A 42 15.398 3.546 1.702 1.00 41.03 H new ATOM 0 HB3 ASN A 42 15.619 3.245 3.414 1.00 41.03 H new ATOM 0 HD21 ASN A 42 12.492 1.586 2.037 1.00 50.14 H new ATOM 0 HD22 ASN A 42 14.126 1.741 1.382 1.00 50.14 H new ATOM 665 N PRO A 43 14.459 6.351 0.809 1.00 61.42 N ATOM 666 CA PRO A 43 13.620 7.016 -0.193 1.00 13.22 C ATOM 667 C PRO A 43 12.253 6.354 -0.410 1.00 72.31 C ATOM 668 O PRO A 43 12.146 5.239 -0.929 1.00 32.12 O ATOM 669 CB PRO A 43 14.459 6.942 -1.459 1.00 10.31 C ATOM 670 CG PRO A 43 15.849 6.968 -0.960 1.00 30.53 C ATOM 671 CD PRO A 43 15.845 6.183 0.314 1.00 40.43 C ATOM 0 HA PRO A 43 13.367 8.028 0.122 1.00 13.22 H new ATOM 0 HB2 PRO A 43 14.253 6.032 -2.023 1.00 10.31 H new ATOM 0 HB3 PRO A 43 14.256 7.782 -2.123 1.00 10.31 H new ATOM 0 HG2 PRO A 43 16.533 6.529 -1.687 1.00 30.53 H new ATOM 0 HG3 PRO A 43 16.182 7.991 -0.787 1.00 30.53 H new ATOM 0 HD2 PRO A 43 16.087 5.134 0.142 1.00 40.43 H new ATOM 0 HD3 PRO A 43 16.576 6.566 1.026 1.00 40.43 H new ATOM 679 N TYR A 44 11.247 7.048 0.074 1.00 52.02 N ATOM 680 CA TYR A 44 9.838 6.708 -0.069 1.00 65.41 C ATOM 681 C TYR A 44 9.196 7.458 -1.215 1.00 13.02 C ATOM 682 O TYR A 44 8.027 7.261 -1.514 1.00 73.32 O ATOM 683 CB TYR A 44 9.047 6.942 1.214 1.00 5.02 C ATOM 684 CG TYR A 44 9.002 5.778 2.197 1.00 62.04 C ATOM 685 CD1 TYR A 44 9.701 4.586 1.980 1.00 63.55 C ATOM 686 CD2 TYR A 44 8.210 5.866 3.332 1.00 72.44 C ATOM 687 CE1 TYR A 44 9.608 3.536 2.873 1.00 21.42 C ATOM 688 CE2 TYR A 44 8.112 4.819 4.218 1.00 33.42 C ATOM 689 CZ TYR A 44 8.809 3.659 3.988 1.00 52.01 C ATOM 690 OH TYR A 44 8.696 2.611 4.884 1.00 25.01 O ATOM 0 H TYR A 44 11.390 7.907 0.605 1.00 52.02 H new ATOM 0 HA TYR A 44 9.809 5.641 -0.289 1.00 65.41 H new ATOM 0 HB2 TYR A 44 9.471 7.806 1.725 1.00 5.02 H new ATOM 0 HB3 TYR A 44 8.024 7.202 0.943 1.00 5.02 H new ATOM 0 HD1 TYR A 44 10.322 4.485 1.102 1.00 63.55 H new ATOM 0 HD2 TYR A 44 7.659 6.775 3.524 1.00 72.44 H new ATOM 0 HE1 TYR A 44 10.159 2.624 2.698 1.00 21.42 H new ATOM 0 HE2 TYR A 44 7.487 4.909 5.094 1.00 33.42 H new ATOM 0 HH TYR A 44 9.573 2.191 5.008 1.00 25.01 H new ATOM 700 N ASP A 45 9.950 8.309 -1.861 1.00 22.25 N ATOM 701 CA ASP A 45 9.376 9.176 -2.871 1.00 64.43 C ATOM 702 C ASP A 45 9.173 8.389 -4.147 1.00 74.11 C ATOM 703 O ASP A 45 10.051 7.623 -4.590 1.00 62.34 O ATOM 704 CB ASP A 45 10.271 10.386 -3.112 1.00 31.34 C ATOM 705 CG ASP A 45 9.705 11.306 -4.162 1.00 54.35 C ATOM 706 OD1 ASP A 45 8.543 11.730 -4.004 1.00 21.42 O ATOM 707 OD2 ASP A 45 10.405 11.584 -5.141 1.00 64.25 O ATOM 0 H ASP A 45 10.953 8.424 -1.712 1.00 22.25 H new ATOM 0 HA ASP A 45 8.411 9.545 -2.524 1.00 64.43 H new ATOM 0 HB2 ASP A 45 10.397 10.935 -2.179 1.00 31.34 H new ATOM 0 HB3 ASP A 45 11.261 10.049 -3.420 1.00 31.34 H new ATOM 712 N ILE A 46 7.989 8.516 -4.673 1.00 40.25 N ATOM 713 CA ILE A 46 7.508 7.708 -5.756 1.00 51.23 C ATOM 714 C ILE A 46 8.101 8.137 -7.075 1.00 21.04 C ATOM 715 O ILE A 46 7.873 9.233 -7.548 1.00 24.44 O ATOM 716 CB ILE A 46 5.963 7.753 -5.794 1.00 50.23 C ATOM 717 CG1 ILE A 46 5.420 7.226 -4.453 1.00 42.03 C ATOM 718 CG2 ILE A 46 5.407 6.946 -6.972 1.00 0.12 C ATOM 719 CD1 ILE A 46 3.934 7.366 -4.285 1.00 72.44 C ATOM 0 H ILE A 46 7.311 9.206 -4.350 1.00 40.25 H new ATOM 0 HA ILE A 46 7.826 6.679 -5.587 1.00 51.23 H new ATOM 0 HB ILE A 46 5.637 8.783 -5.939 1.00 50.23 H new ATOM 0 HG12 ILE A 46 5.686 6.174 -4.356 1.00 42.03 H new ATOM 0 HG13 ILE A 46 5.916 7.757 -3.641 1.00 42.03 H new ATOM 0 HG21 ILE A 46 4.318 6.999 -6.968 1.00 0.12 H new ATOM 0 HG22 ILE A 46 5.787 7.358 -7.907 1.00 0.12 H new ATOM 0 HG23 ILE A 46 5.720 5.906 -6.880 1.00 0.12 H new ATOM 0 HD11 ILE A 46 3.639 6.970 -3.313 1.00 72.44 H new ATOM 0 HD12 ILE A 46 3.658 8.419 -4.347 1.00 72.44 H new ATOM 0 HD13 ILE A 46 3.425 6.811 -5.073 1.00 72.44 H new ATOM 731 N SER A 47 8.814 7.232 -7.689 1.00 13.50 N ATOM 732 CA SER A 47 9.477 7.538 -8.905 1.00 54.30 C ATOM 733 C SER A 47 8.592 7.162 -10.083 1.00 71.42 C ATOM 734 O SER A 47 8.681 7.775 -11.146 1.00 34.53 O ATOM 735 CB SER A 47 10.828 6.802 -8.961 1.00 4.22 C ATOM 736 OG SER A 47 11.554 7.113 -10.137 1.00 64.24 O ATOM 0 H SER A 47 8.944 6.276 -7.357 1.00 13.50 H new ATOM 0 HA SER A 47 9.673 8.609 -8.958 1.00 54.30 H new ATOM 0 HB2 SER A 47 11.422 7.068 -8.087 1.00 4.22 H new ATOM 0 HB3 SER A 47 10.657 5.727 -8.914 1.00 4.22 H new ATOM 0 HG SER A 47 12.405 6.628 -10.134 1.00 64.24 H new ATOM 742 N VAL A 48 7.722 6.158 -9.908 1.00 42.34 N ATOM 743 CA VAL A 48 6.813 5.798 -10.979 1.00 70.12 C ATOM 744 C VAL A 48 5.438 5.464 -10.398 1.00 64.42 C ATOM 745 O VAL A 48 5.323 4.676 -9.457 1.00 72.24 O ATOM 746 CB VAL A 48 7.310 4.525 -11.762 1.00 24.44 C ATOM 747 CG1 VAL A 48 6.438 4.251 -12.978 1.00 73.30 C ATOM 748 CG2 VAL A 48 8.778 4.618 -12.176 1.00 63.52 C ATOM 0 H VAL A 48 7.636 5.601 -9.058 1.00 42.34 H new ATOM 0 HA VAL A 48 6.765 6.649 -11.658 1.00 70.12 H new ATOM 0 HB VAL A 48 7.223 3.690 -11.067 1.00 24.44 H new ATOM 0 HG11 VAL A 48 6.806 3.366 -13.498 1.00 73.30 H new ATOM 0 HG12 VAL A 48 5.410 4.082 -12.658 1.00 73.30 H new ATOM 0 HG13 VAL A 48 6.472 5.108 -13.651 1.00 73.30 H new ATOM 0 HG21 VAL A 48 9.063 3.712 -12.712 1.00 63.52 H new ATOM 0 HG22 VAL A 48 8.919 5.483 -12.824 1.00 63.52 H new ATOM 0 HG23 VAL A 48 9.400 4.725 -11.288 1.00 63.52 H new ATOM 758 N ASN A 49 4.425 6.053 -10.956 1.00 54.23 N ATOM 759 CA ASN A 49 3.041 5.724 -10.661 1.00 4.35 C ATOM 760 C ASN A 49 2.384 5.203 -11.907 1.00 15.01 C ATOM 761 O ASN A 49 2.589 5.761 -12.979 1.00 31.15 O ATOM 762 CB ASN A 49 2.256 6.931 -10.067 1.00 53.14 C ATOM 763 CG ASN A 49 0.729 6.829 -10.265 1.00 55.42 C ATOM 764 OD1 ASN A 49 0.035 6.208 -9.344 1.00 63.42 O flip ATOM 765 ND2 ASN A 49 0.188 7.316 -11.246 1.00 71.43 N flip ATOM 0 H ASN A 49 4.527 6.796 -11.648 1.00 54.23 H new ATOM 0 HA ASN A 49 3.028 4.951 -9.892 1.00 4.35 H new ATOM 0 HB2 ASN A 49 2.472 7.006 -9.001 1.00 53.14 H new ATOM 0 HB3 ASN A 49 2.614 7.851 -10.530 1.00 53.14 H new ATOM 0 HD21 ASN A 49 0.747 7.795 -11.951 1.00 71.43 H new ATOM 0 HD22 ASN A 49 -0.823 7.243 -11.360 1.00 71.43 H new ATOM 772 N LYS A 50 1.678 4.107 -11.810 1.00 23.31 N ATOM 773 CA LYS A 50 0.908 3.665 -12.928 1.00 51.22 C ATOM 774 C LYS A 50 -0.485 3.450 -12.456 1.00 53.23 C ATOM 775 O LYS A 50 -0.704 2.969 -11.330 1.00 45.54 O ATOM 776 CB LYS A 50 1.390 2.310 -13.503 1.00 64.14 C ATOM 777 CG LYS A 50 2.880 2.178 -13.803 1.00 74.43 C ATOM 778 CD LYS A 50 3.729 1.981 -12.556 1.00 15.51 C ATOM 779 CE LYS A 50 3.302 0.775 -11.746 1.00 4.31 C ATOM 780 NZ LYS A 50 3.342 -0.514 -12.493 1.00 60.54 N ATOM 0 H LYS A 50 1.624 3.517 -10.980 1.00 23.31 H new ATOM 0 HA LYS A 50 1.000 4.422 -13.706 1.00 51.22 H new ATOM 0 HB2 LYS A 50 1.115 1.525 -12.798 1.00 64.14 H new ATOM 0 HB3 LYS A 50 0.840 2.118 -14.424 1.00 64.14 H new ATOM 0 HG2 LYS A 50 3.035 1.335 -14.477 1.00 74.43 H new ATOM 0 HG3 LYS A 50 3.219 3.072 -14.327 1.00 74.43 H new ATOM 0 HD2 LYS A 50 4.774 1.868 -12.846 1.00 15.51 H new ATOM 0 HD3 LYS A 50 3.666 2.873 -11.933 1.00 15.51 H new ATOM 0 HE2 LYS A 50 3.946 0.694 -10.871 1.00 4.31 H new ATOM 0 HE3 LYS A 50 2.288 0.938 -11.381 1.00 4.31 H new ATOM 0 HZ1 LYS A 50 2.592 -1.143 -12.141 1.00 60.54 H new ATOM 0 HZ2 LYS A 50 3.194 -0.333 -13.506 1.00 60.54 H new ATOM 0 HZ3 LYS A 50 4.268 -0.967 -12.354 1.00 60.54 H new ATOM 794 N ASN A 51 -1.410 3.782 -13.277 1.00 41.00 N ATOM 795 CA ASN A 51 -2.766 3.457 -13.023 1.00 13.23 C ATOM 796 C ASN A 51 -3.145 2.407 -14.021 1.00 31.50 C ATOM 797 O ASN A 51 -3.027 2.632 -15.220 1.00 31.02 O ATOM 798 CB ASN A 51 -3.687 4.686 -13.102 1.00 11.21 C ATOM 799 CG ASN A 51 -3.400 5.724 -12.017 1.00 31.53 C ATOM 800 OD1 ASN A 51 -2.991 5.395 -10.903 1.00 72.05 O ATOM 801 ND2 ASN A 51 -3.605 6.977 -12.333 1.00 4.20 N ATOM 0 H ASN A 51 -1.250 4.289 -14.148 1.00 41.00 H new ATOM 0 HA ASN A 51 -2.885 3.086 -12.005 1.00 13.23 H new ATOM 0 HB2 ASN A 51 -3.576 5.153 -14.081 1.00 11.21 H new ATOM 0 HB3 ASN A 51 -4.724 4.361 -13.020 1.00 11.21 H new ATOM 0 HD21 ASN A 51 -3.426 7.712 -11.648 1.00 4.20 H new ATOM 0 HD22 ASN A 51 -3.944 7.219 -13.264 1.00 4.20 H new ATOM 808 N ASN A 52 -3.601 1.291 -13.558 1.00 53.22 N ATOM 809 CA ASN A 52 -3.892 0.162 -14.431 1.00 73.00 C ATOM 810 C ASN A 52 -5.393 0.079 -14.691 1.00 52.14 C ATOM 811 O ASN A 52 -5.909 -0.907 -15.213 1.00 33.00 O ATOM 812 CB ASN A 52 -3.372 -1.146 -13.803 1.00 72.33 C ATOM 813 CG ASN A 52 -1.860 -1.145 -13.516 1.00 72.22 C ATOM 814 OD1 ASN A 52 -1.060 -0.512 -14.218 1.00 24.42 O ATOM 815 ND2 ASN A 52 -1.468 -1.828 -12.469 1.00 21.35 N ATOM 0 H ASN A 52 -3.788 1.119 -12.570 1.00 53.22 H new ATOM 0 HA ASN A 52 -3.383 0.308 -15.384 1.00 73.00 H new ATOM 0 HB2 ASN A 52 -3.908 -1.328 -12.872 1.00 72.33 H new ATOM 0 HB3 ASN A 52 -3.604 -1.975 -14.471 1.00 72.33 H new ATOM 0 HD21 ASN A 52 -0.481 -1.848 -12.213 1.00 21.35 H new ATOM 0 HD22 ASN A 52 -2.150 -2.340 -11.909 1.00 21.35 H new ATOM 822 N GLY A 53 -6.099 1.121 -14.289 1.00 32.53 N ATOM 823 CA GLY A 53 -7.522 1.222 -14.548 1.00 44.32 C ATOM 824 C GLY A 53 -8.352 0.603 -13.454 1.00 52.44 C ATOM 825 O GLY A 53 -9.129 1.276 -12.796 1.00 62.42 O ATOM 0 H GLY A 53 -5.706 1.912 -13.779 1.00 32.53 H new ATOM 0 HA2 GLY A 53 -7.795 2.272 -14.657 1.00 44.32 H new ATOM 0 HA3 GLY A 53 -7.751 0.733 -15.495 1.00 44.32 H new ATOM 829 N THR A 54 -8.176 -0.670 -13.255 1.00 21.14 N ATOM 830 CA THR A 54 -8.908 -1.385 -12.237 1.00 41.30 C ATOM 831 C THR A 54 -8.024 -1.585 -11.016 1.00 14.32 C ATOM 832 O THR A 54 -8.373 -2.332 -10.069 1.00 74.44 O ATOM 833 CB THR A 54 -9.451 -2.747 -12.778 1.00 75.22 C ATOM 834 OG1 THR A 54 -10.166 -3.445 -11.743 1.00 50.53 O ATOM 835 CG2 THR A 54 -8.323 -3.634 -13.304 1.00 41.23 C ATOM 0 H THR A 54 -7.525 -1.245 -13.789 1.00 21.14 H new ATOM 0 HA THR A 54 -9.775 -0.791 -11.946 1.00 41.30 H new ATOM 0 HB THR A 54 -10.125 -2.525 -13.605 1.00 75.22 H new ATOM 0 HG1 THR A 54 -9.712 -3.311 -10.885 1.00 50.53 H new ATOM 0 HG21 THR A 54 -8.739 -4.572 -13.672 1.00 41.23 H new ATOM 0 HG22 THR A 54 -7.807 -3.123 -14.117 1.00 41.23 H new ATOM 0 HG23 THR A 54 -7.617 -3.841 -12.499 1.00 41.23 H new ATOM 843 N ASP A 55 -6.901 -0.934 -11.046 1.00 1.50 N ATOM 844 CA ASP A 55 -5.946 -0.949 -9.988 1.00 52.22 C ATOM 845 C ASP A 55 -4.943 0.131 -10.203 1.00 52.44 C ATOM 846 O ASP A 55 -4.885 0.710 -11.286 1.00 63.04 O ATOM 847 CB ASP A 55 -5.293 -2.325 -9.786 1.00 60.42 C ATOM 848 CG ASP A 55 -4.627 -2.925 -10.975 1.00 70.44 C ATOM 849 OD1 ASP A 55 -5.337 -3.577 -11.774 1.00 41.31 O ATOM 850 OD2 ASP A 55 -3.414 -2.925 -11.045 1.00 51.31 O ATOM 0 H ASP A 55 -6.617 -0.358 -11.838 1.00 1.50 H new ATOM 0 HA ASP A 55 -6.475 -0.751 -9.056 1.00 52.22 H new ATOM 0 HB2 ASP A 55 -4.555 -2.239 -8.989 1.00 60.42 H new ATOM 0 HB3 ASP A 55 -6.059 -3.018 -9.438 1.00 60.42 H new ATOM 855 N ALA A 56 -4.211 0.450 -9.189 1.00 74.03 N ATOM 856 CA ALA A 56 -3.199 1.467 -9.260 1.00 11.00 C ATOM 857 C ALA A 56 -2.003 0.999 -8.476 1.00 54.24 C ATOM 858 O ALA A 56 -2.157 0.359 -7.426 1.00 64.42 O ATOM 859 CB ALA A 56 -3.726 2.792 -8.728 1.00 33.43 C ATOM 0 H ALA A 56 -4.295 0.010 -8.273 1.00 74.03 H new ATOM 0 HA ALA A 56 -2.910 1.634 -10.298 1.00 11.00 H new ATOM 0 HB1 ALA A 56 -2.942 3.547 -8.792 1.00 33.43 H new ATOM 0 HB2 ALA A 56 -4.583 3.108 -9.323 1.00 33.43 H new ATOM 0 HB3 ALA A 56 -4.030 2.671 -7.688 1.00 33.43 H new ATOM 865 N GLU A 57 -0.837 1.302 -8.962 1.00 3.21 N ATOM 866 CA GLU A 57 0.378 0.812 -8.367 1.00 25.51 C ATOM 867 C GLU A 57 1.426 1.923 -8.337 1.00 53.42 C ATOM 868 O GLU A 57 1.654 2.613 -9.350 1.00 33.20 O ATOM 869 CB GLU A 57 0.883 -0.349 -9.215 1.00 4.04 C ATOM 870 CG GLU A 57 2.110 -1.072 -8.686 1.00 51.11 C ATOM 871 CD GLU A 57 2.833 -1.787 -9.797 1.00 61.14 C ATOM 872 OE1 GLU A 57 2.192 -2.213 -10.776 1.00 4.32 O ATOM 873 OE2 GLU A 57 4.068 -1.766 -9.810 1.00 14.13 O ATOM 0 H GLU A 57 -0.697 1.894 -9.780 1.00 3.21 H new ATOM 0 HA GLU A 57 0.192 0.483 -7.345 1.00 25.51 H new ATOM 0 HB2 GLU A 57 0.076 -1.074 -9.322 1.00 4.04 H new ATOM 0 HB3 GLU A 57 1.108 0.026 -10.213 1.00 4.04 H new ATOM 0 HG2 GLU A 57 2.782 -0.357 -8.211 1.00 51.11 H new ATOM 0 HG3 GLU A 57 1.813 -1.788 -7.920 1.00 51.11 H new ATOM 880 N ILE A 58 2.045 2.111 -7.200 1.00 32.20 N ATOM 881 CA ILE A 58 3.077 3.081 -7.041 1.00 4.32 C ATOM 882 C ILE A 58 4.389 2.423 -6.707 1.00 32.12 C ATOM 883 O ILE A 58 4.452 1.540 -5.837 1.00 52.25 O ATOM 884 CB ILE A 58 2.761 4.201 -6.011 1.00 12.34 C ATOM 885 CG1 ILE A 58 2.031 3.708 -4.729 1.00 50.30 C ATOM 886 CG2 ILE A 58 2.016 5.347 -6.668 1.00 33.45 C ATOM 887 CD1 ILE A 58 0.525 3.548 -4.882 1.00 63.11 C ATOM 0 H ILE A 58 1.838 1.583 -6.352 1.00 32.20 H new ATOM 0 HA ILE A 58 3.147 3.578 -8.009 1.00 4.32 H new ATOM 0 HB ILE A 58 3.729 4.562 -5.663 1.00 12.34 H new ATOM 0 HG12 ILE A 58 2.457 2.750 -4.429 1.00 50.30 H new ATOM 0 HG13 ILE A 58 2.229 4.412 -3.920 1.00 50.30 H new ATOM 0 HG21 ILE A 58 1.807 6.118 -5.926 1.00 33.45 H new ATOM 0 HG22 ILE A 58 2.627 5.768 -7.466 1.00 33.45 H new ATOM 0 HG23 ILE A 58 1.078 4.980 -7.084 1.00 33.45 H new ATOM 0 HD11 ILE A 58 0.098 3.201 -3.941 1.00 63.11 H new ATOM 0 HD12 ILE A 58 0.082 4.508 -5.149 1.00 63.11 H new ATOM 0 HD13 ILE A 58 0.314 2.821 -5.666 1.00 63.11 H new ATOM 899 N VAL A 59 5.422 2.826 -7.418 1.00 33.41 N ATOM 900 CA VAL A 59 6.737 2.282 -7.240 1.00 54.54 C ATOM 901 C VAL A 59 7.697 3.379 -6.801 1.00 32.15 C ATOM 902 O VAL A 59 7.867 4.409 -7.488 1.00 74.43 O ATOM 903 CB VAL A 59 7.280 1.641 -8.553 1.00 74.22 C ATOM 904 CG1 VAL A 59 8.647 0.997 -8.331 1.00 5.30 C ATOM 905 CG2 VAL A 59 6.300 0.623 -9.110 1.00 24.40 C ATOM 0 H VAL A 59 5.364 3.546 -8.139 1.00 33.41 H new ATOM 0 HA VAL A 59 6.667 1.507 -6.477 1.00 54.54 H new ATOM 0 HB VAL A 59 7.396 2.442 -9.283 1.00 74.22 H new ATOM 0 HG11 VAL A 59 8.999 0.559 -9.265 1.00 5.30 H new ATOM 0 HG12 VAL A 59 9.356 1.754 -7.996 1.00 5.30 H new ATOM 0 HG13 VAL A 59 8.563 0.218 -7.573 1.00 5.30 H new ATOM 0 HG21 VAL A 59 6.704 0.192 -10.026 1.00 24.40 H new ATOM 0 HG22 VAL A 59 6.140 -0.167 -8.377 1.00 24.40 H new ATOM 0 HG23 VAL A 59 5.351 1.113 -9.328 1.00 24.40 H new ATOM 915 N SER A 60 8.281 3.180 -5.676 1.00 64.10 N ATOM 916 CA SER A 60 9.290 4.032 -5.176 1.00 23.03 C ATOM 917 C SER A 60 10.566 3.232 -5.168 1.00 23.42 C ATOM 918 O SER A 60 10.547 2.025 -4.921 1.00 31.32 O ATOM 919 CB SER A 60 8.945 4.538 -3.768 1.00 24.13 C ATOM 920 OG SER A 60 9.992 5.318 -3.248 1.00 45.42 O ATOM 0 H SER A 60 8.062 2.396 -5.062 1.00 64.10 H new ATOM 0 HA SER A 60 9.391 4.919 -5.802 1.00 23.03 H new ATOM 0 HB2 SER A 60 8.029 5.128 -3.803 1.00 24.13 H new ATOM 0 HB3 SER A 60 8.754 3.691 -3.109 1.00 24.13 H new ATOM 0 HG SER A 60 10.127 6.105 -3.817 1.00 45.42 H new ATOM 926 N ALA A 61 11.650 3.856 -5.451 1.00 13.02 N ATOM 927 CA ALA A 61 12.882 3.150 -5.496 1.00 70.04 C ATOM 928 C ALA A 61 13.743 3.596 -4.373 1.00 43.31 C ATOM 929 O ALA A 61 13.837 4.784 -4.082 1.00 72.32 O ATOM 930 CB ALA A 61 13.577 3.309 -6.834 1.00 11.40 C ATOM 0 H ALA A 61 11.712 4.853 -5.655 1.00 13.02 H new ATOM 0 HA ALA A 61 12.680 2.085 -5.385 1.00 70.04 H new ATOM 0 HB1 ALA A 61 14.515 2.753 -6.825 1.00 11.40 H new ATOM 0 HB2 ALA A 61 12.934 2.924 -7.626 1.00 11.40 H new ATOM 0 HB3 ALA A 61 13.782 4.364 -7.014 1.00 11.40 H new ATOM 936 N SER A 62 14.342 2.663 -3.741 1.00 21.44 N ATOM 937 CA SER A 62 15.158 2.918 -2.628 1.00 43.53 C ATOM 938 C SER A 62 16.618 2.728 -3.026 1.00 2.44 C ATOM 939 O SER A 62 17.071 1.619 -3.200 1.00 15.24 O ATOM 940 CB SER A 62 14.734 1.944 -1.532 1.00 73.14 C ATOM 941 OG SER A 62 13.355 2.137 -1.198 1.00 42.33 O ATOM 0 H SER A 62 14.275 1.677 -3.992 1.00 21.44 H new ATOM 0 HA SER A 62 15.052 3.940 -2.264 1.00 43.53 H new ATOM 0 HB2 SER A 62 14.894 0.919 -1.866 1.00 73.14 H new ATOM 0 HB3 SER A 62 15.353 2.091 -0.647 1.00 73.14 H new ATOM 0 HG SER A 62 13.163 3.096 -1.141 1.00 42.33 H new ATOM 947 N ASP A 63 17.326 3.828 -3.208 1.00 42.35 N ATOM 948 CA ASP A 63 18.759 3.797 -3.580 1.00 43.22 C ATOM 949 C ASP A 63 19.591 3.326 -2.416 1.00 3.43 C ATOM 950 O ASP A 63 20.636 2.698 -2.586 1.00 13.10 O ATOM 951 CB ASP A 63 19.244 5.185 -4.018 1.00 35.12 C ATOM 952 CG ASP A 63 18.949 6.246 -2.978 1.00 2.23 C ATOM 953 OD1 ASP A 63 19.671 6.329 -1.956 1.00 32.34 O ATOM 954 OD2 ASP A 63 17.953 6.949 -3.150 1.00 11.02 O ATOM 0 H ASP A 63 16.943 4.768 -3.107 1.00 42.35 H new ATOM 0 HA ASP A 63 18.871 3.105 -4.414 1.00 43.22 H new ATOM 0 HB2 ASP A 63 20.317 5.151 -4.206 1.00 35.12 H new ATOM 0 HB3 ASP A 63 18.764 5.456 -4.958 1.00 35.12 H new ATOM 959 N SER A 64 19.101 3.607 -1.235 1.00 23.21 N ATOM 960 CA SER A 64 19.765 3.251 -0.027 1.00 24.12 C ATOM 961 C SER A 64 19.571 1.755 0.239 1.00 70.32 C ATOM 962 O SER A 64 20.290 1.137 1.030 1.00 34.14 O ATOM 963 CB SER A 64 19.178 4.091 1.090 1.00 41.21 C ATOM 964 OG SER A 64 19.128 5.470 0.702 1.00 22.34 O ATOM 0 H SER A 64 18.217 4.096 -1.094 1.00 23.21 H new ATOM 0 HA SER A 64 20.836 3.439 -0.095 1.00 24.12 H new ATOM 0 HB2 SER A 64 18.176 3.738 1.332 1.00 41.21 H new ATOM 0 HB3 SER A 64 19.781 3.982 1.992 1.00 41.21 H new ATOM 0 HG SER A 64 19.485 5.568 -0.206 1.00 22.34 H new ATOM 970 N ASP A 65 18.624 1.171 -0.467 1.00 25.14 N ATOM 971 CA ASP A 65 18.344 -0.223 -0.336 1.00 42.35 C ATOM 972 C ASP A 65 18.836 -0.961 -1.515 1.00 30.12 C ATOM 973 O ASP A 65 18.173 -1.054 -2.531 1.00 23.25 O ATOM 974 CB ASP A 65 16.867 -0.548 -0.130 1.00 11.11 C ATOM 975 CG ASP A 65 16.368 -0.237 1.240 1.00 44.54 C ATOM 976 OD1 ASP A 65 16.619 -1.029 2.163 1.00 64.43 O ATOM 977 OD2 ASP A 65 15.688 0.777 1.420 1.00 34.10 O ATOM 0 H ASP A 65 18.035 1.658 -1.143 1.00 25.14 H new ATOM 0 HA ASP A 65 18.867 -0.537 0.567 1.00 42.35 H new ATOM 0 HB2 ASP A 65 16.277 0.010 -0.857 1.00 11.11 H new ATOM 0 HB3 ASP A 65 16.706 -1.607 -0.334 1.00 11.11 H new ATOM 982 N SER A 66 20.004 -1.491 -1.382 1.00 12.22 N ATOM 983 CA SER A 66 20.578 -2.354 -2.383 1.00 14.54 C ATOM 984 C SER A 66 19.749 -3.648 -2.474 1.00 43.14 C ATOM 985 O SER A 66 19.872 -4.413 -3.426 1.00 21.21 O ATOM 986 CB SER A 66 22.046 -2.664 -2.035 1.00 31.51 C ATOM 987 OG SER A 66 22.659 -3.488 -3.011 1.00 11.30 O ATOM 0 H SER A 66 20.602 -1.342 -0.569 1.00 12.22 H new ATOM 0 HA SER A 66 20.560 -1.856 -3.352 1.00 14.54 H new ATOM 0 HB2 SER A 66 22.603 -1.731 -1.946 1.00 31.51 H new ATOM 0 HB3 SER A 66 22.092 -3.156 -1.064 1.00 31.51 H new ATOM 0 HG SER A 66 23.589 -3.661 -2.756 1.00 11.30 H new ATOM 993 N THR A 67 18.942 -3.882 -1.451 1.00 61.10 N ATOM 994 CA THR A 67 18.185 -5.077 -1.332 1.00 3.33 C ATOM 995 C THR A 67 16.820 -5.029 -2.061 1.00 32.02 C ATOM 996 O THR A 67 16.277 -6.105 -2.315 1.00 44.04 O ATOM 997 CB THR A 67 17.973 -5.423 0.183 1.00 62.22 C ATOM 998 OG1 THR A 67 17.249 -6.640 0.346 1.00 75.41 O ATOM 999 CG2 THR A 67 17.236 -4.303 0.915 1.00 21.35 C ATOM 0 H THR A 67 18.806 -3.227 -0.681 1.00 61.10 H new ATOM 0 HA THR A 67 18.764 -5.858 -1.825 1.00 3.33 H new ATOM 0 HB THR A 67 18.967 -5.539 0.616 1.00 62.22 H new ATOM 0 HG1 THR A 67 16.731 -6.604 1.177 1.00 75.41 H new ATOM 0 HG21 THR A 67 17.106 -4.576 1.962 1.00 21.35 H new ATOM 0 HG22 THR A 67 17.816 -3.382 0.849 1.00 21.35 H new ATOM 0 HG23 THR A 67 16.259 -4.150 0.456 1.00 21.35 H new ATOM 1007 N ASP A 68 16.283 -3.814 -2.445 1.00 41.54 N ATOM 1008 CA ASP A 68 14.934 -3.763 -3.109 1.00 62.32 C ATOM 1009 C ASP A 68 14.424 -2.317 -3.327 1.00 53.33 C ATOM 1010 O ASP A 68 15.176 -1.353 -3.246 1.00 40.15 O ATOM 1011 CB ASP A 68 13.888 -4.469 -2.249 1.00 35.32 C ATOM 1012 CG ASP A 68 12.878 -5.239 -3.090 1.00 35.34 C ATOM 1013 OD1 ASP A 68 11.939 -4.632 -3.657 1.00 71.21 O ATOM 1014 OD2 ASP A 68 12.992 -6.478 -3.188 1.00 2.05 O ATOM 0 H ASP A 68 16.737 -2.910 -2.314 1.00 41.54 H new ATOM 0 HA ASP A 68 15.065 -4.252 -4.074 1.00 62.32 H new ATOM 0 HB2 ASP A 68 14.386 -5.155 -1.564 1.00 35.32 H new ATOM 0 HB3 ASP A 68 13.365 -3.733 -1.639 1.00 35.32 H new ATOM 1019 N SER A 69 13.117 -2.211 -3.582 1.00 42.13 N ATOM 1020 CA SER A 69 12.397 -0.989 -3.830 1.00 63.10 C ATOM 1021 C SER A 69 10.989 -1.091 -3.176 1.00 21.30 C ATOM 1022 O SER A 69 10.557 -2.184 -2.799 1.00 13.22 O ATOM 1023 CB SER A 69 12.293 -0.781 -5.346 1.00 35.31 C ATOM 1024 OG SER A 69 11.825 -1.961 -5.992 1.00 52.23 O ATOM 0 H SER A 69 12.511 -3.031 -3.620 1.00 42.13 H new ATOM 0 HA SER A 69 12.916 -0.134 -3.396 1.00 63.10 H new ATOM 0 HB2 SER A 69 11.616 0.047 -5.558 1.00 35.31 H new ATOM 0 HB3 SER A 69 13.268 -0.505 -5.747 1.00 35.31 H new ATOM 0 HG SER A 69 11.765 -1.804 -6.957 1.00 52.23 H new ATOM 1030 N LEU A 70 10.302 0.017 -3.010 1.00 52.02 N ATOM 1031 CA LEU A 70 8.986 -0.004 -2.403 1.00 10.45 C ATOM 1032 C LEU A 70 7.929 -0.033 -3.510 1.00 72.44 C ATOM 1033 O LEU A 70 7.774 0.927 -4.260 1.00 45.32 O ATOM 1034 CB LEU A 70 8.814 1.227 -1.451 1.00 2.34 C ATOM 1035 CG LEU A 70 7.523 1.342 -0.567 1.00 41.40 C ATOM 1036 CD1 LEU A 70 6.259 1.602 -1.382 1.00 52.50 C ATOM 1037 CD2 LEU A 70 7.353 0.106 0.310 1.00 72.31 C ATOM 0 H LEU A 70 10.630 0.943 -3.285 1.00 52.02 H new ATOM 0 HA LEU A 70 8.863 -0.898 -1.792 1.00 10.45 H new ATOM 0 HB2 LEU A 70 9.673 1.244 -0.780 1.00 2.34 H new ATOM 0 HB3 LEU A 70 8.871 2.126 -2.065 1.00 2.34 H new ATOM 0 HG LEU A 70 7.666 2.214 0.071 1.00 41.40 H new ATOM 0 HD11 LEU A 70 5.402 1.671 -0.712 1.00 52.50 H new ATOM 0 HD12 LEU A 70 6.366 2.537 -1.932 1.00 52.50 H new ATOM 0 HD13 LEU A 70 6.105 0.784 -2.085 1.00 52.50 H new ATOM 0 HD21 LEU A 70 6.451 0.209 0.914 1.00 72.31 H new ATOM 0 HD22 LEU A 70 7.268 -0.779 -0.321 1.00 72.31 H new ATOM 0 HD23 LEU A 70 8.218 0.003 0.965 1.00 72.31 H new ATOM 1049 N GLN A 71 7.223 -1.127 -3.607 1.00 11.25 N ATOM 1050 CA GLN A 71 6.181 -1.291 -4.598 1.00 43.14 C ATOM 1051 C GLN A 71 4.878 -1.712 -3.907 1.00 51.12 C ATOM 1052 O GLN A 71 4.858 -2.684 -3.131 1.00 53.14 O ATOM 1053 CB GLN A 71 6.628 -2.328 -5.640 1.00 45.11 C ATOM 1054 CG GLN A 71 5.613 -2.650 -6.724 1.00 22.35 C ATOM 1055 CD GLN A 71 6.107 -3.740 -7.663 1.00 34.41 C ATOM 1056 OE1 GLN A 71 6.868 -4.630 -7.272 1.00 55.00 O ATOM 1057 NE2 GLN A 71 5.697 -3.680 -8.898 1.00 33.52 N ATOM 0 H GLN A 71 7.351 -1.937 -3.000 1.00 11.25 H new ATOM 0 HA GLN A 71 5.999 -0.348 -5.114 1.00 43.14 H new ATOM 0 HB2 GLN A 71 7.540 -1.968 -6.117 1.00 45.11 H new ATOM 0 HB3 GLN A 71 6.883 -3.252 -5.121 1.00 45.11 H new ATOM 0 HG2 GLN A 71 4.678 -2.966 -6.262 1.00 22.35 H new ATOM 0 HG3 GLN A 71 5.397 -1.748 -7.297 1.00 22.35 H new ATOM 0 HE21 GLN A 71 5.068 -2.932 -9.191 1.00 33.52 H new ATOM 0 HE22 GLN A 71 6.005 -4.381 -9.572 1.00 33.52 H new ATOM 1066 N VAL A 72 3.820 -0.951 -4.136 1.00 44.11 N ATOM 1067 CA VAL A 72 2.509 -1.226 -3.548 1.00 1.40 C ATOM 1068 C VAL A 72 1.437 -1.171 -4.630 1.00 34.44 C ATOM 1069 O VAL A 72 1.312 -0.160 -5.337 1.00 31.20 O ATOM 1070 CB VAL A 72 2.142 -0.205 -2.411 1.00 71.43 C ATOM 1071 CG1 VAL A 72 0.729 -0.448 -1.881 1.00 33.24 C ATOM 1072 CG2 VAL A 72 3.138 -0.281 -1.264 1.00 41.22 C ATOM 0 H VAL A 72 3.841 -0.125 -4.734 1.00 44.11 H new ATOM 0 HA VAL A 72 2.555 -2.221 -3.106 1.00 1.40 H new ATOM 0 HB VAL A 72 2.184 0.792 -2.849 1.00 71.43 H new ATOM 0 HG11 VAL A 72 0.506 0.274 -1.096 1.00 33.24 H new ATOM 0 HG12 VAL A 72 0.011 -0.335 -2.693 1.00 33.24 H new ATOM 0 HG13 VAL A 72 0.661 -1.457 -1.475 1.00 33.24 H new ATOM 0 HG21 VAL A 72 2.859 0.436 -0.492 1.00 41.22 H new ATOM 0 HG22 VAL A 72 3.133 -1.287 -0.844 1.00 41.22 H new ATOM 0 HG23 VAL A 72 4.137 -0.047 -1.633 1.00 41.22 H new ATOM 1082 N ALA A 73 0.684 -2.244 -4.760 1.00 23.41 N ATOM 1083 CA ALA A 73 -0.392 -2.320 -5.723 1.00 3.40 C ATOM 1084 C ALA A 73 -1.729 -2.383 -5.011 1.00 44.35 C ATOM 1085 O ALA A 73 -1.900 -3.125 -4.043 1.00 51.12 O ATOM 1086 CB ALA A 73 -0.212 -3.518 -6.645 1.00 21.22 C ATOM 0 H ALA A 73 0.802 -3.088 -4.200 1.00 23.41 H new ATOM 0 HA ALA A 73 -0.369 -1.420 -6.338 1.00 3.40 H new ATOM 0 HB1 ALA A 73 -1.034 -3.553 -7.360 1.00 21.22 H new ATOM 0 HB2 ALA A 73 0.732 -3.426 -7.182 1.00 21.22 H new ATOM 0 HB3 ALA A 73 -0.205 -4.434 -6.054 1.00 21.22 H new ATOM 1092 N MET A 74 -2.652 -1.598 -5.478 1.00 41.15 N ATOM 1093 CA MET A 74 -3.983 -1.512 -4.917 1.00 3.13 C ATOM 1094 C MET A 74 -4.953 -1.982 -5.978 1.00 52.33 C ATOM 1095 O MET A 74 -5.000 -1.392 -7.034 1.00 15.12 O ATOM 1096 CB MET A 74 -4.281 -0.052 -4.573 1.00 63.40 C ATOM 1097 CG MET A 74 -3.307 0.577 -3.589 1.00 42.12 C ATOM 1098 SD MET A 74 -3.559 2.350 -3.387 1.00 53.22 S ATOM 1099 CE MET A 74 -3.039 2.951 -4.988 1.00 73.21 C ATOM 0 H MET A 74 -2.506 -0.982 -6.278 1.00 41.15 H new ATOM 0 HA MET A 74 -4.070 -2.121 -4.017 1.00 3.13 H new ATOM 0 HB2 MET A 74 -4.276 0.533 -5.493 1.00 63.40 H new ATOM 0 HB3 MET A 74 -5.287 0.012 -4.159 1.00 63.40 H new ATOM 0 HG2 MET A 74 -3.411 0.088 -2.620 1.00 42.12 H new ATOM 0 HG3 MET A 74 -2.287 0.397 -3.930 1.00 42.12 H new ATOM 0 HE1 MET A 74 -2.250 3.692 -4.860 1.00 73.21 H new ATOM 0 HE2 MET A 74 -2.663 2.120 -5.584 1.00 73.21 H new ATOM 0 HE3 MET A 74 -3.887 3.408 -5.498 1.00 73.21 H new ATOM 1109 N LYS A 75 -5.749 -2.990 -5.683 1.00 5.22 N ATOM 1110 CA LYS A 75 -6.618 -3.623 -6.669 1.00 73.43 C ATOM 1111 C LYS A 75 -8.083 -3.393 -6.297 1.00 70.53 C ATOM 1112 O LYS A 75 -8.494 -3.668 -5.169 1.00 12.32 O ATOM 1113 CB LYS A 75 -6.311 -5.142 -6.677 1.00 53.04 C ATOM 1114 CG LYS A 75 -7.096 -5.998 -7.685 1.00 23.02 C ATOM 1115 CD LYS A 75 -6.686 -5.757 -9.142 1.00 40.42 C ATOM 1116 CE LYS A 75 -5.210 -6.105 -9.399 1.00 42.23 C ATOM 1117 NZ LYS A 75 -4.828 -5.950 -10.834 1.00 22.41 N ATOM 0 H LYS A 75 -5.816 -3.399 -4.751 1.00 5.22 H new ATOM 0 HA LYS A 75 -6.440 -3.196 -7.656 1.00 73.43 H new ATOM 0 HB2 LYS A 75 -5.247 -5.273 -6.874 1.00 53.04 H new ATOM 0 HB3 LYS A 75 -6.501 -5.533 -5.677 1.00 53.04 H new ATOM 0 HG2 LYS A 75 -6.952 -7.051 -7.445 1.00 23.02 H new ATOM 0 HG3 LYS A 75 -8.160 -5.789 -7.576 1.00 23.02 H new ATOM 0 HD2 LYS A 75 -7.318 -6.356 -9.798 1.00 40.42 H new ATOM 0 HD3 LYS A 75 -6.860 -4.712 -9.398 1.00 40.42 H new ATOM 0 HE2 LYS A 75 -4.577 -5.463 -8.786 1.00 42.23 H new ATOM 0 HE3 LYS A 75 -5.022 -7.132 -9.085 1.00 42.23 H new ATOM 0 HZ1 LYS A 75 -3.823 -5.692 -10.900 1.00 22.41 H new ATOM 0 HZ2 LYS A 75 -4.988 -6.847 -11.335 1.00 22.41 H new ATOM 0 HZ3 LYS A 75 -5.406 -5.203 -11.268 1.00 22.41 H new ATOM 1131 N LYS A 76 -8.865 -2.923 -7.261 1.00 24.24 N ATOM 1132 CA LYS A 76 -10.237 -2.571 -7.043 1.00 62.43 C ATOM 1133 C LYS A 76 -11.110 -3.818 -7.081 1.00 42.13 C ATOM 1134 O LYS A 76 -11.241 -4.458 -8.143 1.00 44.22 O ATOM 1135 CB LYS A 76 -10.693 -1.678 -8.185 1.00 21.35 C ATOM 1136 CG LYS A 76 -12.076 -1.108 -8.015 1.00 1.14 C ATOM 1137 CD LYS A 76 -12.732 -0.829 -9.351 1.00 54.42 C ATOM 1138 CE LYS A 76 -13.359 -2.097 -9.939 1.00 22.03 C ATOM 1139 NZ LYS A 76 -12.392 -3.178 -10.294 1.00 74.04 N ATOM 0 H LYS A 76 -8.549 -2.779 -8.220 1.00 24.24 H new ATOM 0 HA LYS A 76 -10.324 -2.075 -6.077 1.00 62.43 H new ATOM 0 HB2 LYS A 76 -9.985 -0.856 -8.292 1.00 21.35 H new ATOM 0 HB3 LYS A 76 -10.660 -2.250 -9.112 1.00 21.35 H new ATOM 0 HG2 LYS A 76 -12.690 -1.806 -7.446 1.00 1.14 H new ATOM 0 HG3 LYS A 76 -12.022 -0.186 -7.436 1.00 1.14 H new ATOM 0 HD2 LYS A 76 -13.499 -0.064 -9.229 1.00 54.42 H new ATOM 0 HD3 LYS A 76 -11.992 -0.431 -10.046 1.00 54.42 H new ATOM 0 HE2 LYS A 76 -14.077 -2.495 -9.221 1.00 22.03 H new ATOM 0 HE3 LYS A 76 -13.920 -1.825 -10.833 1.00 22.03 H new ATOM 0 HZ1 LYS A 76 -12.856 -3.867 -10.920 1.00 74.04 H new ATOM 0 HZ2 LYS A 76 -11.572 -2.764 -10.782 1.00 74.04 H new ATOM 0 HZ3 LYS A 76 -12.073 -3.657 -9.428 1.00 74.04 H new ATOM 1153 N LEU A 77 -11.727 -4.127 -5.989 1.00 62.03 N ATOM 1154 CA LEU A 77 -12.633 -5.249 -5.914 1.00 33.23 C ATOM 1155 C LEU A 77 -14.043 -4.683 -6.206 1.00 61.54 C ATOM 1156 O LEU A 77 -14.352 -3.564 -5.787 1.00 42.32 O ATOM 1157 CB LEU A 77 -12.556 -5.885 -4.500 1.00 43.12 C ATOM 1158 CG LEU A 77 -13.202 -7.270 -4.306 1.00 64.24 C ATOM 1159 CD1 LEU A 77 -12.464 -8.330 -5.117 1.00 53.44 C ATOM 1160 CD2 LEU A 77 -13.213 -7.660 -2.834 1.00 73.32 C ATOM 0 H LEU A 77 -11.624 -3.613 -5.114 1.00 62.03 H new ATOM 0 HA LEU A 77 -12.383 -6.032 -6.630 1.00 33.23 H new ATOM 0 HB2 LEU A 77 -11.505 -5.963 -4.223 1.00 43.12 H new ATOM 0 HB3 LEU A 77 -13.021 -5.195 -3.795 1.00 43.12 H new ATOM 0 HG LEU A 77 -14.231 -7.210 -4.661 1.00 64.24 H new ATOM 0 HD11 LEU A 77 -12.938 -9.300 -4.965 1.00 53.44 H new ATOM 0 HD12 LEU A 77 -12.501 -8.070 -6.175 1.00 53.44 H new ATOM 0 HD13 LEU A 77 -11.425 -8.379 -4.792 1.00 53.44 H new ATOM 0 HD21 LEU A 77 -13.674 -8.641 -2.721 1.00 73.32 H new ATOM 0 HD22 LEU A 77 -12.190 -7.694 -2.459 1.00 73.32 H new ATOM 0 HD23 LEU A 77 -13.783 -6.924 -2.267 1.00 73.32 H new ATOM 1172 N PRO A 78 -14.911 -5.416 -6.943 1.00 45.33 N ATOM 1173 CA PRO A 78 -16.241 -4.906 -7.354 1.00 0.00 C ATOM 1174 C PRO A 78 -17.214 -4.715 -6.188 1.00 10.45 C ATOM 1175 O PRO A 78 -18.267 -4.118 -6.340 1.00 61.24 O ATOM 1176 CB PRO A 78 -16.759 -5.977 -8.323 1.00 54.42 C ATOM 1177 CG PRO A 78 -16.021 -7.219 -7.964 1.00 2.40 C ATOM 1178 CD PRO A 78 -14.679 -6.788 -7.438 1.00 2.40 C ATOM 0 HA PRO A 78 -16.159 -3.913 -7.795 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -17.835 -6.115 -8.219 1.00 54.42 H new ATOM 0 HB3 PRO A 78 -16.573 -5.694 -9.359 1.00 54.42 H new ATOM 0 HG2 PRO A 78 -16.566 -7.789 -7.212 1.00 2.40 H new ATOM 0 HG3 PRO A 78 -15.906 -7.866 -8.834 1.00 2.40 H new ATOM 0 HD2 PRO A 78 -14.333 -7.446 -6.641 1.00 2.40 H new ATOM 0 HD3 PRO A 78 -13.919 -6.807 -8.220 1.00 2.40 H new ATOM 1186 N ASN A 79 -16.819 -5.171 -5.024 1.00 32.00 N ATOM 1187 CA ASN A 79 -17.645 -5.074 -3.821 1.00 32.33 C ATOM 1188 C ASN A 79 -17.430 -3.730 -3.137 1.00 2.32 C ATOM 1189 O ASN A 79 -17.855 -3.542 -2.007 1.00 62.10 O ATOM 1190 CB ASN A 79 -17.294 -6.197 -2.806 1.00 14.14 C ATOM 1191 CG ASN A 79 -17.481 -7.623 -3.322 1.00 61.34 C ATOM 1192 OD1 ASN A 79 -17.293 -7.913 -4.496 1.00 31.20 O ATOM 1193 ND2 ASN A 79 -17.847 -8.521 -2.441 1.00 12.43 N ATOM 0 H ASN A 79 -15.917 -5.622 -4.873 1.00 32.00 H new ATOM 0 HA ASN A 79 -18.684 -5.178 -4.133 1.00 32.33 H new ATOM 0 HB2 ASN A 79 -16.256 -6.073 -2.496 1.00 14.14 H new ATOM 0 HB3 ASN A 79 -17.910 -6.066 -1.916 1.00 14.14 H new ATOM 0 HD21 ASN A 79 -17.982 -9.491 -2.727 1.00 12.43 H new ATOM 0 HD22 ASN A 79 -17.997 -8.250 -1.469 1.00 12.43 H new ATOM 1200 N ASN A 80 -16.788 -2.789 -3.857 1.00 34.35 N ATOM 1201 CA ASN A 80 -16.398 -1.468 -3.314 1.00 25.04 C ATOM 1202 C ASN A 80 -15.350 -1.639 -2.258 1.00 15.42 C ATOM 1203 O ASN A 80 -15.275 -0.886 -1.305 1.00 12.31 O ATOM 1204 CB ASN A 80 -17.588 -0.634 -2.786 1.00 3.04 C ATOM 1205 CG ASN A 80 -18.386 0.021 -3.888 1.00 43.42 C ATOM 1206 OD1 ASN A 80 -18.081 1.143 -4.302 1.00 62.24 O ATOM 1207 ND2 ASN A 80 -19.407 -0.649 -4.366 1.00 3.32 N ATOM 0 H ASN A 80 -16.524 -2.922 -4.833 1.00 34.35 H new ATOM 0 HA ASN A 80 -15.990 -0.896 -4.147 1.00 25.04 H new ATOM 0 HB2 ASN A 80 -18.246 -1.279 -2.203 1.00 3.04 H new ATOM 0 HB3 ASN A 80 -17.214 0.135 -2.110 1.00 3.04 H new ATOM 0 HD21 ASN A 80 -19.981 -0.245 -5.106 1.00 3.32 H new ATOM 0 HD22 ASN A 80 -19.627 -1.574 -3.998 1.00 3.32 H new ATOM 1214 N ALA A 81 -14.509 -2.603 -2.494 1.00 2.11 N ATOM 1215 CA ALA A 81 -13.430 -2.939 -1.622 1.00 33.24 C ATOM 1216 C ALA A 81 -12.148 -2.833 -2.414 1.00 10.14 C ATOM 1217 O ALA A 81 -12.182 -2.818 -3.646 1.00 5.12 O ATOM 1218 CB ALA A 81 -13.616 -4.350 -1.096 1.00 52.02 C ATOM 0 H ALA A 81 -14.560 -3.193 -3.325 1.00 2.11 H new ATOM 0 HA ALA A 81 -13.398 -2.263 -0.768 1.00 33.24 H new ATOM 0 HB1 ALA A 81 -12.790 -4.602 -0.431 1.00 52.02 H new ATOM 0 HB2 ALA A 81 -14.556 -4.413 -0.548 1.00 52.02 H new ATOM 0 HB3 ALA A 81 -13.636 -5.050 -1.931 1.00 52.02 H new ATOM 1224 N THR A 82 -11.046 -2.741 -1.749 1.00 74.21 N ATOM 1225 CA THR A 82 -9.784 -2.630 -2.414 1.00 31.35 C ATOM 1226 C THR A 82 -8.785 -3.566 -1.733 1.00 32.40 C ATOM 1227 O THR A 82 -8.598 -3.507 -0.530 1.00 24.33 O ATOM 1228 CB THR A 82 -9.274 -1.182 -2.328 1.00 10.43 C ATOM 1229 OG1 THR A 82 -10.350 -0.293 -2.647 1.00 24.24 O ATOM 1230 CG2 THR A 82 -8.143 -0.944 -3.320 1.00 14.42 C ATOM 0 H THR A 82 -10.990 -2.740 -0.731 1.00 74.21 H new ATOM 0 HA THR A 82 -9.896 -2.904 -3.463 1.00 31.35 H new ATOM 0 HB THR A 82 -8.904 -1.003 -1.318 1.00 10.43 H new ATOM 0 HG1 THR A 82 -10.955 -0.223 -1.879 1.00 24.24 H new ATOM 0 HG21 THR A 82 -7.800 0.087 -3.240 1.00 14.42 H new ATOM 0 HG22 THR A 82 -7.317 -1.620 -3.099 1.00 14.42 H new ATOM 0 HG23 THR A 82 -8.502 -1.129 -4.332 1.00 14.42 H new ATOM 1238 N ARG A 83 -8.178 -4.432 -2.482 1.00 21.50 N ATOM 1239 CA ARG A 83 -7.224 -5.346 -1.938 1.00 12.34 C ATOM 1240 C ARG A 83 -5.833 -4.898 -2.308 1.00 32.13 C ATOM 1241 O ARG A 83 -5.580 -4.540 -3.447 1.00 64.22 O ATOM 1242 CB ARG A 83 -7.511 -6.781 -2.358 1.00 22.45 C ATOM 1243 CG ARG A 83 -6.531 -7.785 -1.783 1.00 61.21 C ATOM 1244 CD ARG A 83 -7.002 -9.200 -1.981 1.00 63.22 C ATOM 1245 NE ARG A 83 -8.247 -9.472 -1.243 1.00 14.54 N ATOM 1246 CZ ARG A 83 -9.227 -10.306 -1.605 1.00 55.33 C ATOM 1247 NH1 ARG A 83 -9.167 -10.968 -2.769 1.00 2.42 N ATOM 1248 NH2 ARG A 83 -10.270 -10.476 -0.788 1.00 3.14 N ATOM 0 H ARG A 83 -8.329 -4.525 -3.486 1.00 21.50 H new ATOM 0 HA ARG A 83 -7.304 -5.339 -0.851 1.00 12.34 H new ATOM 0 HB2 ARG A 83 -8.520 -7.049 -2.044 1.00 22.45 H new ATOM 0 HB3 ARG A 83 -7.488 -6.845 -3.446 1.00 22.45 H new ATOM 0 HG2 ARG A 83 -5.558 -7.656 -2.257 1.00 61.21 H new ATOM 0 HG3 ARG A 83 -6.395 -7.592 -0.719 1.00 61.21 H new ATOM 0 HD2 ARG A 83 -7.162 -9.384 -3.043 1.00 63.22 H new ATOM 0 HD3 ARG A 83 -6.226 -9.891 -1.651 1.00 63.22 H new ATOM 0 HE ARG A 83 -8.375 -8.972 -0.363 1.00 14.54 H new ATOM 0 HH11 ARG A 83 -8.368 -10.838 -3.389 1.00 2.42 H new ATOM 0 HH12 ARG A 83 -9.921 -11.602 -3.035 1.00 2.42 H new ATOM 0 HH21 ARG A 83 -10.311 -9.973 0.098 1.00 3.14 H new ATOM 0 HH22 ARG A 83 -11.026 -11.109 -1.050 1.00 3.14 H new ATOM 1262 N ILE A 84 -4.955 -4.894 -1.353 1.00 14.42 N ATOM 1263 CA ILE A 84 -3.638 -4.368 -1.534 1.00 54.30 C ATOM 1264 C ILE A 84 -2.614 -5.479 -1.484 1.00 41.01 C ATOM 1265 O ILE A 84 -2.707 -6.416 -0.670 1.00 73.30 O ATOM 1266 CB ILE A 84 -3.317 -3.238 -0.472 1.00 64.25 C ATOM 1267 CG1 ILE A 84 -3.794 -1.864 -0.938 1.00 1.44 C ATOM 1268 CG2 ILE A 84 -1.852 -3.172 -0.107 1.00 20.02 C ATOM 1269 CD1 ILE A 84 -5.278 -1.715 -1.116 1.00 4.13 C ATOM 0 H ILE A 84 -5.134 -5.259 -0.418 1.00 14.42 H new ATOM 0 HA ILE A 84 -3.589 -3.906 -2.520 1.00 54.30 H new ATOM 0 HB ILE A 84 -3.871 -3.518 0.424 1.00 64.25 H new ATOM 0 HG12 ILE A 84 -3.457 -1.119 -0.217 1.00 1.44 H new ATOM 0 HG13 ILE A 84 -3.308 -1.633 -1.886 1.00 1.44 H new ATOM 0 HG21 ILE A 84 -1.695 -2.379 0.624 1.00 20.02 H new ATOM 0 HG22 ILE A 84 -1.540 -4.126 0.319 1.00 20.02 H new ATOM 0 HG23 ILE A 84 -1.263 -2.964 -1.001 1.00 20.02 H new ATOM 0 HD11 ILE A 84 -5.505 -0.702 -1.448 1.00 4.13 H new ATOM 0 HD12 ILE A 84 -5.628 -2.429 -1.862 1.00 4.13 H new ATOM 0 HD13 ILE A 84 -5.779 -1.906 -0.167 1.00 4.13 H new ATOM 1281 N SER A 85 -1.701 -5.391 -2.405 1.00 63.43 N ATOM 1282 CA SER A 85 -0.623 -6.311 -2.562 1.00 71.43 C ATOM 1283 C SER A 85 0.683 -5.522 -2.442 1.00 51.10 C ATOM 1284 O SER A 85 0.923 -4.573 -3.207 1.00 21.02 O ATOM 1285 CB SER A 85 -0.751 -6.960 -3.938 1.00 61.01 C ATOM 1286 OG SER A 85 -2.068 -7.485 -4.103 1.00 11.10 O ATOM 0 H SER A 85 -1.690 -4.641 -3.096 1.00 63.43 H new ATOM 0 HA SER A 85 -0.637 -7.094 -1.804 1.00 71.43 H new ATOM 0 HB2 SER A 85 -0.541 -6.227 -4.717 1.00 61.01 H new ATOM 0 HB3 SER A 85 -0.016 -7.757 -4.044 1.00 61.01 H new ATOM 0 HG SER A 85 -2.147 -7.899 -4.988 1.00 11.10 H new ATOM 1292 N ILE A 86 1.474 -5.853 -1.457 1.00 52.03 N ATOM 1293 CA ILE A 86 2.702 -5.136 -1.190 1.00 62.34 C ATOM 1294 C ILE A 86 3.913 -6.007 -1.505 1.00 31.04 C ATOM 1295 O ILE A 86 3.896 -7.213 -1.278 1.00 11.04 O ATOM 1296 CB ILE A 86 2.728 -4.613 0.286 1.00 53.01 C ATOM 1297 CG1 ILE A 86 1.549 -3.652 0.486 1.00 13.43 C ATOM 1298 CG2 ILE A 86 4.056 -3.918 0.624 1.00 34.11 C ATOM 1299 CD1 ILE A 86 1.380 -3.114 1.886 1.00 32.31 C ATOM 0 H ILE A 86 1.290 -6.625 -0.816 1.00 52.03 H new ATOM 0 HA ILE A 86 2.747 -4.266 -1.845 1.00 62.34 H new ATOM 0 HB ILE A 86 2.638 -5.463 0.962 1.00 53.01 H new ATOM 0 HG12 ILE A 86 1.669 -2.810 -0.196 1.00 13.43 H new ATOM 0 HG13 ILE A 86 0.631 -4.166 0.200 1.00 13.43 H new ATOM 0 HG21 ILE A 86 4.032 -3.570 1.657 1.00 34.11 H new ATOM 0 HG22 ILE A 86 4.878 -4.623 0.497 1.00 34.11 H new ATOM 0 HG23 ILE A 86 4.201 -3.067 -0.042 1.00 34.11 H new ATOM 0 HD11 ILE A 86 0.519 -2.446 1.918 1.00 32.31 H new ATOM 0 HD12 ILE A 86 1.222 -3.942 2.577 1.00 32.31 H new ATOM 0 HD13 ILE A 86 2.276 -2.565 2.176 1.00 32.31 H new ATOM 1311 N LYS A 87 4.970 -5.379 -1.949 1.00 51.33 N ATOM 1312 CA LYS A 87 6.162 -6.045 -2.383 1.00 75.21 C ATOM 1313 C LYS A 87 7.260 -5.786 -1.374 1.00 0.55 C ATOM 1314 O LYS A 87 7.583 -4.645 -1.043 1.00 61.02 O ATOM 1315 CB LYS A 87 6.542 -5.488 -3.764 1.00 11.51 C ATOM 1316 CG LYS A 87 7.946 -5.812 -4.278 1.00 14.32 C ATOM 1317 CD LYS A 87 8.193 -7.296 -4.465 1.00 44.24 C ATOM 1318 CE LYS A 87 9.608 -7.537 -4.973 1.00 42.25 C ATOM 1319 NZ LYS A 87 10.611 -6.950 -4.071 1.00 3.42 N ATOM 0 H LYS A 87 5.023 -4.363 -2.019 1.00 51.33 H new ATOM 0 HA LYS A 87 6.010 -7.122 -2.460 1.00 75.21 H new ATOM 0 HB2 LYS A 87 5.820 -5.861 -4.491 1.00 11.51 H new ATOM 0 HB3 LYS A 87 6.433 -4.404 -3.734 1.00 11.51 H new ATOM 0 HG2 LYS A 87 8.103 -5.303 -5.229 1.00 14.32 H new ATOM 0 HG3 LYS A 87 8.681 -5.414 -3.578 1.00 14.32 H new ATOM 0 HD2 LYS A 87 8.045 -7.818 -3.520 1.00 44.24 H new ATOM 0 HD3 LYS A 87 7.471 -7.705 -5.172 1.00 44.24 H new ATOM 0 HE2 LYS A 87 9.784 -8.608 -5.067 1.00 42.25 H new ATOM 0 HE3 LYS A 87 9.717 -7.107 -5.969 1.00 42.25 H new ATOM 0 HZ1 LYS A 87 11.526 -7.423 -4.214 1.00 3.42 H new ATOM 0 HZ2 LYS A 87 10.710 -5.935 -4.276 1.00 3.42 H new ATOM 0 HZ3 LYS A 87 10.307 -7.076 -3.085 1.00 3.42 H new ATOM 1333 N TYR A 88 7.778 -6.874 -0.867 1.00 50.50 N ATOM 1334 CA TYR A 88 8.762 -6.883 0.179 1.00 11.34 C ATOM 1335 C TYR A 88 10.156 -7.022 -0.387 1.00 21.23 C ATOM 1336 O TYR A 88 10.331 -7.568 -1.481 1.00 43.21 O ATOM 1337 CB TYR A 88 8.492 -8.076 1.122 1.00 53.21 C ATOM 1338 CG TYR A 88 8.670 -9.456 0.468 1.00 10.00 C ATOM 1339 CD1 TYR A 88 7.719 -9.975 -0.401 1.00 14.41 C ATOM 1340 CD2 TYR A 88 9.805 -10.218 0.712 1.00 63.34 C ATOM 1341 CE1 TYR A 88 7.894 -11.207 -1.001 1.00 4.54 C ATOM 1342 CE2 TYR A 88 9.988 -11.447 0.111 1.00 21.10 C ATOM 1343 CZ TYR A 88 9.027 -11.935 -0.742 1.00 41.22 C ATOM 1344 OH TYR A 88 9.203 -13.148 -1.348 1.00 51.30 O ATOM 0 H TYR A 88 7.517 -7.808 -1.183 1.00 50.50 H new ATOM 0 HA TYR A 88 8.693 -5.939 0.720 1.00 11.34 H new ATOM 0 HB2 TYR A 88 9.162 -8.005 1.979 1.00 53.21 H new ATOM 0 HB3 TYR A 88 7.475 -7.998 1.505 1.00 53.21 H new ATOM 0 HD1 TYR A 88 6.826 -9.405 -0.612 1.00 14.41 H new ATOM 0 HD2 TYR A 88 10.560 -9.841 1.386 1.00 63.34 H new ATOM 0 HE1 TYR A 88 7.142 -11.595 -1.671 1.00 4.54 H new ATOM 0 HE2 TYR A 88 10.881 -12.022 0.310 1.00 21.10 H new ATOM 0 HH TYR A 88 10.056 -13.536 -1.061 1.00 51.30 H new ATOM 1354 N GLY A 89 11.119 -6.536 0.353 1.00 73.24 N ATOM 1355 CA GLY A 89 12.496 -6.739 0.025 1.00 42.45 C ATOM 1356 C GLY A 89 13.003 -7.947 0.763 1.00 71.45 C ATOM 1357 O GLY A 89 12.238 -8.568 1.505 1.00 43.32 O ATOM 0 H GLY A 89 10.965 -5.989 1.200 1.00 73.24 H new ATOM 0 HA2 GLY A 89 12.610 -6.879 -1.050 1.00 42.45 H new ATOM 0 HA3 GLY A 89 13.081 -5.860 0.295 1.00 42.45 H new ATOM 1361 N SER A 90 14.276 -8.252 0.639 1.00 54.53 N ATOM 1362 CA SER A 90 14.866 -9.451 1.241 1.00 24.45 C ATOM 1363 C SER A 90 14.751 -9.483 2.793 1.00 12.14 C ATOM 1364 O SER A 90 14.905 -10.531 3.406 1.00 71.34 O ATOM 1365 CB SER A 90 16.320 -9.548 0.813 1.00 42.35 C ATOM 1366 OG SER A 90 16.428 -9.339 -0.595 1.00 21.55 O ATOM 0 H SER A 90 14.942 -7.681 0.119 1.00 54.53 H new ATOM 0 HA SER A 90 14.301 -10.312 0.884 1.00 24.45 H new ATOM 0 HB2 SER A 90 16.915 -8.806 1.346 1.00 42.35 H new ATOM 0 HB3 SER A 90 16.721 -10.527 1.076 1.00 42.35 H new ATOM 0 HG SER A 90 16.705 -8.415 -0.768 1.00 21.55 H new ATOM 1372 N GLN A 91 14.482 -8.335 3.405 1.00 44.35 N ATOM 1373 CA GLN A 91 14.357 -8.257 4.858 1.00 41.23 C ATOM 1374 C GLN A 91 12.894 -8.387 5.316 1.00 65.44 C ATOM 1375 O GLN A 91 12.628 -8.523 6.504 1.00 71.24 O ATOM 1376 CB GLN A 91 14.940 -6.942 5.390 1.00 63.00 C ATOM 1377 CG GLN A 91 14.246 -5.684 4.861 1.00 43.44 C ATOM 1378 CD GLN A 91 14.756 -4.401 5.501 1.00 3.25 C ATOM 1379 OE1 GLN A 91 14.760 -3.341 4.879 1.00 64.12 O ATOM 1380 NE2 GLN A 91 15.160 -4.471 6.748 1.00 1.43 N ATOM 0 H GLN A 91 14.346 -7.448 2.921 1.00 44.35 H new ATOM 0 HA GLN A 91 14.922 -9.095 5.266 1.00 41.23 H new ATOM 0 HB2 GLN A 91 14.879 -6.946 6.478 1.00 63.00 H new ATOM 0 HB3 GLN A 91 15.997 -6.896 5.130 1.00 63.00 H new ATOM 0 HG2 GLN A 91 14.389 -5.625 3.782 1.00 43.44 H new ATOM 0 HG3 GLN A 91 13.174 -5.768 5.037 1.00 43.44 H new ATOM 0 HE21 GLN A 91 15.146 -5.365 7.239 1.00 1.43 H new ATOM 0 HE22 GLN A 91 15.488 -3.632 7.226 1.00 1.43 H new ATOM 1389 N GLY A 92 11.964 -8.349 4.374 1.00 20.32 N ATOM 1390 CA GLY A 92 10.566 -8.392 4.734 1.00 11.11 C ATOM 1391 C GLY A 92 10.012 -7.003 5.036 1.00 3.24 C ATOM 1392 O GLY A 92 10.446 -6.331 5.966 1.00 71.11 O ATOM 0 H GLY A 92 12.152 -8.290 3.373 1.00 20.32 H new ATOM 0 HA2 GLY A 92 9.996 -8.841 3.921 1.00 11.11 H new ATOM 0 HA3 GLY A 92 10.436 -9.032 5.606 1.00 11.11 H new ATOM 1396 N ASN A 93 9.045 -6.575 4.256 1.00 31.02 N ATOM 1397 CA ASN A 93 8.460 -5.239 4.419 1.00 12.11 C ATOM 1398 C ASN A 93 7.209 -5.296 5.260 1.00 41.35 C ATOM 1399 O ASN A 93 6.721 -4.268 5.702 1.00 24.32 O ATOM 1400 CB ASN A 93 8.126 -4.592 3.056 1.00 71.12 C ATOM 1401 CG ASN A 93 9.348 -4.207 2.231 1.00 35.50 C ATOM 1402 OD1 ASN A 93 10.417 -4.797 2.360 1.00 11.12 O ATOM 1403 ND2 ASN A 93 9.184 -3.266 1.337 1.00 14.31 N ATOM 0 H ASN A 93 8.639 -7.124 3.499 1.00 31.02 H new ATOM 0 HA ASN A 93 9.208 -4.627 4.923 1.00 12.11 H new ATOM 0 HB2 ASN A 93 7.515 -5.285 2.478 1.00 71.12 H new ATOM 0 HB3 ASN A 93 7.522 -3.701 3.228 1.00 71.12 H new ATOM 0 HD21 ASN A 93 9.956 -3.005 0.724 1.00 14.31 H new ATOM 0 HD22 ASN A 93 8.284 -2.793 1.253 1.00 14.31 H new ATOM 1410 N SER A 94 6.751 -6.512 5.529 1.00 62.13 N ATOM 1411 CA SER A 94 5.464 -6.808 6.173 1.00 32.35 C ATOM 1412 C SER A 94 5.158 -5.912 7.406 1.00 34.02 C ATOM 1413 O SER A 94 4.089 -5.302 7.471 1.00 53.50 O ATOM 1414 CB SER A 94 5.430 -8.305 6.546 1.00 41.43 C ATOM 1415 OG SER A 94 4.185 -8.703 7.069 1.00 63.10 O ATOM 0 H SER A 94 7.279 -7.354 5.299 1.00 62.13 H new ATOM 0 HA SER A 94 4.675 -6.577 5.457 1.00 32.35 H new ATOM 0 HB2 SER A 94 5.656 -8.901 5.662 1.00 41.43 H new ATOM 0 HB3 SER A 94 6.211 -8.511 7.278 1.00 41.43 H new ATOM 0 HG SER A 94 4.258 -9.609 7.435 1.00 63.10 H new ATOM 1421 N ILE A 95 6.105 -5.787 8.333 1.00 30.11 N ATOM 1422 CA ILE A 95 5.896 -4.979 9.538 1.00 21.25 C ATOM 1423 C ILE A 95 5.654 -3.500 9.193 1.00 23.01 C ATOM 1424 O ILE A 95 4.737 -2.860 9.712 1.00 0.23 O ATOM 1425 CB ILE A 95 7.087 -5.115 10.512 1.00 33.02 C ATOM 1426 CG1 ILE A 95 7.266 -6.584 10.907 1.00 23.51 C ATOM 1427 CG2 ILE A 95 6.904 -4.240 11.757 1.00 44.32 C ATOM 1428 CD1 ILE A 95 6.017 -7.262 11.462 1.00 42.23 C ATOM 0 H ILE A 95 7.021 -6.231 8.276 1.00 30.11 H new ATOM 0 HA ILE A 95 5.001 -5.360 10.030 1.00 21.25 H new ATOM 0 HB ILE A 95 7.985 -4.767 10.002 1.00 33.02 H new ATOM 0 HG12 ILE A 95 7.605 -7.140 10.033 1.00 23.51 H new ATOM 0 HG13 ILE A 95 8.058 -6.650 11.653 1.00 23.51 H new ATOM 0 HG21 ILE A 95 7.762 -4.363 12.418 1.00 44.32 H new ATOM 0 HG22 ILE A 95 6.823 -3.195 11.458 1.00 44.32 H new ATOM 0 HG23 ILE A 95 5.996 -4.539 12.282 1.00 44.32 H new ATOM 0 HD11 ILE A 95 6.246 -8.298 11.712 1.00 42.23 H new ATOM 0 HD12 ILE A 95 5.686 -6.737 12.358 1.00 42.23 H new ATOM 0 HD13 ILE A 95 5.226 -7.236 10.713 1.00 42.23 H new ATOM 1440 N ARG A 96 6.451 -2.991 8.276 1.00 31.41 N ATOM 1441 CA ARG A 96 6.350 -1.618 7.820 1.00 5.35 C ATOM 1442 C ARG A 96 5.064 -1.414 7.030 1.00 1.43 C ATOM 1443 O ARG A 96 4.386 -0.396 7.165 1.00 64.53 O ATOM 1444 CB ARG A 96 7.563 -1.293 6.956 1.00 75.32 C ATOM 1445 CG ARG A 96 8.879 -1.304 7.719 1.00 71.24 C ATOM 1446 CD ARG A 96 8.948 -0.134 8.689 1.00 23.33 C ATOM 1447 NE ARG A 96 8.798 1.130 7.970 1.00 33.40 N ATOM 1448 CZ ARG A 96 8.024 2.156 8.321 1.00 0.13 C ATOM 1449 NH1 ARG A 96 7.448 2.199 9.530 1.00 24.05 N ATOM 1450 NH2 ARG A 96 7.841 3.146 7.466 1.00 72.02 N ATOM 0 H ARG A 96 7.194 -3.522 7.822 1.00 31.41 H new ATOM 0 HA ARG A 96 6.327 -0.949 8.680 1.00 5.35 H new ATOM 0 HB2 ARG A 96 7.620 -2.014 6.140 1.00 75.32 H new ATOM 0 HB3 ARG A 96 7.423 -0.311 6.504 1.00 75.32 H new ATOM 0 HG2 ARG A 96 8.981 -2.242 8.265 1.00 71.24 H new ATOM 0 HG3 ARG A 96 9.712 -1.251 7.018 1.00 71.24 H new ATOM 0 HD2 ARG A 96 8.164 -0.228 9.440 1.00 23.33 H new ATOM 0 HD3 ARG A 96 9.900 -0.148 9.219 1.00 23.33 H new ATOM 0 HE ARG A 96 9.341 1.237 7.113 1.00 33.40 H new ATOM 0 HH11 ARG A 96 7.600 1.440 10.195 1.00 24.05 H new ATOM 0 HH12 ARG A 96 6.858 2.991 9.786 1.00 24.05 H new ATOM 0 HH21 ARG A 96 8.290 3.119 6.550 1.00 72.02 H new ATOM 0 HH22 ARG A 96 7.251 3.938 7.721 1.00 72.02 H new ATOM 1464 N SER A 97 4.729 -2.407 6.247 1.00 50.32 N ATOM 1465 CA SER A 97 3.553 -2.399 5.420 1.00 1.01 C ATOM 1466 C SER A 97 2.269 -2.398 6.259 1.00 31.14 C ATOM 1467 O SER A 97 1.300 -1.729 5.912 1.00 12.00 O ATOM 1468 CB SER A 97 3.605 -3.612 4.514 1.00 14.44 C ATOM 1469 OG SER A 97 4.806 -3.599 3.761 1.00 12.31 O ATOM 0 H SER A 97 5.279 -3.262 6.166 1.00 50.32 H new ATOM 0 HA SER A 97 3.536 -1.485 4.826 1.00 1.01 H new ATOM 0 HB2 SER A 97 3.548 -4.524 5.109 1.00 14.44 H new ATOM 0 HB3 SER A 97 2.745 -3.614 3.844 1.00 14.44 H new ATOM 0 HG SER A 97 5.568 -3.758 4.357 1.00 12.31 H new ATOM 1475 N SER A 98 2.291 -3.117 7.372 1.00 10.20 N ATOM 1476 CA SER A 98 1.148 -3.212 8.254 1.00 33.51 C ATOM 1477 C SER A 98 0.798 -1.823 8.819 1.00 22.20 C ATOM 1478 O SER A 98 -0.378 -1.453 8.923 1.00 65.43 O ATOM 1479 CB SER A 98 1.445 -4.219 9.386 1.00 12.14 C ATOM 1480 OG SER A 98 0.255 -4.603 10.066 1.00 65.12 O ATOM 0 H SER A 98 3.103 -3.649 7.685 1.00 10.20 H new ATOM 0 HA SER A 98 0.285 -3.572 7.694 1.00 33.51 H new ATOM 0 HB2 SER A 98 1.930 -5.103 8.971 1.00 12.14 H new ATOM 0 HB3 SER A 98 2.144 -3.776 10.095 1.00 12.14 H new ATOM 0 HG SER A 98 0.475 -5.242 10.776 1.00 65.12 H new ATOM 1486 N ALA A 99 1.833 -1.044 9.126 1.00 1.13 N ATOM 1487 CA ALA A 99 1.657 0.300 9.654 1.00 31.54 C ATOM 1488 C ALA A 99 1.008 1.199 8.607 1.00 54.52 C ATOM 1489 O ALA A 99 0.078 1.943 8.911 1.00 3.50 O ATOM 1490 CB ALA A 99 2.993 0.873 10.103 1.00 44.15 C ATOM 0 H ALA A 99 2.807 -1.326 9.016 1.00 1.13 H new ATOM 0 HA ALA A 99 0.998 0.251 10.521 1.00 31.54 H new ATOM 0 HB1 ALA A 99 2.844 1.879 10.495 1.00 44.15 H new ATOM 0 HB2 ALA A 99 3.418 0.239 10.881 1.00 44.15 H new ATOM 0 HB3 ALA A 99 3.676 0.912 9.254 1.00 44.15 H new ATOM 1496 N LEU A 100 1.491 1.089 7.368 1.00 65.31 N ATOM 1497 CA LEU A 100 0.987 1.845 6.237 1.00 3.43 C ATOM 1498 C LEU A 100 -0.498 1.573 6.050 1.00 4.13 C ATOM 1499 O LEU A 100 -1.295 2.492 5.903 1.00 33.35 O ATOM 1500 CB LEU A 100 1.740 1.414 4.983 1.00 23.21 C ATOM 1501 CG LEU A 100 1.508 2.243 3.722 1.00 14.02 C ATOM 1502 CD1 LEU A 100 1.996 3.667 3.922 1.00 43.23 C ATOM 1503 CD2 LEU A 100 2.198 1.597 2.535 1.00 52.22 C ATOM 0 H LEU A 100 2.256 0.459 7.126 1.00 65.31 H new ATOM 0 HA LEU A 100 1.133 2.910 6.417 1.00 3.43 H new ATOM 0 HB2 LEU A 100 2.807 1.426 5.206 1.00 23.21 H new ATOM 0 HB3 LEU A 100 1.472 0.380 4.764 1.00 23.21 H new ATOM 0 HG LEU A 100 0.438 2.279 3.520 1.00 14.02 H new ATOM 0 HD11 LEU A 100 1.822 4.242 3.013 1.00 43.23 H new ATOM 0 HD12 LEU A 100 1.454 4.124 4.750 1.00 43.23 H new ATOM 0 HD13 LEU A 100 3.062 3.658 4.147 1.00 43.23 H new ATOM 0 HD21 LEU A 100 2.025 2.198 1.642 1.00 52.22 H new ATOM 0 HD22 LEU A 100 3.269 1.533 2.727 1.00 52.22 H new ATOM 0 HD23 LEU A 100 1.796 0.595 2.382 1.00 52.22 H new ATOM 1515 N ILE A 101 -0.849 0.302 6.116 1.00 15.41 N ATOM 1516 CA ILE A 101 -2.231 -0.150 5.956 1.00 15.14 C ATOM 1517 C ILE A 101 -3.141 0.473 7.014 1.00 43.41 C ATOM 1518 O ILE A 101 -4.232 0.955 6.685 1.00 63.42 O ATOM 1519 CB ILE A 101 -2.320 -1.706 6.011 1.00 64.44 C ATOM 1520 CG1 ILE A 101 -1.600 -2.331 4.803 1.00 71.13 C ATOM 1521 CG2 ILE A 101 -3.767 -2.201 6.094 1.00 42.03 C ATOM 1522 CD1 ILE A 101 -2.237 -2.029 3.456 1.00 4.35 C ATOM 0 H ILE A 101 -0.185 -0.454 6.283 1.00 15.41 H new ATOM 0 HA ILE A 101 -2.574 0.179 4.975 1.00 15.14 H new ATOM 0 HB ILE A 101 -1.819 -2.026 6.925 1.00 64.44 H new ATOM 0 HG12 ILE A 101 -0.569 -1.977 4.789 1.00 71.13 H new ATOM 0 HG13 ILE A 101 -1.564 -3.412 4.938 1.00 71.13 H new ATOM 0 HG21 ILE A 101 -3.777 -3.290 6.130 1.00 42.03 H new ATOM 0 HG22 ILE A 101 -4.236 -1.804 6.994 1.00 42.03 H new ATOM 0 HG23 ILE A 101 -4.318 -1.862 5.217 1.00 42.03 H new ATOM 0 HD11 ILE A 101 -1.662 -2.510 2.665 1.00 4.35 H new ATOM 0 HD12 ILE A 101 -3.259 -2.408 3.444 1.00 4.35 H new ATOM 0 HD13 ILE A 101 -2.248 -0.951 3.292 1.00 4.35 H new ATOM 1534 N GLY A 102 -2.657 0.521 8.258 1.00 41.21 N ATOM 1535 CA GLY A 102 -3.422 1.111 9.353 1.00 64.21 C ATOM 1536 C GLY A 102 -3.766 2.563 9.095 1.00 32.34 C ATOM 1537 O GLY A 102 -4.862 3.035 9.431 1.00 0.44 O ATOM 0 H GLY A 102 -1.742 0.159 8.529 1.00 41.21 H new ATOM 0 HA2 GLY A 102 -4.340 0.543 9.500 1.00 64.21 H new ATOM 0 HA3 GLY A 102 -2.849 1.034 10.277 1.00 64.21 H new ATOM 1541 N ILE A 103 -2.844 3.247 8.476 1.00 22.04 N ATOM 1542 CA ILE A 103 -3.000 4.631 8.110 1.00 32.34 C ATOM 1543 C ILE A 103 -4.044 4.769 7.013 1.00 51.10 C ATOM 1544 O ILE A 103 -4.955 5.589 7.116 1.00 4.12 O ATOM 1545 CB ILE A 103 -1.648 5.189 7.626 1.00 43.32 C ATOM 1546 CG1 ILE A 103 -0.650 5.143 8.780 1.00 61.13 C ATOM 1547 CG2 ILE A 103 -1.792 6.611 7.064 1.00 51.11 C ATOM 1548 CD1 ILE A 103 0.782 5.280 8.360 1.00 12.51 C ATOM 0 H ILE A 103 -1.944 2.851 8.205 1.00 22.04 H new ATOM 0 HA ILE A 103 -3.333 5.197 8.980 1.00 32.34 H new ATOM 0 HB ILE A 103 -1.279 4.570 6.808 1.00 43.32 H new ATOM 0 HG12 ILE A 103 -0.888 5.941 9.484 1.00 61.13 H new ATOM 0 HG13 ILE A 103 -0.772 4.200 9.313 1.00 61.13 H new ATOM 0 HG21 ILE A 103 -0.818 6.972 6.733 1.00 51.11 H new ATOM 0 HG22 ILE A 103 -2.482 6.601 6.220 1.00 51.11 H new ATOM 0 HG23 ILE A 103 -2.179 7.272 7.840 1.00 51.11 H new ATOM 0 HD11 ILE A 103 1.425 5.237 9.239 1.00 12.51 H new ATOM 0 HD12 ILE A 103 1.041 4.468 7.681 1.00 12.51 H new ATOM 0 HD13 ILE A 103 0.923 6.235 7.854 1.00 12.51 H new ATOM 1560 N ILE A 104 -3.930 3.926 6.001 1.00 53.53 N ATOM 1561 CA ILE A 104 -4.807 3.978 4.838 1.00 21.24 C ATOM 1562 C ILE A 104 -6.262 3.739 5.239 1.00 33.01 C ATOM 1563 O ILE A 104 -7.135 4.549 4.926 1.00 13.11 O ATOM 1564 CB ILE A 104 -4.384 2.905 3.799 1.00 34.43 C ATOM 1565 CG1 ILE A 104 -2.933 3.130 3.372 1.00 53.34 C ATOM 1566 CG2 ILE A 104 -5.308 2.933 2.579 1.00 5.31 C ATOM 1567 CD1 ILE A 104 -2.351 2.003 2.545 1.00 31.44 C ATOM 0 H ILE A 104 -3.229 3.186 5.960 1.00 53.53 H new ATOM 0 HA ILE A 104 -4.719 4.971 4.398 1.00 21.24 H new ATOM 0 HB ILE A 104 -4.467 1.923 4.265 1.00 34.43 H new ATOM 0 HG12 ILE A 104 -2.873 4.055 2.799 1.00 53.34 H new ATOM 0 HG13 ILE A 104 -2.320 3.267 4.263 1.00 53.34 H new ATOM 0 HG21 ILE A 104 -4.991 2.172 1.865 1.00 5.31 H new ATOM 0 HG22 ILE A 104 -6.332 2.732 2.893 1.00 5.31 H new ATOM 0 HG23 ILE A 104 -5.259 3.915 2.108 1.00 5.31 H new ATOM 0 HD11 ILE A 104 -1.320 2.239 2.283 1.00 31.44 H new ATOM 0 HD12 ILE A 104 -2.376 1.078 3.121 1.00 31.44 H new ATOM 0 HD13 ILE A 104 -2.938 1.879 1.635 1.00 31.44 H new ATOM 1579 N GLU A 105 -6.506 2.674 5.982 1.00 31.04 N ATOM 1580 CA GLU A 105 -7.854 2.360 6.407 1.00 53.11 C ATOM 1581 C GLU A 105 -8.401 3.398 7.386 1.00 32.14 C ATOM 1582 O GLU A 105 -9.560 3.824 7.273 1.00 25.30 O ATOM 1583 CB GLU A 105 -7.971 0.931 6.949 1.00 75.01 C ATOM 1584 CG GLU A 105 -7.015 0.579 8.068 1.00 54.04 C ATOM 1585 CD GLU A 105 -7.265 -0.800 8.602 1.00 22.24 C ATOM 1586 OE1 GLU A 105 -6.740 -1.774 8.040 1.00 1.02 O ATOM 1587 OE2 GLU A 105 -8.016 -0.921 9.591 1.00 32.04 O ATOM 0 H GLU A 105 -5.793 2.018 6.300 1.00 31.04 H new ATOM 0 HA GLU A 105 -8.484 2.406 5.519 1.00 53.11 H new ATOM 0 HB2 GLU A 105 -8.990 0.778 7.304 1.00 75.01 H new ATOM 0 HB3 GLU A 105 -7.812 0.235 6.126 1.00 75.01 H new ATOM 0 HG2 GLU A 105 -5.990 0.648 7.705 1.00 54.04 H new ATOM 0 HG3 GLU A 105 -7.117 1.305 8.875 1.00 54.04 H new ATOM 1594 N GLY A 106 -7.547 3.825 8.315 1.00 53.15 N ATOM 1595 CA GLY A 106 -7.911 4.801 9.304 1.00 21.45 C ATOM 1596 C GLY A 106 -8.278 6.131 8.699 1.00 4.31 C ATOM 1597 O GLY A 106 -9.275 6.731 9.091 1.00 43.24 O ATOM 0 H GLY A 106 -6.585 3.495 8.391 1.00 53.15 H new ATOM 0 HA2 GLY A 106 -8.753 4.426 9.886 1.00 21.45 H new ATOM 0 HA3 GLY A 106 -7.081 4.938 9.997 1.00 21.45 H new ATOM 1601 N ASN A 107 -7.531 6.539 7.689 1.00 31.04 N ATOM 1602 CA ASN A 107 -7.726 7.836 7.036 1.00 34.20 C ATOM 1603 C ASN A 107 -9.092 7.888 6.387 1.00 63.01 C ATOM 1604 O ASN A 107 -9.831 8.860 6.558 1.00 21.22 O ATOM 1605 CB ASN A 107 -6.629 8.052 5.970 1.00 10.13 C ATOM 1606 CG ASN A 107 -6.777 9.344 5.166 1.00 61.41 C ATOM 1607 OD1 ASN A 107 -7.433 9.373 4.134 1.00 52.53 O ATOM 1608 ND2 ASN A 107 -6.139 10.401 5.614 1.00 43.42 N ATOM 0 H ASN A 107 -6.771 5.986 7.293 1.00 31.04 H new ATOM 0 HA ASN A 107 -7.660 8.626 7.784 1.00 34.20 H new ATOM 0 HB2 ASN A 107 -5.656 8.054 6.462 1.00 10.13 H new ATOM 0 HB3 ASN A 107 -6.637 7.207 5.282 1.00 10.13 H new ATOM 0 HD21 ASN A 107 -6.182 11.280 5.098 1.00 43.42 H new ATOM 0 HD22 ASN A 107 -5.601 10.343 6.478 1.00 43.42 H new ATOM 1615 N ILE A 108 -9.452 6.809 5.729 1.00 0.43 N ATOM 1616 CA ILE A 108 -10.724 6.719 5.043 1.00 12.10 C ATOM 1617 C ILE A 108 -11.876 6.759 6.030 1.00 30.12 C ATOM 1618 O ILE A 108 -12.801 7.543 5.869 1.00 13.42 O ATOM 1619 CB ILE A 108 -10.819 5.426 4.216 1.00 22.35 C ATOM 1620 CG1 ILE A 108 -9.669 5.354 3.217 1.00 35.24 C ATOM 1621 CG2 ILE A 108 -12.163 5.356 3.491 1.00 33.44 C ATOM 1622 CD1 ILE A 108 -9.532 4.014 2.553 1.00 13.24 C ATOM 0 H ILE A 108 -8.875 5.971 5.654 1.00 0.43 H new ATOM 0 HA ILE A 108 -10.790 7.577 4.374 1.00 12.10 H new ATOM 0 HB ILE A 108 -10.747 4.573 4.891 1.00 22.35 H new ATOM 0 HG12 ILE A 108 -9.816 6.116 2.452 1.00 35.24 H new ATOM 0 HG13 ILE A 108 -8.737 5.593 3.730 1.00 35.24 H new ATOM 0 HG21 ILE A 108 -12.215 4.435 2.910 1.00 33.44 H new ATOM 0 HG22 ILE A 108 -12.972 5.370 4.222 1.00 33.44 H new ATOM 0 HG23 ILE A 108 -12.262 6.212 2.824 1.00 33.44 H new ATOM 0 HD11 ILE A 108 -8.694 4.037 1.856 1.00 13.24 H new ATOM 0 HD12 ILE A 108 -9.354 3.250 3.309 1.00 13.24 H new ATOM 0 HD13 ILE A 108 -10.448 3.781 2.011 1.00 13.24 H new ATOM 1634 N ARG A 109 -11.800 5.946 7.077 1.00 4.25 N ATOM 1635 CA ARG A 109 -12.885 5.901 8.039 1.00 51.55 C ATOM 1636 C ARG A 109 -13.102 7.205 8.757 1.00 73.30 C ATOM 1637 O ARG A 109 -14.237 7.593 8.972 1.00 3.55 O ATOM 1638 CB ARG A 109 -12.838 4.711 8.995 1.00 4.02 C ATOM 1639 CG ARG A 109 -11.491 4.380 9.574 1.00 14.33 C ATOM 1640 CD ARG A 109 -11.588 3.149 10.453 1.00 42.31 C ATOM 1641 NE ARG A 109 -10.286 2.715 10.966 1.00 73.25 N ATOM 1642 CZ ARG A 109 -9.679 1.562 10.612 1.00 35.12 C ATOM 1643 NH1 ARG A 109 -10.186 0.788 9.655 1.00 44.44 N ATOM 1644 NH2 ARG A 109 -8.544 1.193 11.188 1.00 41.42 N ATOM 0 H ARG A 109 -11.016 5.324 7.276 1.00 4.25 H new ATOM 0 HA ARG A 109 -13.770 5.735 7.425 1.00 51.55 H new ATOM 0 HB2 ARG A 109 -13.527 4.904 9.817 1.00 4.02 H new ATOM 0 HB3 ARG A 109 -13.210 3.833 8.468 1.00 4.02 H new ATOM 0 HG2 ARG A 109 -10.774 4.207 8.771 1.00 14.33 H new ATOM 0 HG3 ARG A 109 -11.120 5.223 10.156 1.00 14.33 H new ATOM 0 HD2 ARG A 109 -12.253 3.358 11.291 1.00 42.31 H new ATOM 0 HD3 ARG A 109 -12.039 2.336 9.884 1.00 42.31 H new ATOM 0 HE ARG A 109 -9.808 3.322 11.632 1.00 73.25 H new ATOM 0 HH11 ARG A 109 -11.045 1.063 9.178 1.00 44.44 H new ATOM 0 HH12 ARG A 109 -9.716 -0.080 9.399 1.00 44.44 H new ATOM 0 HH21 ARG A 109 -8.121 1.782 11.906 1.00 41.42 H new ATOM 0 HH22 ARG A 109 -8.093 0.320 10.914 1.00 41.42 H new ATOM 1658 N TYR A 110 -12.032 7.902 9.069 1.00 2.34 N ATOM 1659 CA TYR A 110 -12.161 9.182 9.738 1.00 64.10 C ATOM 1660 C TYR A 110 -12.717 10.230 8.782 1.00 52.13 C ATOM 1661 O TYR A 110 -13.515 11.067 9.173 1.00 32.34 O ATOM 1662 CB TYR A 110 -10.845 9.644 10.373 1.00 14.33 C ATOM 1663 CG TYR A 110 -10.288 8.697 11.424 1.00 22.41 C ATOM 1664 CD1 TYR A 110 -11.128 8.002 12.292 1.00 3.41 C ATOM 1665 CD2 TYR A 110 -8.920 8.471 11.522 1.00 2.50 C ATOM 1666 CE1 TYR A 110 -10.617 7.122 13.223 1.00 31.45 C ATOM 1667 CE2 TYR A 110 -8.406 7.587 12.446 1.00 61.35 C ATOM 1668 CZ TYR A 110 -9.258 6.916 13.294 1.00 5.31 C ATOM 1669 OH TYR A 110 -8.747 6.022 14.206 1.00 53.54 O ATOM 0 H TYR A 110 -11.074 7.611 8.874 1.00 2.34 H new ATOM 0 HA TYR A 110 -12.869 9.053 10.557 1.00 64.10 H new ATOM 0 HB2 TYR A 110 -10.101 9.772 9.586 1.00 14.33 H new ATOM 0 HB3 TYR A 110 -10.999 10.622 10.828 1.00 14.33 H new ATOM 0 HD1 TYR A 110 -12.196 8.155 12.235 1.00 3.41 H new ATOM 0 HD2 TYR A 110 -8.247 8.998 10.862 1.00 2.50 H new ATOM 0 HE1 TYR A 110 -11.281 6.597 13.894 1.00 31.45 H new ATOM 0 HE2 TYR A 110 -7.340 7.422 12.505 1.00 61.35 H new ATOM 0 HH TYR A 110 -7.771 5.994 14.125 1.00 53.54 H new ATOM 1679 N ALA A 111 -12.291 10.175 7.519 1.00 33.22 N ATOM 1680 CA ALA A 111 -12.804 11.094 6.509 1.00 55.04 C ATOM 1681 C ALA A 111 -14.290 10.832 6.227 1.00 14.25 C ATOM 1682 O ALA A 111 -15.028 11.725 5.851 1.00 3.01 O ATOM 1683 CB ALA A 111 -11.995 10.987 5.225 1.00 65.30 C ATOM 0 H ALA A 111 -11.598 9.509 7.176 1.00 33.22 H new ATOM 0 HA ALA A 111 -12.706 12.107 6.899 1.00 55.04 H new ATOM 0 HB1 ALA A 111 -12.394 11.681 4.485 1.00 65.30 H new ATOM 0 HB2 ALA A 111 -10.953 11.234 5.430 1.00 65.30 H new ATOM 0 HB3 ALA A 111 -12.057 9.969 4.839 1.00 65.30 H new ATOM 1689 N ASN A 112 -14.696 9.582 6.372 1.00 72.50 N ATOM 1690 CA ASN A 112 -16.086 9.181 6.137 1.00 60.32 C ATOM 1691 C ASN A 112 -17.009 9.536 7.292 1.00 12.45 C ATOM 1692 O ASN A 112 -18.201 9.780 7.082 1.00 2.44 O ATOM 1693 CB ASN A 112 -16.213 7.684 5.772 1.00 72.43 C ATOM 1694 CG ASN A 112 -15.764 7.342 4.342 1.00 12.53 C ATOM 1695 OD1 ASN A 112 -14.827 8.086 3.803 1.00 62.02 O flip ATOM 1696 ND2 ASN A 112 -16.264 6.407 3.733 1.00 11.32 N flip ATOM 0 H ASN A 112 -14.083 8.817 6.653 1.00 72.50 H new ATOM 0 HA ASN A 112 -16.413 9.762 5.275 1.00 60.32 H new ATOM 0 HB2 ASN A 112 -15.621 7.099 6.476 1.00 72.43 H new ATOM 0 HB3 ASN A 112 -17.252 7.378 5.897 1.00 72.43 H new ATOM 0 HD21 ASN A 112 -16.991 5.843 4.173 1.00 11.32 H new ATOM 0 HD22 ASN A 112 -15.954 6.191 2.785 1.00 11.32 H new