USER MOD reduce.3.24.130724 H: found=0, std=0, add=1230, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1230 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 94 SER OG : rot 180:sc= -0.0678 USER MOD Set 1.2: A 117 HIS : no HD1:sc= -0.0351 X(o=-0.1,f=-0.068) USER MOD Set 2.1: A 33 ASN : amide:sc= -3.08! C(o=-3.4!,f=-13!) USER MOD Set 2.2: A 84 ASN : amide:sc= -0.335! C(o=-3.4!,f=-9.2!) USER MOD Single : A 1 ASN : amide:sc= -1.74 K(o=-1.7,f=-4!) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0.226 (180deg=0.226) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -6.17! C(o=-6.2!,f=-10!) USER MOD Single : A 9 SER OG : rot 41:sc= 0.123 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 177:sc= 0.401 (180deg=0.358) USER MOD Single : A 17 LYS NZ :NH3+ -172:sc=-0.000612 (180deg=-0.132) USER MOD Single : A 18 THR OG1 : rot -77:sc= 0.51 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 82:sc= 1.21 USER MOD Single : A 34 ASN : amide:sc= -0.655 K(o=-0.65,f=-6.4!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0331 USER MOD Single : A 38 THR OG1 : rot 30:sc= 0.753 USER MOD Single : A 39 LYS NZ :NH3+ -116:sc= 0.449 (180deg=-0.455) USER MOD Single : A 48 LYS NZ :NH3+ 179:sc= 0.395 (180deg=0.331) USER MOD Single : A 49 LYS NZ :NH3+ -168:sc=-0.00895 (180deg=-0.196) USER MOD Single : A 54 TYR OH : rot -3:sc= 0.00338 USER MOD Single : A 59 GLN : amide:sc= -5.11! C(o=-5.1!,f=-5.1!) USER MOD Single : A 63 HIS : no HD1:sc= -2.78! C(o=-2.8!,f=-3.3!) USER MOD Single : A 64 THR OG1 : rot -115:sc= -0.172 USER MOD Single : A 70 LYS NZ :NH3+ -158:sc= 1.19 (180deg=0.715) USER MOD Single : A 76 THR OG1 : rot -101:sc= 1.2 USER MOD Single : A 93 ASN : amide:sc= 0.949 K(o=0.95,f=-0.00029) USER MOD Single : A 95 SER OG : rot -90:sc= -0.756 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -1.2! K(o=-1.2!,f=-0.0076) USER MOD Single : A 107 LYS NZ :NH3+ 146:sc= -0.713 (180deg=-1.46) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot -3:sc= 0.75 USER MOD Single : A 115 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-6.4!) USER MOD Single : A 116 THR OG1 : rot 43:sc= 0.284 USER MOD Single : A 121 MET CE :methyl 139:sc= -2.68! (180deg=-5.66!) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.231 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 HIS : no HE2:sc= 0.446 K(o=0.45,f=-4.4!) USER MOD Single : A 127 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0142) USER MOD Single : A 131 ASN : amide:sc= -4.77! C(o=-4.8!,f=-10!) USER MOD Single : A 133 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 GLN : amide:sc= -0.0806 X(o=-0.081,f=-0.074) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 145 GLN : amide:sc= -3.38! C(o=-3.4!,f=-7.2!) USER MOD Single : A 147 LYS NZ :NH3+ 169:sc= 1.02 (180deg=0.903) USER MOD Single : A 154 LYS NZ :NH3+ -145:sc= 0.845 (180deg=-0.353) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 6.355 10.310 -8.173 1.00 1.65 N ATOM 2 CA ASN A 1 6.459 11.367 -7.138 1.00 1.32 C ATOM 3 C ASN A 1 7.556 11.019 -6.131 1.00 1.24 C ATOM 4 O ASN A 1 7.722 9.857 -5.770 1.00 1.61 O ATOM 5 CB ASN A 1 5.105 11.565 -6.433 1.00 1.23 C ATOM 6 CG ASN A 1 4.392 10.264 -6.108 1.00 1.26 C ATOM 7 OD1 ASN A 1 5.011 9.217 -5.938 1.00 1.66 O ATOM 8 ND2 ASN A 1 3.073 10.327 -6.020 1.00 1.42 N ATOM 0 H1 ASN A 1 5.606 10.560 -8.850 1.00 1.65 H new ATOM 0 H2 ASN A 1 7.262 10.226 -8.675 1.00 1.65 H new ATOM 0 H3 ASN A 1 6.124 9.403 -7.720 1.00 1.65 H new ATOM 0 HA ASN A 1 6.728 12.306 -7.622 1.00 1.32 H new ATOM 0 HB2 ASN A 1 5.264 12.123 -5.510 1.00 1.23 H new ATOM 0 HB3 ASN A 1 4.461 12.174 -7.067 1.00 1.23 H new ATOM 0 HD21 ASN A 1 2.536 9.487 -5.804 1.00 1.42 H new ATOM 0 HD22 ASN A 1 2.594 11.215 -6.168 1.00 1.42 H new ATOM 17 N TYR A 2 8.329 12.027 -5.714 1.00 1.16 N ATOM 18 CA TYR A 2 9.427 11.824 -4.759 1.00 1.12 C ATOM 19 C TYR A 2 9.986 13.148 -4.240 1.00 1.22 C ATOM 20 O TYR A 2 9.984 13.389 -3.038 1.00 1.20 O ATOM 21 CB TYR A 2 10.555 10.957 -5.354 1.00 1.31 C ATOM 22 CG TYR A 2 10.876 11.190 -6.823 1.00 1.67 C ATOM 23 CD1 TYR A 2 11.642 12.282 -7.214 1.00 2.21 C ATOM 24 CD2 TYR A 2 10.393 10.345 -7.814 1.00 1.84 C ATOM 25 CE1 TYR A 2 11.920 12.521 -8.544 1.00 2.90 C ATOM 26 CE2 TYR A 2 10.672 10.576 -9.148 1.00 2.43 C ATOM 27 CZ TYR A 2 11.492 11.566 -9.510 1.00 2.97 C ATOM 28 OH TYR A 2 11.709 11.908 -10.832 1.00 3.73 O ATOM 0 H TYR A 2 8.216 12.993 -6.022 1.00 1.16 H new ATOM 0 HA TYR A 2 9.001 11.286 -3.912 1.00 1.12 H new ATOM 0 HB2 TYR A 2 11.462 11.128 -4.774 1.00 1.31 H new ATOM 0 HB3 TYR A 2 10.287 9.909 -5.224 1.00 1.31 H new ATOM 0 HD1 TYR A 2 12.027 12.956 -6.463 1.00 2.21 H new ATOM 0 HD2 TYR A 2 9.789 9.493 -7.538 1.00 1.84 H new ATOM 0 HE1 TYR A 2 12.450 13.412 -8.846 1.00 2.90 H new ATOM 0 HE2 TYR A 2 10.223 9.950 -9.905 1.00 2.43 H new ATOM 0 HH TYR A 2 11.383 11.190 -11.413 1.00 3.73 H new ATOM 38 N ASP A 3 10.441 14.009 -5.143 1.00 1.44 N ATOM 39 CA ASP A 3 11.097 15.258 -4.749 1.00 1.65 C ATOM 40 C ASP A 3 10.143 16.230 -4.052 1.00 1.53 C ATOM 41 O ASP A 3 10.406 16.633 -2.916 1.00 1.62 O ATOM 42 CB ASP A 3 11.766 15.933 -5.952 1.00 1.99 C ATOM 43 CG ASP A 3 12.388 17.270 -5.594 1.00 2.44 C ATOM 44 OD1 ASP A 3 13.361 17.293 -4.813 1.00 2.78 O ATOM 45 OD2 ASP A 3 11.918 18.307 -6.110 1.00 2.63 O ATOM 0 H ASP A 3 10.370 13.869 -6.151 1.00 1.44 H new ATOM 0 HA ASP A 3 11.866 14.988 -4.025 1.00 1.65 H new ATOM 0 HB2 ASP A 3 12.535 15.273 -6.354 1.00 1.99 H new ATOM 0 HB3 ASP A 3 11.028 16.079 -6.740 1.00 1.99 H new ATOM 50 N PRO A 4 9.025 16.628 -4.690 1.00 1.46 N ATOM 51 CA PRO A 4 8.115 17.589 -4.096 1.00 1.45 C ATOM 52 C PRO A 4 7.197 16.943 -3.064 1.00 1.27 C ATOM 53 O PRO A 4 7.392 17.117 -1.863 1.00 1.34 O ATOM 54 CB PRO A 4 7.323 18.147 -5.284 1.00 1.61 C ATOM 55 CG PRO A 4 7.733 17.355 -6.489 1.00 1.63 C ATOM 56 CD PRO A 4 8.549 16.187 -6.007 1.00 1.52 C ATOM 0 HA PRO A 4 8.645 18.368 -3.548 1.00 1.45 H new ATOM 0 HB2 PRO A 4 6.251 18.058 -5.110 1.00 1.61 H new ATOM 0 HB3 PRO A 4 7.536 19.206 -5.427 1.00 1.61 H new ATOM 0 HG2 PRO A 4 6.856 17.010 -7.037 1.00 1.63 H new ATOM 0 HG3 PRO A 4 8.315 17.972 -7.174 1.00 1.63 H new ATOM 0 HD2 PRO A 4 7.949 15.280 -5.935 1.00 1.52 H new ATOM 0 HD3 PRO A 4 9.377 15.969 -6.682 1.00 1.52 H new ATOM 64 N PHE A 5 6.216 16.186 -3.527 1.00 1.17 N ATOM 65 CA PHE A 5 5.307 15.493 -2.630 1.00 1.11 C ATOM 66 C PHE A 5 4.955 14.122 -3.181 1.00 0.94 C ATOM 67 O PHE A 5 4.454 14.004 -4.300 1.00 1.01 O ATOM 68 CB PHE A 5 4.019 16.300 -2.415 1.00 1.40 C ATOM 69 CG PHE A 5 4.211 17.584 -1.656 1.00 1.63 C ATOM 70 CD1 PHE A 5 4.207 18.802 -2.316 1.00 1.75 C ATOM 71 CD2 PHE A 5 4.391 17.569 -0.282 1.00 2.34 C ATOM 72 CE1 PHE A 5 4.382 19.982 -1.620 1.00 2.39 C ATOM 73 CE2 PHE A 5 4.565 18.747 0.420 1.00 3.21 C ATOM 74 CZ PHE A 5 4.560 19.956 -0.251 1.00 3.19 C ATOM 0 H PHE A 5 6.029 16.036 -4.518 1.00 1.17 H new ATOM 0 HA PHE A 5 5.815 15.379 -1.672 1.00 1.11 H new ATOM 0 HB2 PHE A 5 3.581 16.528 -3.387 1.00 1.40 H new ATOM 0 HB3 PHE A 5 3.301 15.679 -1.879 1.00 1.40 H new ATOM 0 HD1 PHE A 5 4.066 18.829 -3.386 1.00 1.75 H new ATOM 0 HD2 PHE A 5 4.395 16.627 0.246 1.00 2.34 H new ATOM 0 HE1 PHE A 5 4.380 20.925 -2.146 1.00 2.39 H new ATOM 0 HE2 PHE A 5 4.705 18.723 1.491 1.00 3.21 H new ATOM 0 HZ PHE A 5 4.695 20.878 0.295 1.00 3.19 H new ATOM 84 N VAL A 6 5.248 13.087 -2.411 1.00 0.85 N ATOM 85 CA VAL A 6 4.767 11.756 -2.730 1.00 0.79 C ATOM 86 C VAL A 6 3.382 11.594 -2.133 1.00 0.69 C ATOM 87 O VAL A 6 3.218 11.608 -0.914 1.00 0.77 O ATOM 88 CB VAL A 6 5.685 10.643 -2.187 1.00 0.92 C ATOM 89 CG1 VAL A 6 5.218 9.283 -2.680 1.00 1.44 C ATOM 90 CG2 VAL A 6 7.131 10.889 -2.575 1.00 1.41 C ATOM 0 H VAL A 6 5.814 13.144 -1.564 1.00 0.85 H new ATOM 0 HA VAL A 6 4.751 11.656 -3.815 1.00 0.79 H new ATOM 0 HB VAL A 6 5.626 10.655 -1.099 1.00 0.92 H new ATOM 0 HG11 VAL A 6 5.877 8.508 -2.288 1.00 1.44 H new ATOM 0 HG12 VAL A 6 4.200 9.102 -2.337 1.00 1.44 H new ATOM 0 HG13 VAL A 6 5.243 9.263 -3.770 1.00 1.44 H new ATOM 0 HG21 VAL A 6 7.755 10.088 -2.178 1.00 1.41 H new ATOM 0 HG22 VAL A 6 7.217 10.912 -3.661 1.00 1.41 H new ATOM 0 HG23 VAL A 6 7.461 11.843 -2.164 1.00 1.41 H new ATOM 100 N ARG A 7 2.387 11.468 -2.981 1.00 0.64 N ATOM 101 CA ARG A 7 1.015 11.452 -2.523 1.00 0.56 C ATOM 102 C ARG A 7 0.188 10.461 -3.315 1.00 0.54 C ATOM 103 O ARG A 7 0.419 10.245 -4.502 1.00 0.64 O ATOM 104 CB ARG A 7 0.414 12.854 -2.658 1.00 0.57 C ATOM 105 CG ARG A 7 -1.099 12.909 -2.466 1.00 0.57 C ATOM 106 CD ARG A 7 -1.640 14.294 -2.779 1.00 0.71 C ATOM 107 NE ARG A 7 -2.822 14.244 -3.640 1.00 1.61 N ATOM 108 CZ ARG A 7 -3.820 15.124 -3.584 1.00 2.25 C ATOM 109 NH1 ARG A 7 -3.833 16.071 -2.654 1.00 2.26 N ATOM 110 NH2 ARG A 7 -4.822 15.046 -4.447 1.00 3.37 N ATOM 0 H ARG A 7 2.501 11.375 -3.990 1.00 0.64 H new ATOM 0 HA ARG A 7 1.004 11.145 -1.477 1.00 0.56 H new ATOM 0 HB2 ARG A 7 0.886 13.511 -1.927 1.00 0.57 H new ATOM 0 HB3 ARG A 7 0.658 13.248 -3.645 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -1.578 12.174 -3.113 1.00 0.57 H new ATOM 0 HG3 ARG A 7 -1.348 12.641 -1.439 1.00 0.57 H new ATOM 0 HD2 ARG A 7 -1.892 14.803 -1.848 1.00 0.71 H new ATOM 0 HD3 ARG A 7 -0.863 14.884 -3.265 1.00 0.71 H new ATOM 0 HE ARG A 7 -2.885 13.490 -4.324 1.00 1.61 H new ATOM 0 HH11 ARG A 7 -3.074 16.129 -1.975 1.00 2.26 H new ATOM 0 HH12 ARG A 7 -4.602 16.741 -2.619 1.00 2.26 H new ATOM 0 HH21 ARG A 7 -4.829 14.312 -5.155 1.00 3.37 H new ATOM 0 HH22 ARG A 7 -5.586 15.720 -4.404 1.00 3.37 H new ATOM 124 N HIS A 8 -0.766 9.847 -2.645 1.00 0.47 N ATOM 125 CA HIS A 8 -1.764 9.057 -3.330 1.00 0.46 C ATOM 126 C HIS A 8 -3.133 9.594 -2.992 1.00 0.39 C ATOM 127 O HIS A 8 -3.462 9.801 -1.830 1.00 0.39 O ATOM 128 CB HIS A 8 -1.589 7.564 -2.976 1.00 0.56 C ATOM 129 CG HIS A 8 -2.829 6.736 -2.753 1.00 0.45 C ATOM 130 ND1 HIS A 8 -2.904 5.775 -1.766 1.00 0.46 N ATOM 131 CD2 HIS A 8 -4.001 6.662 -3.426 1.00 0.79 C ATOM 132 CE1 HIS A 8 -4.060 5.147 -1.845 1.00 0.41 C ATOM 133 NE2 HIS A 8 -4.745 5.664 -2.843 1.00 0.76 N ATOM 0 H HIS A 8 -0.870 9.880 -1.631 1.00 0.47 H new ATOM 0 HA HIS A 8 -1.643 9.132 -4.411 1.00 0.46 H new ATOM 0 HB2 HIS A 8 -1.016 7.097 -3.777 1.00 0.56 H new ATOM 0 HB3 HIS A 8 -0.982 7.505 -2.073 1.00 0.56 H new ATOM 0 HD2 HIS A 8 -4.297 7.274 -4.265 1.00 0.79 H new ATOM 0 HE1 HIS A 8 -4.389 4.345 -1.201 1.00 0.41 H new ATOM 0 HE2 HIS A 8 -5.677 5.371 -3.136 1.00 0.76 H new ATOM 142 N SER A 9 -3.926 9.801 -4.017 1.00 0.42 N ATOM 143 CA SER A 9 -5.265 10.285 -3.843 1.00 0.40 C ATOM 144 C SER A 9 -6.222 9.488 -4.701 1.00 0.41 C ATOM 145 O SER A 9 -6.180 9.530 -5.930 1.00 0.53 O ATOM 146 CB SER A 9 -5.335 11.779 -4.149 1.00 0.52 C ATOM 147 OG SER A 9 -4.651 12.092 -5.352 1.00 1.28 O ATOM 0 H SER A 9 -3.658 9.638 -4.988 1.00 0.42 H new ATOM 0 HA SER A 9 -5.563 10.151 -2.803 1.00 0.40 H new ATOM 0 HB2 SER A 9 -6.377 12.087 -4.230 1.00 0.52 H new ATOM 0 HB3 SER A 9 -4.900 12.342 -3.324 1.00 0.52 H new ATOM 0 HG SER A 9 -4.838 11.403 -6.023 1.00 1.28 H new ATOM 153 N VAL A 10 -7.048 8.729 -4.024 1.00 0.35 N ATOM 154 CA VAL A 10 -7.959 7.809 -4.673 1.00 0.36 C ATOM 155 C VAL A 10 -9.403 8.036 -4.233 1.00 0.32 C ATOM 156 O VAL A 10 -9.658 8.416 -3.091 1.00 0.32 O ATOM 157 CB VAL A 10 -7.526 6.362 -4.359 1.00 0.45 C ATOM 158 CG1 VAL A 10 -8.718 5.473 -4.048 1.00 1.27 C ATOM 159 CG2 VAL A 10 -6.704 5.804 -5.507 1.00 1.18 C ATOM 0 H VAL A 10 -7.110 8.729 -3.006 1.00 0.35 H new ATOM 0 HA VAL A 10 -7.918 7.985 -5.748 1.00 0.36 H new ATOM 0 HB VAL A 10 -6.905 6.379 -3.464 1.00 0.45 H new ATOM 0 HG11 VAL A 10 -8.372 4.462 -3.832 1.00 1.27 H new ATOM 0 HG12 VAL A 10 -9.250 5.867 -3.182 1.00 1.27 H new ATOM 0 HG13 VAL A 10 -9.389 5.451 -4.907 1.00 1.27 H new ATOM 0 HG21 VAL A 10 -6.403 4.782 -5.276 1.00 1.18 H new ATOM 0 HG22 VAL A 10 -7.302 5.809 -6.419 1.00 1.18 H new ATOM 0 HG23 VAL A 10 -5.816 6.420 -5.652 1.00 1.18 H new ATOM 169 N THR A 11 -10.337 7.807 -5.154 1.00 0.35 N ATOM 170 CA THR A 11 -11.753 7.835 -4.834 1.00 0.34 C ATOM 171 C THR A 11 -12.314 6.411 -4.760 1.00 0.33 C ATOM 172 O THR A 11 -12.317 5.678 -5.747 1.00 0.43 O ATOM 173 CB THR A 11 -12.546 8.648 -5.881 1.00 0.46 C ATOM 174 OG1 THR A 11 -12.035 9.985 -5.954 1.00 0.57 O ATOM 175 CG2 THR A 11 -14.026 8.690 -5.532 1.00 0.51 C ATOM 0 H THR A 11 -10.132 7.599 -6.131 1.00 0.35 H new ATOM 0 HA THR A 11 -11.862 8.318 -3.863 1.00 0.34 H new ATOM 0 HB THR A 11 -12.430 8.158 -6.848 1.00 0.46 H new ATOM 0 HG1 THR A 11 -12.542 10.493 -6.621 1.00 0.57 H new ATOM 0 HG21 THR A 11 -14.561 9.268 -6.285 1.00 0.51 H new ATOM 0 HG22 THR A 11 -14.422 7.675 -5.505 1.00 0.51 H new ATOM 0 HG23 THR A 11 -14.156 9.157 -4.556 1.00 0.51 H new ATOM 183 N VAL A 12 -12.775 6.032 -3.580 1.00 0.29 N ATOM 184 CA VAL A 12 -13.358 4.720 -3.342 1.00 0.35 C ATOM 185 C VAL A 12 -14.879 4.804 -3.419 1.00 0.32 C ATOM 186 O VAL A 12 -15.474 5.781 -2.961 1.00 0.36 O ATOM 187 CB VAL A 12 -12.902 4.197 -1.962 1.00 0.43 C ATOM 188 CG1 VAL A 12 -13.832 3.131 -1.403 1.00 0.91 C ATOM 189 CG2 VAL A 12 -11.488 3.669 -2.087 1.00 0.81 C ATOM 0 H VAL A 12 -12.756 6.630 -2.754 1.00 0.29 H new ATOM 0 HA VAL A 12 -13.018 4.023 -4.108 1.00 0.35 H new ATOM 0 HB VAL A 12 -12.933 5.025 -1.253 1.00 0.43 H new ATOM 0 HG11 VAL A 12 -13.464 2.800 -0.432 1.00 0.91 H new ATOM 0 HG12 VAL A 12 -14.834 3.546 -1.289 1.00 0.91 H new ATOM 0 HG13 VAL A 12 -13.866 2.283 -2.087 1.00 0.91 H new ATOM 0 HG21 VAL A 12 -11.152 3.296 -1.119 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -11.465 2.859 -2.816 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -10.828 4.472 -2.416 1.00 0.81 H new ATOM 199 N LYS A 13 -15.502 3.785 -4.002 1.00 0.34 N ATOM 200 CA LYS A 13 -16.921 3.842 -4.341 1.00 0.38 C ATOM 201 C LYS A 13 -17.760 2.977 -3.406 1.00 0.31 C ATOM 202 O LYS A 13 -18.921 2.691 -3.697 1.00 0.37 O ATOM 203 CB LYS A 13 -17.140 3.350 -5.775 1.00 0.58 C ATOM 204 CG LYS A 13 -15.948 3.543 -6.705 1.00 0.68 C ATOM 205 CD LYS A 13 -15.580 5.007 -6.887 1.00 0.97 C ATOM 206 CE LYS A 13 -14.544 5.174 -7.987 1.00 0.88 C ATOM 207 NZ LYS A 13 -15.032 4.656 -9.295 1.00 0.98 N ATOM 0 H LYS A 13 -15.046 2.907 -4.250 1.00 0.34 H new ATOM 0 HA LYS A 13 -17.233 4.881 -4.239 1.00 0.38 H new ATOM 0 HB2 LYS A 13 -17.393 2.290 -5.746 1.00 0.58 H new ATOM 0 HB3 LYS A 13 -18.000 3.871 -6.196 1.00 0.58 H new ATOM 0 HG2 LYS A 13 -15.089 3.003 -6.306 1.00 0.68 H new ATOM 0 HG3 LYS A 13 -16.176 3.106 -7.677 1.00 0.68 H new ATOM 0 HD2 LYS A 13 -16.473 5.583 -7.132 1.00 0.97 H new ATOM 0 HD3 LYS A 13 -15.190 5.407 -5.951 1.00 0.97 H new ATOM 0 HE2 LYS A 13 -14.288 6.229 -8.087 1.00 0.88 H new ATOM 0 HE3 LYS A 13 -13.630 4.650 -7.707 1.00 0.88 H new ATOM 0 HZ1 LYS A 13 -14.316 4.835 -10.028 1.00 0.98 H new ATOM 0 HZ2 LYS A 13 -15.204 3.633 -9.221 1.00 0.98 H new ATOM 0 HZ3 LYS A 13 -15.917 5.138 -9.551 1.00 0.98 H new ATOM 221 N ALA A 14 -17.190 2.563 -2.288 1.00 0.29 N ATOM 222 CA ALA A 14 -17.884 1.635 -1.404 1.00 0.30 C ATOM 223 C ALA A 14 -17.477 1.838 0.048 1.00 0.28 C ATOM 224 O ALA A 14 -17.373 0.878 0.816 1.00 0.31 O ATOM 225 CB ALA A 14 -17.623 0.203 -1.843 1.00 0.36 C ATOM 0 H ALA A 14 -16.263 2.848 -1.971 1.00 0.29 H new ATOM 0 HA ALA A 14 -18.953 1.836 -1.473 1.00 0.30 H new ATOM 0 HB1 ALA A 14 -18.146 -0.483 -1.176 1.00 0.36 H new ATOM 0 HB2 ALA A 14 -17.983 0.064 -2.862 1.00 0.36 H new ATOM 0 HB3 ALA A 14 -16.553 0.000 -1.806 1.00 0.36 H new ATOM 231 N ASP A 15 -17.268 3.097 0.406 1.00 0.28 N ATOM 232 CA ASP A 15 -16.976 3.502 1.782 1.00 0.31 C ATOM 233 C ASP A 15 -15.569 3.090 2.232 1.00 0.28 C ATOM 234 O ASP A 15 -14.873 2.309 1.575 1.00 0.29 O ATOM 235 CB ASP A 15 -18.040 2.954 2.748 1.00 0.39 C ATOM 236 CG ASP A 15 -17.826 3.400 4.181 1.00 0.61 C ATOM 237 OD1 ASP A 15 -17.437 2.565 5.018 1.00 0.91 O ATOM 238 OD2 ASP A 15 -18.076 4.583 4.480 1.00 0.76 O ATOM 0 H ASP A 15 -17.296 3.876 -0.252 1.00 0.28 H new ATOM 0 HA ASP A 15 -17.008 4.591 1.804 1.00 0.31 H new ATOM 0 HB2 ASP A 15 -19.026 3.279 2.416 1.00 0.39 H new ATOM 0 HB3 ASP A 15 -18.033 1.865 2.708 1.00 0.39 H new ATOM 243 N ARG A 16 -15.177 3.639 3.369 1.00 0.28 N ATOM 244 CA ARG A 16 -13.849 3.484 3.924 1.00 0.27 C ATOM 245 C ARG A 16 -13.586 2.043 4.343 1.00 0.28 C ATOM 246 O ARG A 16 -12.434 1.612 4.417 1.00 0.28 O ATOM 247 CB ARG A 16 -13.727 4.425 5.120 1.00 0.29 C ATOM 248 CG ARG A 16 -12.313 4.804 5.477 1.00 0.28 C ATOM 249 CD ARG A 16 -12.290 6.098 6.274 1.00 0.40 C ATOM 250 NE ARG A 16 -13.122 6.023 7.471 1.00 0.93 N ATOM 251 CZ ARG A 16 -12.839 6.668 8.597 1.00 1.32 C ATOM 252 NH1 ARG A 16 -11.835 7.532 8.617 1.00 1.37 N ATOM 253 NH2 ARG A 16 -13.569 6.471 9.689 1.00 1.88 N ATOM 0 H ARG A 16 -15.790 4.218 3.943 1.00 0.28 H new ATOM 0 HA ARG A 16 -13.104 3.733 3.168 1.00 0.27 H new ATOM 0 HB2 ARG A 16 -14.291 5.334 4.910 1.00 0.29 H new ATOM 0 HB3 ARG A 16 -14.193 3.954 5.986 1.00 0.29 H new ATOM 0 HG2 ARG A 16 -11.852 4.005 6.058 1.00 0.28 H new ATOM 0 HG3 ARG A 16 -11.722 4.920 4.569 1.00 0.28 H new ATOM 0 HD2 ARG A 16 -11.264 6.328 6.561 1.00 0.40 H new ATOM 0 HD3 ARG A 16 -12.636 6.917 5.644 1.00 0.40 H new ATOM 0 HE ARG A 16 -13.963 5.446 7.441 1.00 0.93 H new ATOM 0 HH11 ARG A 16 -11.287 7.697 7.773 1.00 1.37 H new ATOM 0 HH12 ARG A 16 -11.610 8.032 9.477 1.00 1.37 H new ATOM 0 HH21 ARG A 16 -14.354 5.820 9.667 1.00 1.88 H new ATOM 0 HH22 ARG A 16 -13.345 6.971 10.549 1.00 1.88 H new ATOM 267 N LYS A 17 -14.657 1.303 4.611 1.00 0.33 N ATOM 268 CA LYS A 17 -14.541 -0.097 4.996 1.00 0.39 C ATOM 269 C LYS A 17 -13.877 -0.906 3.887 1.00 0.35 C ATOM 270 O LYS A 17 -12.885 -1.595 4.122 1.00 0.37 O ATOM 271 CB LYS A 17 -15.919 -0.673 5.323 1.00 0.53 C ATOM 272 CG LYS A 17 -16.632 0.074 6.436 1.00 1.34 C ATOM 273 CD LYS A 17 -18.036 -0.456 6.659 1.00 1.70 C ATOM 274 CE LYS A 17 -18.821 0.440 7.604 1.00 2.46 C ATOM 275 NZ LYS A 17 -18.114 0.657 8.895 1.00 3.05 N ATOM 0 H LYS A 17 -15.615 1.651 4.568 1.00 0.33 H new ATOM 0 HA LYS A 17 -13.916 -0.159 5.887 1.00 0.39 H new ATOM 0 HB2 LYS A 17 -16.537 -0.651 4.425 1.00 0.53 H new ATOM 0 HB3 LYS A 17 -15.810 -1.719 5.609 1.00 0.53 H new ATOM 0 HG2 LYS A 17 -16.059 -0.015 7.359 1.00 1.34 H new ATOM 0 HG3 LYS A 17 -16.678 1.135 6.190 1.00 1.34 H new ATOM 0 HD2 LYS A 17 -18.557 -0.526 5.704 1.00 1.70 H new ATOM 0 HD3 LYS A 17 -17.985 -1.465 7.069 1.00 1.70 H new ATOM 0 HE2 LYS A 17 -19.000 1.402 7.124 1.00 2.46 H new ATOM 0 HE3 LYS A 17 -19.797 -0.006 7.797 1.00 2.46 H new ATOM 0 HZ1 LYS A 17 -18.742 1.158 9.555 1.00 3.05 H new ATOM 0 HZ2 LYS A 17 -17.846 -0.261 9.302 1.00 3.05 H new ATOM 0 HZ3 LYS A 17 -17.259 1.226 8.731 1.00 3.05 H new ATOM 289 N THR A 18 -14.404 -0.797 2.671 1.00 0.35 N ATOM 290 CA THR A 18 -13.834 -1.514 1.539 1.00 0.36 C ATOM 291 C THR A 18 -12.471 -0.942 1.179 1.00 0.33 C ATOM 292 O THR A 18 -11.576 -1.673 0.759 1.00 0.37 O ATOM 293 CB THR A 18 -14.747 -1.458 0.301 1.00 0.41 C ATOM 294 OG1 THR A 18 -15.038 -0.096 -0.025 1.00 1.11 O ATOM 295 CG2 THR A 18 -16.040 -2.225 0.541 1.00 0.80 C ATOM 0 H THR A 18 -15.218 -0.224 2.447 1.00 0.35 H new ATOM 0 HA THR A 18 -13.732 -2.556 1.842 1.00 0.36 H new ATOM 0 HB THR A 18 -14.225 -1.926 -0.533 1.00 0.41 H new ATOM 0 HG1 THR A 18 -15.709 0.253 0.598 1.00 1.11 H new ATOM 0 HG21 THR A 18 -16.667 -2.169 -0.349 1.00 0.80 H new ATOM 0 HG22 THR A 18 -15.809 -3.268 0.758 1.00 0.80 H new ATOM 0 HG23 THR A 18 -16.571 -1.787 1.386 1.00 0.80 H new ATOM 303 N ALA A 19 -12.326 0.370 1.346 1.00 0.29 N ATOM 304 CA ALA A 19 -11.058 1.039 1.090 1.00 0.29 C ATOM 305 C ALA A 19 -9.944 0.434 1.940 1.00 0.28 C ATOM 306 O ALA A 19 -8.896 0.050 1.425 1.00 0.32 O ATOM 307 CB ALA A 19 -11.187 2.530 1.358 1.00 0.31 C ATOM 0 H ALA A 19 -13.073 0.990 1.658 1.00 0.29 H new ATOM 0 HA ALA A 19 -10.798 0.895 0.041 1.00 0.29 H new ATOM 0 HB1 ALA A 19 -10.232 3.019 1.163 1.00 0.31 H new ATOM 0 HB2 ALA A 19 -11.951 2.952 0.705 1.00 0.31 H new ATOM 0 HB3 ALA A 19 -11.470 2.689 2.398 1.00 0.31 H new ATOM 313 N PHE A 20 -10.188 0.332 3.239 1.00 0.25 N ATOM 314 CA PHE A 20 -9.217 -0.238 4.162 1.00 0.26 C ATOM 315 C PHE A 20 -9.035 -1.728 3.899 1.00 0.31 C ATOM 316 O PHE A 20 -7.910 -2.228 3.851 1.00 0.33 O ATOM 317 CB PHE A 20 -9.668 0.000 5.606 1.00 0.28 C ATOM 318 CG PHE A 20 -8.834 -0.706 6.639 1.00 0.30 C ATOM 319 CD1 PHE A 20 -7.593 -0.206 7.005 1.00 0.33 C ATOM 320 CD2 PHE A 20 -9.287 -1.868 7.241 1.00 0.34 C ATOM 321 CE1 PHE A 20 -6.822 -0.853 7.951 1.00 0.37 C ATOM 322 CE2 PHE A 20 -8.519 -2.518 8.188 1.00 0.38 C ATOM 323 CZ PHE A 20 -7.300 -2.011 8.556 1.00 0.38 C ATOM 0 H PHE A 20 -11.055 0.639 3.679 1.00 0.25 H new ATOM 0 HA PHE A 20 -8.257 0.253 4.006 1.00 0.26 H new ATOM 0 HB2 PHE A 20 -9.647 1.071 5.809 1.00 0.28 H new ATOM 0 HB3 PHE A 20 -10.704 -0.324 5.709 1.00 0.28 H new ATOM 0 HD1 PHE A 20 -7.225 0.699 6.545 1.00 0.33 H new ATOM 0 HD2 PHE A 20 -10.251 -2.271 6.967 1.00 0.34 H new ATOM 0 HE1 PHE A 20 -5.852 -0.462 8.220 1.00 0.37 H new ATOM 0 HE2 PHE A 20 -8.881 -3.430 8.640 1.00 0.38 H new ATOM 0 HZ PHE A 20 -6.712 -2.509 9.313 1.00 0.38 H new ATOM 333 N LYS A 21 -10.149 -2.428 3.719 1.00 0.35 N ATOM 334 CA LYS A 21 -10.121 -3.860 3.461 1.00 0.42 C ATOM 335 C LYS A 21 -9.293 -4.180 2.224 1.00 0.44 C ATOM 336 O LYS A 21 -8.415 -5.036 2.268 1.00 0.49 O ATOM 337 CB LYS A 21 -11.544 -4.404 3.308 1.00 0.49 C ATOM 338 CG LYS A 21 -11.618 -5.778 2.657 1.00 0.64 C ATOM 339 CD LYS A 21 -12.888 -6.516 3.050 1.00 1.24 C ATOM 340 CE LYS A 21 -12.922 -6.811 4.545 1.00 1.79 C ATOM 341 NZ LYS A 21 -14.186 -7.476 4.956 1.00 2.39 N ATOM 0 H LYS A 21 -11.085 -2.024 3.747 1.00 0.35 H new ATOM 0 HA LYS A 21 -9.650 -4.346 4.315 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -12.010 -4.455 4.292 1.00 0.49 H new ATOM 0 HB3 LYS A 21 -12.128 -3.701 2.715 1.00 0.49 H new ATOM 0 HG2 LYS A 21 -11.580 -5.670 1.573 1.00 0.64 H new ATOM 0 HG3 LYS A 21 -10.749 -6.367 2.950 1.00 0.64 H new ATOM 0 HD2 LYS A 21 -13.757 -5.918 2.776 1.00 1.24 H new ATOM 0 HD3 LYS A 21 -12.955 -7.450 2.492 1.00 1.24 H new ATOM 0 HE2 LYS A 21 -12.077 -7.447 4.808 1.00 1.79 H new ATOM 0 HE3 LYS A 21 -12.806 -5.880 5.100 1.00 1.79 H new ATOM 0 HZ1 LYS A 21 -14.166 -7.658 5.980 1.00 2.39 H new ATOM 0 HZ2 LYS A 21 -14.992 -6.859 4.730 1.00 2.39 H new ATOM 0 HZ3 LYS A 21 -14.286 -8.377 4.446 1.00 2.39 H new ATOM 355 N THR A 22 -9.553 -3.476 1.137 1.00 0.43 N ATOM 356 CA THR A 22 -8.868 -3.737 -0.115 1.00 0.48 C ATOM 357 C THR A 22 -7.396 -3.323 -0.035 1.00 0.49 C ATOM 358 O THR A 22 -6.527 -3.959 -0.623 1.00 0.68 O ATOM 359 CB THR A 22 -9.565 -3.005 -1.282 1.00 0.48 C ATOM 360 OG1 THR A 22 -10.959 -3.340 -1.286 1.00 0.48 O ATOM 361 CG2 THR A 22 -8.955 -3.375 -2.629 1.00 0.58 C ATOM 0 H THR A 22 -10.235 -2.718 1.097 1.00 0.43 H new ATOM 0 HA THR A 22 -8.912 -4.810 -0.300 1.00 0.48 H new ATOM 0 HB THR A 22 -9.429 -1.934 -1.135 1.00 0.48 H new ATOM 0 HG1 THR A 22 -11.431 -2.785 -0.630 1.00 0.48 H new ATOM 0 HG21 THR A 22 -9.474 -2.838 -3.423 1.00 0.58 H new ATOM 0 HG22 THR A 22 -7.899 -3.103 -2.637 1.00 0.58 H new ATOM 0 HG23 THR A 22 -9.055 -4.448 -2.791 1.00 0.58 H new ATOM 369 N PHE A 23 -7.116 -2.276 0.722 1.00 0.37 N ATOM 370 CA PHE A 23 -5.758 -1.766 0.819 1.00 0.38 C ATOM 371 C PHE A 23 -4.897 -2.657 1.710 1.00 0.38 C ATOM 372 O PHE A 23 -3.717 -2.865 1.433 1.00 0.43 O ATOM 373 CB PHE A 23 -5.768 -0.332 1.361 1.00 0.37 C ATOM 374 CG PHE A 23 -4.460 0.393 1.192 1.00 0.39 C ATOM 375 CD1 PHE A 23 -4.133 0.982 -0.020 1.00 0.44 C ATOM 376 CD2 PHE A 23 -3.562 0.491 2.243 1.00 0.40 C ATOM 377 CE1 PHE A 23 -2.934 1.652 -0.180 1.00 0.48 C ATOM 378 CE2 PHE A 23 -2.362 1.158 2.089 1.00 0.45 C ATOM 379 CZ PHE A 23 -2.048 1.741 0.876 1.00 0.48 C ATOM 0 H PHE A 23 -7.805 -1.765 1.275 1.00 0.37 H new ATOM 0 HA PHE A 23 -5.325 -1.767 -0.181 1.00 0.38 H new ATOM 0 HB2 PHE A 23 -6.552 0.231 0.856 1.00 0.37 H new ATOM 0 HB3 PHE A 23 -6.025 -0.356 2.420 1.00 0.37 H new ATOM 0 HD1 PHE A 23 -4.823 0.917 -0.849 1.00 0.44 H new ATOM 0 HD2 PHE A 23 -3.803 0.040 3.194 1.00 0.40 H new ATOM 0 HE1 PHE A 23 -2.691 2.105 -1.130 1.00 0.48 H new ATOM 0 HE2 PHE A 23 -1.670 1.224 2.916 1.00 0.45 H new ATOM 0 HZ PHE A 23 -1.112 2.265 0.754 1.00 0.48 H new ATOM 389 N LEU A 24 -5.484 -3.188 2.778 1.00 0.35 N ATOM 390 CA LEU A 24 -4.701 -3.898 3.777 1.00 0.37 C ATOM 391 C LEU A 24 -5.125 -5.359 3.961 1.00 0.39 C ATOM 392 O LEU A 24 -4.291 -6.265 3.924 1.00 0.48 O ATOM 393 CB LEU A 24 -4.799 -3.169 5.115 1.00 0.40 C ATOM 394 CG LEU A 24 -3.680 -3.491 6.097 1.00 0.42 C ATOM 395 CD1 LEU A 24 -2.355 -2.985 5.551 1.00 0.50 C ATOM 396 CD2 LEU A 24 -3.970 -2.886 7.458 1.00 0.44 C ATOM 0 H LEU A 24 -6.485 -3.140 2.971 1.00 0.35 H new ATOM 0 HA LEU A 24 -3.673 -3.912 3.415 1.00 0.37 H new ATOM 0 HB2 LEU A 24 -4.803 -2.095 4.929 1.00 0.40 H new ATOM 0 HB3 LEU A 24 -5.754 -3.416 5.579 1.00 0.40 H new ATOM 0 HG LEU A 24 -3.618 -4.572 6.220 1.00 0.42 H new ATOM 0 HD11 LEU A 24 -1.558 -3.218 6.257 1.00 0.50 H new ATOM 0 HD12 LEU A 24 -2.147 -3.468 4.596 1.00 0.50 H new ATOM 0 HD13 LEU A 24 -2.409 -1.906 5.407 1.00 0.50 H new ATOM 0 HD21 LEU A 24 -3.158 -3.128 8.144 1.00 0.44 H new ATOM 0 HD22 LEU A 24 -4.055 -1.803 7.364 1.00 0.44 H new ATOM 0 HD23 LEU A 24 -4.905 -3.291 7.845 1.00 0.44 H new ATOM 408 N GLU A 25 -6.409 -5.596 4.182 1.00 0.40 N ATOM 409 CA GLU A 25 -6.869 -6.918 4.605 1.00 0.46 C ATOM 410 C GLU A 25 -6.871 -7.924 3.466 1.00 0.54 C ATOM 411 O GLU A 25 -6.281 -9.001 3.576 1.00 1.01 O ATOM 412 CB GLU A 25 -8.259 -6.824 5.225 1.00 0.51 C ATOM 413 CG GLU A 25 -8.299 -5.993 6.493 1.00 0.66 C ATOM 414 CD GLU A 25 -9.661 -6.029 7.150 1.00 0.91 C ATOM 415 OE1 GLU A 25 -9.790 -6.656 8.219 1.00 1.24 O ATOM 416 OE2 GLU A 25 -10.602 -5.421 6.604 1.00 1.18 O ATOM 0 H GLU A 25 -7.148 -4.900 4.078 1.00 0.40 H new ATOM 0 HA GLU A 25 -6.162 -7.277 5.353 1.00 0.46 H new ATOM 0 HB2 GLU A 25 -8.945 -6.394 4.496 1.00 0.51 H new ATOM 0 HB3 GLU A 25 -8.618 -7.829 5.447 1.00 0.51 H new ATOM 0 HG2 GLU A 25 -7.549 -6.362 7.192 1.00 0.66 H new ATOM 0 HG3 GLU A 25 -8.036 -4.961 6.259 1.00 0.66 H new ATOM 423 N GLY A 26 -7.498 -7.549 2.373 1.00 0.37 N ATOM 424 CA GLY A 26 -7.662 -8.449 1.237 1.00 0.45 C ATOM 425 C GLY A 26 -6.493 -8.372 0.284 1.00 0.48 C ATOM 426 O GLY A 26 -6.643 -8.580 -0.916 1.00 0.83 O ATOM 0 H GLY A 26 -7.907 -6.624 2.240 1.00 0.37 H new ATOM 0 HA2 GLY A 26 -7.770 -9.472 1.597 1.00 0.45 H new ATOM 0 HA3 GLY A 26 -8.580 -8.199 0.706 1.00 0.45 H new ATOM 430 N PHE A 27 -5.325 -8.113 0.846 1.00 0.42 N ATOM 431 CA PHE A 27 -4.124 -7.812 0.088 1.00 0.44 C ATOM 432 C PHE A 27 -3.865 -8.844 -1.020 1.00 0.47 C ATOM 433 O PHE A 27 -3.817 -8.487 -2.193 1.00 0.53 O ATOM 434 CB PHE A 27 -2.934 -7.712 1.057 1.00 0.48 C ATOM 435 CG PHE A 27 -1.646 -7.298 0.416 1.00 0.49 C ATOM 436 CD1 PHE A 27 -1.504 -6.028 -0.116 1.00 0.57 C ATOM 437 CD2 PHE A 27 -0.578 -8.176 0.346 1.00 0.63 C ATOM 438 CE1 PHE A 27 -0.319 -5.639 -0.704 1.00 0.65 C ATOM 439 CE2 PHE A 27 0.611 -7.792 -0.240 1.00 0.74 C ATOM 440 CZ PHE A 27 0.741 -6.540 -0.777 1.00 0.71 C ATOM 0 H PHE A 27 -5.183 -8.106 1.856 1.00 0.42 H new ATOM 0 HA PHE A 27 -4.259 -6.856 -0.418 1.00 0.44 H new ATOM 0 HB2 PHE A 27 -3.180 -6.998 1.843 1.00 0.48 H new ATOM 0 HB3 PHE A 27 -2.791 -8.679 1.539 1.00 0.48 H new ATOM 0 HD1 PHE A 27 -2.330 -5.334 -0.070 1.00 0.57 H new ATOM 0 HD2 PHE A 27 -0.676 -9.171 0.754 1.00 0.63 H new ATOM 0 HE1 PHE A 27 -0.213 -4.642 -1.105 1.00 0.65 H new ATOM 0 HE2 PHE A 27 1.441 -8.482 -0.275 1.00 0.74 H new ATOM 0 HZ PHE A 27 1.664 -6.251 -1.257 1.00 0.71 H new ATOM 450 N PRO A 28 -3.733 -10.142 -0.687 1.00 0.49 N ATOM 451 CA PRO A 28 -3.364 -11.160 -1.671 1.00 0.57 C ATOM 452 C PRO A 28 -4.548 -11.778 -2.426 1.00 0.59 C ATOM 453 O PRO A 28 -4.665 -13.006 -2.496 1.00 0.76 O ATOM 454 CB PRO A 28 -2.712 -12.202 -0.780 1.00 0.73 C ATOM 455 CG PRO A 28 -3.536 -12.180 0.457 1.00 0.74 C ATOM 456 CD PRO A 28 -3.904 -10.737 0.662 1.00 0.52 C ATOM 0 HA PRO A 28 -2.745 -10.751 -2.470 1.00 0.57 H new ATOM 0 HB2 PRO A 28 -2.718 -13.187 -1.247 1.00 0.73 H new ATOM 0 HB3 PRO A 28 -1.671 -11.955 -0.571 1.00 0.73 H new ATOM 0 HG2 PRO A 28 -4.425 -12.801 0.349 1.00 0.74 H new ATOM 0 HG3 PRO A 28 -2.978 -12.568 1.309 1.00 0.74 H new ATOM 0 HD2 PRO A 28 -4.928 -10.631 1.021 1.00 0.52 H new ATOM 0 HD3 PRO A 28 -3.257 -10.258 1.397 1.00 0.52 H new ATOM 464 N GLU A 29 -5.424 -10.956 -2.998 1.00 0.54 N ATOM 465 CA GLU A 29 -6.511 -11.497 -3.818 1.00 0.67 C ATOM 466 C GLU A 29 -6.954 -10.550 -4.935 1.00 0.69 C ATOM 467 O GLU A 29 -7.718 -10.951 -5.814 1.00 0.85 O ATOM 468 CB GLU A 29 -7.723 -11.861 -2.963 1.00 0.85 C ATOM 469 CG GLU A 29 -8.473 -10.664 -2.410 1.00 0.90 C ATOM 470 CD GLU A 29 -9.804 -11.063 -1.805 1.00 1.18 C ATOM 471 OE1 GLU A 29 -9.832 -11.460 -0.620 1.00 1.21 O ATOM 472 OE2 GLU A 29 -10.829 -10.993 -2.518 1.00 1.49 O ATOM 0 H GLU A 29 -5.408 -9.940 -2.915 1.00 0.54 H new ATOM 0 HA GLU A 29 -6.103 -12.394 -4.284 1.00 0.67 H new ATOM 0 HB2 GLU A 29 -8.409 -12.461 -3.561 1.00 0.85 H new ATOM 0 HB3 GLU A 29 -7.394 -12.485 -2.132 1.00 0.85 H new ATOM 0 HG2 GLU A 29 -7.863 -10.171 -1.653 1.00 0.90 H new ATOM 0 HG3 GLU A 29 -8.639 -9.939 -3.207 1.00 0.90 H new ATOM 479 N TRP A 30 -6.509 -9.301 -4.899 1.00 0.64 N ATOM 480 CA TRP A 30 -6.894 -8.342 -5.925 1.00 0.81 C ATOM 481 C TRP A 30 -6.125 -8.585 -7.220 1.00 0.66 C ATOM 482 O TRP A 30 -5.399 -9.569 -7.354 1.00 0.74 O ATOM 483 CB TRP A 30 -6.668 -6.925 -5.424 1.00 1.07 C ATOM 484 CG TRP A 30 -7.238 -6.700 -4.064 1.00 1.18 C ATOM 485 CD1 TRP A 30 -6.616 -6.099 -3.017 1.00 0.50 C ATOM 486 CD2 TRP A 30 -8.532 -7.102 -3.585 1.00 2.35 C ATOM 487 NE1 TRP A 30 -7.441 -6.085 -1.927 1.00 0.80 N ATOM 488 CE2 TRP A 30 -8.620 -6.695 -2.245 1.00 2.05 C ATOM 489 CE3 TRP A 30 -9.623 -7.758 -4.157 1.00 3.66 C ATOM 490 CZ2 TRP A 30 -9.750 -6.921 -1.465 1.00 3.01 C ATOM 491 CZ3 TRP A 30 -10.745 -7.984 -3.381 1.00 4.62 C ATOM 492 CH2 TRP A 30 -10.801 -7.564 -2.049 1.00 4.29 C ATOM 0 H TRP A 30 -5.888 -8.931 -4.179 1.00 0.64 H new ATOM 0 HA TRP A 30 -7.954 -8.474 -6.139 1.00 0.81 H new ATOM 0 HB2 TRP A 30 -5.598 -6.717 -5.405 1.00 1.07 H new ATOM 0 HB3 TRP A 30 -7.117 -6.220 -6.124 1.00 1.07 H new ATOM 0 HD1 TRP A 30 -5.616 -5.692 -3.042 1.00 0.50 H new ATOM 0 HE1 TRP A 30 -7.212 -5.682 -1.019 1.00 0.80 H new ATOM 0 HE3 TRP A 30 -9.592 -8.083 -5.186 1.00 3.66 H new ATOM 0 HZ2 TRP A 30 -9.793 -6.599 -0.435 1.00 3.01 H new ATOM 0 HZ3 TRP A 30 -11.594 -8.494 -3.812 1.00 4.62 H new ATOM 0 HH2 TRP A 30 -11.694 -7.752 -1.471 1.00 4.29 H new ATOM 503 N TRP A 31 -6.282 -7.674 -8.166 1.00 0.55 N ATOM 504 CA TRP A 31 -5.728 -7.848 -9.503 1.00 0.57 C ATOM 505 C TRP A 31 -4.319 -7.240 -9.705 1.00 0.60 C ATOM 506 O TRP A 31 -3.593 -7.711 -10.580 1.00 0.74 O ATOM 507 CB TRP A 31 -6.680 -7.234 -10.530 1.00 0.74 C ATOM 508 CG TRP A 31 -8.125 -7.500 -10.235 1.00 0.62 C ATOM 509 CD1 TRP A 31 -9.094 -6.569 -9.991 1.00 0.69 C ATOM 510 CD2 TRP A 31 -8.762 -8.780 -10.126 1.00 1.24 C ATOM 511 NE1 TRP A 31 -10.295 -7.188 -9.756 1.00 1.10 N ATOM 512 CE2 TRP A 31 -10.116 -8.546 -9.830 1.00 1.54 C ATOM 513 CE3 TRP A 31 -8.317 -10.102 -10.256 1.00 1.77 C ATOM 514 CZ2 TRP A 31 -11.029 -9.584 -9.661 1.00 2.31 C ATOM 515 CZ3 TRP A 31 -9.226 -11.129 -10.086 1.00 2.53 C ATOM 516 CH2 TRP A 31 -10.567 -10.865 -9.793 1.00 2.78 C ATOM 0 H TRP A 31 -6.792 -6.800 -8.034 1.00 0.55 H new ATOM 0 HA TRP A 31 -5.619 -8.924 -9.639 1.00 0.57 H new ATOM 0 HB2 TRP A 31 -6.517 -6.157 -10.568 1.00 0.74 H new ATOM 0 HB3 TRP A 31 -6.440 -7.627 -11.518 1.00 0.74 H new ATOM 0 HD1 TRP A 31 -8.937 -5.500 -9.984 1.00 0.69 H new ATOM 0 HE1 TRP A 31 -11.177 -6.716 -9.558 1.00 1.10 H new ATOM 0 HE3 TRP A 31 -7.283 -10.315 -10.485 1.00 1.77 H new ATOM 0 HZ2 TRP A 31 -12.066 -9.385 -9.434 1.00 2.31 H new ATOM 0 HZ3 TRP A 31 -8.895 -12.153 -10.181 1.00 2.53 H new ATOM 0 HH2 TRP A 31 -11.253 -11.690 -9.668 1.00 2.78 H new ATOM 527 N PRO A 32 -3.891 -6.191 -8.944 1.00 0.71 N ATOM 528 CA PRO A 32 -2.655 -5.468 -9.271 1.00 0.84 C ATOM 529 C PRO A 32 -1.378 -6.188 -8.823 1.00 0.85 C ATOM 530 O PRO A 32 -1.247 -7.403 -8.969 1.00 1.36 O ATOM 531 CB PRO A 32 -2.825 -4.155 -8.509 1.00 1.01 C ATOM 532 CG PRO A 32 -3.633 -4.509 -7.310 1.00 0.92 C ATOM 533 CD PRO A 32 -4.532 -5.639 -7.727 1.00 0.87 C ATOM 0 HA PRO A 32 -2.528 -5.359 -10.348 1.00 0.84 H new ATOM 0 HB2 PRO A 32 -1.860 -3.735 -8.225 1.00 1.01 H new ATOM 0 HB3 PRO A 32 -3.331 -3.407 -9.119 1.00 1.01 H new ATOM 0 HG2 PRO A 32 -2.990 -4.809 -6.482 1.00 0.92 H new ATOM 0 HG3 PRO A 32 -4.216 -3.654 -6.968 1.00 0.92 H new ATOM 0 HD2 PRO A 32 -4.612 -6.393 -6.944 1.00 0.87 H new ATOM 0 HD3 PRO A 32 -5.542 -5.287 -7.935 1.00 0.87 H new ATOM 541 N ASN A 33 -0.427 -5.406 -8.312 1.00 0.53 N ATOM 542 CA ASN A 33 0.861 -5.918 -7.836 1.00 0.57 C ATOM 543 C ASN A 33 0.680 -7.128 -6.922 1.00 0.67 C ATOM 544 O ASN A 33 1.331 -8.152 -7.106 1.00 0.72 O ATOM 545 CB ASN A 33 1.604 -4.799 -7.091 1.00 0.60 C ATOM 546 CG ASN A 33 2.849 -5.255 -6.349 1.00 0.82 C ATOM 547 OD1 ASN A 33 3.114 -4.795 -5.242 1.00 1.51 O ATOM 548 ND2 ASN A 33 3.649 -6.097 -6.968 1.00 0.76 N ATOM 0 H ASN A 33 -0.527 -4.396 -8.216 1.00 0.53 H new ATOM 0 HA ASN A 33 1.444 -6.242 -8.698 1.00 0.57 H new ATOM 0 HB2 ASN A 33 1.886 -4.027 -7.808 1.00 0.60 H new ATOM 0 HB3 ASN A 33 0.920 -4.338 -6.378 1.00 0.60 H new ATOM 0 HD21 ASN A 33 4.522 -6.388 -6.528 1.00 0.76 H new ATOM 0 HD22 ASN A 33 3.396 -6.459 -7.887 1.00 0.76 H new ATOM 555 N ASN A 34 -0.256 -7.020 -5.991 1.00 0.85 N ATOM 556 CA ASN A 34 -0.421 -8.006 -4.920 1.00 1.03 C ATOM 557 C ASN A 34 -1.108 -9.299 -5.383 1.00 1.40 C ATOM 558 O ASN A 34 -1.706 -10.016 -4.580 1.00 1.74 O ATOM 559 CB ASN A 34 -1.203 -7.386 -3.758 1.00 1.07 C ATOM 560 CG ASN A 34 -2.475 -6.674 -4.195 1.00 1.16 C ATOM 561 OD1 ASN A 34 -3.081 -7.003 -5.212 1.00 1.79 O ATOM 562 ND2 ASN A 34 -2.884 -5.678 -3.422 1.00 1.47 N ATOM 0 H ASN A 34 -0.924 -6.250 -5.952 1.00 0.85 H new ATOM 0 HA ASN A 34 0.581 -8.286 -4.595 1.00 1.03 H new ATOM 0 HB2 ASN A 34 -1.461 -8.169 -3.045 1.00 1.07 H new ATOM 0 HB3 ASN A 34 -0.561 -6.678 -3.235 1.00 1.07 H new ATOM 0 HD21 ASN A 34 -3.727 -5.157 -3.664 1.00 1.47 H new ATOM 0 HD22 ASN A 34 -2.356 -5.432 -2.585 1.00 1.47 H new ATOM 569 N PHE A 35 -0.987 -9.614 -6.664 1.00 1.51 N ATOM 570 CA PHE A 35 -1.563 -10.838 -7.211 1.00 1.98 C ATOM 571 C PHE A 35 -0.475 -11.906 -7.403 1.00 2.03 C ATOM 572 O PHE A 35 -0.735 -13.003 -7.898 1.00 2.51 O ATOM 573 CB PHE A 35 -2.263 -10.526 -8.543 1.00 2.40 C ATOM 574 CG PHE A 35 -3.030 -11.680 -9.130 1.00 2.92 C ATOM 575 CD1 PHE A 35 -2.643 -12.251 -10.334 1.00 3.19 C ATOM 576 CD2 PHE A 35 -4.134 -12.200 -8.473 1.00 3.49 C ATOM 577 CE1 PHE A 35 -3.342 -13.315 -10.870 1.00 3.91 C ATOM 578 CE2 PHE A 35 -4.838 -13.264 -9.005 1.00 4.27 C ATOM 579 CZ PHE A 35 -4.455 -13.802 -10.225 1.00 4.45 C ATOM 0 H PHE A 35 -0.494 -9.039 -7.347 1.00 1.51 H new ATOM 0 HA PHE A 35 -2.299 -11.232 -6.510 1.00 1.98 H new ATOM 0 HB2 PHE A 35 -2.947 -9.691 -8.393 1.00 2.40 H new ATOM 0 HB3 PHE A 35 -1.514 -10.199 -9.265 1.00 2.40 H new ATOM 0 HD1 PHE A 35 -1.784 -11.859 -10.859 1.00 3.19 H new ATOM 0 HD2 PHE A 35 -4.448 -11.769 -7.534 1.00 3.49 H new ATOM 0 HE1 PHE A 35 -3.015 -13.765 -11.796 1.00 3.91 H new ATOM 0 HE2 PHE A 35 -5.683 -13.675 -8.473 1.00 4.27 H new ATOM 0 HZ PHE A 35 -5.030 -14.602 -10.668 1.00 4.45 H new ATOM 589 N ARG A 36 0.746 -11.589 -6.984 1.00 1.65 N ATOM 590 CA ARG A 36 1.887 -12.474 -7.213 1.00 1.75 C ATOM 591 C ARG A 36 2.225 -13.280 -5.965 1.00 1.59 C ATOM 592 O ARG A 36 2.569 -12.716 -4.933 1.00 1.48 O ATOM 593 CB ARG A 36 3.102 -11.657 -7.644 1.00 1.73 C ATOM 594 CG ARG A 36 2.840 -10.777 -8.855 1.00 1.84 C ATOM 595 CD ARG A 36 2.347 -11.594 -10.034 1.00 2.25 C ATOM 596 NE ARG A 36 1.879 -10.747 -11.127 1.00 2.72 N ATOM 597 CZ ARG A 36 1.684 -11.179 -12.369 1.00 3.34 C ATOM 598 NH1 ARG A 36 1.953 -12.441 -12.691 1.00 3.59 N ATOM 599 NH2 ARG A 36 1.226 -10.346 -13.295 1.00 4.14 N ATOM 0 H ARG A 36 0.972 -10.729 -6.485 1.00 1.65 H new ATOM 0 HA ARG A 36 1.616 -13.172 -8.005 1.00 1.75 H new ATOM 0 HB2 ARG A 36 3.423 -11.031 -6.812 1.00 1.73 H new ATOM 0 HB3 ARG A 36 3.925 -12.335 -7.868 1.00 1.73 H new ATOM 0 HG2 ARG A 36 2.101 -10.017 -8.602 1.00 1.84 H new ATOM 0 HG3 ARG A 36 3.755 -10.252 -9.131 1.00 1.84 H new ATOM 0 HD2 ARG A 36 3.151 -12.237 -10.392 1.00 2.25 H new ATOM 0 HD3 ARG A 36 1.537 -12.248 -9.709 1.00 2.25 H new ATOM 0 HE ARG A 36 1.690 -9.765 -10.926 1.00 2.72 H new ATOM 0 HH11 ARG A 36 2.311 -13.083 -11.983 1.00 3.59 H new ATOM 0 HH12 ARG A 36 1.802 -12.767 -13.645 1.00 3.59 H new ATOM 0 HH21 ARG A 36 1.024 -9.376 -13.053 1.00 4.14 H new ATOM 0 HH22 ARG A 36 1.076 -10.676 -14.248 1.00 4.14 H new ATOM 613 N THR A 37 2.180 -14.598 -6.082 1.00 1.75 N ATOM 614 CA THR A 37 2.360 -15.477 -4.936 1.00 1.72 C ATOM 615 C THR A 37 3.829 -15.586 -4.540 1.00 1.37 C ATOM 616 O THR A 37 4.703 -15.750 -5.394 1.00 1.37 O ATOM 617 CB THR A 37 1.790 -16.875 -5.226 1.00 2.19 C ATOM 618 OG1 THR A 37 2.203 -17.310 -6.527 1.00 2.53 O ATOM 619 CG2 THR A 37 0.273 -16.868 -5.144 1.00 2.68 C ATOM 0 H THR A 37 2.020 -15.085 -6.964 1.00 1.75 H new ATOM 0 HA THR A 37 1.814 -15.038 -4.101 1.00 1.72 H new ATOM 0 HB THR A 37 2.174 -17.565 -4.474 1.00 2.19 H new ATOM 0 HG1 THR A 37 1.838 -18.202 -6.705 1.00 2.53 H new ATOM 0 HG21 THR A 37 -0.107 -17.868 -5.353 1.00 2.68 H new ATOM 0 HG22 THR A 37 -0.036 -16.564 -4.144 1.00 2.68 H new ATOM 0 HG23 THR A 37 -0.128 -16.167 -5.876 1.00 2.68 H new ATOM 627 N THR A 38 4.078 -15.467 -3.235 1.00 1.24 N ATOM 628 CA THR A 38 5.428 -15.426 -2.656 1.00 1.07 C ATOM 629 C THR A 38 6.284 -14.360 -3.327 1.00 1.09 C ATOM 630 O THR A 38 7.513 -14.452 -3.371 1.00 1.38 O ATOM 631 CB THR A 38 6.155 -16.794 -2.655 1.00 1.16 C ATOM 632 OG1 THR A 38 5.962 -17.499 -3.888 1.00 1.42 O ATOM 633 CG2 THR A 38 5.680 -17.646 -1.490 1.00 1.37 C ATOM 0 H THR A 38 3.338 -15.395 -2.537 1.00 1.24 H new ATOM 0 HA THR A 38 5.286 -15.161 -1.608 1.00 1.07 H new ATOM 0 HB THR A 38 7.221 -16.597 -2.545 1.00 1.16 H new ATOM 0 HG1 THR A 38 5.842 -16.856 -4.617 1.00 1.42 H new ATOM 0 HG21 THR A 38 6.200 -18.604 -1.504 1.00 1.37 H new ATOM 0 HG22 THR A 38 5.892 -17.131 -0.553 1.00 1.37 H new ATOM 0 HG23 THR A 38 4.607 -17.815 -1.577 1.00 1.37 H new ATOM 641 N LYS A 39 5.607 -13.345 -3.832 1.00 0.96 N ATOM 642 CA LYS A 39 6.253 -12.142 -4.315 1.00 1.09 C ATOM 643 C LYS A 39 5.650 -10.946 -3.600 1.00 1.22 C ATOM 644 O LYS A 39 6.375 -10.107 -3.069 1.00 1.97 O ATOM 645 CB LYS A 39 6.085 -11.984 -5.827 1.00 1.15 C ATOM 646 CG LYS A 39 6.883 -10.822 -6.406 1.00 1.49 C ATOM 647 CD LYS A 39 6.523 -10.561 -7.860 1.00 1.66 C ATOM 648 CE LYS A 39 7.465 -9.554 -8.505 1.00 2.28 C ATOM 649 NZ LYS A 39 8.876 -10.027 -8.502 1.00 2.90 N ATOM 0 H LYS A 39 4.591 -13.333 -3.918 1.00 0.96 H new ATOM 0 HA LYS A 39 7.321 -12.210 -4.109 1.00 1.09 H new ATOM 0 HB2 LYS A 39 6.393 -12.907 -6.318 1.00 1.15 H new ATOM 0 HB3 LYS A 39 5.029 -11.839 -6.055 1.00 1.15 H new ATOM 0 HG2 LYS A 39 6.696 -9.923 -5.818 1.00 1.49 H new ATOM 0 HG3 LYS A 39 7.949 -11.038 -6.328 1.00 1.49 H new ATOM 0 HD2 LYS A 39 6.557 -11.498 -8.416 1.00 1.66 H new ATOM 0 HD3 LYS A 39 5.499 -10.191 -7.920 1.00 1.66 H new ATOM 0 HE2 LYS A 39 7.148 -9.367 -9.531 1.00 2.28 H new ATOM 0 HE3 LYS A 39 7.400 -8.605 -7.973 1.00 2.28 H new ATOM 0 HZ1 LYS A 39 9.454 -9.392 -7.915 1.00 2.90 H new ATOM 0 HZ2 LYS A 39 8.918 -10.991 -8.114 1.00 2.90 H new ATOM 0 HZ3 LYS A 39 9.244 -10.029 -9.475 1.00 2.90 H new ATOM 663 N VAL A 40 4.312 -10.900 -3.585 1.00 1.04 N ATOM 664 CA VAL A 40 3.544 -9.836 -2.929 1.00 1.22 C ATOM 665 C VAL A 40 2.073 -10.239 -2.787 1.00 1.42 C ATOM 666 O VAL A 40 1.192 -9.384 -2.787 1.00 1.83 O ATOM 667 CB VAL A 40 3.589 -8.511 -3.727 1.00 1.30 C ATOM 668 CG1 VAL A 40 4.846 -7.713 -3.436 1.00 1.78 C ATOM 669 CG2 VAL A 40 3.477 -8.793 -5.212 1.00 1.40 C ATOM 0 H VAL A 40 3.728 -11.607 -4.032 1.00 1.04 H new ATOM 0 HA VAL A 40 4.002 -9.688 -1.951 1.00 1.22 H new ATOM 0 HB VAL A 40 2.740 -7.907 -3.408 1.00 1.30 H new ATOM 0 HG11 VAL A 40 4.835 -6.791 -4.018 1.00 1.78 H new ATOM 0 HG12 VAL A 40 4.886 -7.471 -2.374 1.00 1.78 H new ATOM 0 HG13 VAL A 40 5.722 -8.302 -3.707 1.00 1.78 H new ATOM 0 HG21 VAL A 40 3.510 -7.854 -5.764 1.00 1.40 H new ATOM 0 HG22 VAL A 40 4.306 -9.427 -5.525 1.00 1.40 H new ATOM 0 HG23 VAL A 40 2.534 -9.301 -5.416 1.00 1.40 H new ATOM 679 N GLY A 41 1.802 -11.531 -2.642 1.00 1.42 N ATOM 680 CA GLY A 41 0.422 -11.989 -2.679 1.00 1.82 C ATOM 681 C GLY A 41 0.245 -13.460 -2.336 1.00 1.67 C ATOM 682 O GLY A 41 -0.652 -14.121 -2.862 1.00 2.17 O ATOM 0 H GLY A 41 2.500 -12.261 -2.501 1.00 1.42 H new ATOM 0 HA2 GLY A 41 -0.166 -11.392 -1.983 1.00 1.82 H new ATOM 0 HA3 GLY A 41 0.017 -11.808 -3.675 1.00 1.82 H new ATOM 686 N ALA A 42 1.101 -13.983 -1.468 1.00 1.12 N ATOM 687 CA ALA A 42 0.916 -15.320 -0.914 1.00 1.00 C ATOM 688 C ALA A 42 -0.278 -15.309 0.049 1.00 1.01 C ATOM 689 O ALA A 42 -0.824 -14.242 0.309 1.00 1.09 O ATOM 690 CB ALA A 42 2.193 -15.769 -0.210 1.00 0.80 C ATOM 0 H ALA A 42 1.934 -13.500 -1.131 1.00 1.12 H new ATOM 0 HA ALA A 42 0.707 -16.030 -1.714 1.00 1.00 H new ATOM 0 HB1 ALA A 42 2.049 -16.768 0.202 1.00 0.80 H new ATOM 0 HB2 ALA A 42 3.016 -15.786 -0.925 1.00 0.80 H new ATOM 0 HB3 ALA A 42 2.427 -15.074 0.597 1.00 0.80 H new ATOM 696 N PRO A 43 -0.710 -16.477 0.587 1.00 1.05 N ATOM 697 CA PRO A 43 -1.876 -16.572 1.502 1.00 1.15 C ATOM 698 C PRO A 43 -1.709 -15.823 2.838 1.00 1.08 C ATOM 699 O PRO A 43 -2.099 -16.324 3.893 1.00 1.40 O ATOM 700 CB PRO A 43 -2.001 -18.080 1.767 1.00 1.29 C ATOM 701 CG PRO A 43 -1.272 -18.733 0.648 1.00 1.48 C ATOM 702 CD PRO A 43 -0.141 -17.811 0.314 1.00 1.11 C ATOM 0 HA PRO A 43 -2.750 -16.107 1.046 1.00 1.15 H new ATOM 0 HB2 PRO A 43 -1.566 -18.348 2.730 1.00 1.29 H new ATOM 0 HB3 PRO A 43 -3.046 -18.391 1.791 1.00 1.29 H new ATOM 0 HG2 PRO A 43 -0.903 -19.716 0.941 1.00 1.48 H new ATOM 0 HG3 PRO A 43 -1.925 -18.881 -0.212 1.00 1.48 H new ATOM 0 HD2 PRO A 43 0.737 -18.009 0.929 1.00 1.11 H new ATOM 0 HD3 PRO A 43 0.169 -17.913 -0.726 1.00 1.11 H new ATOM 710 N LEU A 44 -1.151 -14.626 2.786 1.00 0.87 N ATOM 711 CA LEU A 44 -1.059 -13.753 3.943 1.00 0.85 C ATOM 712 C LEU A 44 -1.111 -12.297 3.493 1.00 0.81 C ATOM 713 O LEU A 44 -2.156 -11.648 3.572 1.00 1.24 O ATOM 714 CB LEU A 44 0.225 -14.016 4.732 1.00 0.95 C ATOM 715 CG LEU A 44 0.484 -13.031 5.871 1.00 1.26 C ATOM 716 CD1 LEU A 44 -0.635 -13.089 6.901 1.00 1.75 C ATOM 717 CD2 LEU A 44 1.826 -13.316 6.518 1.00 1.66 C ATOM 0 H LEU A 44 -0.747 -14.231 1.937 1.00 0.87 H new ATOM 0 HA LEU A 44 -1.904 -13.960 4.599 1.00 0.85 H new ATOM 0 HB2 LEU A 44 0.183 -15.024 5.144 1.00 0.95 H new ATOM 0 HB3 LEU A 44 1.071 -13.987 4.045 1.00 0.95 H new ATOM 0 HG LEU A 44 0.507 -12.023 5.457 1.00 1.26 H new ATOM 0 HD11 LEU A 44 -0.429 -12.379 7.702 1.00 1.75 H new ATOM 0 HD12 LEU A 44 -1.582 -12.834 6.425 1.00 1.75 H new ATOM 0 HD13 LEU A 44 -0.697 -14.096 7.315 1.00 1.75 H new ATOM 0 HD21 LEU A 44 1.997 -12.607 7.328 1.00 1.66 H new ATOM 0 HD22 LEU A 44 1.829 -14.330 6.917 1.00 1.66 H new ATOM 0 HD23 LEU A 44 2.617 -13.216 5.775 1.00 1.66 H new ATOM 729 N GLY A 45 0.023 -11.782 3.037 1.00 0.61 N ATOM 730 CA GLY A 45 0.059 -10.457 2.471 1.00 0.75 C ATOM 731 C GLY A 45 0.306 -9.386 3.509 1.00 0.61 C ATOM 732 O GLY A 45 1.296 -8.664 3.443 1.00 0.61 O ATOM 0 H GLY A 45 0.921 -12.265 3.051 1.00 0.61 H new ATOM 0 HA2 GLY A 45 0.842 -10.411 1.714 1.00 0.75 H new ATOM 0 HA3 GLY A 45 -0.886 -10.256 1.966 1.00 0.75 H new ATOM 736 N VAL A 46 -0.594 -9.284 4.470 1.00 0.54 N ATOM 737 CA VAL A 46 -0.509 -8.248 5.489 1.00 0.45 C ATOM 738 C VAL A 46 -0.919 -8.784 6.853 1.00 0.47 C ATOM 739 O VAL A 46 -1.952 -9.445 6.982 1.00 0.60 O ATOM 740 CB VAL A 46 -1.406 -7.041 5.142 1.00 0.47 C ATOM 741 CG1 VAL A 46 -1.446 -6.054 6.293 1.00 0.52 C ATOM 742 CG2 VAL A 46 -0.930 -6.352 3.874 1.00 0.49 C ATOM 0 H VAL A 46 -1.396 -9.907 4.568 1.00 0.54 H new ATOM 0 HA VAL A 46 0.532 -7.925 5.522 1.00 0.45 H new ATOM 0 HB VAL A 46 -2.415 -7.415 4.969 1.00 0.47 H new ATOM 0 HG11 VAL A 46 -2.084 -5.211 6.027 1.00 0.52 H new ATOM 0 HG12 VAL A 46 -1.845 -6.546 7.180 1.00 0.52 H new ATOM 0 HG13 VAL A 46 -0.438 -5.695 6.500 1.00 0.52 H new ATOM 0 HG21 VAL A 46 -1.580 -5.506 3.654 1.00 0.49 H new ATOM 0 HG22 VAL A 46 0.091 -5.998 4.014 1.00 0.49 H new ATOM 0 HG23 VAL A 46 -0.959 -7.058 3.044 1.00 0.49 H new ATOM 752 N ASP A 47 -0.122 -8.474 7.865 1.00 0.41 N ATOM 753 CA ASP A 47 -0.441 -8.834 9.237 1.00 0.49 C ATOM 754 C ASP A 47 -0.937 -7.615 9.998 1.00 0.52 C ATOM 755 O ASP A 47 -0.179 -6.669 10.222 1.00 0.57 O ATOM 756 CB ASP A 47 0.778 -9.407 9.951 1.00 0.58 C ATOM 757 CG ASP A 47 0.472 -9.757 11.393 1.00 0.79 C ATOM 758 OD1 ASP A 47 -0.641 -10.243 11.663 1.00 1.11 O ATOM 759 OD2 ASP A 47 1.359 -9.584 12.250 1.00 0.95 O ATOM 0 H ASP A 47 0.758 -7.969 7.759 1.00 0.41 H new ATOM 0 HA ASP A 47 -1.222 -9.594 9.209 1.00 0.49 H new ATOM 0 HB2 ASP A 47 1.121 -10.298 9.426 1.00 0.58 H new ATOM 0 HB3 ASP A 47 1.592 -8.683 9.917 1.00 0.58 H new ATOM 764 N LYS A 48 -2.207 -7.633 10.376 1.00 0.63 N ATOM 765 CA LYS A 48 -2.814 -6.518 11.093 1.00 0.79 C ATOM 766 C LYS A 48 -2.476 -6.580 12.580 1.00 0.85 C ATOM 767 O LYS A 48 -2.631 -5.594 13.304 1.00 1.06 O ATOM 768 CB LYS A 48 -4.337 -6.498 10.899 1.00 1.01 C ATOM 769 CG LYS A 48 -4.774 -6.286 9.455 1.00 1.38 C ATOM 770 CD LYS A 48 -4.706 -7.573 8.649 1.00 1.34 C ATOM 771 CE LYS A 48 -4.696 -7.294 7.159 1.00 2.06 C ATOM 772 NZ LYS A 48 -4.500 -8.535 6.359 1.00 2.81 N ATOM 0 H LYS A 48 -2.841 -8.412 10.197 1.00 0.63 H new ATOM 0 HA LYS A 48 -2.403 -5.597 10.679 1.00 0.79 H new ATOM 0 HB2 LYS A 48 -4.751 -7.440 11.259 1.00 1.01 H new ATOM 0 HB3 LYS A 48 -4.761 -5.706 11.516 1.00 1.01 H new ATOM 0 HG2 LYS A 48 -5.793 -5.899 9.437 1.00 1.38 H new ATOM 0 HG3 LYS A 48 -4.139 -5.532 8.990 1.00 1.38 H new ATOM 0 HD2 LYS A 48 -3.809 -8.128 8.923 1.00 1.34 H new ATOM 0 HD3 LYS A 48 -5.559 -8.204 8.897 1.00 1.34 H new ATOM 0 HE2 LYS A 48 -5.636 -6.823 6.872 1.00 2.06 H new ATOM 0 HE3 LYS A 48 -3.901 -6.585 6.928 1.00 2.06 H new ATOM 0 HZ1 LYS A 48 -4.517 -8.301 5.346 1.00 2.81 H new ATOM 0 HZ2 LYS A 48 -3.583 -8.963 6.601 1.00 2.81 H new ATOM 0 HZ3 LYS A 48 -5.263 -9.209 6.571 1.00 2.81 H new ATOM 786 N LYS A 49 -2.011 -7.742 13.026 1.00 0.80 N ATOM 787 CA LYS A 49 -1.705 -7.960 14.423 1.00 0.97 C ATOM 788 C LYS A 49 -0.388 -7.290 14.797 1.00 1.14 C ATOM 789 O LYS A 49 -0.360 -6.387 15.632 1.00 1.32 O ATOM 790 CB LYS A 49 -1.652 -9.461 14.702 1.00 1.08 C ATOM 791 CG LYS A 49 -1.145 -9.803 16.084 1.00 1.35 C ATOM 792 CD LYS A 49 -1.197 -11.299 16.345 1.00 1.66 C ATOM 793 CE LYS A 49 -2.625 -11.826 16.306 1.00 2.40 C ATOM 794 NZ LYS A 49 -3.476 -11.213 17.363 1.00 3.17 N ATOM 0 H LYS A 49 -1.839 -8.551 12.428 1.00 0.80 H new ATOM 0 HA LYS A 49 -2.488 -7.513 15.036 1.00 0.97 H new ATOM 0 HB2 LYS A 49 -2.650 -9.881 14.576 1.00 1.08 H new ATOM 0 HB3 LYS A 49 -1.010 -9.937 13.961 1.00 1.08 H new ATOM 0 HG2 LYS A 49 -0.120 -9.449 16.194 1.00 1.35 H new ATOM 0 HG3 LYS A 49 -1.744 -9.282 16.831 1.00 1.35 H new ATOM 0 HD2 LYS A 49 -0.596 -11.820 15.600 1.00 1.66 H new ATOM 0 HD3 LYS A 49 -0.756 -11.515 17.318 1.00 1.66 H new ATOM 0 HE2 LYS A 49 -3.060 -11.622 15.327 1.00 2.40 H new ATOM 0 HE3 LYS A 49 -2.615 -12.909 16.431 1.00 2.40 H new ATOM 0 HZ1 LYS A 49 -4.371 -11.738 17.436 1.00 3.17 H new ATOM 0 HZ2 LYS A 49 -2.978 -11.250 18.275 1.00 3.17 H new ATOM 0 HZ3 LYS A 49 -3.675 -10.222 17.117 1.00 3.17 H new ATOM 808 N GLY A 50 0.696 -7.727 14.172 1.00 1.22 N ATOM 809 CA GLY A 50 1.982 -7.109 14.410 1.00 1.53 C ATOM 810 C GLY A 50 2.098 -5.784 13.695 1.00 1.14 C ATOM 811 O GLY A 50 2.552 -4.794 14.268 1.00 1.29 O ATOM 0 H GLY A 50 0.707 -8.498 13.505 1.00 1.22 H new ATOM 0 HA2 GLY A 50 2.123 -6.960 15.481 1.00 1.53 H new ATOM 0 HA3 GLY A 50 2.776 -7.776 14.074 1.00 1.53 H new ATOM 815 N GLY A 51 1.662 -5.760 12.444 1.00 0.77 N ATOM 816 CA GLY A 51 1.705 -4.542 11.669 1.00 0.65 C ATOM 817 C GLY A 51 2.789 -4.576 10.616 1.00 0.56 C ATOM 818 O GLY A 51 3.701 -3.749 10.626 1.00 0.60 O ATOM 0 H GLY A 51 1.278 -6.567 11.952 1.00 0.77 H new ATOM 0 HA2 GLY A 51 0.739 -4.384 11.189 1.00 0.65 H new ATOM 0 HA3 GLY A 51 1.873 -3.695 12.334 1.00 0.65 H new ATOM 822 N ARG A 52 2.703 -5.532 9.701 1.00 0.51 N ATOM 823 CA ARG A 52 3.696 -5.645 8.642 1.00 0.53 C ATOM 824 C ARG A 52 3.105 -6.288 7.398 1.00 0.50 C ATOM 825 O ARG A 52 2.171 -7.084 7.482 1.00 0.60 O ATOM 826 CB ARG A 52 4.918 -6.442 9.114 1.00 0.68 C ATOM 827 CG ARG A 52 4.585 -7.784 9.749 1.00 1.04 C ATOM 828 CD ARG A 52 4.438 -7.668 11.260 1.00 1.42 C ATOM 829 NE ARG A 52 3.850 -8.868 11.853 1.00 2.14 N ATOM 830 CZ ARG A 52 4.534 -9.787 12.526 1.00 2.80 C ATOM 831 NH1 ARG A 52 5.849 -9.680 12.665 1.00 2.98 N ATOM 832 NH2 ARG A 52 3.888 -10.818 13.057 1.00 3.72 N ATOM 0 H ARG A 52 1.964 -6.234 9.670 1.00 0.51 H new ATOM 0 HA ARG A 52 4.016 -4.634 8.389 1.00 0.53 H new ATOM 0 HB2 ARG A 52 5.578 -6.610 8.263 1.00 0.68 H new ATOM 0 HB3 ARG A 52 5.473 -5.841 9.834 1.00 0.68 H new ATOM 0 HG2 ARG A 52 3.660 -8.170 9.321 1.00 1.04 H new ATOM 0 HG3 ARG A 52 5.369 -8.503 9.513 1.00 1.04 H new ATOM 0 HD2 ARG A 52 5.416 -7.487 11.705 1.00 1.42 H new ATOM 0 HD3 ARG A 52 3.815 -6.805 11.497 1.00 1.42 H new ATOM 0 HE ARG A 52 2.846 -9.009 11.743 1.00 2.14 H new ATOM 0 HH11 ARG A 52 6.343 -8.888 12.254 1.00 2.98 H new ATOM 0 HH12 ARG A 52 6.366 -10.390 13.183 1.00 2.98 H new ATOM 0 HH21 ARG A 52 2.877 -10.898 12.946 1.00 3.72 H new ATOM 0 HH22 ARG A 52 4.402 -11.530 13.576 1.00 3.72 H new ATOM 846 N TRP A 53 3.648 -5.923 6.246 1.00 0.52 N ATOM 847 CA TRP A 53 3.226 -6.496 4.977 1.00 0.53 C ATOM 848 C TRP A 53 4.226 -7.563 4.559 1.00 0.57 C ATOM 849 O TRP A 53 5.373 -7.244 4.232 1.00 0.73 O ATOM 850 CB TRP A 53 3.157 -5.424 3.877 1.00 0.65 C ATOM 851 CG TRP A 53 2.258 -4.255 4.167 1.00 0.55 C ATOM 852 CD1 TRP A 53 2.146 -3.567 5.339 1.00 0.53 C ATOM 853 CD2 TRP A 53 1.368 -3.611 3.248 1.00 0.73 C ATOM 854 NE1 TRP A 53 1.242 -2.548 5.208 1.00 0.68 N ATOM 855 CE2 TRP A 53 0.750 -2.552 3.935 1.00 0.82 C ATOM 856 CE3 TRP A 53 1.027 -3.830 1.913 1.00 0.95 C ATOM 857 CZ2 TRP A 53 -0.181 -1.712 3.334 1.00 1.11 C ATOM 858 CZ3 TRP A 53 0.102 -2.995 1.316 1.00 1.20 C ATOM 859 CH2 TRP A 53 -0.493 -1.948 2.027 1.00 1.28 C ATOM 0 H TRP A 53 4.388 -5.226 6.165 1.00 0.52 H new ATOM 0 HA TRP A 53 2.232 -6.925 5.107 1.00 0.53 H new ATOM 0 HB2 TRP A 53 4.164 -5.049 3.696 1.00 0.65 H new ATOM 0 HB3 TRP A 53 2.822 -5.897 2.954 1.00 0.65 H new ATOM 0 HD1 TRP A 53 2.693 -3.794 6.242 1.00 0.53 H new ATOM 0 HE1 TRP A 53 0.979 -1.892 5.943 1.00 0.68 H new ATOM 0 HE3 TRP A 53 1.478 -4.638 1.356 1.00 0.95 H new ATOM 0 HZ2 TRP A 53 -0.640 -0.902 3.882 1.00 1.11 H new ATOM 0 HZ3 TRP A 53 -0.166 -3.154 0.282 1.00 1.20 H new ATOM 0 HH2 TRP A 53 -1.214 -1.314 1.532 1.00 1.28 H new ATOM 870 N TYR A 54 3.810 -8.822 4.585 1.00 0.49 N ATOM 871 CA TYR A 54 4.701 -9.914 4.227 1.00 0.58 C ATOM 872 C TYR A 54 3.920 -11.184 3.913 1.00 0.49 C ATOM 873 O TYR A 54 2.698 -11.245 4.076 1.00 0.52 O ATOM 874 CB TYR A 54 5.730 -10.172 5.339 1.00 0.75 C ATOM 875 CG TYR A 54 5.196 -10.882 6.568 1.00 0.58 C ATOM 876 CD1 TYR A 54 5.708 -12.117 6.943 1.00 0.73 C ATOM 877 CD2 TYR A 54 4.198 -10.320 7.357 1.00 0.61 C ATOM 878 CE1 TYR A 54 5.247 -12.770 8.066 1.00 1.06 C ATOM 879 CE2 TYR A 54 3.729 -10.972 8.484 1.00 0.95 C ATOM 880 CZ TYR A 54 4.259 -12.195 8.833 1.00 1.20 C ATOM 881 OH TYR A 54 3.807 -12.846 9.955 1.00 1.66 O ATOM 0 H TYR A 54 2.868 -9.110 4.849 1.00 0.49 H new ATOM 0 HA TYR A 54 5.239 -9.619 3.326 1.00 0.58 H new ATOM 0 HB2 TYR A 54 6.547 -10.763 4.925 1.00 0.75 H new ATOM 0 HB3 TYR A 54 6.153 -9.216 5.648 1.00 0.75 H new ATOM 0 HD1 TYR A 54 6.482 -12.574 6.344 1.00 0.73 H new ATOM 0 HD2 TYR A 54 3.783 -9.360 7.086 1.00 0.61 H new ATOM 0 HE1 TYR A 54 5.659 -13.729 8.343 1.00 1.06 H new ATOM 0 HE2 TYR A 54 2.952 -10.525 9.086 1.00 0.95 H new ATOM 0 HH TYR A 54 4.258 -13.713 10.034 1.00 1.66 H new ATOM 891 N GLU A 55 4.634 -12.197 3.470 1.00 0.52 N ATOM 892 CA GLU A 55 4.026 -13.446 3.064 1.00 0.56 C ATOM 893 C GLU A 55 4.681 -14.598 3.796 1.00 0.62 C ATOM 894 O GLU A 55 5.657 -14.406 4.521 1.00 0.81 O ATOM 895 CB GLU A 55 4.210 -13.653 1.569 1.00 0.73 C ATOM 896 CG GLU A 55 3.705 -12.516 0.714 1.00 0.81 C ATOM 897 CD GLU A 55 4.253 -12.612 -0.683 1.00 1.51 C ATOM 898 OE1 GLU A 55 3.557 -13.148 -1.563 1.00 1.94 O ATOM 899 OE2 GLU A 55 5.394 -12.182 -0.896 1.00 2.12 O ATOM 0 H GLU A 55 5.650 -12.178 3.381 1.00 0.52 H new ATOM 0 HA GLU A 55 2.963 -13.409 3.303 1.00 0.56 H new ATOM 0 HB2 GLU A 55 5.270 -13.803 1.363 1.00 0.73 H new ATOM 0 HB3 GLU A 55 3.696 -14.568 1.275 1.00 0.73 H new ATOM 0 HG2 GLU A 55 2.616 -12.534 0.684 1.00 0.81 H new ATOM 0 HG3 GLU A 55 3.996 -11.564 1.159 1.00 0.81 H new ATOM 906 N ILE A 56 4.151 -15.791 3.603 1.00 0.63 N ATOM 907 CA ILE A 56 4.796 -16.976 4.119 1.00 0.68 C ATOM 908 C ILE A 56 5.549 -17.662 2.987 1.00 0.70 C ATOM 909 O ILE A 56 4.948 -18.338 2.145 1.00 0.80 O ATOM 910 CB ILE A 56 3.779 -17.963 4.735 1.00 0.83 C ATOM 911 CG1 ILE A 56 2.849 -17.245 5.723 1.00 0.90 C ATOM 912 CG2 ILE A 56 4.508 -19.108 5.424 1.00 0.92 C ATOM 913 CD1 ILE A 56 3.563 -16.614 6.899 1.00 0.90 C ATOM 0 H ILE A 56 3.282 -15.961 3.096 1.00 0.63 H new ATOM 0 HA ILE A 56 5.483 -16.673 4.909 1.00 0.68 H new ATOM 0 HB ILE A 56 3.167 -18.371 3.931 1.00 0.83 H new ATOM 0 HG12 ILE A 56 2.298 -16.471 5.189 1.00 0.90 H new ATOM 0 HG13 ILE A 56 2.115 -17.958 6.098 1.00 0.90 H new ATOM 0 HG21 ILE A 56 3.780 -19.796 5.854 1.00 0.92 H new ATOM 0 HG22 ILE A 56 5.123 -19.638 4.697 1.00 0.92 H new ATOM 0 HG23 ILE A 56 5.143 -18.711 6.216 1.00 0.92 H new ATOM 0 HD11 ILE A 56 2.835 -16.128 7.548 1.00 0.90 H new ATOM 0 HD12 ILE A 56 4.092 -17.385 7.460 1.00 0.90 H new ATOM 0 HD13 ILE A 56 4.277 -15.874 6.537 1.00 0.90 H new ATOM 925 N ASP A 57 6.857 -17.452 2.951 1.00 0.65 N ATOM 926 CA ASP A 57 7.722 -18.084 1.968 1.00 0.72 C ATOM 927 C ASP A 57 7.813 -19.587 2.172 1.00 0.76 C ATOM 928 O ASP A 57 7.160 -20.160 3.045 1.00 0.96 O ATOM 929 CB ASP A 57 9.122 -17.509 2.076 1.00 0.84 C ATOM 930 CG ASP A 57 9.217 -16.083 1.607 1.00 1.35 C ATOM 931 OD1 ASP A 57 9.748 -15.862 0.502 1.00 1.71 O ATOM 932 OD2 ASP A 57 8.777 -15.185 2.351 1.00 1.97 O ATOM 0 H ASP A 57 7.347 -16.839 3.602 1.00 0.65 H new ATOM 0 HA ASP A 57 7.290 -17.889 0.986 1.00 0.72 H new ATOM 0 HB2 ASP A 57 9.452 -17.566 3.113 1.00 0.84 H new ATOM 0 HB3 ASP A 57 9.806 -18.123 1.490 1.00 0.84 H new ATOM 937 N GLU A 58 8.652 -20.217 1.366 1.00 0.87 N ATOM 938 CA GLU A 58 8.901 -21.643 1.482 1.00 1.01 C ATOM 939 C GLU A 58 9.965 -21.926 2.537 1.00 1.04 C ATOM 940 O GLU A 58 10.003 -23.008 3.117 1.00 1.17 O ATOM 941 CB GLU A 58 9.318 -22.226 0.130 1.00 1.35 C ATOM 942 CG GLU A 58 10.491 -21.505 -0.507 1.00 1.54 C ATOM 943 CD GLU A 58 10.879 -22.099 -1.843 1.00 2.04 C ATOM 944 OE1 GLU A 58 10.252 -21.746 -2.860 1.00 2.43 O ATOM 945 OE2 GLU A 58 11.810 -22.928 -1.878 1.00 2.21 O ATOM 0 H GLU A 58 9.175 -19.759 0.620 1.00 0.87 H new ATOM 0 HA GLU A 58 7.975 -22.124 1.797 1.00 1.01 H new ATOM 0 HB2 GLU A 58 9.576 -23.277 0.261 1.00 1.35 H new ATOM 0 HB3 GLU A 58 8.467 -22.189 -0.550 1.00 1.35 H new ATOM 0 HG2 GLU A 58 10.238 -20.453 -0.640 1.00 1.54 H new ATOM 0 HG3 GLU A 58 11.347 -21.544 0.167 1.00 1.54 H new ATOM 952 N GLN A 59 10.832 -20.947 2.786 1.00 1.10 N ATOM 953 CA GLN A 59 11.855 -21.090 3.815 1.00 1.36 C ATOM 954 C GLN A 59 11.394 -20.472 5.125 1.00 1.39 C ATOM 955 O GLN A 59 12.147 -20.414 6.094 1.00 1.70 O ATOM 956 CB GLN A 59 13.200 -20.484 3.392 1.00 1.60 C ATOM 957 CG GLN A 59 13.100 -19.068 2.867 1.00 1.69 C ATOM 958 CD GLN A 59 12.698 -19.033 1.415 1.00 1.62 C ATOM 959 OE1 GLN A 59 13.083 -19.894 0.626 1.00 2.39 O ATOM 960 NE2 GLN A 59 11.878 -18.074 1.062 1.00 1.40 N ATOM 0 H GLN A 59 10.846 -20.054 2.293 1.00 1.10 H new ATOM 0 HA GLN A 59 12.008 -22.160 3.957 1.00 1.36 H new ATOM 0 HB2 GLN A 59 13.877 -20.497 4.246 1.00 1.60 H new ATOM 0 HB3 GLN A 59 13.645 -21.115 2.623 1.00 1.60 H new ATOM 0 HG2 GLN A 59 12.372 -18.512 3.458 1.00 1.69 H new ATOM 0 HG3 GLN A 59 14.060 -18.567 2.990 1.00 1.69 H new ATOM 0 HE21 GLN A 59 11.582 -17.378 1.747 1.00 1.40 H new ATOM 0 HE22 GLN A 59 11.536 -18.023 0.103 1.00 1.40 H new ATOM 969 N GLY A 60 10.153 -20.019 5.154 1.00 1.19 N ATOM 970 CA GLY A 60 9.620 -19.437 6.362 1.00 1.39 C ATOM 971 C GLY A 60 8.684 -18.286 6.086 1.00 1.45 C ATOM 972 O GLY A 60 7.585 -18.480 5.580 1.00 2.29 O ATOM 0 H GLY A 60 9.507 -20.044 4.365 1.00 1.19 H new ATOM 0 HA2 GLY A 60 9.091 -20.204 6.928 1.00 1.39 H new ATOM 0 HA3 GLY A 60 10.442 -19.090 6.988 1.00 1.39 H new ATOM 976 N GLU A 61 9.140 -17.089 6.405 1.00 1.11 N ATOM 977 CA GLU A 61 8.312 -15.888 6.328 1.00 1.15 C ATOM 978 C GLU A 61 9.149 -14.673 5.973 1.00 1.26 C ATOM 979 O GLU A 61 8.859 -13.559 6.423 1.00 1.72 O ATOM 980 CB GLU A 61 7.642 -15.614 7.681 1.00 1.33 C ATOM 981 CG GLU A 61 6.824 -16.762 8.237 1.00 1.38 C ATOM 982 CD GLU A 61 6.444 -16.533 9.682 1.00 1.69 C ATOM 983 OE1 GLU A 61 7.034 -17.177 10.572 1.00 1.77 O ATOM 984 OE2 GLU A 61 5.546 -15.703 9.937 1.00 2.31 O ATOM 0 H GLU A 61 10.093 -16.916 6.725 1.00 1.11 H new ATOM 0 HA GLU A 61 7.561 -16.061 5.557 1.00 1.15 H new ATOM 0 HB2 GLU A 61 8.414 -15.354 8.405 1.00 1.33 H new ATOM 0 HB3 GLU A 61 6.995 -14.743 7.579 1.00 1.33 H new ATOM 0 HG2 GLU A 61 5.921 -16.888 7.639 1.00 1.38 H new ATOM 0 HG3 GLU A 61 7.393 -17.688 8.153 1.00 1.38 H new ATOM 991 N GLU A 62 10.166 -14.856 5.154 1.00 1.06 N ATOM 992 CA GLU A 62 11.103 -13.778 4.939 1.00 1.20 C ATOM 993 C GLU A 62 10.777 -13.008 3.667 1.00 1.00 C ATOM 994 O GLU A 62 11.453 -13.122 2.641 1.00 1.08 O ATOM 995 CB GLU A 62 12.531 -14.319 4.940 1.00 1.54 C ATOM 996 CG GLU A 62 12.823 -15.365 3.871 1.00 1.98 C ATOM 997 CD GLU A 62 14.297 -15.711 3.795 1.00 2.16 C ATOM 998 OE1 GLU A 62 14.720 -16.677 4.462 1.00 2.61 O ATOM 999 OE2 GLU A 62 15.038 -15.027 3.059 1.00 2.56 O ATOM 0 H GLU A 62 10.360 -15.716 4.641 1.00 1.06 H new ATOM 0 HA GLU A 62 11.017 -13.066 5.760 1.00 1.20 H new ATOM 0 HB2 GLU A 62 13.220 -13.485 4.809 1.00 1.54 H new ATOM 0 HB3 GLU A 62 12.739 -14.753 5.918 1.00 1.54 H new ATOM 0 HG2 GLU A 62 12.250 -16.268 4.083 1.00 1.98 H new ATOM 0 HG3 GLU A 62 12.488 -14.995 2.902 1.00 1.98 H new ATOM 1006 N HIS A 63 9.728 -12.209 3.751 1.00 0.90 N ATOM 1007 CA HIS A 63 9.354 -11.333 2.661 1.00 0.85 C ATOM 1008 C HIS A 63 9.305 -9.884 3.107 1.00 0.92 C ATOM 1009 O HIS A 63 9.250 -9.586 4.301 1.00 1.22 O ATOM 1010 CB HIS A 63 8.017 -11.746 2.062 1.00 0.96 C ATOM 1011 CG HIS A 63 8.143 -12.092 0.620 1.00 1.85 C ATOM 1012 ND1 HIS A 63 8.077 -11.160 -0.391 1.00 2.82 N ATOM 1013 CD2 HIS A 63 8.402 -13.272 0.027 1.00 2.22 C ATOM 1014 CE1 HIS A 63 8.299 -11.757 -1.543 1.00 3.72 C ATOM 1015 NE2 HIS A 63 8.499 -13.042 -1.322 1.00 3.37 N ATOM 0 H HIS A 63 9.119 -12.151 4.567 1.00 0.90 H new ATOM 0 HA HIS A 63 10.121 -11.426 1.892 1.00 0.85 H new ATOM 0 HB2 HIS A 63 7.622 -12.603 2.609 1.00 0.96 H new ATOM 0 HB3 HIS A 63 7.299 -10.934 2.180 1.00 0.96 H new ATOM 0 HD2 HIS A 63 8.513 -14.225 0.522 1.00 2.22 H new ATOM 0 HE1 HIS A 63 8.315 -11.275 -2.509 1.00 3.72 H new ATOM 0 HE2 HIS A 63 8.693 -13.746 -2.034 1.00 3.37 H new ATOM 1024 N THR A 64 9.314 -8.990 2.133 1.00 0.97 N ATOM 1025 CA THR A 64 9.311 -7.568 2.395 1.00 1.01 C ATOM 1026 C THR A 64 8.241 -6.872 1.559 1.00 1.50 C ATOM 1027 O THR A 64 7.910 -7.332 0.464 1.00 2.27 O ATOM 1028 CB THR A 64 10.693 -6.958 2.081 1.00 1.03 C ATOM 1029 OG1 THR A 64 10.688 -5.564 2.373 1.00 1.77 O ATOM 1030 CG2 THR A 64 11.080 -7.174 0.623 1.00 1.44 C ATOM 0 H THR A 64 9.324 -9.232 1.142 1.00 0.97 H new ATOM 0 HA THR A 64 9.088 -7.419 3.451 1.00 1.01 H new ATOM 0 HB THR A 64 11.429 -7.462 2.707 1.00 1.03 H new ATOM 0 HG1 THR A 64 10.811 -5.056 1.544 1.00 1.77 H new ATOM 0 HG21 THR A 64 12.059 -6.732 0.437 1.00 1.44 H new ATOM 0 HG22 THR A 64 11.118 -8.243 0.411 1.00 1.44 H new ATOM 0 HG23 THR A 64 10.340 -6.702 -0.024 1.00 1.44 H new ATOM 1038 N PHE A 65 7.685 -5.794 2.102 1.00 1.66 N ATOM 1039 CA PHE A 65 6.764 -4.933 1.368 1.00 2.32 C ATOM 1040 C PHE A 65 6.587 -3.620 2.116 1.00 1.96 C ATOM 1041 O PHE A 65 6.807 -2.539 1.565 1.00 2.43 O ATOM 1042 CB PHE A 65 5.396 -5.599 1.160 1.00 3.26 C ATOM 1043 CG PHE A 65 4.516 -4.875 0.169 1.00 4.27 C ATOM 1044 CD1 PHE A 65 4.200 -5.458 -1.043 1.00 4.99 C ATOM 1045 CD2 PHE A 65 4.014 -3.611 0.444 1.00 4.69 C ATOM 1046 CE1 PHE A 65 3.402 -4.801 -1.961 1.00 6.10 C ATOM 1047 CE2 PHE A 65 3.217 -2.948 -0.469 1.00 5.77 C ATOM 1048 CZ PHE A 65 2.910 -3.544 -1.675 1.00 6.48 C ATOM 0 H PHE A 65 7.859 -5.493 3.061 1.00 1.66 H new ATOM 0 HA PHE A 65 7.195 -4.749 0.384 1.00 2.32 H new ATOM 0 HB2 PHE A 65 5.548 -6.623 0.818 1.00 3.26 H new ATOM 0 HB3 PHE A 65 4.879 -5.656 2.118 1.00 3.26 H new ATOM 0 HD1 PHE A 65 4.582 -6.441 -1.277 1.00 4.99 H new ATOM 0 HD2 PHE A 65 4.250 -3.138 1.386 1.00 4.69 H new ATOM 0 HE1 PHE A 65 3.163 -5.272 -2.903 1.00 6.10 H new ATOM 0 HE2 PHE A 65 2.835 -1.964 -0.239 1.00 5.77 H new ATOM 0 HZ PHE A 65 2.288 -3.029 -2.392 1.00 6.48 H new ATOM 1058 N GLY A 66 6.204 -3.715 3.382 1.00 1.23 N ATOM 1059 CA GLY A 66 5.948 -2.523 4.154 1.00 0.93 C ATOM 1060 C GLY A 66 6.086 -2.732 5.647 1.00 0.80 C ATOM 1061 O GLY A 66 5.834 -3.825 6.160 1.00 0.96 O ATOM 0 H GLY A 66 6.067 -4.593 3.883 1.00 1.23 H new ATOM 0 HA2 GLY A 66 6.638 -1.740 3.839 1.00 0.93 H new ATOM 0 HA3 GLY A 66 4.941 -2.167 3.936 1.00 0.93 H new ATOM 1065 N LEU A 67 6.478 -1.670 6.337 1.00 0.64 N ATOM 1066 CA LEU A 67 6.617 -1.681 7.785 1.00 0.65 C ATOM 1067 C LEU A 67 5.596 -0.728 8.406 1.00 0.51 C ATOM 1068 O LEU A 67 5.760 0.490 8.356 1.00 0.54 O ATOM 1069 CB LEU A 67 8.047 -1.283 8.205 1.00 0.76 C ATOM 1070 CG LEU A 67 8.649 -0.068 7.477 1.00 0.64 C ATOM 1071 CD1 LEU A 67 9.664 0.645 8.356 1.00 1.17 C ATOM 1072 CD2 LEU A 67 9.311 -0.499 6.179 1.00 1.14 C ATOM 0 H LEU A 67 6.709 -0.775 5.906 1.00 0.64 H new ATOM 0 HA LEU A 67 6.431 -2.693 8.146 1.00 0.65 H new ATOM 0 HB2 LEU A 67 8.046 -1.077 9.275 1.00 0.76 H new ATOM 0 HB3 LEU A 67 8.703 -2.139 8.046 1.00 0.76 H new ATOM 0 HG LEU A 67 7.836 0.622 7.252 1.00 0.64 H new ATOM 0 HD11 LEU A 67 10.074 1.500 7.818 1.00 1.17 H new ATOM 0 HD12 LEU A 67 9.177 0.990 9.268 1.00 1.17 H new ATOM 0 HD13 LEU A 67 10.470 -0.043 8.613 1.00 1.17 H new ATOM 0 HD21 LEU A 67 9.731 0.373 5.678 1.00 1.14 H new ATOM 0 HD22 LEU A 67 10.107 -1.212 6.396 1.00 1.14 H new ATOM 0 HD23 LEU A 67 8.570 -0.968 5.531 1.00 1.14 H new ATOM 1084 N ILE A 68 4.533 -1.277 8.975 1.00 0.43 N ATOM 1085 CA ILE A 68 3.456 -0.456 9.516 1.00 0.38 C ATOM 1086 C ILE A 68 3.831 0.096 10.887 1.00 0.45 C ATOM 1087 O ILE A 68 4.496 -0.572 11.679 1.00 0.61 O ATOM 1088 CB ILE A 68 2.133 -1.246 9.641 1.00 0.38 C ATOM 1089 CG1 ILE A 68 1.790 -1.943 8.326 1.00 0.38 C ATOM 1090 CG2 ILE A 68 0.997 -0.319 10.050 1.00 0.46 C ATOM 1091 CD1 ILE A 68 0.530 -2.783 8.396 1.00 0.44 C ATOM 0 H ILE A 68 4.392 -2.282 9.075 1.00 0.43 H new ATOM 0 HA ILE A 68 3.308 0.365 8.814 1.00 0.38 H new ATOM 0 HB ILE A 68 2.265 -2.006 10.412 1.00 0.38 H new ATOM 0 HG12 ILE A 68 1.673 -1.191 7.546 1.00 0.38 H new ATOM 0 HG13 ILE A 68 2.625 -2.579 8.033 1.00 0.38 H new ATOM 0 HG21 ILE A 68 0.073 -0.891 10.134 1.00 0.46 H new ATOM 0 HG22 ILE A 68 1.229 0.138 11.012 1.00 0.46 H new ATOM 0 HG23 ILE A 68 0.875 0.460 9.298 1.00 0.46 H new ATOM 0 HD11 ILE A 68 0.348 -3.248 7.427 1.00 0.44 H new ATOM 0 HD12 ILE A 68 0.651 -3.558 9.153 1.00 0.44 H new ATOM 0 HD13 ILE A 68 -0.316 -2.148 8.658 1.00 0.44 H new ATOM 1103 N ARG A 69 3.433 1.333 11.139 1.00 0.43 N ATOM 1104 CA ARG A 69 3.611 1.952 12.443 1.00 0.55 C ATOM 1105 C ARG A 69 2.257 2.215 13.099 1.00 0.51 C ATOM 1106 O ARG A 69 2.151 2.277 14.323 1.00 0.67 O ATOM 1107 CB ARG A 69 4.404 3.260 12.319 1.00 0.70 C ATOM 1108 CG ARG A 69 5.915 3.084 12.423 1.00 1.19 C ATOM 1109 CD ARG A 69 6.483 2.220 11.308 1.00 0.74 C ATOM 1110 NE ARG A 69 7.922 2.027 11.466 1.00 1.08 N ATOM 1111 CZ ARG A 69 8.520 0.840 11.544 1.00 1.35 C ATOM 1112 NH1 ARG A 69 7.798 -0.279 11.561 1.00 2.00 N ATOM 1113 NH2 ARG A 69 9.845 0.774 11.624 1.00 1.83 N ATOM 0 H ARG A 69 2.980 1.933 10.450 1.00 0.43 H new ATOM 0 HA ARG A 69 4.176 1.264 13.072 1.00 0.55 H new ATOM 0 HB2 ARG A 69 4.168 3.726 11.362 1.00 0.70 H new ATOM 0 HB3 ARG A 69 4.075 3.947 13.098 1.00 0.70 H new ATOM 0 HG2 ARG A 69 6.393 4.063 12.398 1.00 1.19 H new ATOM 0 HG3 ARG A 69 6.159 2.635 13.386 1.00 1.19 H new ATOM 0 HD2 ARG A 69 5.982 1.252 11.305 1.00 0.74 H new ATOM 0 HD3 ARG A 69 6.280 2.687 10.344 1.00 0.74 H new ATOM 0 HE ARG A 69 8.509 2.859 11.520 1.00 1.08 H new ATOM 0 HH11 ARG A 69 6.780 -0.230 11.514 1.00 2.00 H new ATOM 0 HH12 ARG A 69 8.263 -1.185 11.621 1.00 2.00 H new ATOM 0 HH21 ARG A 69 10.399 1.630 11.625 1.00 1.83 H new ATOM 0 HH22 ARG A 69 10.308 -0.133 11.684 1.00 1.83 H new ATOM 1127 N LYS A 70 1.218 2.356 12.281 1.00 0.39 N ATOM 1128 CA LYS A 70 -0.125 2.615 12.788 1.00 0.41 C ATOM 1129 C LYS A 70 -1.175 1.880 11.965 1.00 0.35 C ATOM 1130 O LYS A 70 -1.446 2.248 10.821 1.00 0.40 O ATOM 1131 CB LYS A 70 -0.437 4.121 12.776 1.00 0.53 C ATOM 1132 CG LYS A 70 -1.911 4.439 13.015 1.00 0.62 C ATOM 1133 CD LYS A 70 -2.263 5.877 12.648 1.00 0.99 C ATOM 1134 CE LYS A 70 -2.060 6.841 13.810 1.00 1.08 C ATOM 1135 NZ LYS A 70 -3.001 6.566 14.930 1.00 1.53 N ATOM 0 H LYS A 70 1.281 2.295 11.265 1.00 0.39 H new ATOM 0 HA LYS A 70 -0.158 2.249 13.814 1.00 0.41 H new ATOM 0 HB2 LYS A 70 0.162 4.614 13.542 1.00 0.53 H new ATOM 0 HB3 LYS A 70 -0.134 4.539 11.816 1.00 0.53 H new ATOM 0 HG2 LYS A 70 -2.527 3.756 12.429 1.00 0.62 H new ATOM 0 HG3 LYS A 70 -2.152 4.265 14.064 1.00 0.62 H new ATOM 0 HD2 LYS A 70 -1.649 6.194 11.805 1.00 0.99 H new ATOM 0 HD3 LYS A 70 -3.302 5.921 12.320 1.00 0.99 H new ATOM 0 HE2 LYS A 70 -1.034 6.764 14.170 1.00 1.08 H new ATOM 0 HE3 LYS A 70 -2.200 7.864 13.461 1.00 1.08 H new ATOM 0 HZ1 LYS A 70 -3.103 7.420 15.515 1.00 1.53 H new ATOM 0 HZ2 LYS A 70 -3.929 6.296 14.546 1.00 1.53 H new ATOM 0 HZ3 LYS A 70 -2.629 5.789 15.513 1.00 1.53 H new ATOM 1149 N VAL A 71 -1.736 0.827 12.536 1.00 0.35 N ATOM 1150 CA VAL A 71 -2.933 0.215 11.978 1.00 0.36 C ATOM 1151 C VAL A 71 -4.145 0.800 12.691 1.00 0.37 C ATOM 1152 O VAL A 71 -4.543 0.322 13.756 1.00 0.47 O ATOM 1153 CB VAL A 71 -2.947 -1.325 12.133 1.00 0.44 C ATOM 1154 CG1 VAL A 71 -4.162 -1.922 11.438 1.00 0.88 C ATOM 1155 CG2 VAL A 71 -1.667 -1.945 11.588 1.00 0.77 C ATOM 0 H VAL A 71 -1.385 0.379 13.382 1.00 0.35 H new ATOM 0 HA VAL A 71 -2.953 0.429 10.909 1.00 0.36 H new ATOM 0 HB VAL A 71 -3.006 -1.553 13.197 1.00 0.44 H new ATOM 0 HG11 VAL A 71 -4.154 -3.005 11.558 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -5.071 -1.514 11.880 1.00 0.88 H new ATOM 0 HG13 VAL A 71 -4.132 -1.674 10.377 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -1.706 -3.027 11.711 1.00 0.77 H new ATOM 0 HG22 VAL A 71 -1.567 -1.703 10.530 1.00 0.77 H new ATOM 0 HG23 VAL A 71 -0.810 -1.549 12.133 1.00 0.77 H new ATOM 1165 N ASP A 72 -4.705 1.863 12.134 1.00 0.33 N ATOM 1166 CA ASP A 72 -5.773 2.578 12.811 1.00 0.36 C ATOM 1167 C ASP A 72 -7.102 2.365 12.112 1.00 0.35 C ATOM 1168 O ASP A 72 -7.614 3.287 11.471 1.00 0.40 O ATOM 1169 CB ASP A 72 -5.467 4.074 12.879 1.00 0.41 C ATOM 1170 CG ASP A 72 -5.838 4.673 14.216 1.00 0.84 C ATOM 1171 OD1 ASP A 72 -6.447 3.958 15.042 1.00 1.24 O ATOM 1172 OD2 ASP A 72 -5.546 5.864 14.445 1.00 1.42 O ATOM 0 H ASP A 72 -4.441 2.245 11.226 1.00 0.33 H new ATOM 0 HA ASP A 72 -5.841 2.181 13.824 1.00 0.36 H new ATOM 0 HB2 ASP A 72 -4.405 4.235 12.693 1.00 0.41 H new ATOM 0 HB3 ASP A 72 -6.011 4.591 12.088 1.00 0.41 H new ATOM 1177 N GLU A 73 -7.625 1.132 12.222 1.00 0.38 N ATOM 1178 CA GLU A 73 -8.948 0.748 11.694 1.00 0.39 C ATOM 1179 C GLU A 73 -9.144 1.208 10.234 1.00 0.38 C ATOM 1180 O GLU A 73 -8.188 1.618 9.575 1.00 0.56 O ATOM 1181 CB GLU A 73 -10.067 1.289 12.616 1.00 0.46 C ATOM 1182 CG GLU A 73 -10.242 2.802 12.599 1.00 0.52 C ATOM 1183 CD GLU A 73 -11.384 3.262 13.473 1.00 0.74 C ATOM 1184 OE1 GLU A 73 -11.185 3.393 14.700 1.00 0.96 O ATOM 1185 OE2 GLU A 73 -12.482 3.518 12.933 1.00 0.92 O ATOM 0 H GLU A 73 -7.137 0.365 12.685 1.00 0.38 H new ATOM 0 HA GLU A 73 -9.004 -0.341 11.685 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -11.011 0.826 12.327 1.00 0.46 H new ATOM 0 HB3 GLU A 73 -9.858 0.974 13.638 1.00 0.46 H new ATOM 0 HG2 GLU A 73 -9.319 3.275 12.934 1.00 0.52 H new ATOM 0 HG3 GLU A 73 -10.416 3.133 11.575 1.00 0.52 H new ATOM 1192 N PRO A 74 -10.359 1.064 9.662 1.00 0.33 N ATOM 1193 CA PRO A 74 -10.697 1.739 8.409 1.00 0.32 C ATOM 1194 C PRO A 74 -10.719 3.256 8.590 1.00 0.31 C ATOM 1195 O PRO A 74 -11.781 3.861 8.687 1.00 0.35 O ATOM 1196 CB PRO A 74 -12.097 1.211 8.062 1.00 0.35 C ATOM 1197 CG PRO A 74 -12.262 -0.027 8.876 1.00 0.36 C ATOM 1198 CD PRO A 74 -11.457 0.192 10.123 1.00 0.38 C ATOM 0 HA PRO A 74 -9.968 1.542 7.623 1.00 0.32 H new ATOM 0 HB2 PRO A 74 -12.865 1.946 8.303 1.00 0.35 H new ATOM 0 HB3 PRO A 74 -12.184 0.996 6.997 1.00 0.35 H new ATOM 0 HG2 PRO A 74 -13.311 -0.201 9.114 1.00 0.36 H new ATOM 0 HG3 PRO A 74 -11.909 -0.903 8.332 1.00 0.36 H new ATOM 0 HD2 PRO A 74 -12.048 0.667 10.906 1.00 0.38 H new ATOM 0 HD3 PRO A 74 -11.082 -0.747 10.531 1.00 0.38 H new ATOM 1206 N ASP A 75 -9.533 3.847 8.674 1.00 0.30 N ATOM 1207 CA ASP A 75 -9.383 5.287 8.875 1.00 0.31 C ATOM 1208 C ASP A 75 -8.017 5.750 8.389 1.00 0.30 C ATOM 1209 O ASP A 75 -7.917 6.478 7.400 1.00 0.33 O ATOM 1210 CB ASP A 75 -9.564 5.647 10.358 1.00 0.34 C ATOM 1211 CG ASP A 75 -9.299 7.115 10.668 1.00 0.37 C ATOM 1212 OD1 ASP A 75 -8.148 7.462 10.998 1.00 0.40 O ATOM 1213 OD2 ASP A 75 -10.249 7.927 10.623 1.00 0.50 O ATOM 0 H ASP A 75 -8.648 3.344 8.605 1.00 0.30 H new ATOM 0 HA ASP A 75 -10.154 5.796 8.296 1.00 0.31 H new ATOM 0 HB2 ASP A 75 -10.581 5.398 10.662 1.00 0.34 H new ATOM 0 HB3 ASP A 75 -8.893 5.031 10.957 1.00 0.34 H new ATOM 1218 N THR A 76 -6.965 5.309 9.070 1.00 0.28 N ATOM 1219 CA THR A 76 -5.614 5.726 8.729 1.00 0.29 C ATOM 1220 C THR A 76 -4.611 4.589 8.871 1.00 0.29 C ATOM 1221 O THR A 76 -4.719 3.745 9.762 1.00 0.35 O ATOM 1222 CB THR A 76 -5.158 6.912 9.599 1.00 0.32 C ATOM 1223 OG1 THR A 76 -5.664 6.773 10.931 1.00 0.34 O ATOM 1224 CG2 THR A 76 -5.625 8.230 8.998 1.00 0.35 C ATOM 0 H THR A 76 -7.023 4.665 9.859 1.00 0.28 H new ATOM 0 HA THR A 76 -5.644 6.034 7.684 1.00 0.29 H new ATOM 0 HB THR A 76 -4.069 6.913 9.633 1.00 0.32 H new ATOM 0 HG1 THR A 76 -6.445 7.354 11.047 1.00 0.34 H new ATOM 0 HG21 THR A 76 -5.293 9.055 9.628 1.00 0.35 H new ATOM 0 HG22 THR A 76 -5.204 8.344 7.999 1.00 0.35 H new ATOM 0 HG23 THR A 76 -6.713 8.236 8.936 1.00 0.35 H new ATOM 1232 N LEU A 77 -3.641 4.569 7.971 1.00 0.29 N ATOM 1233 CA LEU A 77 -2.572 3.588 8.024 1.00 0.31 C ATOM 1234 C LEU A 77 -1.232 4.289 7.873 1.00 0.33 C ATOM 1235 O LEU A 77 -0.934 4.842 6.815 1.00 0.41 O ATOM 1236 CB LEU A 77 -2.702 2.530 6.912 1.00 0.33 C ATOM 1237 CG LEU A 77 -4.051 1.812 6.797 1.00 0.32 C ATOM 1238 CD1 LEU A 77 -5.055 2.669 6.043 1.00 0.74 C ATOM 1239 CD2 LEU A 77 -3.871 0.471 6.103 1.00 0.69 C ATOM 0 H LEU A 77 -3.573 5.224 7.192 1.00 0.29 H new ATOM 0 HA LEU A 77 -2.641 3.083 8.987 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -2.491 3.012 5.958 1.00 0.33 H new ATOM 0 HB3 LEU A 77 -1.929 1.778 7.067 1.00 0.33 H new ATOM 0 HG LEU A 77 -4.438 1.640 7.801 1.00 0.32 H new ATOM 0 HD11 LEU A 77 -6.005 2.140 5.973 1.00 0.74 H new ATOM 0 HD12 LEU A 77 -5.202 3.610 6.574 1.00 0.74 H new ATOM 0 HD13 LEU A 77 -4.679 2.873 5.040 1.00 0.74 H new ATOM 0 HD21 LEU A 77 -4.835 -0.031 6.026 1.00 0.69 H new ATOM 0 HD22 LEU A 77 -3.464 0.630 5.104 1.00 0.69 H new ATOM 0 HD23 LEU A 77 -3.184 -0.148 6.680 1.00 0.69 H new ATOM 1251 N VAL A 78 -0.438 4.298 8.930 1.00 0.32 N ATOM 1252 CA VAL A 78 0.924 4.801 8.830 1.00 0.36 C ATOM 1253 C VAL A 78 1.846 3.649 8.475 1.00 0.34 C ATOM 1254 O VAL A 78 2.138 2.787 9.307 1.00 0.36 O ATOM 1255 CB VAL A 78 1.410 5.483 10.124 1.00 0.43 C ATOM 1256 CG1 VAL A 78 2.858 5.935 9.976 1.00 0.52 C ATOM 1257 CG2 VAL A 78 0.521 6.665 10.472 1.00 0.67 C ATOM 0 H VAL A 78 -0.707 3.968 9.857 1.00 0.32 H new ATOM 0 HA VAL A 78 0.939 5.565 8.052 1.00 0.36 H new ATOM 0 HB VAL A 78 1.353 4.758 10.936 1.00 0.43 H new ATOM 0 HG11 VAL A 78 3.186 6.415 10.898 1.00 0.52 H new ATOM 0 HG12 VAL A 78 3.490 5.071 9.772 1.00 0.52 H new ATOM 0 HG13 VAL A 78 2.935 6.644 9.151 1.00 0.52 H new ATOM 0 HG21 VAL A 78 0.880 7.133 11.388 1.00 0.67 H new ATOM 0 HG22 VAL A 78 0.547 7.391 9.659 1.00 0.67 H new ATOM 0 HG23 VAL A 78 -0.503 6.320 10.618 1.00 0.67 H new ATOM 1267 N ILE A 79 2.267 3.627 7.228 1.00 0.35 N ATOM 1268 CA ILE A 79 2.990 2.500 6.675 1.00 0.39 C ATOM 1269 C ILE A 79 4.298 2.948 6.010 1.00 0.40 C ATOM 1270 O ILE A 79 4.292 3.800 5.129 1.00 0.43 O ATOM 1271 CB ILE A 79 2.066 1.733 5.679 1.00 0.48 C ATOM 1272 CG1 ILE A 79 2.857 0.979 4.611 1.00 0.75 C ATOM 1273 CG2 ILE A 79 1.069 2.679 5.024 1.00 0.52 C ATOM 1274 CD1 ILE A 79 3.696 -0.138 5.160 1.00 0.67 C ATOM 0 H ILE A 79 2.118 4.390 6.568 1.00 0.35 H new ATOM 0 HA ILE A 79 3.269 1.823 7.483 1.00 0.39 H new ATOM 0 HB ILE A 79 1.522 0.993 6.266 1.00 0.48 H new ATOM 0 HG12 ILE A 79 2.162 0.573 3.876 1.00 0.75 H new ATOM 0 HG13 ILE A 79 3.503 1.682 4.085 1.00 0.75 H new ATOM 0 HG21 ILE A 79 0.436 2.120 4.334 1.00 0.52 H new ATOM 0 HG22 ILE A 79 0.449 3.142 5.791 1.00 0.52 H new ATOM 0 HG23 ILE A 79 1.607 3.453 4.477 1.00 0.52 H new ATOM 0 HD11 ILE A 79 4.229 -0.628 4.345 1.00 0.67 H new ATOM 0 HD12 ILE A 79 4.415 0.264 5.874 1.00 0.67 H new ATOM 0 HD13 ILE A 79 3.054 -0.863 5.661 1.00 0.67 H new ATOM 1286 N GLY A 80 5.419 2.394 6.472 1.00 0.42 N ATOM 1287 CA GLY A 80 6.710 2.691 5.875 1.00 0.46 C ATOM 1288 C GLY A 80 7.017 1.771 4.707 1.00 0.46 C ATOM 1289 O GLY A 80 6.532 0.642 4.659 1.00 0.50 O ATOM 0 H GLY A 80 5.454 1.741 7.255 1.00 0.42 H new ATOM 0 HA2 GLY A 80 6.723 3.727 5.535 1.00 0.46 H new ATOM 0 HA3 GLY A 80 7.490 2.593 6.630 1.00 0.46 H new ATOM 1293 N TRP A 81 7.852 2.228 3.788 1.00 0.50 N ATOM 1294 CA TRP A 81 8.079 1.505 2.543 1.00 0.51 C ATOM 1295 C TRP A 81 9.246 0.530 2.659 1.00 0.53 C ATOM 1296 O TRP A 81 10.362 0.903 3.026 1.00 0.81 O ATOM 1297 CB TRP A 81 8.319 2.495 1.408 1.00 0.74 C ATOM 1298 CG TRP A 81 8.497 1.853 0.072 1.00 0.80 C ATOM 1299 CD1 TRP A 81 9.617 1.875 -0.708 1.00 0.74 C ATOM 1300 CD2 TRP A 81 7.525 1.087 -0.641 1.00 1.40 C ATOM 1301 NE1 TRP A 81 9.399 1.173 -1.866 1.00 0.88 N ATOM 1302 CE2 TRP A 81 8.118 0.677 -1.848 1.00 1.44 C ATOM 1303 CE3 TRP A 81 6.207 0.706 -0.372 1.00 2.08 C ATOM 1304 CZ2 TRP A 81 7.438 -0.094 -2.786 1.00 2.12 C ATOM 1305 CZ3 TRP A 81 5.534 -0.059 -1.303 1.00 2.78 C ATOM 1306 CH2 TRP A 81 6.150 -0.452 -2.494 1.00 2.79 C ATOM 0 H TRP A 81 8.384 3.094 3.878 1.00 0.50 H new ATOM 0 HA TRP A 81 7.187 0.917 2.327 1.00 0.51 H new ATOM 0 HB2 TRP A 81 7.478 3.187 1.359 1.00 0.74 H new ATOM 0 HB3 TRP A 81 9.205 3.087 1.637 1.00 0.74 H new ATOM 0 HD1 TRP A 81 10.540 2.373 -0.451 1.00 0.74 H new ATOM 0 HE1 TRP A 81 10.077 1.041 -2.617 1.00 0.88 H new ATOM 0 HE3 TRP A 81 5.725 1.005 0.547 1.00 2.08 H new ATOM 0 HZ2 TRP A 81 7.909 -0.398 -3.709 1.00 2.12 H new ATOM 0 HZ3 TRP A 81 4.515 -0.359 -1.108 1.00 2.78 H new ATOM 0 HH2 TRP A 81 5.597 -1.052 -3.201 1.00 2.79 H new ATOM 1317 N ARG A 82 8.970 -0.723 2.326 1.00 0.54 N ATOM 1318 CA ARG A 82 9.965 -1.785 2.381 1.00 0.74 C ATOM 1319 C ARG A 82 10.056 -2.464 1.010 1.00 0.81 C ATOM 1320 O ARG A 82 10.807 -3.418 0.817 1.00 1.47 O ATOM 1321 CB ARG A 82 9.582 -2.787 3.473 1.00 1.06 C ATOM 1322 CG ARG A 82 10.761 -3.324 4.268 1.00 1.64 C ATOM 1323 CD ARG A 82 10.288 -4.171 5.437 1.00 2.68 C ATOM 1324 NE ARG A 82 11.378 -4.544 6.337 1.00 3.63 N ATOM 1325 CZ ARG A 82 11.336 -5.589 7.165 1.00 4.53 C ATOM 1326 NH1 ARG A 82 10.279 -6.393 7.173 1.00 4.80 N ATOM 1327 NH2 ARG A 82 12.352 -5.832 7.981 1.00 5.46 N ATOM 0 H ARG A 82 8.051 -1.032 2.010 1.00 0.54 H new ATOM 0 HA ARG A 82 10.944 -1.373 2.626 1.00 0.74 H new ATOM 0 HB2 ARG A 82 8.883 -2.309 4.159 1.00 1.06 H new ATOM 0 HB3 ARG A 82 9.056 -3.624 3.014 1.00 1.06 H new ATOM 0 HG2 ARG A 82 11.401 -3.920 3.618 1.00 1.64 H new ATOM 0 HG3 ARG A 82 11.364 -2.494 4.636 1.00 1.64 H new ATOM 0 HD2 ARG A 82 9.531 -3.621 5.997 1.00 2.68 H new ATOM 0 HD3 ARG A 82 9.810 -5.074 5.057 1.00 2.68 H new ATOM 0 HE ARG A 82 12.222 -3.971 6.331 1.00 3.63 H new ATOM 0 HH11 ARG A 82 9.496 -6.212 6.545 1.00 4.80 H new ATOM 0 HH12 ARG A 82 10.250 -7.191 7.807 1.00 4.80 H new ATOM 0 HH21 ARG A 82 13.168 -5.219 7.976 1.00 5.46 H new ATOM 0 HH22 ARG A 82 12.318 -6.632 8.613 1.00 5.46 H new ATOM 1341 N LEU A 83 9.240 -1.958 0.081 1.00 0.79 N ATOM 1342 CA LEU A 83 9.312 -2.293 -1.344 1.00 0.86 C ATOM 1343 C LEU A 83 8.678 -3.651 -1.685 1.00 0.81 C ATOM 1344 O LEU A 83 8.614 -4.554 -0.858 1.00 1.21 O ATOM 1345 CB LEU A 83 10.752 -2.188 -1.850 1.00 1.23 C ATOM 1346 CG LEU A 83 10.914 -2.298 -3.358 1.00 1.13 C ATOM 1347 CD1 LEU A 83 11.967 -1.335 -3.854 1.00 1.55 C ATOM 1348 CD2 LEU A 83 11.278 -3.718 -3.733 1.00 1.28 C ATOM 0 H LEU A 83 8.499 -1.293 0.302 1.00 0.79 H new ATOM 0 HA LEU A 83 8.708 -1.555 -1.872 1.00 0.86 H new ATOM 0 HB2 LEU A 83 11.167 -1.234 -1.524 1.00 1.23 H new ATOM 0 HB3 LEU A 83 11.345 -2.972 -1.378 1.00 1.23 H new ATOM 0 HG LEU A 83 9.967 -2.038 -3.831 1.00 1.13 H new ATOM 0 HD11 LEU A 83 12.067 -1.430 -4.935 1.00 1.55 H new ATOM 0 HD12 LEU A 83 11.674 -0.315 -3.605 1.00 1.55 H new ATOM 0 HD13 LEU A 83 12.922 -1.564 -3.380 1.00 1.55 H new ATOM 0 HD21 LEU A 83 11.393 -3.791 -4.815 1.00 1.28 H new ATOM 0 HD22 LEU A 83 12.215 -3.993 -3.249 1.00 1.28 H new ATOM 0 HD23 LEU A 83 10.489 -4.395 -3.406 1.00 1.28 H new ATOM 1360 N ASN A 84 8.234 -3.771 -2.940 1.00 0.76 N ATOM 1361 CA ASN A 84 7.390 -4.877 -3.392 1.00 1.00 C ATOM 1362 C ASN A 84 8.056 -5.721 -4.479 1.00 1.25 C ATOM 1363 O ASN A 84 7.760 -6.904 -4.626 1.00 1.93 O ATOM 1364 CB ASN A 84 6.085 -4.321 -3.952 1.00 1.26 C ATOM 1365 CG ASN A 84 6.302 -3.364 -5.107 1.00 1.08 C ATOM 1366 OD1 ASN A 84 7.327 -2.679 -5.201 1.00 1.81 O ATOM 1367 ND2 ASN A 84 5.333 -3.298 -5.988 1.00 0.94 N ATOM 0 H ASN A 84 8.453 -3.098 -3.674 1.00 0.76 H new ATOM 0 HA ASN A 84 7.214 -5.516 -2.527 1.00 1.00 H new ATOM 0 HB2 ASN A 84 5.456 -5.147 -4.284 1.00 1.26 H new ATOM 0 HB3 ASN A 84 5.544 -3.808 -3.157 1.00 1.26 H new ATOM 0 HD21 ASN A 84 5.410 -2.666 -6.785 1.00 0.94 H new ATOM 0 HD22 ASN A 84 4.502 -3.879 -5.877 1.00 0.94 H new ATOM 1374 N GLY A 85 8.939 -5.098 -5.251 1.00 1.69 N ATOM 1375 CA GLY A 85 9.520 -5.746 -6.413 1.00 2.21 C ATOM 1376 C GLY A 85 10.258 -7.032 -6.094 1.00 1.96 C ATOM 1377 O GLY A 85 10.331 -7.923 -6.945 1.00 2.40 O ATOM 0 H GLY A 85 9.266 -4.145 -5.090 1.00 1.69 H new ATOM 0 HA2 GLY A 85 8.728 -5.961 -7.131 1.00 2.21 H new ATOM 0 HA3 GLY A 85 10.209 -5.053 -6.897 1.00 2.21 H new ATOM 1381 N PHE A 86 10.817 -7.115 -4.881 1.00 1.79 N ATOM 1382 CA PHE A 86 11.612 -8.268 -4.433 1.00 2.29 C ATOM 1383 C PHE A 86 12.980 -8.284 -5.120 1.00 2.14 C ATOM 1384 O PHE A 86 14.001 -8.547 -4.489 1.00 2.77 O ATOM 1385 CB PHE A 86 10.864 -9.591 -4.669 1.00 3.16 C ATOM 1386 CG PHE A 86 11.597 -10.804 -4.169 1.00 3.79 C ATOM 1387 CD1 PHE A 86 11.660 -11.079 -2.814 1.00 4.45 C ATOM 1388 CD2 PHE A 86 12.220 -11.667 -5.055 1.00 4.03 C ATOM 1389 CE1 PHE A 86 12.332 -12.194 -2.348 1.00 5.26 C ATOM 1390 CE2 PHE A 86 12.894 -12.783 -4.597 1.00 4.80 C ATOM 1391 CZ PHE A 86 12.952 -13.047 -3.247 1.00 5.38 C ATOM 0 H PHE A 86 10.731 -6.381 -4.178 1.00 1.79 H new ATOM 0 HA PHE A 86 11.770 -8.166 -3.359 1.00 2.29 H new ATOM 0 HB2 PHE A 86 9.891 -9.539 -4.180 1.00 3.16 H new ATOM 0 HB3 PHE A 86 10.678 -9.706 -5.737 1.00 3.16 H new ATOM 0 HD1 PHE A 86 11.178 -10.414 -2.112 1.00 4.45 H new ATOM 0 HD2 PHE A 86 12.179 -11.466 -6.115 1.00 4.03 H new ATOM 0 HE1 PHE A 86 12.373 -12.399 -1.288 1.00 5.26 H new ATOM 0 HE2 PHE A 86 13.375 -13.448 -5.298 1.00 4.80 H new ATOM 0 HZ PHE A 86 13.480 -13.918 -2.889 1.00 5.38 H new ATOM 1401 N GLY A 87 12.989 -7.995 -6.414 1.00 1.90 N ATOM 1402 CA GLY A 87 14.233 -7.847 -7.140 1.00 2.08 C ATOM 1403 C GLY A 87 14.668 -6.398 -7.186 1.00 1.87 C ATOM 1404 O GLY A 87 15.668 -6.055 -7.817 1.00 2.30 O ATOM 0 H GLY A 87 12.149 -7.860 -6.977 1.00 1.90 H new ATOM 0 HA2 GLY A 87 15.009 -8.448 -6.665 1.00 2.08 H new ATOM 0 HA3 GLY A 87 14.113 -8.226 -8.155 1.00 2.08 H new ATOM 1408 N ARG A 88 13.903 -5.545 -6.516 1.00 1.33 N ATOM 1409 CA ARG A 88 14.207 -4.133 -6.438 1.00 1.18 C ATOM 1410 C ARG A 88 14.949 -3.827 -5.145 1.00 1.09 C ATOM 1411 O ARG A 88 15.098 -4.696 -4.283 1.00 1.21 O ATOM 1412 CB ARG A 88 12.914 -3.329 -6.495 1.00 0.98 C ATOM 1413 CG ARG A 88 12.219 -3.373 -7.839 1.00 1.64 C ATOM 1414 CD ARG A 88 12.983 -2.561 -8.860 1.00 2.32 C ATOM 1415 NE ARG A 88 12.264 -2.465 -10.130 1.00 3.00 N ATOM 1416 CZ ARG A 88 12.623 -3.087 -11.252 1.00 3.96 C ATOM 1417 NH1 ARG A 88 13.710 -3.847 -11.285 1.00 4.44 N ATOM 1418 NH2 ARG A 88 11.907 -2.918 -12.357 1.00 4.77 N ATOM 0 H ARG A 88 13.058 -5.818 -6.015 1.00 1.33 H new ATOM 0 HA ARG A 88 14.842 -3.858 -7.280 1.00 1.18 H new ATOM 0 HB2 ARG A 88 12.231 -3.704 -5.732 1.00 0.98 H new ATOM 0 HB3 ARG A 88 13.133 -2.291 -6.245 1.00 0.98 H new ATOM 0 HG2 ARG A 88 12.135 -4.406 -8.177 1.00 1.64 H new ATOM 0 HG3 ARG A 88 11.205 -2.985 -7.743 1.00 1.64 H new ATOM 0 HD2 ARG A 88 13.162 -1.560 -8.468 1.00 2.32 H new ATOM 0 HD3 ARG A 88 13.959 -3.016 -9.029 1.00 2.32 H new ATOM 0 HE ARG A 88 11.429 -1.880 -10.159 1.00 3.00 H new ATOM 0 HH11 ARG A 88 14.279 -3.959 -10.446 1.00 4.44 H new ATOM 0 HH12 ARG A 88 13.976 -4.319 -12.149 1.00 4.44 H new ATOM 0 HH21 ARG A 88 11.085 -2.314 -12.345 1.00 4.77 H new ATOM 0 HH22 ARG A 88 12.179 -3.392 -13.218 1.00 4.77 H new ATOM 1432 N ILE A 89 15.396 -2.592 -5.006 1.00 1.08 N ATOM 1433 CA ILE A 89 16.166 -2.188 -3.843 1.00 1.08 C ATOM 1434 C ILE A 89 15.279 -1.428 -2.857 1.00 1.04 C ATOM 1435 O ILE A 89 14.722 -0.380 -3.179 1.00 1.15 O ATOM 1436 CB ILE A 89 17.408 -1.356 -4.273 1.00 1.29 C ATOM 1437 CG1 ILE A 89 18.222 -0.861 -3.060 1.00 1.86 C ATOM 1438 CG2 ILE A 89 17.005 -0.194 -5.179 1.00 1.11 C ATOM 1439 CD1 ILE A 89 17.668 0.378 -2.387 1.00 1.70 C ATOM 0 H ILE A 89 15.238 -1.849 -5.687 1.00 1.08 H new ATOM 0 HA ILE A 89 16.534 -3.078 -3.333 1.00 1.08 H new ATOM 0 HB ILE A 89 18.057 -2.020 -4.844 1.00 1.29 H new ATOM 0 HG12 ILE A 89 18.276 -1.664 -2.324 1.00 1.86 H new ATOM 0 HG13 ILE A 89 19.242 -0.656 -3.384 1.00 1.86 H new ATOM 0 HG21 ILE A 89 17.893 0.370 -5.464 1.00 1.11 H new ATOM 0 HG22 ILE A 89 16.519 -0.582 -6.074 1.00 1.11 H new ATOM 0 HG23 ILE A 89 16.315 0.460 -4.646 1.00 1.11 H new ATOM 0 HD11 ILE A 89 18.305 0.651 -1.546 1.00 1.70 H new ATOM 0 HD12 ILE A 89 17.640 1.199 -3.103 1.00 1.70 H new ATOM 0 HD13 ILE A 89 16.659 0.176 -2.027 1.00 1.70 H new ATOM 1451 N ASP A 90 15.148 -1.965 -1.654 1.00 1.05 N ATOM 1452 CA ASP A 90 14.260 -1.389 -0.651 1.00 1.15 C ATOM 1453 C ASP A 90 14.989 -0.382 0.230 1.00 1.01 C ATOM 1454 O ASP A 90 16.164 -0.555 0.558 1.00 1.14 O ATOM 1455 CB ASP A 90 13.648 -2.486 0.230 1.00 1.54 C ATOM 1456 CG ASP A 90 14.684 -3.221 1.063 1.00 2.36 C ATOM 1457 OD1 ASP A 90 14.776 -2.960 2.278 1.00 2.64 O ATOM 1458 OD2 ASP A 90 15.415 -4.065 0.500 1.00 3.18 O ATOM 0 H ASP A 90 15.646 -2.801 -1.346 1.00 1.05 H new ATOM 0 HA ASP A 90 13.465 -0.871 -1.187 1.00 1.15 H new ATOM 0 HB2 ASP A 90 12.906 -2.041 0.892 1.00 1.54 H new ATOM 0 HB3 ASP A 90 13.123 -3.202 -0.402 1.00 1.54 H new ATOM 1463 N PRO A 91 14.309 0.717 0.581 1.00 1.32 N ATOM 1464 CA PRO A 91 14.804 1.681 1.562 1.00 1.52 C ATOM 1465 C PRO A 91 14.746 1.119 2.977 1.00 1.24 C ATOM 1466 O PRO A 91 15.727 1.204 3.717 1.00 1.58 O ATOM 1467 CB PRO A 91 13.854 2.879 1.431 1.00 2.16 C ATOM 1468 CG PRO A 91 13.035 2.615 0.210 1.00 2.36 C ATOM 1469 CD PRO A 91 13.025 1.127 0.013 1.00 1.92 C ATOM 0 HA PRO A 91 15.847 1.940 1.382 1.00 1.52 H new ATOM 0 HB2 PRO A 91 13.221 2.975 2.313 1.00 2.16 H new ATOM 0 HB3 PRO A 91 14.411 3.811 1.335 1.00 2.16 H new ATOM 0 HG2 PRO A 91 12.021 2.996 0.334 1.00 2.36 H new ATOM 0 HG3 PRO A 91 13.461 3.118 -0.658 1.00 2.36 H new ATOM 0 HD2 PRO A 91 12.187 0.656 0.527 1.00 1.92 H new ATOM 0 HD3 PRO A 91 12.944 0.859 -1.040 1.00 1.92 H new ATOM 1477 N ASP A 92 13.573 0.577 3.344 1.00 1.06 N ATOM 1478 CA ASP A 92 13.353 -0.108 4.632 1.00 1.34 C ATOM 1479 C ASP A 92 13.346 0.853 5.825 1.00 1.18 C ATOM 1480 O ASP A 92 12.510 0.741 6.719 1.00 1.61 O ATOM 1481 CB ASP A 92 14.410 -1.196 4.846 1.00 1.93 C ATOM 1482 CG ASP A 92 14.228 -1.958 6.145 1.00 2.60 C ATOM 1483 OD1 ASP A 92 13.514 -2.982 6.145 1.00 2.98 O ATOM 1484 OD2 ASP A 92 14.820 -1.555 7.168 1.00 2.99 O ATOM 0 H ASP A 92 12.743 0.601 2.752 1.00 1.06 H new ATOM 0 HA ASP A 92 12.363 -0.561 4.578 1.00 1.34 H new ATOM 0 HB2 ASP A 92 14.374 -1.898 4.013 1.00 1.93 H new ATOM 0 HB3 ASP A 92 15.400 -0.739 4.836 1.00 1.93 H new ATOM 1489 N ASN A 93 14.266 1.803 5.819 1.00 1.06 N ATOM 1490 CA ASN A 93 14.486 2.686 6.956 1.00 1.26 C ATOM 1491 C ASN A 93 13.373 3.714 7.101 1.00 1.04 C ATOM 1492 O ASN A 93 13.056 4.144 8.209 1.00 1.49 O ATOM 1493 CB ASN A 93 15.830 3.402 6.801 1.00 1.65 C ATOM 1494 CG ASN A 93 17.013 2.470 6.971 1.00 2.22 C ATOM 1495 OD1 ASN A 93 17.592 2.379 8.052 1.00 3.06 O ATOM 1496 ND2 ASN A 93 17.364 1.754 5.913 1.00 2.21 N ATOM 0 H ASN A 93 14.882 1.985 5.027 1.00 1.06 H new ATOM 0 HA ASN A 93 14.491 2.072 7.856 1.00 1.26 H new ATOM 0 HB2 ASN A 93 15.878 3.867 5.816 1.00 1.65 H new ATOM 0 HB3 ASN A 93 15.896 4.204 7.536 1.00 1.65 H new ATOM 0 HD21 ASN A 93 18.141 1.097 5.977 1.00 2.21 H new ATOM 0 HD22 ASN A 93 16.857 1.860 5.034 1.00 2.21 H new ATOM 1503 N SER A 94 12.786 4.117 5.985 1.00 0.68 N ATOM 1504 CA SER A 94 11.760 5.143 6.006 1.00 0.77 C ATOM 1505 C SER A 94 10.816 5.007 4.811 1.00 0.72 C ATOM 1506 O SER A 94 10.257 3.937 4.577 1.00 1.22 O ATOM 1507 CB SER A 94 12.404 6.533 6.025 1.00 1.19 C ATOM 1508 OG SER A 94 13.193 6.726 7.185 1.00 1.85 O ATOM 0 H SER A 94 13.002 3.750 5.058 1.00 0.68 H new ATOM 0 HA SER A 94 11.170 5.014 6.913 1.00 0.77 H new ATOM 0 HB2 SER A 94 13.024 6.660 5.137 1.00 1.19 H new ATOM 0 HB3 SER A 94 11.626 7.296 5.982 1.00 1.19 H new ATOM 0 HG SER A 94 13.590 7.622 7.165 1.00 1.85 H new ATOM 1514 N SER A 95 10.657 6.100 4.058 1.00 0.60 N ATOM 1515 CA SER A 95 9.670 6.177 2.983 1.00 0.67 C ATOM 1516 C SER A 95 8.266 5.906 3.529 1.00 0.70 C ATOM 1517 O SER A 95 7.387 5.425 2.823 1.00 1.27 O ATOM 1518 CB SER A 95 10.024 5.213 1.850 1.00 0.93 C ATOM 1519 OG SER A 95 11.200 5.631 1.175 1.00 1.44 O ATOM 0 H SER A 95 11.207 6.951 4.178 1.00 0.60 H new ATOM 0 HA SER A 95 9.682 7.186 2.571 1.00 0.67 H new ATOM 0 HB2 SER A 95 10.168 4.210 2.253 1.00 0.93 H new ATOM 0 HB3 SER A 95 9.196 5.157 1.144 1.00 0.93 H new ATOM 0 HG SER A 95 10.958 6.227 0.436 1.00 1.44 H new ATOM 1525 N GLU A 96 8.085 6.242 4.800 1.00 0.48 N ATOM 1526 CA GLU A 96 6.815 6.105 5.488 1.00 0.45 C ATOM 1527 C GLU A 96 5.744 6.975 4.838 1.00 0.45 C ATOM 1528 O GLU A 96 6.010 8.113 4.440 1.00 0.60 O ATOM 1529 CB GLU A 96 7.012 6.512 6.950 1.00 0.56 C ATOM 1530 CG GLU A 96 5.751 6.494 7.792 1.00 1.11 C ATOM 1531 CD GLU A 96 5.984 7.072 9.170 1.00 1.30 C ATOM 1532 OE1 GLU A 96 5.957 8.313 9.310 1.00 1.81 O ATOM 1533 OE2 GLU A 96 6.203 6.294 10.122 1.00 1.33 O ATOM 0 H GLU A 96 8.828 6.622 5.386 1.00 0.48 H new ATOM 0 HA GLU A 96 6.479 5.070 5.427 1.00 0.45 H new ATOM 0 HB2 GLU A 96 7.744 5.843 7.403 1.00 0.56 H new ATOM 0 HB3 GLU A 96 7.437 7.515 6.979 1.00 0.56 H new ATOM 0 HG2 GLU A 96 4.970 7.062 7.287 1.00 1.11 H new ATOM 0 HG3 GLU A 96 5.391 5.469 7.884 1.00 1.11 H new ATOM 1540 N PHE A 97 4.546 6.428 4.711 1.00 0.39 N ATOM 1541 CA PHE A 97 3.423 7.181 4.188 1.00 0.40 C ATOM 1542 C PHE A 97 2.186 6.976 5.045 1.00 0.41 C ATOM 1543 O PHE A 97 1.891 5.864 5.481 1.00 0.53 O ATOM 1544 CB PHE A 97 3.135 6.833 2.718 1.00 0.51 C ATOM 1545 CG PHE A 97 3.181 5.366 2.373 1.00 0.42 C ATOM 1546 CD1 PHE A 97 4.397 4.727 2.202 1.00 0.46 C ATOM 1547 CD2 PHE A 97 2.014 4.638 2.184 1.00 0.50 C ATOM 1548 CE1 PHE A 97 4.458 3.395 1.855 1.00 0.53 C ATOM 1549 CE2 PHE A 97 2.068 3.299 1.839 1.00 0.64 C ATOM 1550 CZ PHE A 97 3.292 2.678 1.673 1.00 0.63 C ATOM 0 H PHE A 97 4.328 5.464 4.964 1.00 0.39 H new ATOM 0 HA PHE A 97 3.695 8.236 4.225 1.00 0.40 H new ATOM 0 HB2 PHE A 97 2.149 7.218 2.459 1.00 0.51 H new ATOM 0 HB3 PHE A 97 3.856 7.358 2.091 1.00 0.51 H new ATOM 0 HD1 PHE A 97 5.313 5.282 2.343 1.00 0.46 H new ATOM 0 HD2 PHE A 97 1.056 5.121 2.307 1.00 0.50 H new ATOM 0 HE1 PHE A 97 5.416 2.913 1.726 1.00 0.53 H new ATOM 0 HE2 PHE A 97 1.155 2.740 1.700 1.00 0.64 H new ATOM 0 HZ PHE A 97 3.336 1.634 1.401 1.00 0.63 H new ATOM 1560 N THR A 98 1.483 8.065 5.303 1.00 0.35 N ATOM 1561 CA THR A 98 0.271 8.025 6.094 1.00 0.36 C ATOM 1562 C THR A 98 -0.949 8.024 5.185 1.00 0.33 C ATOM 1563 O THR A 98 -1.241 9.017 4.514 1.00 0.36 O ATOM 1564 CB THR A 98 0.196 9.225 7.059 1.00 0.38 C ATOM 1565 OG1 THR A 98 1.393 9.284 7.847 1.00 0.43 O ATOM 1566 CG2 THR A 98 -1.012 9.115 7.979 1.00 0.40 C ATOM 0 H THR A 98 1.736 8.996 4.971 1.00 0.35 H new ATOM 0 HA THR A 98 0.286 7.108 6.683 1.00 0.36 H new ATOM 0 HB THR A 98 0.095 10.134 6.466 1.00 0.38 H new ATOM 0 HG1 THR A 98 1.345 10.048 8.459 1.00 0.43 H new ATOM 0 HG21 THR A 98 -1.039 9.975 8.648 1.00 0.40 H new ATOM 0 HG22 THR A 98 -1.923 9.091 7.382 1.00 0.40 H new ATOM 0 HG23 THR A 98 -0.940 8.200 8.567 1.00 0.40 H new ATOM 1574 N VAL A 99 -1.638 6.898 5.148 1.00 0.33 N ATOM 1575 CA VAL A 99 -2.835 6.760 4.341 1.00 0.35 C ATOM 1576 C VAL A 99 -4.035 7.325 5.085 1.00 0.31 C ATOM 1577 O VAL A 99 -4.475 6.757 6.081 1.00 0.32 O ATOM 1578 CB VAL A 99 -3.097 5.278 3.983 1.00 0.45 C ATOM 1579 CG1 VAL A 99 -4.388 5.122 3.201 1.00 0.75 C ATOM 1580 CG2 VAL A 99 -1.934 4.703 3.196 1.00 0.87 C ATOM 0 H VAL A 99 -1.386 6.060 5.672 1.00 0.33 H new ATOM 0 HA VAL A 99 -2.684 7.318 3.417 1.00 0.35 H new ATOM 0 HB VAL A 99 -3.196 4.724 4.917 1.00 0.45 H new ATOM 0 HG11 VAL A 99 -4.545 4.070 2.964 1.00 0.75 H new ATOM 0 HG12 VAL A 99 -5.222 5.487 3.800 1.00 0.75 H new ATOM 0 HG13 VAL A 99 -4.325 5.697 2.277 1.00 0.75 H new ATOM 0 HG21 VAL A 99 -2.138 3.660 2.954 1.00 0.87 H new ATOM 0 HG22 VAL A 99 -1.803 5.270 2.274 1.00 0.87 H new ATOM 0 HG23 VAL A 99 -1.024 4.765 3.793 1.00 0.87 H new ATOM 1590 N THR A 100 -4.546 8.449 4.609 1.00 0.31 N ATOM 1591 CA THR A 100 -5.694 9.076 5.232 1.00 0.30 C ATOM 1592 C THR A 100 -6.950 8.822 4.419 1.00 0.26 C ATOM 1593 O THR A 100 -7.136 9.400 3.349 1.00 0.28 O ATOM 1594 CB THR A 100 -5.484 10.595 5.382 1.00 0.36 C ATOM 1595 OG1 THR A 100 -4.230 10.852 6.031 1.00 0.45 O ATOM 1596 CG2 THR A 100 -6.615 11.227 6.182 1.00 0.36 C ATOM 0 H THR A 100 -4.183 8.943 3.794 1.00 0.31 H new ATOM 0 HA THR A 100 -5.809 8.636 6.223 1.00 0.30 H new ATOM 0 HB THR A 100 -5.478 11.038 4.386 1.00 0.36 H new ATOM 0 HG1 THR A 100 -4.101 11.819 6.122 1.00 0.45 H new ATOM 0 HG21 THR A 100 -6.442 12.299 6.273 1.00 0.36 H new ATOM 0 HG22 THR A 100 -7.562 11.055 5.671 1.00 0.36 H new ATOM 0 HG23 THR A 100 -6.652 10.780 7.176 1.00 0.36 H new ATOM 1604 N PHE A 101 -7.805 7.948 4.920 1.00 0.25 N ATOM 1605 CA PHE A 101 -9.064 7.665 4.262 1.00 0.24 C ATOM 1606 C PHE A 101 -10.137 8.637 4.736 1.00 0.25 C ATOM 1607 O PHE A 101 -10.539 8.614 5.902 1.00 0.31 O ATOM 1608 CB PHE A 101 -9.510 6.227 4.531 1.00 0.26 C ATOM 1609 CG PHE A 101 -8.763 5.182 3.752 1.00 0.25 C ATOM 1610 CD1 PHE A 101 -8.826 5.155 2.368 1.00 0.31 C ATOM 1611 CD2 PHE A 101 -8.017 4.214 4.403 1.00 0.28 C ATOM 1612 CE1 PHE A 101 -8.154 4.184 1.648 1.00 0.34 C ATOM 1613 CE2 PHE A 101 -7.345 3.242 3.687 1.00 0.31 C ATOM 1614 CZ PHE A 101 -7.413 3.227 2.309 1.00 0.29 C ATOM 0 H PHE A 101 -7.649 7.423 5.780 1.00 0.25 H new ATOM 0 HA PHE A 101 -8.919 7.787 3.189 1.00 0.24 H new ATOM 0 HB2 PHE A 101 -9.396 6.019 5.595 1.00 0.26 H new ATOM 0 HB3 PHE A 101 -10.572 6.142 4.302 1.00 0.26 H new ATOM 0 HD1 PHE A 101 -9.407 5.901 1.845 1.00 0.31 H new ATOM 0 HD2 PHE A 101 -7.960 4.219 5.481 1.00 0.28 H new ATOM 0 HE1 PHE A 101 -8.209 4.175 0.569 1.00 0.34 H new ATOM 0 HE2 PHE A 101 -6.766 2.493 4.207 1.00 0.31 H new ATOM 0 HZ PHE A 101 -6.887 2.468 1.749 1.00 0.29 H new ATOM 1624 N VAL A 102 -10.588 9.497 3.836 1.00 0.29 N ATOM 1625 CA VAL A 102 -11.624 10.464 4.160 1.00 0.31 C ATOM 1626 C VAL A 102 -12.991 9.921 3.762 1.00 0.30 C ATOM 1627 O VAL A 102 -13.282 9.762 2.575 1.00 0.34 O ATOM 1628 CB VAL A 102 -11.386 11.819 3.459 1.00 0.36 C ATOM 1629 CG1 VAL A 102 -12.467 12.820 3.840 1.00 0.52 C ATOM 1630 CG2 VAL A 102 -10.006 12.361 3.795 1.00 0.54 C ATOM 0 H VAL A 102 -10.252 9.545 2.874 1.00 0.29 H new ATOM 0 HA VAL A 102 -11.589 10.629 5.237 1.00 0.31 H new ATOM 0 HB VAL A 102 -11.436 11.660 2.382 1.00 0.36 H new ATOM 0 HG11 VAL A 102 -12.280 13.768 3.335 1.00 0.52 H new ATOM 0 HG12 VAL A 102 -13.442 12.435 3.540 1.00 0.52 H new ATOM 0 HG13 VAL A 102 -12.455 12.975 4.919 1.00 0.52 H new ATOM 0 HG21 VAL A 102 -9.858 13.316 3.291 1.00 0.54 H new ATOM 0 HG22 VAL A 102 -9.923 12.502 4.873 1.00 0.54 H new ATOM 0 HG23 VAL A 102 -9.246 11.654 3.462 1.00 0.54 H new ATOM 1640 N ALA A 103 -13.813 9.617 4.759 1.00 0.31 N ATOM 1641 CA ALA A 103 -15.142 9.072 4.519 1.00 0.35 C ATOM 1642 C ALA A 103 -16.052 10.120 3.888 1.00 0.39 C ATOM 1643 O ALA A 103 -16.092 11.269 4.331 1.00 0.44 O ATOM 1644 CB ALA A 103 -15.741 8.551 5.817 1.00 0.44 C ATOM 0 H ALA A 103 -13.581 9.740 5.745 1.00 0.31 H new ATOM 0 HA ALA A 103 -15.052 8.240 3.820 1.00 0.35 H new ATOM 0 HB1 ALA A 103 -16.734 8.147 5.623 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -15.103 7.766 6.223 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -15.816 9.366 6.536 1.00 0.44 H new ATOM 1650 N ASP A 104 -16.770 9.721 2.850 1.00 0.48 N ATOM 1651 CA ASP A 104 -17.644 10.626 2.117 1.00 0.57 C ATOM 1652 C ASP A 104 -19.046 10.035 2.032 1.00 0.64 C ATOM 1653 O ASP A 104 -19.293 9.116 1.253 1.00 0.73 O ATOM 1654 CB ASP A 104 -17.097 10.852 0.703 1.00 0.58 C ATOM 1655 CG ASP A 104 -17.761 12.008 -0.025 1.00 1.21 C ATOM 1656 OD1 ASP A 104 -17.052 12.917 -0.497 1.00 1.34 O ATOM 1657 OD2 ASP A 104 -19.008 12.025 -0.097 1.00 2.03 O ATOM 0 H ASP A 104 -16.764 8.766 2.492 1.00 0.48 H new ATOM 0 HA ASP A 104 -17.685 11.580 2.643 1.00 0.57 H new ATOM 0 HB2 ASP A 104 -16.025 11.038 0.762 1.00 0.58 H new ATOM 0 HB3 ASP A 104 -17.231 9.941 0.120 1.00 0.58 H new ATOM 1662 N GLY A 105 -19.944 10.516 2.878 1.00 0.71 N ATOM 1663 CA GLY A 105 -21.333 10.088 2.810 1.00 0.83 C ATOM 1664 C GLY A 105 -21.543 8.645 3.246 1.00 1.06 C ATOM 1665 O GLY A 105 -22.653 8.119 3.139 1.00 1.97 O ATOM 0 H GLY A 105 -19.740 11.195 3.611 1.00 0.71 H new ATOM 0 HA2 GLY A 105 -21.938 10.741 3.439 1.00 0.83 H new ATOM 0 HA3 GLY A 105 -21.692 10.207 1.788 1.00 0.83 H new ATOM 1669 N GLN A 106 -20.468 8.009 3.716 1.00 1.24 N ATOM 1670 CA GLN A 106 -20.500 6.633 4.230 1.00 2.07 C ATOM 1671 C GLN A 106 -20.674 5.600 3.101 1.00 1.73 C ATOM 1672 O GLN A 106 -20.873 4.410 3.355 1.00 2.51 O ATOM 1673 CB GLN A 106 -21.595 6.480 5.299 1.00 2.98 C ATOM 1674 CG GLN A 106 -21.505 5.190 6.104 1.00 3.83 C ATOM 1675 CD GLN A 106 -22.527 5.119 7.222 1.00 4.45 C ATOM 1676 OE1 GLN A 106 -22.996 4.039 7.579 1.00 4.84 O ATOM 1677 NE2 GLN A 106 -22.874 6.263 7.792 1.00 4.93 N ATOM 0 H GLN A 106 -19.542 8.435 3.752 1.00 1.24 H new ATOM 0 HA GLN A 106 -19.535 6.433 4.696 1.00 2.07 H new ATOM 0 HB2 GLN A 106 -21.540 7.327 5.983 1.00 2.98 H new ATOM 0 HB3 GLN A 106 -22.570 6.525 4.814 1.00 2.98 H new ATOM 0 HG2 GLN A 106 -21.645 4.340 5.436 1.00 3.83 H new ATOM 0 HG3 GLN A 106 -20.504 5.101 6.527 1.00 3.83 H new ATOM 0 HE21 GLN A 106 -22.464 7.139 7.469 1.00 4.93 H new ATOM 0 HE22 GLN A 106 -23.552 6.268 8.554 1.00 4.93 H new ATOM 1686 N LYS A 107 -20.602 6.047 1.853 1.00 0.73 N ATOM 1687 CA LYS A 107 -20.559 5.118 0.723 1.00 0.48 C ATOM 1688 C LYS A 107 -19.382 5.444 -0.183 1.00 0.38 C ATOM 1689 O LYS A 107 -19.032 4.667 -1.065 1.00 0.47 O ATOM 1690 CB LYS A 107 -21.849 5.149 -0.101 1.00 0.72 C ATOM 1691 CG LYS A 107 -23.122 4.879 0.693 1.00 1.55 C ATOM 1692 CD LYS A 107 -23.147 3.492 1.334 1.00 2.23 C ATOM 1693 CE LYS A 107 -23.066 2.368 0.306 1.00 2.95 C ATOM 1694 NZ LYS A 107 -21.661 1.992 -0.017 1.00 3.53 N ATOM 0 H LYS A 107 -20.572 7.034 1.596 1.00 0.73 H new ATOM 0 HA LYS A 107 -20.446 4.117 1.140 1.00 0.48 H new ATOM 0 HB2 LYS A 107 -21.935 6.125 -0.578 1.00 0.72 H new ATOM 0 HB3 LYS A 107 -21.772 4.410 -0.899 1.00 0.72 H new ATOM 0 HG2 LYS A 107 -23.224 5.634 1.472 1.00 1.55 H new ATOM 0 HG3 LYS A 107 -23.983 4.983 0.033 1.00 1.55 H new ATOM 0 HD2 LYS A 107 -22.313 3.403 2.030 1.00 2.23 H new ATOM 0 HD3 LYS A 107 -24.062 3.381 1.916 1.00 2.23 H new ATOM 0 HE2 LYS A 107 -23.595 1.494 0.686 1.00 2.95 H new ATOM 0 HE3 LYS A 107 -23.575 2.677 -0.607 1.00 2.95 H new ATOM 0 HZ1 LYS A 107 -21.610 0.971 -0.208 1.00 3.53 H new ATOM 0 HZ2 LYS A 107 -21.345 2.517 -0.857 1.00 3.53 H new ATOM 0 HZ3 LYS A 107 -21.045 2.225 0.788 1.00 3.53 H new ATOM 1708 N LYS A 108 -18.778 6.594 0.046 1.00 0.32 N ATOM 1709 CA LYS A 108 -17.637 7.041 -0.732 1.00 0.29 C ATOM 1710 C LYS A 108 -16.466 7.291 0.209 1.00 0.27 C ATOM 1711 O LYS A 108 -16.667 7.477 1.407 1.00 0.28 O ATOM 1712 CB LYS A 108 -18.003 8.329 -1.475 1.00 0.33 C ATOM 1713 CG LYS A 108 -16.935 8.851 -2.422 1.00 0.50 C ATOM 1714 CD LYS A 108 -17.315 10.224 -2.944 1.00 1.09 C ATOM 1715 CE LYS A 108 -16.148 10.921 -3.611 1.00 1.62 C ATOM 1716 NZ LYS A 108 -16.477 12.329 -3.942 1.00 2.44 N ATOM 0 H LYS A 108 -19.064 7.246 0.777 1.00 0.32 H new ATOM 0 HA LYS A 108 -17.358 6.281 -1.461 1.00 0.29 H new ATOM 0 HB2 LYS A 108 -18.917 8.156 -2.043 1.00 0.33 H new ATOM 0 HB3 LYS A 108 -18.226 9.103 -0.741 1.00 0.33 H new ATOM 0 HG2 LYS A 108 -15.977 8.904 -1.905 1.00 0.50 H new ATOM 0 HG3 LYS A 108 -16.810 8.160 -3.256 1.00 0.50 H new ATOM 0 HD2 LYS A 108 -18.134 10.127 -3.656 1.00 1.09 H new ATOM 0 HD3 LYS A 108 -17.680 10.837 -2.120 1.00 1.09 H new ATOM 0 HE2 LYS A 108 -15.281 10.894 -2.952 1.00 1.62 H new ATOM 0 HE3 LYS A 108 -15.874 10.386 -4.520 1.00 1.62 H new ATOM 0 HZ1 LYS A 108 -15.658 12.779 -4.398 1.00 2.44 H new ATOM 0 HZ2 LYS A 108 -17.290 12.352 -4.590 1.00 2.44 H new ATOM 0 HZ3 LYS A 108 -16.715 12.844 -3.070 1.00 2.44 H new ATOM 1730 N THR A 109 -15.254 7.267 -0.316 1.00 0.26 N ATOM 1731 CA THR A 109 -14.076 7.585 0.478 1.00 0.25 C ATOM 1732 C THR A 109 -12.926 8.021 -0.414 1.00 0.26 C ATOM 1733 O THR A 109 -12.460 7.263 -1.258 1.00 0.35 O ATOM 1734 CB THR A 109 -13.637 6.390 1.350 1.00 0.26 C ATOM 1735 OG1 THR A 109 -14.617 6.154 2.363 1.00 0.39 O ATOM 1736 CG2 THR A 109 -12.284 6.641 2.004 1.00 0.42 C ATOM 0 H THR A 109 -15.057 7.031 -1.289 1.00 0.26 H new ATOM 0 HA THR A 109 -14.347 8.408 1.140 1.00 0.25 H new ATOM 0 HB THR A 109 -13.544 5.517 0.704 1.00 0.26 H new ATOM 0 HG1 THR A 109 -15.319 6.835 2.304 1.00 0.39 H new ATOM 0 HG21 THR A 109 -12.007 5.778 2.610 1.00 0.42 H new ATOM 0 HG22 THR A 109 -11.531 6.799 1.232 1.00 0.42 H new ATOM 0 HG23 THR A 109 -12.345 7.526 2.638 1.00 0.42 H new ATOM 1744 N ARG A 110 -12.488 9.251 -0.238 1.00 0.25 N ATOM 1745 CA ARG A 110 -11.355 9.758 -0.977 1.00 0.27 C ATOM 1746 C ARG A 110 -10.133 9.740 -0.063 1.00 0.26 C ATOM 1747 O ARG A 110 -10.106 10.416 0.962 1.00 0.33 O ATOM 1748 CB ARG A 110 -11.663 11.172 -1.488 1.00 0.35 C ATOM 1749 CG ARG A 110 -10.777 11.640 -2.636 1.00 0.68 C ATOM 1750 CD ARG A 110 -9.348 11.880 -2.183 1.00 0.62 C ATOM 1751 NE ARG A 110 -9.292 12.847 -1.079 1.00 1.27 N ATOM 1752 CZ ARG A 110 -8.216 13.566 -0.754 1.00 1.75 C ATOM 1753 NH1 ARG A 110 -7.099 13.459 -1.459 1.00 2.08 N ATOM 1754 NH2 ARG A 110 -8.278 14.411 0.271 1.00 2.59 N ATOM 0 H ARG A 110 -12.902 9.918 0.413 1.00 0.25 H new ATOM 0 HA ARG A 110 -11.149 9.133 -1.846 1.00 0.27 H new ATOM 0 HB2 ARG A 110 -12.703 11.208 -1.811 1.00 0.35 H new ATOM 0 HB3 ARG A 110 -11.562 11.873 -0.660 1.00 0.35 H new ATOM 0 HG2 ARG A 110 -10.786 10.893 -3.430 1.00 0.68 H new ATOM 0 HG3 ARG A 110 -11.184 12.559 -3.058 1.00 0.68 H new ATOM 0 HD2 ARG A 110 -8.902 10.937 -1.866 1.00 0.62 H new ATOM 0 HD3 ARG A 110 -8.756 12.247 -3.021 1.00 0.62 H new ATOM 0 HE ARG A 110 -10.136 12.978 -0.521 1.00 1.27 H new ATOM 0 HH11 ARG A 110 -7.058 12.824 -2.256 1.00 2.08 H new ATOM 0 HH12 ARG A 110 -6.280 14.012 -1.205 1.00 2.08 H new ATOM 0 HH21 ARG A 110 -9.144 14.506 0.802 1.00 2.59 H new ATOM 0 HH22 ARG A 110 -7.460 14.964 0.526 1.00 2.59 H new ATOM 1768 N VAL A 111 -9.142 8.943 -0.425 1.00 0.27 N ATOM 1769 CA VAL A 111 -7.942 8.801 0.387 1.00 0.27 C ATOM 1770 C VAL A 111 -6.877 9.810 -0.026 1.00 0.29 C ATOM 1771 O VAL A 111 -6.719 10.114 -1.215 1.00 0.32 O ATOM 1772 CB VAL A 111 -7.344 7.382 0.282 1.00 0.27 C ATOM 1773 CG1 VAL A 111 -6.913 7.091 -1.135 1.00 0.40 C ATOM 1774 CG2 VAL A 111 -6.165 7.213 1.221 1.00 0.33 C ATOM 0 H VAL A 111 -9.143 8.383 -1.277 1.00 0.27 H new ATOM 0 HA VAL A 111 -8.243 8.985 1.418 1.00 0.27 H new ATOM 0 HB VAL A 111 -8.121 6.674 0.571 1.00 0.27 H new ATOM 0 HG11 VAL A 111 -6.494 6.086 -1.189 1.00 0.40 H new ATOM 0 HG12 VAL A 111 -7.775 7.161 -1.799 1.00 0.40 H new ATOM 0 HG13 VAL A 111 -6.159 7.815 -1.442 1.00 0.40 H new ATOM 0 HG21 VAL A 111 -5.765 6.204 1.125 1.00 0.33 H new ATOM 0 HG22 VAL A 111 -5.390 7.936 0.966 1.00 0.33 H new ATOM 0 HG23 VAL A 111 -6.491 7.377 2.248 1.00 0.33 H new ATOM 1784 N ASP A 112 -6.153 10.303 0.961 1.00 0.31 N ATOM 1785 CA ASP A 112 -5.047 11.207 0.740 1.00 0.37 C ATOM 1786 C ASP A 112 -3.834 10.683 1.483 1.00 0.37 C ATOM 1787 O ASP A 112 -3.825 10.611 2.714 1.00 0.40 O ATOM 1788 CB ASP A 112 -5.407 12.605 1.227 1.00 0.50 C ATOM 1789 CG ASP A 112 -4.381 13.646 0.829 1.00 0.80 C ATOM 1790 OD1 ASP A 112 -3.343 13.753 1.521 1.00 1.12 O ATOM 1791 OD2 ASP A 112 -4.594 14.354 -0.174 1.00 1.38 O ATOM 0 H ASP A 112 -6.319 10.084 1.943 1.00 0.31 H new ATOM 0 HA ASP A 112 -4.824 11.266 -0.325 1.00 0.37 H new ATOM 0 HB2 ASP A 112 -6.379 12.887 0.823 1.00 0.50 H new ATOM 0 HB3 ASP A 112 -5.504 12.593 2.313 1.00 0.50 H new ATOM 1796 N VAL A 113 -2.838 10.264 0.735 1.00 0.38 N ATOM 1797 CA VAL A 113 -1.646 9.679 1.314 1.00 0.41 C ATOM 1798 C VAL A 113 -0.486 10.649 1.275 1.00 0.43 C ATOM 1799 O VAL A 113 -0.074 11.083 0.200 1.00 0.47 O ATOM 1800 CB VAL A 113 -1.247 8.392 0.568 1.00 0.50 C ATOM 1801 CG1 VAL A 113 0.145 7.932 0.969 1.00 0.91 C ATOM 1802 CG2 VAL A 113 -2.262 7.301 0.831 1.00 0.77 C ATOM 0 H VAL A 113 -2.829 10.318 -0.284 1.00 0.38 H new ATOM 0 HA VAL A 113 -1.878 9.440 2.352 1.00 0.41 H new ATOM 0 HB VAL A 113 -1.231 8.610 -0.500 1.00 0.50 H new ATOM 0 HG11 VAL A 113 0.398 7.022 0.426 1.00 0.91 H new ATOM 0 HG12 VAL A 113 0.869 8.711 0.729 1.00 0.91 H new ATOM 0 HG13 VAL A 113 0.168 7.733 2.040 1.00 0.91 H new ATOM 0 HG21 VAL A 113 -1.970 6.396 0.299 1.00 0.77 H new ATOM 0 HG22 VAL A 113 -2.306 7.095 1.900 1.00 0.77 H new ATOM 0 HG23 VAL A 113 -3.243 7.625 0.484 1.00 0.77 H new ATOM 1812 N GLU A 114 0.044 10.962 2.446 1.00 0.47 N ATOM 1813 CA GLU A 114 1.238 11.779 2.543 1.00 0.55 C ATOM 1814 C GLU A 114 2.456 10.886 2.711 1.00 0.60 C ATOM 1815 O GLU A 114 2.524 10.077 3.638 1.00 0.62 O ATOM 1816 CB GLU A 114 1.158 12.751 3.715 1.00 0.67 C ATOM 1817 CG GLU A 114 2.395 13.625 3.832 1.00 1.31 C ATOM 1818 CD GLU A 114 2.544 14.250 5.199 1.00 1.75 C ATOM 1819 OE1 GLU A 114 2.857 13.519 6.162 1.00 2.31 O ATOM 1820 OE2 GLU A 114 2.341 15.476 5.318 1.00 2.05 O ATOM 0 H GLU A 114 -0.336 10.661 3.343 1.00 0.47 H new ATOM 0 HA GLU A 114 1.322 12.360 1.624 1.00 0.55 H new ATOM 0 HB2 GLU A 114 0.279 13.385 3.598 1.00 0.67 H new ATOM 0 HB3 GLU A 114 1.025 12.190 4.640 1.00 0.67 H new ATOM 0 HG2 GLU A 114 3.279 13.026 3.613 1.00 1.31 H new ATOM 0 HG3 GLU A 114 2.350 14.413 3.080 1.00 1.31 H new ATOM 1827 N HIS A 115 3.399 11.030 1.805 1.00 0.70 N ATOM 1828 CA HIS A 115 4.627 10.261 1.836 1.00 0.80 C ATOM 1829 C HIS A 115 5.806 11.211 1.661 1.00 0.89 C ATOM 1830 O HIS A 115 6.138 11.600 0.546 1.00 1.17 O ATOM 1831 CB HIS A 115 4.572 9.226 0.705 1.00 0.92 C ATOM 1832 CG HIS A 115 5.745 8.298 0.579 1.00 0.87 C ATOM 1833 ND1 HIS A 115 5.605 6.984 0.199 1.00 1.59 N ATOM 1834 CD2 HIS A 115 7.073 8.515 0.674 1.00 1.36 C ATOM 1835 CE1 HIS A 115 6.795 6.439 0.062 1.00 1.64 C ATOM 1836 NE2 HIS A 115 7.710 7.346 0.341 1.00 1.47 N ATOM 0 H HIS A 115 3.337 11.684 1.025 1.00 0.70 H new ATOM 0 HA HIS A 115 4.746 9.740 2.786 1.00 0.80 H new ATOM 0 HB2 HIS A 115 3.674 8.623 0.840 1.00 0.92 H new ATOM 0 HB3 HIS A 115 4.458 9.760 -0.239 1.00 0.92 H new ATOM 0 HD2 HIS A 115 7.549 9.441 0.960 1.00 1.36 H new ATOM 0 HE1 HIS A 115 6.990 5.418 -0.231 1.00 1.64 H new ATOM 0 HE2 HIS A 115 8.720 7.203 0.314 1.00 1.47 H new ATOM 1845 N THR A 116 6.425 11.599 2.762 1.00 0.90 N ATOM 1846 CA THR A 116 7.535 12.538 2.711 1.00 1.08 C ATOM 1847 C THR A 116 8.616 12.172 3.722 1.00 0.83 C ATOM 1848 O THR A 116 8.447 12.394 4.920 1.00 1.67 O ATOM 1849 CB THR A 116 7.061 13.991 2.972 1.00 1.92 C ATOM 1850 OG1 THR A 116 6.251 14.055 4.158 1.00 2.67 O ATOM 1851 CG2 THR A 116 6.273 14.540 1.791 1.00 2.51 C ATOM 0 H THR A 116 6.180 11.281 3.700 1.00 0.90 H new ATOM 0 HA THR A 116 7.952 12.478 1.706 1.00 1.08 H new ATOM 0 HB THR A 116 7.953 14.603 3.109 1.00 1.92 H new ATOM 0 HG1 THR A 116 6.661 13.512 4.864 1.00 2.67 H new ATOM 0 HG21 THR A 116 5.956 15.560 2.008 1.00 2.51 H new ATOM 0 HG22 THR A 116 6.902 14.537 0.901 1.00 2.51 H new ATOM 0 HG23 THR A 116 5.396 13.917 1.618 1.00 2.51 H new ATOM 1859 N HIS A 117 9.714 11.580 3.254 1.00 0.72 N ATOM 1860 CA HIS A 117 10.836 11.294 4.147 1.00 1.13 C ATOM 1861 C HIS A 117 12.102 10.904 3.378 1.00 0.90 C ATOM 1862 O HIS A 117 13.033 11.696 3.261 1.00 0.97 O ATOM 1863 CB HIS A 117 10.468 10.179 5.137 1.00 1.98 C ATOM 1864 CG HIS A 117 11.290 10.179 6.395 1.00 2.07 C ATOM 1865 ND1 HIS A 117 10.729 10.224 7.653 1.00 2.40 N ATOM 1866 CD2 HIS A 117 12.631 10.117 6.588 1.00 2.33 C ATOM 1867 CE1 HIS A 117 11.685 10.191 8.562 1.00 2.60 C ATOM 1868 NE2 HIS A 117 12.846 10.126 7.942 1.00 2.63 N ATOM 0 H HIS A 117 9.850 11.295 2.284 1.00 0.72 H new ATOM 0 HA HIS A 117 11.047 12.212 4.695 1.00 1.13 H new ATOM 0 HB2 HIS A 117 9.416 10.277 5.403 1.00 1.98 H new ATOM 0 HB3 HIS A 117 10.583 9.215 4.641 1.00 1.98 H new ATOM 0 HD2 HIS A 117 13.388 10.069 5.819 1.00 2.33 H new ATOM 0 HE1 HIS A 117 11.541 10.213 9.632 1.00 2.60 H new ATOM 0 HE2 HIS A 117 13.758 10.088 8.397 1.00 2.63 H new ATOM 1877 N PHE A 118 12.119 9.686 2.848 1.00 0.76 N ATOM 1878 CA PHE A 118 13.343 9.092 2.305 1.00 0.76 C ATOM 1879 C PHE A 118 13.564 9.503 0.851 1.00 0.65 C ATOM 1880 O PHE A 118 14.673 9.840 0.445 1.00 0.74 O ATOM 1881 CB PHE A 118 13.236 7.566 2.394 1.00 0.97 C ATOM 1882 CG PHE A 118 14.544 6.835 2.501 1.00 1.74 C ATOM 1883 CD1 PHE A 118 15.584 7.082 1.621 1.00 2.35 C ATOM 1884 CD2 PHE A 118 14.719 5.883 3.487 1.00 2.32 C ATOM 1885 CE1 PHE A 118 16.776 6.395 1.726 1.00 3.18 C ATOM 1886 CE2 PHE A 118 15.910 5.190 3.600 1.00 3.21 C ATOM 1887 CZ PHE A 118 16.941 5.448 2.718 1.00 3.54 C ATOM 0 H PHE A 118 11.297 9.086 2.781 1.00 0.76 H new ATOM 0 HA PHE A 118 14.191 9.450 2.889 1.00 0.76 H new ATOM 0 HB2 PHE A 118 12.625 7.311 3.260 1.00 0.97 H new ATOM 0 HB3 PHE A 118 12.707 7.203 1.512 1.00 0.97 H new ATOM 0 HD1 PHE A 118 15.461 7.821 0.843 1.00 2.35 H new ATOM 0 HD2 PHE A 118 13.915 5.678 4.178 1.00 2.32 H new ATOM 0 HE1 PHE A 118 17.579 6.598 1.033 1.00 3.18 H new ATOM 0 HE2 PHE A 118 16.034 4.449 4.376 1.00 3.21 H new ATOM 0 HZ PHE A 118 17.874 4.911 2.804 1.00 3.54 H new ATOM 1897 N ASP A 119 12.487 9.489 0.095 1.00 0.66 N ATOM 1898 CA ASP A 119 12.522 9.651 -1.352 1.00 0.75 C ATOM 1899 C ASP A 119 12.881 11.082 -1.725 1.00 0.74 C ATOM 1900 O ASP A 119 13.613 11.327 -2.683 1.00 0.83 O ATOM 1901 CB ASP A 119 11.146 9.283 -1.908 1.00 0.94 C ATOM 1902 CG ASP A 119 10.264 8.662 -0.838 1.00 1.34 C ATOM 1903 OD1 ASP A 119 10.002 7.436 -0.916 1.00 1.75 O ATOM 1904 OD2 ASP A 119 9.789 9.388 0.064 1.00 1.81 O ATOM 0 H ASP A 119 11.546 9.363 0.469 1.00 0.66 H new ATOM 0 HA ASP A 119 13.284 8.999 -1.778 1.00 0.75 H new ATOM 0 HB2 ASP A 119 10.663 10.175 -2.308 1.00 0.94 H new ATOM 0 HB3 ASP A 119 11.262 8.585 -2.737 1.00 0.94 H new ATOM 1909 N ARG A 120 12.361 12.021 -0.946 1.00 0.76 N ATOM 1910 CA ARG A 120 12.648 13.443 -1.129 1.00 0.89 C ATOM 1911 C ARG A 120 14.143 13.745 -1.003 1.00 0.83 C ATOM 1912 O ARG A 120 14.609 14.787 -1.456 1.00 1.00 O ATOM 1913 CB ARG A 120 11.884 14.293 -0.107 1.00 1.07 C ATOM 1914 CG ARG A 120 10.388 14.026 -0.064 1.00 1.50 C ATOM 1915 CD ARG A 120 9.645 15.173 0.598 1.00 1.71 C ATOM 1916 NE ARG A 120 9.743 16.392 -0.199 1.00 2.15 N ATOM 1917 CZ ARG A 120 9.825 17.620 0.306 1.00 2.66 C ATOM 1918 NH1 ARG A 120 9.768 17.820 1.616 1.00 2.90 N ATOM 1919 NH2 ARG A 120 9.947 18.658 -0.508 1.00 3.38 N ATOM 0 H ARG A 120 11.729 11.822 -0.170 1.00 0.76 H new ATOM 0 HA ARG A 120 12.322 13.698 -2.138 1.00 0.89 H new ATOM 0 HB2 ARG A 120 12.302 14.112 0.883 1.00 1.07 H new ATOM 0 HB3 ARG A 120 12.047 15.347 -0.334 1.00 1.07 H new ATOM 0 HG2 ARG A 120 10.012 13.882 -1.077 1.00 1.50 H new ATOM 0 HG3 ARG A 120 10.196 13.102 0.481 1.00 1.50 H new ATOM 0 HD2 ARG A 120 8.597 14.904 0.729 1.00 1.71 H new ATOM 0 HD3 ARG A 120 10.055 15.351 1.592 1.00 1.71 H new ATOM 0 HE ARG A 120 9.749 16.295 -1.214 1.00 2.15 H new ATOM 0 HH11 ARG A 120 9.660 17.027 2.249 1.00 2.90 H new ATOM 0 HH12 ARG A 120 9.832 18.767 1.991 1.00 2.90 H new ATOM 0 HH21 ARG A 120 9.978 18.514 -1.517 1.00 3.38 H new ATOM 0 HH22 ARG A 120 10.010 19.601 -0.125 1.00 3.38 H new ATOM 1933 N MET A 121 14.889 12.834 -0.378 1.00 0.73 N ATOM 1934 CA MET A 121 16.294 13.079 -0.038 1.00 0.91 C ATOM 1935 C MET A 121 17.235 13.064 -1.253 1.00 1.12 C ATOM 1936 O MET A 121 18.431 12.816 -1.105 1.00 1.41 O ATOM 1937 CB MET A 121 16.772 12.055 0.992 1.00 1.05 C ATOM 1938 CG MET A 121 16.187 12.240 2.387 1.00 1.28 C ATOM 1939 SD MET A 121 16.867 13.665 3.270 1.00 2.15 S ATOM 1940 CE MET A 121 16.010 15.033 2.489 1.00 2.43 C ATOM 0 H MET A 121 14.544 11.917 -0.095 1.00 0.73 H new ATOM 0 HA MET A 121 16.334 14.086 0.377 1.00 0.91 H new ATOM 0 HB2 MET A 121 16.520 11.056 0.636 1.00 1.05 H new ATOM 0 HB3 MET A 121 17.859 12.105 1.058 1.00 1.05 H new ATOM 0 HG2 MET A 121 15.106 12.354 2.307 1.00 1.28 H new ATOM 0 HG3 MET A 121 16.370 11.339 2.972 1.00 1.28 H new ATOM 0 HE1 MET A 121 15.720 15.761 3.247 1.00 2.43 H new ATOM 0 HE2 MET A 121 16.669 15.508 1.763 1.00 2.43 H new ATOM 0 HE3 MET A 121 15.119 14.662 1.982 1.00 2.43 H new ATOM 1950 N GLY A 122 16.723 13.317 -2.444 1.00 1.18 N ATOM 1951 CA GLY A 122 17.603 13.557 -3.572 1.00 1.61 C ATOM 1952 C GLY A 122 17.576 12.473 -4.628 1.00 1.21 C ATOM 1953 O GLY A 122 16.611 11.720 -4.737 1.00 1.30 O ATOM 0 H GLY A 122 15.726 13.361 -2.653 1.00 1.18 H new ATOM 0 HA2 GLY A 122 17.330 14.505 -4.035 1.00 1.61 H new ATOM 0 HA3 GLY A 122 18.624 13.664 -3.205 1.00 1.61 H new ATOM 1957 N THR A 123 18.671 12.391 -5.378 1.00 1.27 N ATOM 1958 CA THR A 123 18.762 11.563 -6.576 1.00 1.42 C ATOM 1959 C THR A 123 18.569 10.075 -6.298 1.00 1.27 C ATOM 1960 O THR A 123 17.481 9.538 -6.491 1.00 1.24 O ATOM 1961 CB THR A 123 20.125 11.766 -7.262 1.00 1.94 C ATOM 1962 OG1 THR A 123 21.172 11.637 -6.289 1.00 2.44 O ATOM 1963 CG2 THR A 123 20.209 13.131 -7.928 1.00 2.58 C ATOM 0 H THR A 123 19.528 12.903 -5.169 1.00 1.27 H new ATOM 0 HA THR A 123 17.949 11.885 -7.227 1.00 1.42 H new ATOM 0 HB THR A 123 20.238 11.005 -8.034 1.00 1.94 H new ATOM 0 HG1 THR A 123 22.041 11.764 -6.724 1.00 2.44 H new ATOM 0 HG21 THR A 123 21.183 13.244 -8.404 1.00 2.58 H new ATOM 0 HG22 THR A 123 19.425 13.217 -8.681 1.00 2.58 H new ATOM 0 HG23 THR A 123 20.079 13.911 -7.177 1.00 2.58 H new ATOM 1971 N LYS A 124 19.621 9.415 -5.825 1.00 1.28 N ATOM 1972 CA LYS A 124 19.615 7.963 -5.692 1.00 1.24 C ATOM 1973 C LYS A 124 18.683 7.496 -4.584 1.00 1.05 C ATOM 1974 O LYS A 124 18.353 6.316 -4.509 1.00 1.04 O ATOM 1975 CB LYS A 124 21.029 7.433 -5.460 1.00 1.43 C ATOM 1976 CG LYS A 124 21.970 7.707 -6.619 1.00 2.04 C ATOM 1977 CD LYS A 124 23.279 6.951 -6.471 1.00 2.45 C ATOM 1978 CE LYS A 124 23.055 5.446 -6.480 1.00 3.14 C ATOM 1979 NZ LYS A 124 24.332 4.695 -6.376 1.00 3.80 N ATOM 0 H LYS A 124 20.488 9.862 -5.528 1.00 1.28 H new ATOM 0 HA LYS A 124 19.238 7.556 -6.630 1.00 1.24 H new ATOM 0 HB2 LYS A 124 21.436 7.886 -4.556 1.00 1.43 H new ATOM 0 HB3 LYS A 124 20.983 6.358 -5.285 1.00 1.43 H new ATOM 0 HG2 LYS A 124 21.488 7.421 -7.554 1.00 2.04 H new ATOM 0 HG3 LYS A 124 22.172 8.776 -6.679 1.00 2.04 H new ATOM 0 HD2 LYS A 124 23.953 7.225 -7.283 1.00 2.45 H new ATOM 0 HD3 LYS A 124 23.766 7.242 -5.540 1.00 2.45 H new ATOM 0 HE2 LYS A 124 22.404 5.171 -5.650 1.00 3.14 H new ATOM 0 HE3 LYS A 124 22.540 5.161 -7.398 1.00 3.14 H new ATOM 0 HZ1 LYS A 124 24.136 3.674 -6.386 1.00 3.80 H new ATOM 0 HZ2 LYS A 124 24.944 4.938 -7.181 1.00 3.80 H new ATOM 0 HZ3 LYS A 124 24.812 4.947 -5.488 1.00 3.80 H new ATOM 1993 N HIS A 125 18.254 8.411 -3.729 1.00 0.96 N ATOM 1994 CA HIS A 125 17.255 8.080 -2.725 1.00 0.85 C ATOM 1995 C HIS A 125 15.892 7.922 -3.399 1.00 0.76 C ATOM 1996 O HIS A 125 15.202 6.907 -3.232 1.00 0.76 O ATOM 1997 CB HIS A 125 17.220 9.149 -1.628 1.00 0.85 C ATOM 1998 CG HIS A 125 18.492 9.216 -0.834 1.00 1.23 C ATOM 1999 ND1 HIS A 125 19.288 10.338 -0.762 1.00 1.80 N ATOM 2000 CD2 HIS A 125 19.113 8.276 -0.089 1.00 1.80 C ATOM 2001 CE1 HIS A 125 20.342 10.082 -0.013 1.00 2.14 C ATOM 2002 NE2 HIS A 125 20.264 8.836 0.411 1.00 2.12 N ATOM 0 H HIS A 125 18.577 9.378 -3.709 1.00 0.96 H new ATOM 0 HA HIS A 125 17.517 7.135 -2.248 1.00 0.85 H new ATOM 0 HB2 HIS A 125 17.030 10.122 -2.082 1.00 0.85 H new ATOM 0 HB3 HIS A 125 16.388 8.943 -0.954 1.00 0.85 H new ATOM 0 HD1 HIS A 125 19.092 11.229 -1.218 1.00 1.80 H new ATOM 0 HD2 HIS A 125 18.768 7.267 0.083 1.00 1.80 H new ATOM 0 HE1 HIS A 125 21.137 10.777 0.215 1.00 2.14 H new ATOM 2011 N ALA A 126 15.529 8.906 -4.206 1.00 0.77 N ATOM 2012 CA ALA A 126 14.309 8.826 -4.988 1.00 0.80 C ATOM 2013 C ALA A 126 14.426 7.718 -6.024 1.00 0.86 C ATOM 2014 O ALA A 126 13.445 7.071 -6.368 1.00 0.92 O ATOM 2015 CB ALA A 126 14.029 10.154 -5.671 1.00 0.92 C ATOM 0 H ALA A 126 16.061 9.767 -4.336 1.00 0.77 H new ATOM 0 HA ALA A 126 13.479 8.599 -4.319 1.00 0.80 H new ATOM 0 HB1 ALA A 126 13.111 10.077 -6.253 1.00 0.92 H new ATOM 0 HB2 ALA A 126 13.917 10.934 -4.918 1.00 0.92 H new ATOM 0 HB3 ALA A 126 14.858 10.405 -6.332 1.00 0.92 H new ATOM 2021 N LYS A 127 15.646 7.502 -6.500 1.00 0.92 N ATOM 2022 CA LYS A 127 15.920 6.485 -7.503 1.00 1.05 C ATOM 2023 C LYS A 127 15.803 5.079 -6.917 1.00 0.97 C ATOM 2024 O LYS A 127 15.302 4.170 -7.582 1.00 1.04 O ATOM 2025 CB LYS A 127 17.314 6.699 -8.101 1.00 1.26 C ATOM 2026 CG LYS A 127 17.643 5.780 -9.271 1.00 1.55 C ATOM 2027 CD LYS A 127 16.625 5.904 -10.398 1.00 1.93 C ATOM 2028 CE LYS A 127 16.462 7.345 -10.868 1.00 2.38 C ATOM 2029 NZ LYS A 127 17.726 7.916 -11.403 1.00 2.83 N ATOM 0 H LYS A 127 16.469 8.025 -6.202 1.00 0.92 H new ATOM 0 HA LYS A 127 15.174 6.579 -8.292 1.00 1.05 H new ATOM 0 HB2 LYS A 127 17.399 7.734 -8.432 1.00 1.26 H new ATOM 0 HB3 LYS A 127 18.059 6.552 -7.319 1.00 1.26 H new ATOM 0 HG2 LYS A 127 18.636 6.019 -9.652 1.00 1.55 H new ATOM 0 HG3 LYS A 127 17.675 4.747 -8.923 1.00 1.55 H new ATOM 0 HD2 LYS A 127 16.937 5.282 -11.237 1.00 1.93 H new ATOM 0 HD3 LYS A 127 15.662 5.522 -10.059 1.00 1.93 H new ATOM 0 HE2 LYS A 127 15.693 7.387 -11.639 1.00 2.38 H new ATOM 0 HE3 LYS A 127 16.114 7.958 -10.037 1.00 2.38 H new ATOM 0 HZ1 LYS A 127 17.550 8.879 -11.755 1.00 2.83 H new ATOM 0 HZ2 LYS A 127 18.439 7.949 -10.647 1.00 2.83 H new ATOM 0 HZ3 LYS A 127 18.074 7.320 -12.181 1.00 2.83 H new ATOM 2043 N ARG A 128 16.249 4.902 -5.672 1.00 0.94 N ATOM 2044 CA ARG A 128 16.186 3.591 -5.032 1.00 1.00 C ATOM 2045 C ARG A 128 14.736 3.197 -4.777 1.00 0.97 C ATOM 2046 O ARG A 128 14.400 2.019 -4.772 1.00 1.09 O ATOM 2047 CB ARG A 128 17.000 3.545 -3.724 1.00 1.14 C ATOM 2048 CG ARG A 128 16.418 4.360 -2.578 1.00 1.11 C ATOM 2049 CD ARG A 128 17.295 4.311 -1.335 1.00 1.34 C ATOM 2050 NE ARG A 128 17.272 2.999 -0.681 1.00 1.59 N ATOM 2051 CZ ARG A 128 18.138 2.620 0.264 1.00 1.95 C ATOM 2052 NH1 ARG A 128 19.136 3.419 0.610 1.00 2.14 N ATOM 2053 NH2 ARG A 128 18.023 1.427 0.836 1.00 2.59 N ATOM 0 H ARG A 128 16.652 5.640 -5.095 1.00 0.94 H new ATOM 0 HA ARG A 128 16.636 2.870 -5.715 1.00 1.00 H new ATOM 0 HB2 ARG A 128 17.088 2.507 -3.404 1.00 1.14 H new ATOM 0 HB3 ARG A 128 18.009 3.902 -3.929 1.00 1.14 H new ATOM 0 HG2 ARG A 128 16.298 5.396 -2.895 1.00 1.11 H new ATOM 0 HG3 ARG A 128 15.424 3.984 -2.335 1.00 1.11 H new ATOM 0 HD2 ARG A 128 18.321 4.559 -1.608 1.00 1.34 H new ATOM 0 HD3 ARG A 128 16.961 5.071 -0.629 1.00 1.34 H new ATOM 0 HE ARG A 128 16.551 2.335 -0.964 1.00 1.59 H new ATOM 0 HH11 ARG A 128 19.245 4.325 0.155 1.00 2.14 H new ATOM 0 HH12 ARG A 128 19.796 3.128 1.331 1.00 2.14 H new ATOM 0 HH21 ARG A 128 17.272 0.797 0.554 1.00 2.59 H new ATOM 0 HH22 ARG A 128 18.686 1.141 1.557 1.00 2.59 H new ATOM 2067 N VAL A 129 13.877 4.177 -4.543 1.00 0.91 N ATOM 2068 CA VAL A 129 12.448 3.896 -4.442 1.00 1.04 C ATOM 2069 C VAL A 129 11.779 3.868 -5.822 1.00 1.04 C ATOM 2070 O VAL A 129 10.809 3.132 -6.033 1.00 1.19 O ATOM 2071 CB VAL A 129 11.733 4.923 -3.535 1.00 1.16 C ATOM 2072 CG1 VAL A 129 10.311 4.484 -3.230 1.00 1.43 C ATOM 2073 CG2 VAL A 129 12.511 5.141 -2.247 1.00 1.48 C ATOM 0 H VAL A 129 14.134 5.156 -4.421 1.00 0.91 H new ATOM 0 HA VAL A 129 12.354 2.908 -3.992 1.00 1.04 H new ATOM 0 HB VAL A 129 11.688 5.870 -4.074 1.00 1.16 H new ATOM 0 HG11 VAL A 129 9.831 5.224 -2.590 1.00 1.43 H new ATOM 0 HG12 VAL A 129 9.751 4.391 -4.161 1.00 1.43 H new ATOM 0 HG13 VAL A 129 10.329 3.521 -2.720 1.00 1.43 H new ATOM 0 HG21 VAL A 129 11.988 5.868 -1.625 1.00 1.48 H new ATOM 0 HG22 VAL A 129 12.596 4.197 -1.709 1.00 1.48 H new ATOM 0 HG23 VAL A 129 13.507 5.515 -2.483 1.00 1.48 H new ATOM 2083 N ARG A 130 12.309 4.664 -6.751 1.00 0.99 N ATOM 2084 CA ARG A 130 11.743 4.797 -8.100 1.00 1.14 C ATOM 2085 C ARG A 130 11.564 3.444 -8.778 1.00 1.05 C ATOM 2086 O ARG A 130 10.545 3.193 -9.419 1.00 1.24 O ATOM 2087 CB ARG A 130 12.643 5.673 -8.980 1.00 1.30 C ATOM 2088 CG ARG A 130 12.124 5.837 -10.401 1.00 1.75 C ATOM 2089 CD ARG A 130 10.902 6.736 -10.444 1.00 1.86 C ATOM 2090 NE ARG A 130 9.965 6.352 -11.501 1.00 2.36 N ATOM 2091 CZ ARG A 130 9.754 7.053 -12.614 1.00 2.92 C ATOM 2092 NH1 ARG A 130 10.530 8.085 -12.917 1.00 3.04 N ATOM 2093 NH2 ARG A 130 8.783 6.697 -13.443 1.00 3.83 N ATOM 0 H ARG A 130 13.140 5.234 -6.594 1.00 0.99 H new ATOM 0 HA ARG A 130 10.764 5.263 -7.985 1.00 1.14 H new ATOM 0 HB2 ARG A 130 12.741 6.657 -8.521 1.00 1.30 H new ATOM 0 HB3 ARG A 130 13.641 5.237 -9.014 1.00 1.30 H new ATOM 0 HG2 ARG A 130 12.909 6.257 -11.030 1.00 1.75 H new ATOM 0 HG3 ARG A 130 11.873 4.860 -10.813 1.00 1.75 H new ATOM 0 HD2 ARG A 130 10.394 6.700 -9.481 1.00 1.86 H new ATOM 0 HD3 ARG A 130 11.218 7.768 -10.599 1.00 1.86 H new ATOM 0 HE ARG A 130 9.437 5.488 -11.377 1.00 2.36 H new ATOM 0 HH11 ARG A 130 11.295 8.347 -12.296 1.00 3.04 H new ATOM 0 HH12 ARG A 130 10.361 8.616 -13.771 1.00 3.04 H new ATOM 0 HH21 ARG A 130 8.200 5.888 -13.228 1.00 3.83 H new ATOM 0 HH22 ARG A 130 8.619 7.232 -14.296 1.00 3.83 H new ATOM 2107 N ASN A 131 12.561 2.582 -8.638 1.00 0.85 N ATOM 2108 CA ASN A 131 12.531 1.278 -9.286 1.00 0.88 C ATOM 2109 C ASN A 131 11.381 0.423 -8.758 1.00 1.08 C ATOM 2110 O ASN A 131 10.777 -0.345 -9.505 1.00 1.24 O ATOM 2111 CB ASN A 131 13.866 0.534 -9.101 1.00 0.88 C ATOM 2112 CG ASN A 131 14.326 0.476 -7.663 1.00 1.70 C ATOM 2113 OD1 ASN A 131 13.940 -0.411 -6.905 1.00 2.48 O ATOM 2114 ND2 ASN A 131 15.182 1.402 -7.286 1.00 2.04 N ATOM 0 H ASN A 131 13.398 2.761 -8.083 1.00 0.85 H new ATOM 0 HA ASN A 131 12.373 1.451 -10.351 1.00 0.88 H new ATOM 0 HB2 ASN A 131 13.763 -0.482 -9.483 1.00 0.88 H new ATOM 0 HB3 ASN A 131 14.633 1.024 -9.701 1.00 0.88 H new ATOM 0 HD21 ASN A 131 15.549 1.400 -6.334 1.00 2.04 H new ATOM 0 HD22 ASN A 131 15.478 2.122 -7.945 1.00 2.04 H new ATOM 2121 N GLY A 132 11.059 0.585 -7.485 1.00 1.23 N ATOM 2122 CA GLY A 132 10.116 -0.308 -6.846 1.00 1.61 C ATOM 2123 C GLY A 132 8.666 0.116 -6.984 1.00 1.21 C ATOM 2124 O GLY A 132 7.901 -0.499 -7.725 1.00 1.24 O ATOM 0 H GLY A 132 11.433 1.318 -6.883 1.00 1.23 H new ATOM 0 HA2 GLY A 132 10.233 -1.305 -7.270 1.00 1.61 H new ATOM 0 HA3 GLY A 132 10.362 -0.381 -5.787 1.00 1.61 H new ATOM 2128 N MET A 133 8.289 1.179 -6.287 1.00 1.24 N ATOM 2129 CA MET A 133 6.875 1.494 -6.095 1.00 1.38 C ATOM 2130 C MET A 133 6.239 2.138 -7.318 1.00 1.35 C ATOM 2131 O MET A 133 5.024 2.066 -7.489 1.00 1.56 O ATOM 2132 CB MET A 133 6.683 2.375 -4.852 1.00 2.06 C ATOM 2133 CG MET A 133 7.401 3.719 -4.892 1.00 2.92 C ATOM 2134 SD MET A 133 6.555 4.967 -5.884 1.00 3.99 S ATOM 2135 CE MET A 133 7.607 6.388 -5.592 1.00 4.83 C ATOM 0 H MET A 133 8.935 1.835 -5.847 1.00 1.24 H new ATOM 0 HA MET A 133 6.360 0.546 -5.942 1.00 1.38 H new ATOM 0 HB2 MET A 133 5.617 2.555 -4.715 1.00 2.06 H new ATOM 0 HB3 MET A 133 7.028 1.823 -3.978 1.00 2.06 H new ATOM 0 HG2 MET A 133 7.512 4.092 -3.874 1.00 2.92 H new ATOM 0 HG3 MET A 133 8.405 3.572 -5.289 1.00 2.92 H new ATOM 0 HE1 MET A 133 7.218 7.247 -6.138 1.00 4.83 H new ATOM 0 HE2 MET A 133 7.625 6.614 -4.526 1.00 4.83 H new ATOM 0 HE3 MET A 133 8.618 6.168 -5.934 1.00 4.83 H new ATOM 2145 N ASP A 134 7.045 2.733 -8.184 1.00 1.38 N ATOM 2146 CA ASP A 134 6.506 3.471 -9.326 1.00 1.84 C ATOM 2147 C ASP A 134 5.795 2.539 -10.300 1.00 1.95 C ATOM 2148 O ASP A 134 4.861 2.940 -10.993 1.00 2.41 O ATOM 2149 CB ASP A 134 7.611 4.239 -10.046 1.00 2.05 C ATOM 2150 CG ASP A 134 7.076 5.123 -11.156 1.00 2.29 C ATOM 2151 OD1 ASP A 134 6.457 6.162 -10.848 1.00 2.83 O ATOM 2152 OD2 ASP A 134 7.254 4.767 -12.341 1.00 2.28 O ATOM 0 H ASP A 134 8.063 2.723 -8.124 1.00 1.38 H new ATOM 0 HA ASP A 134 5.777 4.185 -8.942 1.00 1.84 H new ATOM 0 HB2 ASP A 134 8.151 4.853 -9.325 1.00 2.05 H new ATOM 0 HB3 ASP A 134 8.328 3.532 -10.463 1.00 2.05 H new ATOM 2157 N LYS A 135 6.227 1.285 -10.335 1.00 1.70 N ATOM 2158 CA LYS A 135 5.641 0.301 -11.239 1.00 2.03 C ATOM 2159 C LYS A 135 4.682 -0.617 -10.495 1.00 1.70 C ATOM 2160 O LYS A 135 4.289 -1.670 -11.001 1.00 2.17 O ATOM 2161 CB LYS A 135 6.740 -0.527 -11.913 1.00 2.40 C ATOM 2162 CG LYS A 135 7.753 0.290 -12.708 1.00 3.08 C ATOM 2163 CD LYS A 135 7.170 0.873 -13.993 1.00 3.44 C ATOM 2164 CE LYS A 135 6.224 2.033 -13.724 1.00 3.61 C ATOM 2165 NZ LYS A 135 5.805 2.720 -14.972 1.00 4.15 N ATOM 0 H LYS A 135 6.980 0.925 -9.749 1.00 1.70 H new ATOM 0 HA LYS A 135 5.081 0.838 -12.005 1.00 2.03 H new ATOM 0 HB2 LYS A 135 7.270 -1.094 -11.148 1.00 2.40 H new ATOM 0 HB3 LYS A 135 6.273 -1.251 -12.580 1.00 2.40 H new ATOM 0 HG2 LYS A 135 8.127 1.102 -12.084 1.00 3.08 H new ATOM 0 HG3 LYS A 135 8.606 -0.341 -12.956 1.00 3.08 H new ATOM 0 HD2 LYS A 135 7.982 1.211 -14.637 1.00 3.44 H new ATOM 0 HD3 LYS A 135 6.638 0.091 -14.535 1.00 3.44 H new ATOM 0 HE2 LYS A 135 5.341 1.665 -13.201 1.00 3.61 H new ATOM 0 HE3 LYS A 135 6.711 2.750 -13.063 1.00 3.61 H new ATOM 0 HZ1 LYS A 135 5.161 3.503 -14.738 1.00 4.15 H new ATOM 0 HZ2 LYS A 135 6.643 3.095 -15.460 1.00 4.15 H new ATOM 0 HZ3 LYS A 135 5.316 2.044 -15.593 1.00 4.15 H new ATOM 2179 N GLY A 136 4.297 -0.209 -9.298 1.00 1.04 N ATOM 2180 CA GLY A 136 3.408 -1.018 -8.499 1.00 0.79 C ATOM 2181 C GLY A 136 2.290 -0.212 -7.884 1.00 0.65 C ATOM 2182 O GLY A 136 1.121 -0.483 -8.136 1.00 0.57 O ATOM 0 H GLY A 136 4.585 0.669 -8.866 1.00 1.04 H new ATOM 0 HA2 GLY A 136 2.984 -1.807 -9.120 1.00 0.79 H new ATOM 0 HA3 GLY A 136 3.978 -1.506 -7.708 1.00 0.79 H new ATOM 2186 N TRP A 137 2.660 0.805 -7.117 1.00 0.68 N ATOM 2187 CA TRP A 137 1.719 1.562 -6.290 1.00 0.67 C ATOM 2188 C TRP A 137 0.551 2.154 -7.107 1.00 0.57 C ATOM 2189 O TRP A 137 -0.609 1.902 -6.777 1.00 0.56 O ATOM 2190 CB TRP A 137 2.475 2.664 -5.538 1.00 0.81 C ATOM 2191 CG TRP A 137 1.827 3.089 -4.254 1.00 0.66 C ATOM 2192 CD1 TRP A 137 1.086 2.313 -3.412 1.00 1.62 C ATOM 2193 CD2 TRP A 137 1.892 4.386 -3.653 1.00 0.93 C ATOM 2194 NE1 TRP A 137 0.678 3.049 -2.326 1.00 1.62 N ATOM 2195 CE2 TRP A 137 1.163 4.326 -2.451 1.00 0.98 C ATOM 2196 CE3 TRP A 137 2.496 5.593 -4.017 1.00 2.10 C ATOM 2197 CZ2 TRP A 137 1.022 5.429 -1.611 1.00 1.47 C ATOM 2198 CZ3 TRP A 137 2.355 6.685 -3.183 1.00 2.78 C ATOM 2199 CH2 TRP A 137 1.626 6.597 -1.992 1.00 2.32 C ATOM 0 H TRP A 137 3.624 1.132 -7.048 1.00 0.68 H new ATOM 0 HA TRP A 137 1.271 0.871 -5.576 1.00 0.67 H new ATOM 0 HB2 TRP A 137 3.485 2.315 -5.324 1.00 0.81 H new ATOM 0 HB3 TRP A 137 2.570 3.533 -6.189 1.00 0.81 H new ATOM 0 HD1 TRP A 137 0.854 1.271 -3.575 1.00 1.62 H new ATOM 0 HE1 TRP A 137 0.108 2.703 -1.554 1.00 1.62 H new ATOM 0 HE3 TRP A 137 3.062 5.670 -4.933 1.00 2.10 H new ATOM 0 HZ2 TRP A 137 0.457 5.365 -0.693 1.00 1.47 H new ATOM 0 HZ3 TRP A 137 2.816 7.623 -3.455 1.00 2.78 H new ATOM 0 HH2 TRP A 137 1.538 7.468 -1.360 1.00 2.32 H new ATOM 2210 N PRO A 138 0.814 2.934 -8.183 1.00 0.58 N ATOM 2211 CA PRO A 138 -0.263 3.511 -9.001 1.00 0.61 C ATOM 2212 C PRO A 138 -1.063 2.435 -9.733 1.00 0.58 C ATOM 2213 O PRO A 138 -2.276 2.563 -9.920 1.00 0.64 O ATOM 2214 CB PRO A 138 0.473 4.413 -9.996 1.00 0.68 C ATOM 2215 CG PRO A 138 1.863 3.880 -10.047 1.00 0.66 C ATOM 2216 CD PRO A 138 2.147 3.329 -8.680 1.00 0.63 C ATOM 0 HA PRO A 138 -0.993 4.048 -8.395 1.00 0.61 H new ATOM 0 HB2 PRO A 138 0.003 4.382 -10.979 1.00 0.68 H new ATOM 0 HB3 PRO A 138 0.461 5.453 -9.669 1.00 0.68 H new ATOM 0 HG2 PRO A 138 1.955 3.104 -10.807 1.00 0.66 H new ATOM 0 HG3 PRO A 138 2.573 4.666 -10.306 1.00 0.66 H new ATOM 0 HD2 PRO A 138 2.827 2.478 -8.724 1.00 0.63 H new ATOM 0 HD3 PRO A 138 2.611 4.075 -8.035 1.00 0.63 H new ATOM 2224 N THR A 139 -0.377 1.375 -10.133 1.00 0.57 N ATOM 2225 CA THR A 139 -1.016 0.241 -10.777 1.00 0.62 C ATOM 2226 C THR A 139 -1.967 -0.450 -9.793 1.00 0.54 C ATOM 2227 O THR A 139 -3.093 -0.834 -10.148 1.00 0.55 O ATOM 2228 CB THR A 139 0.051 -0.747 -11.297 1.00 0.72 C ATOM 2229 OG1 THR A 139 0.907 -0.080 -12.234 1.00 0.81 O ATOM 2230 CG2 THR A 139 -0.582 -1.963 -11.958 1.00 0.87 C ATOM 0 H THR A 139 0.632 1.278 -10.021 1.00 0.57 H new ATOM 0 HA THR A 139 -1.597 0.593 -11.629 1.00 0.62 H new ATOM 0 HB THR A 139 0.631 -1.095 -10.442 1.00 0.72 H new ATOM 0 HG1 THR A 139 1.585 -0.707 -12.562 1.00 0.81 H new ATOM 0 HG21 THR A 139 0.201 -2.634 -12.311 1.00 0.87 H new ATOM 0 HG22 THR A 139 -1.209 -2.485 -11.235 1.00 0.87 H new ATOM 0 HG23 THR A 139 -1.192 -1.642 -12.802 1.00 0.87 H new ATOM 2238 N ILE A 140 -1.510 -0.569 -8.546 1.00 0.50 N ATOM 2239 CA ILE A 140 -2.334 -1.092 -7.470 1.00 0.47 C ATOM 2240 C ILE A 140 -3.583 -0.253 -7.326 1.00 0.42 C ATOM 2241 O ILE A 140 -4.679 -0.788 -7.249 1.00 0.44 O ATOM 2242 CB ILE A 140 -1.587 -1.115 -6.115 1.00 0.51 C ATOM 2243 CG1 ILE A 140 -0.398 -2.078 -6.170 1.00 0.54 C ATOM 2244 CG2 ILE A 140 -2.532 -1.505 -4.982 1.00 0.54 C ATOM 2245 CD1 ILE A 140 0.386 -2.163 -4.877 1.00 0.72 C ATOM 0 H ILE A 140 -0.566 -0.307 -8.261 1.00 0.50 H new ATOM 0 HA ILE A 140 -2.589 -2.119 -7.733 1.00 0.47 H new ATOM 0 HB ILE A 140 -1.211 -0.111 -5.920 1.00 0.51 H new ATOM 0 HG12 ILE A 140 -0.761 -3.073 -6.429 1.00 0.54 H new ATOM 0 HG13 ILE A 140 0.273 -1.765 -6.970 1.00 0.54 H new ATOM 0 HG21 ILE A 140 -1.985 -1.515 -4.039 1.00 0.54 H new ATOM 0 HG22 ILE A 140 -3.346 -0.782 -4.922 1.00 0.54 H new ATOM 0 HG23 ILE A 140 -2.941 -2.497 -5.174 1.00 0.54 H new ATOM 0 HD11 ILE A 140 1.211 -2.865 -4.997 1.00 0.72 H new ATOM 0 HD12 ILE A 140 0.781 -1.179 -4.626 1.00 0.72 H new ATOM 0 HD13 ILE A 140 -0.269 -2.506 -4.076 1.00 0.72 H new ATOM 2257 N LEU A 141 -3.405 1.065 -7.327 1.00 0.39 N ATOM 2258 CA LEU A 141 -4.517 1.991 -7.167 1.00 0.36 C ATOM 2259 C LEU A 141 -5.607 1.735 -8.202 1.00 0.38 C ATOM 2260 O LEU A 141 -6.784 1.720 -7.875 1.00 0.42 O ATOM 2261 CB LEU A 141 -4.036 3.443 -7.269 1.00 0.38 C ATOM 2262 CG LEU A 141 -3.010 3.872 -6.215 1.00 0.43 C ATOM 2263 CD1 LEU A 141 -2.853 5.389 -6.211 1.00 0.69 C ATOM 2264 CD2 LEU A 141 -3.409 3.361 -4.835 1.00 0.56 C ATOM 0 H LEU A 141 -2.496 1.515 -7.437 1.00 0.39 H new ATOM 0 HA LEU A 141 -4.938 1.825 -6.175 1.00 0.36 H new ATOM 0 HB2 LEU A 141 -3.602 3.595 -8.257 1.00 0.38 H new ATOM 0 HB3 LEU A 141 -4.902 4.101 -7.197 1.00 0.38 H new ATOM 0 HG LEU A 141 -2.047 3.431 -6.471 1.00 0.43 H new ATOM 0 HD11 LEU A 141 -2.121 5.677 -5.457 1.00 0.69 H new ATOM 0 HD12 LEU A 141 -2.514 5.722 -7.192 1.00 0.69 H new ATOM 0 HD13 LEU A 141 -3.812 5.853 -5.982 1.00 0.69 H new ATOM 0 HD21 LEU A 141 -2.667 3.677 -4.102 1.00 0.56 H new ATOM 0 HD22 LEU A 141 -4.383 3.768 -4.564 1.00 0.56 H new ATOM 0 HD23 LEU A 141 -3.462 2.272 -4.852 1.00 0.56 H new ATOM 2276 N GLN A 142 -5.218 1.502 -9.443 1.00 0.43 N ATOM 2277 CA GLN A 142 -6.201 1.303 -10.505 1.00 0.48 C ATOM 2278 C GLN A 142 -7.030 0.044 -10.249 1.00 0.47 C ATOM 2279 O GLN A 142 -8.257 0.067 -10.347 1.00 0.48 O ATOM 2280 CB GLN A 142 -5.516 1.219 -11.872 1.00 0.58 C ATOM 2281 CG GLN A 142 -4.621 2.411 -12.190 1.00 0.88 C ATOM 2282 CD GLN A 142 -5.360 3.737 -12.157 1.00 0.78 C ATOM 2283 OE1 GLN A 142 -5.910 4.184 -13.162 1.00 1.49 O ATOM 2284 NE2 GLN A 142 -5.373 4.379 -11.001 1.00 0.77 N ATOM 0 H GLN A 142 -4.245 1.446 -9.742 1.00 0.43 H new ATOM 0 HA GLN A 142 -6.871 2.163 -10.507 1.00 0.48 H new ATOM 0 HB2 GLN A 142 -4.919 0.308 -11.913 1.00 0.58 H new ATOM 0 HB3 GLN A 142 -6.280 1.134 -12.645 1.00 0.58 H new ATOM 0 HG2 GLN A 142 -3.800 2.442 -11.474 1.00 0.88 H new ATOM 0 HG3 GLN A 142 -4.179 2.273 -13.177 1.00 0.88 H new ATOM 0 HE21 GLN A 142 -4.905 3.976 -10.189 1.00 0.77 H new ATOM 0 HE22 GLN A 142 -5.851 5.277 -10.922 1.00 0.77 H new ATOM 2293 N SER A 143 -6.362 -1.044 -9.899 1.00 0.49 N ATOM 2294 CA SER A 143 -7.063 -2.287 -9.595 1.00 0.53 C ATOM 2295 C SER A 143 -7.733 -2.215 -8.219 1.00 0.45 C ATOM 2296 O SER A 143 -8.674 -2.957 -7.931 1.00 0.46 O ATOM 2297 CB SER A 143 -6.099 -3.463 -9.670 1.00 0.64 C ATOM 2298 OG SER A 143 -5.483 -3.527 -10.945 1.00 1.15 O ATOM 0 H SER A 143 -5.346 -1.095 -9.818 1.00 0.49 H new ATOM 0 HA SER A 143 -7.847 -2.434 -10.338 1.00 0.53 H new ATOM 0 HB2 SER A 143 -5.337 -3.364 -8.897 1.00 0.64 H new ATOM 0 HB3 SER A 143 -6.635 -4.392 -9.473 1.00 0.64 H new ATOM 0 HG SER A 143 -4.866 -4.288 -10.972 1.00 1.15 H new ATOM 2304 N PHE A 144 -7.227 -1.324 -7.378 1.00 0.40 N ATOM 2305 CA PHE A 144 -7.791 -1.072 -6.062 1.00 0.36 C ATOM 2306 C PHE A 144 -9.226 -0.573 -6.207 1.00 0.32 C ATOM 2307 O PHE A 144 -10.164 -1.168 -5.666 1.00 0.34 O ATOM 2308 CB PHE A 144 -6.918 -0.036 -5.341 1.00 0.35 C ATOM 2309 CG PHE A 144 -7.381 0.371 -3.972 1.00 0.39 C ATOM 2310 CD1 PHE A 144 -7.158 -0.442 -2.876 1.00 0.62 C ATOM 2311 CD2 PHE A 144 -8.012 1.588 -3.780 1.00 0.51 C ATOM 2312 CE1 PHE A 144 -7.558 -0.049 -1.614 1.00 0.80 C ATOM 2313 CE2 PHE A 144 -8.419 1.984 -2.522 1.00 0.68 C ATOM 2314 CZ PHE A 144 -8.191 1.164 -1.438 1.00 0.78 C ATOM 0 H PHE A 144 -6.409 -0.753 -7.592 1.00 0.40 H new ATOM 0 HA PHE A 144 -7.809 -1.990 -5.474 1.00 0.36 H new ATOM 0 HB2 PHE A 144 -5.907 -0.435 -5.258 1.00 0.35 H new ATOM 0 HB3 PHE A 144 -6.858 0.857 -5.964 1.00 0.35 H new ATOM 0 HD1 PHE A 144 -6.666 -1.394 -3.008 1.00 0.62 H new ATOM 0 HD2 PHE A 144 -8.188 2.236 -4.626 1.00 0.51 H new ATOM 0 HE1 PHE A 144 -7.375 -0.691 -0.765 1.00 0.80 H new ATOM 0 HE2 PHE A 144 -8.915 2.934 -2.387 1.00 0.68 H new ATOM 0 HZ PHE A 144 -8.507 1.471 -0.452 1.00 0.78 H new ATOM 2324 N GLN A 145 -9.397 0.498 -6.981 1.00 0.29 N ATOM 2325 CA GLN A 145 -10.727 1.007 -7.286 1.00 0.31 C ATOM 2326 C GLN A 145 -11.508 -0.006 -8.103 1.00 0.35 C ATOM 2327 O GLN A 145 -12.723 -0.073 -8.005 1.00 0.42 O ATOM 2328 CB GLN A 145 -10.679 2.324 -8.056 1.00 0.33 C ATOM 2329 CG GLN A 145 -10.308 3.518 -7.204 1.00 0.41 C ATOM 2330 CD GLN A 145 -8.824 3.756 -7.154 1.00 0.74 C ATOM 2331 OE1 GLN A 145 -8.141 3.282 -6.253 1.00 1.63 O ATOM 2332 NE2 GLN A 145 -8.307 4.475 -8.138 1.00 0.66 N ATOM 0 H GLN A 145 -8.634 1.025 -7.405 1.00 0.29 H new ATOM 0 HA GLN A 145 -11.220 1.184 -6.330 1.00 0.31 H new ATOM 0 HB2 GLN A 145 -9.959 2.232 -8.869 1.00 0.33 H new ATOM 0 HB3 GLN A 145 -11.653 2.503 -8.511 1.00 0.33 H new ATOM 0 HG2 GLN A 145 -10.801 4.407 -7.597 1.00 0.41 H new ATOM 0 HG3 GLN A 145 -10.682 3.367 -6.191 1.00 0.41 H new ATOM 0 HE21 GLN A 145 -8.913 4.851 -8.868 1.00 0.66 H new ATOM 0 HE22 GLN A 145 -7.303 4.653 -8.166 1.00 0.66 H new ATOM 2341 N ASP A 146 -10.801 -0.791 -8.912 1.00 0.36 N ATOM 2342 CA ASP A 146 -11.444 -1.774 -9.785 1.00 0.43 C ATOM 2343 C ASP A 146 -12.311 -2.740 -8.988 1.00 0.40 C ATOM 2344 O ASP A 146 -13.507 -2.867 -9.253 1.00 0.44 O ATOM 2345 CB ASP A 146 -10.401 -2.554 -10.588 1.00 0.55 C ATOM 2346 CG ASP A 146 -11.031 -3.490 -11.605 1.00 0.91 C ATOM 2347 OD1 ASP A 146 -11.259 -3.067 -12.756 1.00 1.04 O ATOM 2348 OD2 ASP A 146 -11.315 -4.654 -11.248 1.00 1.46 O ATOM 0 H ASP A 146 -9.784 -0.767 -8.982 1.00 0.36 H new ATOM 0 HA ASP A 146 -12.085 -1.226 -10.476 1.00 0.43 H new ATOM 0 HB2 ASP A 146 -9.744 -1.853 -11.103 1.00 0.55 H new ATOM 0 HB3 ASP A 146 -9.778 -3.131 -9.905 1.00 0.55 H new ATOM 2353 N LYS A 147 -11.723 -3.407 -8.000 1.00 0.42 N ATOM 2354 CA LYS A 147 -12.482 -4.339 -7.185 1.00 0.51 C ATOM 2355 C LYS A 147 -13.506 -3.600 -6.325 1.00 0.48 C ATOM 2356 O LYS A 147 -14.636 -4.058 -6.154 1.00 0.58 O ATOM 2357 CB LYS A 147 -11.567 -5.167 -6.285 1.00 0.64 C ATOM 2358 CG LYS A 147 -12.285 -6.350 -5.669 1.00 0.92 C ATOM 2359 CD LYS A 147 -12.624 -7.397 -6.718 1.00 1.03 C ATOM 2360 CE LYS A 147 -13.617 -8.416 -6.189 1.00 1.25 C ATOM 2361 NZ LYS A 147 -14.961 -7.815 -5.992 1.00 1.74 N ATOM 0 H LYS A 147 -10.738 -3.320 -7.749 1.00 0.42 H new ATOM 0 HA LYS A 147 -13.003 -5.012 -7.866 1.00 0.51 H new ATOM 0 HB2 LYS A 147 -10.716 -5.523 -6.865 1.00 0.64 H new ATOM 0 HB3 LYS A 147 -11.170 -4.533 -5.492 1.00 0.64 H new ATOM 0 HG2 LYS A 147 -11.659 -6.796 -4.896 1.00 0.92 H new ATOM 0 HG3 LYS A 147 -13.199 -6.010 -5.182 1.00 0.92 H new ATOM 0 HD2 LYS A 147 -13.038 -6.909 -7.600 1.00 1.03 H new ATOM 0 HD3 LYS A 147 -11.713 -7.905 -7.033 1.00 1.03 H new ATOM 0 HE2 LYS A 147 -13.689 -9.251 -6.886 1.00 1.25 H new ATOM 0 HE3 LYS A 147 -13.256 -8.820 -5.243 1.00 1.25 H new ATOM 0 HZ1 LYS A 147 -15.655 -8.568 -5.811 1.00 1.74 H new ATOM 0 HZ2 LYS A 147 -14.935 -7.166 -5.180 1.00 1.74 H new ATOM 0 HZ3 LYS A 147 -15.235 -7.290 -6.847 1.00 1.74 H new ATOM 2375 N ILE A 148 -13.101 -2.450 -5.796 1.00 0.39 N ATOM 2376 CA ILE A 148 -13.960 -1.665 -4.915 1.00 0.40 C ATOM 2377 C ILE A 148 -15.184 -1.118 -5.651 1.00 0.42 C ATOM 2378 O ILE A 148 -16.283 -1.072 -5.102 1.00 0.50 O ATOM 2379 CB ILE A 148 -13.172 -0.502 -4.281 1.00 0.35 C ATOM 2380 CG1 ILE A 148 -12.200 -1.045 -3.233 1.00 0.38 C ATOM 2381 CG2 ILE A 148 -14.112 0.525 -3.671 1.00 0.46 C ATOM 2382 CD1 ILE A 148 -11.365 0.023 -2.566 1.00 0.37 C ATOM 0 H ILE A 148 -12.182 -2.040 -5.962 1.00 0.39 H new ATOM 0 HA ILE A 148 -14.309 -2.335 -4.129 1.00 0.40 H new ATOM 0 HB ILE A 148 -12.601 -0.000 -5.062 1.00 0.35 H new ATOM 0 HG12 ILE A 148 -12.765 -1.581 -2.470 1.00 0.38 H new ATOM 0 HG13 ILE A 148 -11.537 -1.769 -3.706 1.00 0.38 H new ATOM 0 HG21 ILE A 148 -13.530 1.335 -3.231 1.00 0.46 H new ATOM 0 HG22 ILE A 148 -14.764 0.927 -4.446 1.00 0.46 H new ATOM 0 HG23 ILE A 148 -14.717 0.051 -2.898 1.00 0.46 H new ATOM 0 HD11 ILE A 148 -10.700 -0.438 -1.836 1.00 0.37 H new ATOM 0 HD12 ILE A 148 -10.772 0.544 -3.318 1.00 0.37 H new ATOM 0 HD13 ILE A 148 -12.019 0.735 -2.063 1.00 0.37 H new ATOM 2394 N ASP A 149 -14.990 -0.716 -6.895 1.00 0.41 N ATOM 2395 CA ASP A 149 -16.069 -0.151 -7.697 1.00 0.49 C ATOM 2396 C ASP A 149 -17.154 -1.195 -7.936 1.00 0.55 C ATOM 2397 O ASP A 149 -18.319 -0.856 -8.137 1.00 0.64 O ATOM 2398 CB ASP A 149 -15.516 0.369 -9.026 1.00 0.54 C ATOM 2399 CG ASP A 149 -16.500 1.231 -9.794 1.00 0.65 C ATOM 2400 OD1 ASP A 149 -16.631 2.429 -9.463 1.00 0.85 O ATOM 2401 OD2 ASP A 149 -17.113 0.730 -10.757 1.00 0.77 O ATOM 0 H ASP A 149 -14.092 -0.769 -7.376 1.00 0.41 H new ATOM 0 HA ASP A 149 -16.513 0.684 -7.155 1.00 0.49 H new ATOM 0 HB2 ASP A 149 -14.612 0.947 -8.833 1.00 0.54 H new ATOM 0 HB3 ASP A 149 -15.226 -0.479 -9.647 1.00 0.54 H new ATOM 2406 N GLU A 150 -16.769 -2.474 -7.889 1.00 0.57 N ATOM 2407 CA GLU A 150 -17.731 -3.565 -8.013 1.00 0.68 C ATOM 2408 C GLU A 150 -18.606 -3.617 -6.777 1.00 0.75 C ATOM 2409 O GLU A 150 -19.813 -3.845 -6.861 1.00 0.89 O ATOM 2410 CB GLU A 150 -17.033 -4.912 -8.182 1.00 0.76 C ATOM 2411 CG GLU A 150 -16.121 -4.993 -9.386 1.00 0.78 C ATOM 2412 CD GLU A 150 -15.660 -6.407 -9.649 1.00 1.10 C ATOM 2413 OE1 GLU A 150 -15.381 -7.133 -8.676 1.00 1.45 O ATOM 2414 OE2 GLU A 150 -15.549 -6.791 -10.833 1.00 1.50 O ATOM 0 H GLU A 150 -15.802 -2.775 -7.767 1.00 0.57 H new ATOM 0 HA GLU A 150 -18.336 -3.375 -8.900 1.00 0.68 H new ATOM 0 HB2 GLU A 150 -16.451 -5.121 -7.285 1.00 0.76 H new ATOM 0 HB3 GLU A 150 -17.789 -5.693 -8.260 1.00 0.76 H new ATOM 0 HG2 GLU A 150 -16.644 -4.612 -10.264 1.00 0.78 H new ATOM 0 HG3 GLU A 150 -15.254 -4.352 -9.228 1.00 0.78 H new ATOM 2421 N GLU A 151 -17.975 -3.391 -5.632 1.00 0.72 N ATOM 2422 CA GLU A 151 -18.676 -3.352 -4.356 1.00 0.84 C ATOM 2423 C GLU A 151 -19.630 -2.160 -4.350 1.00 0.88 C ATOM 2424 O GLU A 151 -20.581 -2.103 -3.570 1.00 1.06 O ATOM 2425 CB GLU A 151 -17.680 -3.235 -3.194 1.00 0.86 C ATOM 2426 CG GLU A 151 -16.515 -4.215 -3.265 1.00 0.95 C ATOM 2427 CD GLU A 151 -16.954 -5.662 -3.346 1.00 1.39 C ATOM 2428 OE1 GLU A 151 -16.810 -6.272 -4.424 1.00 1.74 O ATOM 2429 OE2 GLU A 151 -17.441 -6.202 -2.330 1.00 1.63 O ATOM 0 H GLU A 151 -16.970 -3.231 -5.562 1.00 0.72 H new ATOM 0 HA GLU A 151 -19.239 -4.277 -4.228 1.00 0.84 H new ATOM 0 HB2 GLU A 151 -17.284 -2.220 -3.171 1.00 0.86 H new ATOM 0 HB3 GLU A 151 -18.214 -3.391 -2.256 1.00 0.86 H new ATOM 0 HG2 GLU A 151 -15.903 -3.979 -4.136 1.00 0.95 H new ATOM 0 HG3 GLU A 151 -15.884 -4.083 -2.386 1.00 0.95 H new ATOM 2436 N GLY A 152 -19.344 -1.206 -5.229 1.00 0.84 N ATOM 2437 CA GLY A 152 -20.238 -0.096 -5.450 1.00 0.96 C ATOM 2438 C GLY A 152 -21.347 -0.458 -6.419 1.00 1.04 C ATOM 2439 O GLY A 152 -22.439 -0.840 -5.999 1.00 1.32 O ATOM 0 H GLY A 152 -18.497 -1.187 -5.797 1.00 0.84 H new ATOM 0 HA2 GLY A 152 -20.672 0.218 -4.500 1.00 0.96 H new ATOM 0 HA3 GLY A 152 -19.676 0.753 -5.840 1.00 0.96 H new ATOM 2443 N ALA A 153 -21.063 -0.380 -7.720 1.00 1.14 N ATOM 2444 CA ALA A 153 -22.088 -0.629 -8.728 1.00 1.47 C ATOM 2445 C ALA A 153 -21.506 -1.091 -10.067 1.00 1.29 C ATOM 2446 O ALA A 153 -22.218 -1.138 -11.070 1.00 1.70 O ATOM 2447 CB ALA A 153 -22.921 0.625 -8.931 1.00 1.92 C ATOM 0 H ALA A 153 -20.143 -0.149 -8.095 1.00 1.14 H new ATOM 0 HA ALA A 153 -22.713 -1.441 -8.357 1.00 1.47 H new ATOM 0 HB1 ALA A 153 -23.686 0.436 -9.684 1.00 1.92 H new ATOM 0 HB2 ALA A 153 -23.398 0.901 -7.991 1.00 1.92 H new ATOM 0 HB3 ALA A 153 -22.277 1.439 -9.264 1.00 1.92 H new ATOM 2453 N LYS A 154 -20.225 -1.449 -10.084 1.00 1.09 N ATOM 2454 CA LYS A 154 -19.574 -1.889 -11.322 1.00 1.02 C ATOM 2455 C LYS A 154 -20.199 -3.176 -11.855 1.00 1.38 C ATOM 2456 O LYS A 154 -20.253 -3.400 -13.065 1.00 2.04 O ATOM 2457 CB LYS A 154 -18.076 -2.115 -11.102 1.00 0.91 C ATOM 2458 CG LYS A 154 -17.354 -2.620 -12.344 1.00 1.02 C ATOM 2459 CD LYS A 154 -15.880 -2.899 -12.092 1.00 0.95 C ATOM 2460 CE LYS A 154 -15.119 -1.652 -11.677 1.00 0.73 C ATOM 2461 NZ LYS A 154 -15.367 -0.508 -12.595 1.00 1.32 N ATOM 0 H LYS A 154 -19.618 -1.445 -9.264 1.00 1.09 H new ATOM 0 HA LYS A 154 -19.718 -1.096 -12.056 1.00 1.02 H new ATOM 0 HB2 LYS A 154 -17.618 -1.180 -10.779 1.00 0.91 H new ATOM 0 HB3 LYS A 154 -17.939 -2.833 -10.293 1.00 0.91 H new ATOM 0 HG2 LYS A 154 -17.837 -3.532 -12.695 1.00 1.02 H new ATOM 0 HG3 LYS A 154 -17.449 -1.882 -13.140 1.00 1.02 H new ATOM 0 HD2 LYS A 154 -15.784 -3.656 -11.314 1.00 0.95 H new ATOM 0 HD3 LYS A 154 -15.431 -3.312 -12.995 1.00 0.95 H new ATOM 0 HE2 LYS A 154 -15.409 -1.372 -10.664 1.00 0.73 H new ATOM 0 HE3 LYS A 154 -14.052 -1.871 -11.653 1.00 0.73 H new ATOM 0 HZ1 LYS A 154 -14.499 0.058 -12.686 1.00 1.32 H new ATOM 0 HZ2 LYS A 154 -15.646 -0.867 -13.530 1.00 1.32 H new ATOM 0 HZ3 LYS A 154 -16.129 0.086 -12.211 1.00 1.32 H new ATOM 2475 N LYS A 155 -20.661 -4.020 -10.951 1.00 1.82 N ATOM 2476 CA LYS A 155 -21.214 -5.308 -11.334 1.00 2.44 C ATOM 2477 C LYS A 155 -22.735 -5.314 -11.171 1.00 3.14 C ATOM 2478 O LYS A 155 -23.251 -6.037 -10.294 1.00 3.71 O ATOM 2479 CB LYS A 155 -20.561 -6.419 -10.509 1.00 2.82 C ATOM 2480 CG LYS A 155 -20.585 -6.167 -9.012 1.00 2.95 C ATOM 2481 CD LYS A 155 -20.007 -7.338 -8.243 1.00 3.46 C ATOM 2482 CE LYS A 155 -20.060 -7.101 -6.743 1.00 3.45 C ATOM 2483 NZ LYS A 155 -19.512 -8.251 -5.981 1.00 4.22 N ATOM 2484 OXT LYS A 155 -23.409 -4.572 -11.913 1.00 3.60 O ATOM 0 H LYS A 155 -20.665 -3.838 -9.947 1.00 1.82 H new ATOM 0 HA LYS A 155 -20.998 -5.489 -12.387 1.00 2.44 H new ATOM 0 HB2 LYS A 155 -21.070 -7.360 -10.718 1.00 2.82 H new ATOM 0 HB3 LYS A 155 -19.527 -6.538 -10.831 1.00 2.82 H new ATOM 0 HG2 LYS A 155 -20.017 -5.265 -8.785 1.00 2.95 H new ATOM 0 HG3 LYS A 155 -21.610 -5.988 -8.688 1.00 2.95 H new ATOM 0 HD2 LYS A 155 -20.560 -8.244 -8.489 1.00 3.46 H new ATOM 0 HD3 LYS A 155 -18.974 -7.502 -8.550 1.00 3.46 H new ATOM 0 HE2 LYS A 155 -19.496 -6.201 -6.498 1.00 3.45 H new ATOM 0 HE3 LYS A 155 -21.092 -6.923 -6.440 1.00 3.45 H new ATOM 0 HZ1 LYS A 155 -19.566 -8.050 -4.962 1.00 4.22 H new ATOM 0 HZ2 LYS A 155 -20.066 -9.105 -6.195 1.00 4.22 H new ATOM 0 HZ3 LYS A 155 -18.520 -8.405 -6.251 1.00 4.22 H new