USER MOD reduce.3.24.130724 H: found=0, std=0, add=1230, rem=0, adj=33 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 93 ASN : amide:sc= -0.897 K(o=-0.9,f=-2.6!) USER MOD Set 1.2: A 94 SER OG : rot -160:sc= 0 USER MOD Set 1.3: A 117 HIS : no HD1:sc= 0 X(o=-0.9,f=-0.9) USER MOD Set 1.4: A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 33 ASN : amide:sc= -4.22! K(o=-8.7!,f=-4.9) USER MOD Set 2.2: A 84 ASN : amide:sc= -3.25! C(o=-8.7!,f=-6.9!) USER MOD Set 2.3: A 133 MET CE :methyl 167:sc= -1.23 (180deg=-1.79) USER MOD Single : A 1 ASN : amide:sc= -2.07! C(o=-2.1!,f=-5.7!) USER MOD Single : A 1 ASN N :NH3+ -160:sc= 0.521 (180deg=0.294) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -5.43! C(o=-5.4!,f=-6!) USER MOD Single : A 9 SER OG : rot 46:sc= 0.00145 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.799 USER MOD Single : A 13 LYS NZ :NH3+ 140:sc= 1.03 (180deg=0.107) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -80:sc= 0.658 USER MOD Single : A 21 LYS NZ :NH3+ -156:sc= 1.26 (180deg=1.18) USER MOD Single : A 22 THR OG1 : rot 86:sc= 1.27 USER MOD Single : A 34 ASN : amide:sc= 1.3 K(o=1.3,f=-9.4!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00891 USER MOD Single : A 38 THR OG1 : rot 14:sc= 0.751 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0.815 (180deg=0.815) USER MOD Single : A 48 LYS NZ :NH3+ 150:sc= 0.684 (180deg=0.222) USER MOD Single : A 49 LYS NZ :NH3+ 146:sc= 1.19 (180deg=1) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -2.44! C(o=-2.4!,f=-1.3!) USER MOD Single : A 63 HIS : no HD1:sc= -2.75! C(o=-2.6!,f=-5.7!) USER MOD Single : A 64 THR OG1 : rot 48:sc= 0.159 USER MOD Single : A 70 LYS NZ :NH3+ 178:sc= 1.19 (180deg=1.09) USER MOD Single : A 76 THR OG1 : rot -85:sc= 0.78 USER MOD Single : A 95 SER OG : rot -140:sc= -0.104 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= -0.645 K(o=-0.64,f=-2.2!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot -6:sc= 0.761 USER MOD Single : A 115 HIS : no HE2:sc= -3.28! C(o=-3.3!,f=-11!) USER MOD Single : A 116 THR OG1 : rot 55:sc= 0.285 USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.0826 USER MOD Single : A 124 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0204) USER MOD Single : A 125 HIS : no HE2:sc= 0.00106 K(o=0.0011,f=-3.8!) USER MOD Single : A 127 LYS NZ :NH3+ 170:sc=-0.00368 (180deg=-0.122) USER MOD Single : A 131 ASN : amide:sc= -1 X(o=-1,f=-1.3) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 135:sc= 0.999 USER MOD Single : A 142 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.24) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 145 GLN : amide:sc= -3.72! C(o=-3.7!,f=-6!) USER MOD Single : A 147 LYS NZ :NH3+ -118:sc= 2.05 (180deg=0.0856) USER MOD Single : A 154 LYS NZ :NH3+ -167:sc= 1.06 (180deg=0.554) USER MOD Single : A 155 LYS NZ :NH3+ 145:sc= -2.19 (180deg=-4.19!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 5.878 14.150 -8.215 1.00 1.65 N ATOM 2 CA ASN A 1 5.799 14.465 -6.770 1.00 1.32 C ATOM 3 C ASN A 1 6.772 13.592 -5.969 1.00 1.24 C ATOM 4 O ASN A 1 6.596 12.383 -5.863 1.00 1.61 O ATOM 5 CB ASN A 1 4.345 14.318 -6.272 1.00 1.23 C ATOM 6 CG ASN A 1 3.772 12.917 -6.414 1.00 1.26 C ATOM 7 OD1 ASN A 1 4.206 12.124 -7.249 1.00 1.66 O ATOM 8 ND2 ASN A 1 2.748 12.630 -5.622 1.00 1.42 N ATOM 0 H1 ASN A 1 5.492 14.944 -8.765 1.00 1.65 H new ATOM 0 H2 ASN A 1 6.871 13.994 -8.483 1.00 1.65 H new ATOM 0 H3 ASN A 1 5.327 13.291 -8.414 1.00 1.65 H new ATOM 0 HA ASN A 1 6.099 15.502 -6.616 1.00 1.32 H new ATOM 0 HB2 ASN A 1 4.302 14.611 -5.223 1.00 1.23 H new ATOM 0 HB3 ASN A 1 3.713 15.014 -6.823 1.00 1.23 H new ATOM 0 HD21 ASN A 1 2.288 11.722 -5.692 1.00 1.42 H new ATOM 0 HD22 ASN A 1 2.420 13.317 -4.943 1.00 1.42 H new ATOM 17 N TYR A 2 7.823 14.237 -5.446 1.00 1.16 N ATOM 18 CA TYR A 2 8.916 13.583 -4.692 1.00 1.12 C ATOM 19 C TYR A 2 9.655 14.648 -3.898 1.00 1.22 C ATOM 20 O TYR A 2 10.013 14.446 -2.743 1.00 1.20 O ATOM 21 CB TYR A 2 9.942 12.912 -5.629 1.00 1.31 C ATOM 22 CG TYR A 2 9.404 11.822 -6.533 1.00 1.67 C ATOM 23 CD1 TYR A 2 9.155 10.548 -6.037 1.00 2.21 C ATOM 24 CD2 TYR A 2 9.133 12.068 -7.874 1.00 1.84 C ATOM 25 CE1 TYR A 2 8.657 9.550 -6.851 1.00 2.90 C ATOM 26 CE2 TYR A 2 8.633 11.073 -8.694 1.00 2.43 C ATOM 27 CZ TYR A 2 8.438 9.823 -8.209 1.00 2.97 C ATOM 28 OH TYR A 2 7.894 8.825 -8.988 1.00 3.73 O ATOM 0 H TYR A 2 7.946 15.246 -5.533 1.00 1.16 H new ATOM 0 HA TYR A 2 8.472 12.821 -4.052 1.00 1.12 H new ATOM 0 HB2 TYR A 2 10.393 13.684 -6.253 1.00 1.31 H new ATOM 0 HB3 TYR A 2 10.740 12.489 -5.018 1.00 1.31 H new ATOM 0 HD1 TYR A 2 9.354 10.335 -4.997 1.00 2.21 H new ATOM 0 HD2 TYR A 2 9.316 13.051 -8.282 1.00 1.84 H new ATOM 0 HE1 TYR A 2 8.439 8.572 -6.447 1.00 2.90 H new ATOM 0 HE2 TYR A 2 8.397 11.293 -9.725 1.00 2.43 H new ATOM 0 HH TYR A 2 7.794 9.146 -9.908 1.00 3.73 H new ATOM 38 N ASP A 3 9.872 15.789 -4.547 1.00 1.44 N ATOM 39 CA ASP A 3 10.678 16.868 -3.981 1.00 1.65 C ATOM 40 C ASP A 3 10.089 17.410 -2.672 1.00 1.53 C ATOM 41 O ASP A 3 10.792 17.461 -1.667 1.00 1.62 O ATOM 42 CB ASP A 3 10.852 17.998 -5.001 1.00 1.99 C ATOM 43 CG ASP A 3 11.856 19.035 -4.547 1.00 2.44 C ATOM 44 OD1 ASP A 3 13.068 18.821 -4.765 1.00 2.78 O ATOM 45 OD2 ASP A 3 11.449 20.063 -3.977 1.00 2.63 O ATOM 0 H ASP A 3 9.497 15.991 -5.474 1.00 1.44 H new ATOM 0 HA ASP A 3 11.656 16.449 -3.743 1.00 1.65 H new ATOM 0 HB2 ASP A 3 11.174 17.577 -5.954 1.00 1.99 H new ATOM 0 HB3 ASP A 3 9.889 18.479 -5.174 1.00 1.99 H new ATOM 50 N PRO A 4 8.807 17.844 -2.652 1.00 1.46 N ATOM 51 CA PRO A 4 8.173 18.322 -1.436 1.00 1.45 C ATOM 52 C PRO A 4 7.444 17.212 -0.682 1.00 1.27 C ATOM 53 O PRO A 4 7.799 16.882 0.452 1.00 1.34 O ATOM 54 CB PRO A 4 7.179 19.371 -1.946 1.00 1.61 C ATOM 55 CG PRO A 4 7.000 19.108 -3.413 1.00 1.63 C ATOM 56 CD PRO A 4 7.885 17.945 -3.785 1.00 1.52 C ATOM 0 HA PRO A 4 8.899 18.713 -0.724 1.00 1.45 H new ATOM 0 HB2 PRO A 4 6.228 19.294 -1.419 1.00 1.61 H new ATOM 0 HB3 PRO A 4 7.557 20.379 -1.776 1.00 1.61 H new ATOM 0 HG2 PRO A 4 5.957 18.881 -3.636 1.00 1.63 H new ATOM 0 HG3 PRO A 4 7.265 19.991 -3.994 1.00 1.63 H new ATOM 0 HD2 PRO A 4 7.310 17.029 -3.918 1.00 1.52 H new ATOM 0 HD3 PRO A 4 8.415 18.127 -4.720 1.00 1.52 H new ATOM 64 N PHE A 5 6.421 16.651 -1.315 1.00 1.17 N ATOM 65 CA PHE A 5 5.634 15.586 -0.724 1.00 1.11 C ATOM 66 C PHE A 5 5.043 14.713 -1.818 1.00 0.94 C ATOM 67 O PHE A 5 4.669 15.210 -2.883 1.00 1.01 O ATOM 68 CB PHE A 5 4.510 16.160 0.153 1.00 1.40 C ATOM 69 CG PHE A 5 3.487 16.978 -0.591 1.00 1.63 C ATOM 70 CD1 PHE A 5 3.770 18.281 -0.968 1.00 1.75 C ATOM 71 CD2 PHE A 5 2.250 16.447 -0.917 1.00 2.34 C ATOM 72 CE1 PHE A 5 2.840 19.037 -1.656 1.00 2.39 C ATOM 73 CE2 PHE A 5 1.316 17.198 -1.602 1.00 3.21 C ATOM 74 CZ PHE A 5 1.588 18.482 -1.953 1.00 3.19 C ATOM 0 H PHE A 5 6.117 16.924 -2.250 1.00 1.17 H new ATOM 0 HA PHE A 5 6.287 14.983 -0.094 1.00 1.11 H new ATOM 0 HB2 PHE A 5 4.002 15.336 0.654 1.00 1.40 H new ATOM 0 HB3 PHE A 5 4.955 16.780 0.931 1.00 1.40 H new ATOM 0 HD1 PHE A 5 4.729 18.711 -0.721 1.00 1.75 H new ATOM 0 HD2 PHE A 5 2.013 15.433 -0.632 1.00 2.34 H new ATOM 0 HE1 PHE A 5 3.076 20.046 -1.962 1.00 2.39 H new ATOM 0 HE2 PHE A 5 0.362 16.762 -1.861 1.00 3.21 H new ATOM 0 HZ PHE A 5 0.840 19.074 -2.460 1.00 3.19 H new ATOM 84 N VAL A 6 4.979 13.416 -1.574 1.00 0.85 N ATOM 85 CA VAL A 6 4.334 12.511 -2.503 1.00 0.79 C ATOM 86 C VAL A 6 2.974 12.113 -1.968 1.00 0.69 C ATOM 87 O VAL A 6 2.871 11.371 -0.987 1.00 0.77 O ATOM 88 CB VAL A 6 5.163 11.247 -2.747 1.00 0.92 C ATOM 89 CG1 VAL A 6 4.583 10.441 -3.898 1.00 1.44 C ATOM 90 CG2 VAL A 6 6.615 11.597 -2.997 1.00 1.41 C ATOM 0 H VAL A 6 5.365 12.969 -0.743 1.00 0.85 H new ATOM 0 HA VAL A 6 4.233 13.038 -3.452 1.00 0.79 H new ATOM 0 HB VAL A 6 5.121 10.628 -1.851 1.00 0.92 H new ATOM 0 HG11 VAL A 6 5.186 9.547 -4.056 1.00 1.44 H new ATOM 0 HG12 VAL A 6 3.560 10.151 -3.660 1.00 1.44 H new ATOM 0 HG13 VAL A 6 4.587 11.046 -4.805 1.00 1.44 H new ATOM 0 HG21 VAL A 6 7.185 10.684 -3.168 1.00 1.41 H new ATOM 0 HG22 VAL A 6 6.688 12.240 -3.874 1.00 1.41 H new ATOM 0 HG23 VAL A 6 7.018 12.119 -2.129 1.00 1.41 H new ATOM 100 N ARG A 7 1.939 12.621 -2.599 1.00 0.64 N ATOM 101 CA ARG A 7 0.593 12.391 -2.141 1.00 0.56 C ATOM 102 C ARG A 7 -0.167 11.465 -3.083 1.00 0.54 C ATOM 103 O ARG A 7 -0.121 11.627 -4.300 1.00 0.64 O ATOM 104 CB ARG A 7 -0.123 13.733 -1.992 1.00 0.57 C ATOM 105 CG ARG A 7 -1.488 13.636 -1.331 1.00 0.57 C ATOM 106 CD ARG A 7 -1.991 15.007 -0.911 1.00 0.71 C ATOM 107 NE ARG A 7 -1.178 15.583 0.164 1.00 1.61 N ATOM 108 CZ ARG A 7 -1.590 16.568 0.965 1.00 2.25 C ATOM 109 NH1 ARG A 7 -2.794 17.097 0.812 1.00 2.26 N ATOM 110 NH2 ARG A 7 -0.799 17.029 1.921 1.00 3.37 N ATOM 0 H ARG A 7 2.008 13.200 -3.436 1.00 0.64 H new ATOM 0 HA ARG A 7 0.631 11.894 -1.172 1.00 0.56 H new ATOM 0 HB2 ARG A 7 0.505 14.405 -1.408 1.00 0.57 H new ATOM 0 HB3 ARG A 7 -0.239 14.182 -2.978 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -2.198 13.180 -2.021 1.00 0.57 H new ATOM 0 HG3 ARG A 7 -1.428 12.984 -0.459 1.00 0.57 H new ATOM 0 HD2 ARG A 7 -1.982 15.676 -1.771 1.00 0.71 H new ATOM 0 HD3 ARG A 7 -3.027 14.928 -0.580 1.00 0.71 H new ATOM 0 HE ARG A 7 -0.240 15.208 0.309 1.00 1.61 H new ATOM 0 HH11 ARG A 7 -3.413 16.752 0.078 1.00 2.26 H new ATOM 0 HH12 ARG A 7 -3.102 17.849 1.428 1.00 2.26 H new ATOM 0 HH21 ARG A 7 0.132 16.631 2.049 1.00 3.37 H new ATOM 0 HH22 ARG A 7 -1.120 17.782 2.530 1.00 3.37 H new ATOM 124 N HIS A 8 -0.840 10.474 -2.505 1.00 0.47 N ATOM 125 CA HIS A 8 -1.719 9.600 -3.268 1.00 0.46 C ATOM 126 C HIS A 8 -3.154 9.904 -2.902 1.00 0.39 C ATOM 127 O HIS A 8 -3.483 10.032 -1.727 1.00 0.39 O ATOM 128 CB HIS A 8 -1.375 8.110 -3.019 1.00 0.56 C ATOM 129 CG HIS A 8 -2.532 7.202 -2.648 1.00 0.45 C ATOM 130 ND1 HIS A 8 -2.542 6.424 -1.509 1.00 0.46 N ATOM 131 CD2 HIS A 8 -3.698 6.930 -3.286 1.00 0.79 C ATOM 132 CE1 HIS A 8 -3.662 5.722 -1.462 1.00 0.41 C ATOM 133 NE2 HIS A 8 -4.379 6.010 -2.528 1.00 0.76 N ATOM 0 H HIS A 8 -0.792 10.258 -1.509 1.00 0.47 H new ATOM 0 HA HIS A 8 -1.577 9.784 -4.333 1.00 0.46 H new ATOM 0 HB2 HIS A 8 -0.905 7.713 -3.919 1.00 0.56 H new ATOM 0 HB3 HIS A 8 -0.633 8.060 -2.223 1.00 0.56 H new ATOM 0 HD2 HIS A 8 -4.030 7.359 -4.220 1.00 0.79 H new ATOM 0 HE1 HIS A 8 -3.941 5.030 -0.681 1.00 0.41 H new ATOM 0 HE2 HIS A 8 -5.292 5.614 -2.754 1.00 0.76 H new ATOM 142 N SER A 9 -4.006 9.990 -3.898 1.00 0.42 N ATOM 143 CA SER A 9 -5.401 10.250 -3.656 1.00 0.40 C ATOM 144 C SER A 9 -6.288 9.444 -4.591 1.00 0.41 C ATOM 145 O SER A 9 -6.286 9.649 -5.804 1.00 0.53 O ATOM 146 CB SER A 9 -5.683 11.755 -3.769 1.00 0.52 C ATOM 147 OG SER A 9 -5.026 12.323 -4.894 1.00 1.28 O ATOM 0 H SER A 9 -3.755 9.883 -4.881 1.00 0.42 H new ATOM 0 HA SER A 9 -5.640 9.931 -2.641 1.00 0.40 H new ATOM 0 HB2 SER A 9 -6.757 11.920 -3.852 1.00 0.52 H new ATOM 0 HB3 SER A 9 -5.352 12.258 -2.860 1.00 0.52 H new ATOM 0 HG SER A 9 -5.160 11.748 -5.676 1.00 1.28 H new ATOM 153 N VAL A 10 -7.029 8.498 -4.020 1.00 0.35 N ATOM 154 CA VAL A 10 -7.965 7.703 -4.820 1.00 0.36 C ATOM 155 C VAL A 10 -9.381 7.811 -4.282 1.00 0.32 C ATOM 156 O VAL A 10 -9.592 8.063 -3.093 1.00 0.32 O ATOM 157 CB VAL A 10 -7.579 6.202 -4.936 1.00 0.45 C ATOM 158 CG1 VAL A 10 -6.166 6.050 -5.459 1.00 1.27 C ATOM 159 CG2 VAL A 10 -7.739 5.454 -3.634 1.00 1.18 C ATOM 0 H VAL A 10 -7.004 8.264 -3.028 1.00 0.35 H new ATOM 0 HA VAL A 10 -7.910 8.130 -5.821 1.00 0.36 H new ATOM 0 HB VAL A 10 -8.275 5.757 -5.647 1.00 0.45 H new ATOM 0 HG11 VAL A 10 -5.917 4.991 -5.532 1.00 1.27 H new ATOM 0 HG12 VAL A 10 -6.092 6.509 -6.445 1.00 1.27 H new ATOM 0 HG13 VAL A 10 -5.471 6.540 -4.777 1.00 1.27 H new ATOM 0 HG21 VAL A 10 -7.455 4.411 -3.776 1.00 1.18 H new ATOM 0 HG22 VAL A 10 -7.099 5.904 -2.875 1.00 1.18 H new ATOM 0 HG23 VAL A 10 -8.778 5.506 -3.310 1.00 1.18 H new ATOM 169 N THR A 11 -10.342 7.642 -5.172 1.00 0.35 N ATOM 170 CA THR A 11 -11.739 7.669 -4.801 1.00 0.34 C ATOM 171 C THR A 11 -12.290 6.251 -4.728 1.00 0.33 C ATOM 172 O THR A 11 -12.351 5.532 -5.725 1.00 0.43 O ATOM 173 CB THR A 11 -12.564 8.493 -5.803 1.00 0.46 C ATOM 174 OG1 THR A 11 -11.965 9.782 -5.975 1.00 0.57 O ATOM 175 CG2 THR A 11 -14.000 8.659 -5.326 1.00 0.51 C ATOM 0 H THR A 11 -10.174 7.483 -6.166 1.00 0.35 H new ATOM 0 HA THR A 11 -11.816 8.140 -3.821 1.00 0.34 H new ATOM 0 HB THR A 11 -12.577 7.960 -6.754 1.00 0.46 H new ATOM 0 HG1 THR A 11 -12.492 10.305 -6.615 1.00 0.57 H new ATOM 0 HG21 THR A 11 -14.560 9.246 -6.054 1.00 0.51 H new ATOM 0 HG22 THR A 11 -14.463 7.678 -5.217 1.00 0.51 H new ATOM 0 HG23 THR A 11 -14.007 9.172 -4.364 1.00 0.51 H new ATOM 183 N VAL A 12 -12.686 5.870 -3.536 1.00 0.29 N ATOM 184 CA VAL A 12 -13.227 4.558 -3.269 1.00 0.35 C ATOM 185 C VAL A 12 -14.742 4.579 -3.422 1.00 0.32 C ATOM 186 O VAL A 12 -15.415 5.463 -2.896 1.00 0.36 O ATOM 187 CB VAL A 12 -12.814 4.127 -1.850 1.00 0.43 C ATOM 188 CG1 VAL A 12 -13.609 2.929 -1.356 1.00 0.91 C ATOM 189 CG2 VAL A 12 -11.325 3.826 -1.842 1.00 0.81 C ATOM 0 H VAL A 12 -12.641 6.471 -2.713 1.00 0.29 H new ATOM 0 HA VAL A 12 -12.832 3.836 -3.984 1.00 0.35 H new ATOM 0 HB VAL A 12 -13.033 4.946 -1.164 1.00 0.43 H new ATOM 0 HG11 VAL A 12 -13.281 2.664 -0.351 1.00 0.91 H new ATOM 0 HG12 VAL A 12 -14.670 3.179 -1.337 1.00 0.91 H new ATOM 0 HG13 VAL A 12 -13.447 2.084 -2.025 1.00 0.91 H new ATOM 0 HG21 VAL A 12 -11.021 3.519 -0.841 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -11.112 3.023 -2.548 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -10.772 4.719 -2.132 1.00 0.81 H new ATOM 199 N LYS A 13 -15.265 3.604 -4.149 1.00 0.34 N ATOM 200 CA LYS A 13 -16.672 3.597 -4.531 1.00 0.38 C ATOM 201 C LYS A 13 -17.501 2.654 -3.659 1.00 0.31 C ATOM 202 O LYS A 13 -18.581 2.226 -4.063 1.00 0.37 O ATOM 203 CB LYS A 13 -16.825 3.212 -6.017 1.00 0.58 C ATOM 204 CG LYS A 13 -16.110 1.919 -6.429 1.00 0.68 C ATOM 205 CD LYS A 13 -14.623 2.141 -6.690 1.00 0.97 C ATOM 206 CE LYS A 13 -14.384 3.175 -7.784 1.00 0.88 C ATOM 207 NZ LYS A 13 -14.861 2.718 -9.117 1.00 0.98 N ATOM 0 H LYS A 13 -14.734 2.802 -4.489 1.00 0.34 H new ATOM 0 HA LYS A 13 -17.051 4.607 -4.378 1.00 0.38 H new ATOM 0 HB2 LYS A 13 -17.886 3.110 -6.243 1.00 0.58 H new ATOM 0 HB3 LYS A 13 -16.446 4.030 -6.630 1.00 0.58 H new ATOM 0 HG2 LYS A 13 -16.232 1.172 -5.644 1.00 0.68 H new ATOM 0 HG3 LYS A 13 -16.579 1.517 -7.327 1.00 0.68 H new ATOM 0 HD2 LYS A 13 -14.138 2.468 -5.770 1.00 0.97 H new ATOM 0 HD3 LYS A 13 -14.160 1.197 -6.976 1.00 0.97 H new ATOM 0 HE2 LYS A 13 -14.891 4.103 -7.519 1.00 0.88 H new ATOM 0 HE3 LYS A 13 -13.319 3.399 -7.841 1.00 0.88 H new ATOM 0 HZ1 LYS A 13 -15.310 3.512 -9.616 1.00 0.98 H new ATOM 0 HZ2 LYS A 13 -14.054 2.371 -9.674 1.00 0.98 H new ATOM 0 HZ3 LYS A 13 -15.553 1.951 -8.994 1.00 0.98 H new ATOM 221 N ALA A 14 -17.026 2.358 -2.454 1.00 0.29 N ATOM 222 CA ALA A 14 -17.743 1.434 -1.580 1.00 0.30 C ATOM 223 C ALA A 14 -17.423 1.667 -0.106 1.00 0.28 C ATOM 224 O ALA A 14 -17.325 0.711 0.665 1.00 0.31 O ATOM 225 CB ALA A 14 -17.429 -0.001 -1.970 1.00 0.36 C ATOM 0 H ALA A 14 -16.163 2.736 -2.064 1.00 0.29 H new ATOM 0 HA ALA A 14 -18.809 1.620 -1.710 1.00 0.30 H new ATOM 0 HB1 ALA A 14 -17.968 -0.683 -1.313 1.00 0.36 H new ATOM 0 HB2 ALA A 14 -17.736 -0.173 -3.002 1.00 0.36 H new ATOM 0 HB3 ALA A 14 -16.358 -0.178 -1.876 1.00 0.36 H new ATOM 231 N ASP A 15 -17.271 2.935 0.276 1.00 0.28 N ATOM 232 CA ASP A 15 -17.086 3.315 1.684 1.00 0.31 C ATOM 233 C ASP A 15 -15.672 3.004 2.197 1.00 0.28 C ATOM 234 O ASP A 15 -14.930 2.189 1.628 1.00 0.29 O ATOM 235 CB ASP A 15 -18.159 2.655 2.572 1.00 0.39 C ATOM 236 CG ASP A 15 -17.968 2.932 4.052 1.00 0.61 C ATOM 237 OD1 ASP A 15 -17.415 2.061 4.755 1.00 0.91 O ATOM 238 OD2 ASP A 15 -18.360 4.019 4.518 1.00 0.76 O ATOM 0 H ASP A 15 -17.272 3.723 -0.371 1.00 0.28 H new ATOM 0 HA ASP A 15 -17.206 4.397 1.742 1.00 0.31 H new ATOM 0 HB2 ASP A 15 -19.143 3.012 2.267 1.00 0.39 H new ATOM 0 HB3 ASP A 15 -18.145 1.578 2.406 1.00 0.39 H new ATOM 243 N ARG A 16 -15.313 3.686 3.278 1.00 0.28 N ATOM 244 CA ARG A 16 -13.985 3.609 3.867 1.00 0.27 C ATOM 245 C ARG A 16 -13.674 2.203 4.370 1.00 0.28 C ATOM 246 O ARG A 16 -12.505 1.814 4.454 1.00 0.28 O ATOM 247 CB ARG A 16 -13.884 4.624 5.008 1.00 0.29 C ATOM 248 CG ARG A 16 -12.473 4.876 5.489 1.00 0.28 C ATOM 249 CD ARG A 16 -12.370 6.211 6.205 1.00 0.40 C ATOM 250 NE ARG A 16 -13.220 6.289 7.390 1.00 0.93 N ATOM 251 CZ ARG A 16 -13.161 7.287 8.271 1.00 1.32 C ATOM 252 NH1 ARG A 16 -12.321 8.294 8.078 1.00 1.37 N ATOM 253 NH2 ARG A 16 -13.938 7.276 9.344 1.00 1.88 N ATOM 0 H ARG A 16 -15.944 4.315 3.775 1.00 0.28 H new ATOM 0 HA ARG A 16 -13.248 3.845 3.099 1.00 0.27 H new ATOM 0 HB2 ARG A 16 -14.318 5.568 4.679 1.00 0.29 H new ATOM 0 HB3 ARG A 16 -14.485 4.272 5.847 1.00 0.29 H new ATOM 0 HG2 ARG A 16 -12.166 4.075 6.161 1.00 0.28 H new ATOM 0 HG3 ARG A 16 -11.788 4.861 4.641 1.00 0.28 H new ATOM 0 HD2 ARG A 16 -11.334 6.382 6.496 1.00 0.40 H new ATOM 0 HD3 ARG A 16 -12.643 7.009 5.515 1.00 0.40 H new ATOM 0 HE ARG A 16 -13.894 5.541 7.552 1.00 0.93 H new ATOM 0 HH11 ARG A 16 -11.719 8.305 7.255 1.00 1.37 H new ATOM 0 HH12 ARG A 16 -12.277 9.058 8.753 1.00 1.37 H new ATOM 0 HH21 ARG A 16 -14.584 6.502 9.498 1.00 1.88 H new ATOM 0 HH22 ARG A 16 -13.890 8.042 10.016 1.00 1.88 H new ATOM 267 N LYS A 17 -14.718 1.442 4.697 1.00 0.33 N ATOM 268 CA LYS A 17 -14.547 0.062 5.130 1.00 0.39 C ATOM 269 C LYS A 17 -13.824 -0.740 4.060 1.00 0.35 C ATOM 270 O LYS A 17 -12.854 -1.432 4.351 1.00 0.37 O ATOM 271 CB LYS A 17 -15.893 -0.602 5.433 1.00 0.53 C ATOM 272 CG LYS A 17 -15.763 -2.059 5.861 1.00 1.34 C ATOM 273 CD LYS A 17 -17.115 -2.746 5.982 1.00 1.70 C ATOM 274 CE LYS A 17 -17.853 -2.784 4.650 1.00 2.46 C ATOM 275 NZ LYS A 17 -19.096 -3.596 4.728 1.00 3.05 N ATOM 0 H LYS A 17 -15.687 1.760 4.669 1.00 0.33 H new ATOM 0 HA LYS A 17 -13.954 0.078 6.044 1.00 0.39 H new ATOM 0 HB2 LYS A 17 -16.397 -0.043 6.221 1.00 0.53 H new ATOM 0 HB3 LYS A 17 -16.526 -0.546 4.547 1.00 0.53 H new ATOM 0 HG2 LYS A 17 -15.149 -2.595 5.137 1.00 1.34 H new ATOM 0 HG3 LYS A 17 -15.245 -2.110 6.819 1.00 1.34 H new ATOM 0 HD2 LYS A 17 -16.974 -3.763 6.348 1.00 1.70 H new ATOM 0 HD3 LYS A 17 -17.724 -2.223 6.720 1.00 1.70 H new ATOM 0 HE2 LYS A 17 -18.102 -1.768 4.344 1.00 2.46 H new ATOM 0 HE3 LYS A 17 -17.197 -3.197 3.883 1.00 2.46 H new ATOM 0 HZ1 LYS A 17 -19.569 -3.597 3.802 1.00 3.05 H new ATOM 0 HZ2 LYS A 17 -18.857 -4.572 4.996 1.00 3.05 H new ATOM 0 HZ3 LYS A 17 -19.733 -3.188 5.441 1.00 3.05 H new ATOM 289 N THR A 18 -14.282 -0.625 2.817 1.00 0.35 N ATOM 290 CA THR A 18 -13.709 -1.405 1.735 1.00 0.36 C ATOM 291 C THR A 18 -12.342 -0.870 1.335 1.00 0.33 C ATOM 292 O THR A 18 -11.450 -1.649 0.999 1.00 0.37 O ATOM 293 CB THR A 18 -14.623 -1.448 0.499 1.00 0.41 C ATOM 294 OG1 THR A 18 -14.901 -0.119 0.056 1.00 1.11 O ATOM 295 CG2 THR A 18 -15.924 -2.173 0.814 1.00 0.80 C ATOM 0 H THR A 18 -15.042 -0.004 2.539 1.00 0.35 H new ATOM 0 HA THR A 18 -13.602 -2.421 2.114 1.00 0.36 H new ATOM 0 HB THR A 18 -14.109 -1.993 -0.293 1.00 0.41 H new ATOM 0 HG1 THR A 18 -15.602 0.273 0.618 1.00 1.11 H new ATOM 0 HG21 THR A 18 -16.555 -2.191 -0.075 1.00 0.80 H new ATOM 0 HG22 THR A 18 -15.705 -3.195 1.125 1.00 0.80 H new ATOM 0 HG23 THR A 18 -16.445 -1.653 1.618 1.00 0.80 H new ATOM 303 N ALA A 19 -12.169 0.452 1.371 1.00 0.29 N ATOM 304 CA ALA A 19 -10.865 1.036 1.065 1.00 0.29 C ATOM 305 C ALA A 19 -9.803 0.509 2.025 1.00 0.28 C ATOM 306 O ALA A 19 -8.721 0.109 1.607 1.00 0.32 O ATOM 307 CB ALA A 19 -10.911 2.558 1.092 1.00 0.31 C ATOM 0 H ALA A 19 -12.899 1.125 1.604 1.00 0.29 H new ATOM 0 HA ALA A 19 -10.597 0.735 0.052 1.00 0.29 H new ATOM 0 HB1 ALA A 19 -9.923 2.956 0.860 1.00 0.31 H new ATOM 0 HB2 ALA A 19 -11.629 2.913 0.353 1.00 0.31 H new ATOM 0 HB3 ALA A 19 -11.214 2.895 2.083 1.00 0.31 H new ATOM 313 N PHE A 20 -10.132 0.482 3.311 1.00 0.25 N ATOM 314 CA PHE A 20 -9.224 -0.051 4.317 1.00 0.26 C ATOM 315 C PHE A 20 -9.125 -1.568 4.201 1.00 0.31 C ATOM 316 O PHE A 20 -8.030 -2.132 4.257 1.00 0.33 O ATOM 317 CB PHE A 20 -9.697 0.343 5.718 1.00 0.28 C ATOM 318 CG PHE A 20 -8.941 -0.326 6.833 1.00 0.30 C ATOM 319 CD1 PHE A 20 -7.696 0.137 7.226 1.00 0.33 C ATOM 320 CD2 PHE A 20 -9.481 -1.422 7.489 1.00 0.34 C ATOM 321 CE1 PHE A 20 -7.004 -0.480 8.253 1.00 0.37 C ATOM 322 CE2 PHE A 20 -8.794 -2.041 8.514 1.00 0.38 C ATOM 323 CZ PHE A 20 -7.554 -1.569 8.896 1.00 0.38 C ATOM 0 H PHE A 20 -11.020 0.823 3.681 1.00 0.25 H new ATOM 0 HA PHE A 20 -8.234 0.373 4.147 1.00 0.26 H new ATOM 0 HB2 PHE A 20 -9.607 1.424 5.830 1.00 0.28 H new ATOM 0 HB3 PHE A 20 -10.755 0.100 5.814 1.00 0.28 H new ATOM 0 HD1 PHE A 20 -7.261 0.989 6.725 1.00 0.33 H new ATOM 0 HD2 PHE A 20 -10.451 -1.796 7.194 1.00 0.34 H new ATOM 0 HE1 PHE A 20 -6.034 -0.109 8.551 1.00 0.37 H new ATOM 0 HE2 PHE A 20 -9.226 -2.894 9.017 1.00 0.38 H new ATOM 0 HZ PHE A 20 -7.015 -2.052 9.698 1.00 0.38 H new ATOM 333 N LYS A 21 -10.273 -2.220 4.032 1.00 0.35 N ATOM 334 CA LYS A 21 -10.329 -3.675 3.943 1.00 0.42 C ATOM 335 C LYS A 21 -9.413 -4.180 2.854 1.00 0.44 C ATOM 336 O LYS A 21 -8.549 -5.021 3.090 1.00 0.49 O ATOM 337 CB LYS A 21 -11.742 -4.142 3.612 1.00 0.49 C ATOM 338 CG LYS A 21 -11.891 -5.651 3.644 1.00 0.64 C ATOM 339 CD LYS A 21 -11.790 -6.160 5.071 1.00 1.24 C ATOM 340 CE LYS A 21 -12.125 -7.635 5.181 1.00 1.79 C ATOM 341 NZ LYS A 21 -12.246 -8.054 6.601 1.00 2.39 N ATOM 0 H LYS A 21 -11.180 -1.760 3.954 1.00 0.35 H new ATOM 0 HA LYS A 21 -10.018 -4.068 4.911 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -12.441 -3.698 4.321 1.00 0.49 H new ATOM 0 HB3 LYS A 21 -12.017 -3.776 2.623 1.00 0.49 H new ATOM 0 HG2 LYS A 21 -12.851 -5.938 3.216 1.00 0.64 H new ATOM 0 HG3 LYS A 21 -11.118 -6.113 3.030 1.00 0.64 H new ATOM 0 HD2 LYS A 21 -10.780 -5.990 5.444 1.00 1.24 H new ATOM 0 HD3 LYS A 21 -12.465 -5.588 5.707 1.00 1.24 H new ATOM 0 HE2 LYS A 21 -13.060 -7.838 4.658 1.00 1.79 H new ATOM 0 HE3 LYS A 21 -11.350 -8.224 4.690 1.00 1.79 H new ATOM 0 HZ1 LYS A 21 -12.069 -9.076 6.678 1.00 2.39 H new ATOM 0 HZ2 LYS A 21 -11.550 -7.538 7.176 1.00 2.39 H new ATOM 0 HZ3 LYS A 21 -13.204 -7.842 6.945 1.00 2.39 H new ATOM 355 N THR A 22 -9.609 -3.646 1.669 1.00 0.43 N ATOM 356 CA THR A 22 -8.850 -4.058 0.513 1.00 0.48 C ATOM 357 C THR A 22 -7.375 -3.726 0.705 1.00 0.49 C ATOM 358 O THR A 22 -6.521 -4.592 0.548 1.00 0.68 O ATOM 359 CB THR A 22 -9.397 -3.376 -0.760 1.00 0.48 C ATOM 360 OG1 THR A 22 -10.823 -3.509 -0.796 1.00 0.48 O ATOM 361 CG2 THR A 22 -8.814 -3.991 -2.021 1.00 0.58 C ATOM 0 H THR A 22 -10.297 -2.917 1.481 1.00 0.43 H new ATOM 0 HA THR A 22 -8.950 -5.137 0.396 1.00 0.48 H new ATOM 0 HB THR A 22 -9.109 -2.325 -0.726 1.00 0.48 H new ATOM 0 HG1 THR A 22 -11.232 -2.783 -0.281 1.00 0.48 H new ATOM 0 HG21 THR A 22 -9.223 -3.485 -2.895 1.00 0.58 H new ATOM 0 HG22 THR A 22 -7.730 -3.881 -2.012 1.00 0.58 H new ATOM 0 HG23 THR A 22 -9.071 -5.050 -2.062 1.00 0.58 H new ATOM 369 N PHE A 23 -7.104 -2.487 1.119 1.00 0.37 N ATOM 370 CA PHE A 23 -5.738 -1.976 1.223 1.00 0.38 C ATOM 371 C PHE A 23 -4.885 -2.799 2.187 1.00 0.38 C ATOM 372 O PHE A 23 -3.701 -3.023 1.932 1.00 0.43 O ATOM 373 CB PHE A 23 -5.757 -0.505 1.665 1.00 0.37 C ATOM 374 CG PHE A 23 -4.413 0.174 1.620 1.00 0.39 C ATOM 375 CD1 PHE A 23 -3.923 0.704 0.433 1.00 0.44 C ATOM 376 CD2 PHE A 23 -3.646 0.293 2.769 1.00 0.40 C ATOM 377 CE1 PHE A 23 -2.693 1.337 0.398 1.00 0.48 C ATOM 378 CE2 PHE A 23 -2.417 0.923 2.737 1.00 0.45 C ATOM 379 CZ PHE A 23 -1.941 1.445 1.550 1.00 0.48 C ATOM 0 H PHE A 23 -7.821 -1.814 1.390 1.00 0.37 H new ATOM 0 HA PHE A 23 -5.285 -2.057 0.235 1.00 0.38 H new ATOM 0 HB2 PHE A 23 -6.450 0.045 1.028 1.00 0.37 H new ATOM 0 HB3 PHE A 23 -6.146 -0.448 2.682 1.00 0.37 H new ATOM 0 HD1 PHE A 23 -4.508 0.621 -0.471 1.00 0.44 H new ATOM 0 HD2 PHE A 23 -4.014 -0.112 3.700 1.00 0.40 H new ATOM 0 HE1 PHE A 23 -2.322 1.746 -0.530 1.00 0.48 H new ATOM 0 HE2 PHE A 23 -1.829 1.007 3.639 1.00 0.45 H new ATOM 0 HZ PHE A 23 -0.980 1.938 1.524 1.00 0.48 H new ATOM 389 N LEU A 24 -5.472 -3.256 3.285 1.00 0.35 N ATOM 390 CA LEU A 24 -4.682 -3.924 4.310 1.00 0.37 C ATOM 391 C LEU A 24 -5.017 -5.412 4.442 1.00 0.39 C ATOM 392 O LEU A 24 -4.124 -6.255 4.420 1.00 0.48 O ATOM 393 CB LEU A 24 -4.858 -3.221 5.657 1.00 0.40 C ATOM 394 CG LEU A 24 -3.656 -3.341 6.593 1.00 0.42 C ATOM 395 CD1 LEU A 24 -2.426 -2.742 5.930 1.00 0.50 C ATOM 396 CD2 LEU A 24 -3.933 -2.652 7.920 1.00 0.44 C ATOM 0 H LEU A 24 -6.469 -3.180 3.487 1.00 0.35 H new ATOM 0 HA LEU A 24 -3.640 -3.860 3.997 1.00 0.37 H new ATOM 0 HB2 LEU A 24 -5.060 -2.165 5.478 1.00 0.40 H new ATOM 0 HB3 LEU A 24 -5.735 -3.633 6.156 1.00 0.40 H new ATOM 0 HG LEU A 24 -3.474 -4.397 6.794 1.00 0.42 H new ATOM 0 HD11 LEU A 24 -1.572 -2.830 6.601 1.00 0.50 H new ATOM 0 HD12 LEU A 24 -2.216 -3.276 5.003 1.00 0.50 H new ATOM 0 HD13 LEU A 24 -2.607 -1.690 5.710 1.00 0.50 H new ATOM 0 HD21 LEU A 24 -3.063 -2.751 8.570 1.00 0.44 H new ATOM 0 HD22 LEU A 24 -4.138 -1.596 7.746 1.00 0.44 H new ATOM 0 HD23 LEU A 24 -4.797 -3.115 8.397 1.00 0.44 H new ATOM 408 N GLU A 25 -6.292 -5.748 4.587 1.00 0.40 N ATOM 409 CA GLU A 25 -6.668 -7.136 4.848 1.00 0.46 C ATOM 410 C GLU A 25 -6.722 -7.960 3.573 1.00 0.54 C ATOM 411 O GLU A 25 -6.303 -9.119 3.551 1.00 1.01 O ATOM 412 CB GLU A 25 -8.010 -7.221 5.573 1.00 0.51 C ATOM 413 CG GLU A 25 -7.991 -6.618 6.967 1.00 0.66 C ATOM 414 CD GLU A 25 -8.960 -7.313 7.897 1.00 0.91 C ATOM 415 OE1 GLU A 25 -8.526 -8.174 8.684 1.00 1.24 O ATOM 416 OE2 GLU A 25 -10.163 -6.982 7.854 1.00 1.18 O ATOM 0 H GLU A 25 -7.073 -5.094 4.530 1.00 0.40 H new ATOM 0 HA GLU A 25 -5.892 -7.552 5.490 1.00 0.46 H new ATOM 0 HB2 GLU A 25 -8.768 -6.712 4.977 1.00 0.51 H new ATOM 0 HB3 GLU A 25 -8.309 -8.267 5.643 1.00 0.51 H new ATOM 0 HG2 GLU A 25 -6.983 -6.685 7.377 1.00 0.66 H new ATOM 0 HG3 GLU A 25 -8.242 -5.559 6.908 1.00 0.66 H new ATOM 423 N GLY A 26 -7.212 -7.349 2.514 1.00 0.37 N ATOM 424 CA GLY A 26 -7.393 -8.054 1.260 1.00 0.45 C ATOM 425 C GLY A 26 -6.201 -7.908 0.347 1.00 0.48 C ATOM 426 O GLY A 26 -6.361 -7.769 -0.854 1.00 0.83 O ATOM 0 H GLY A 26 -7.492 -6.368 2.495 1.00 0.37 H new ATOM 0 HA2 GLY A 26 -7.567 -9.111 1.461 1.00 0.45 H new ATOM 0 HA3 GLY A 26 -8.282 -7.675 0.757 1.00 0.45 H new ATOM 430 N PHE A 27 -5.009 -7.973 0.914 1.00 0.42 N ATOM 431 CA PHE A 27 -3.786 -7.681 0.177 1.00 0.44 C ATOM 432 C PHE A 27 -3.577 -8.650 -1.005 1.00 0.47 C ATOM 433 O PHE A 27 -3.505 -8.212 -2.151 1.00 0.53 O ATOM 434 CB PHE A 27 -2.583 -7.700 1.137 1.00 0.48 C ATOM 435 CG PHE A 27 -1.305 -7.197 0.533 1.00 0.49 C ATOM 436 CD1 PHE A 27 -1.148 -5.852 0.239 1.00 0.57 C ATOM 437 CD2 PHE A 27 -0.261 -8.067 0.260 1.00 0.63 C ATOM 438 CE1 PHE A 27 0.026 -5.385 -0.320 1.00 0.65 C ATOM 439 CE2 PHE A 27 0.916 -7.605 -0.296 1.00 0.74 C ATOM 440 CZ PHE A 27 1.060 -6.263 -0.589 1.00 0.71 C ATOM 0 H PHE A 27 -4.859 -8.227 1.890 1.00 0.42 H new ATOM 0 HA PHE A 27 -3.878 -6.684 -0.254 1.00 0.44 H new ATOM 0 HB2 PHE A 27 -2.821 -7.095 2.012 1.00 0.48 H new ATOM 0 HB3 PHE A 27 -2.429 -8.720 1.488 1.00 0.48 H new ATOM 0 HD1 PHE A 27 -1.952 -5.162 0.449 1.00 0.57 H new ATOM 0 HD2 PHE A 27 -0.369 -9.118 0.485 1.00 0.63 H new ATOM 0 HE1 PHE A 27 0.136 -4.335 -0.547 1.00 0.65 H new ATOM 0 HE2 PHE A 27 1.723 -8.293 -0.501 1.00 0.74 H new ATOM 0 HZ PHE A 27 1.978 -5.900 -1.027 1.00 0.71 H new ATOM 450 N PRO A 28 -3.507 -9.976 -0.763 1.00 0.49 N ATOM 451 CA PRO A 28 -3.182 -10.956 -1.812 1.00 0.57 C ATOM 452 C PRO A 28 -4.358 -11.324 -2.719 1.00 0.59 C ATOM 453 O PRO A 28 -4.412 -12.438 -3.245 1.00 0.76 O ATOM 454 CB PRO A 28 -2.760 -12.172 -0.996 1.00 0.73 C ATOM 455 CG PRO A 28 -3.605 -12.100 0.222 1.00 0.74 C ATOM 456 CD PRO A 28 -3.715 -10.636 0.542 1.00 0.52 C ATOM 0 HA PRO A 28 -2.433 -10.564 -2.501 1.00 0.57 H new ATOM 0 HB2 PRO A 28 -2.929 -13.099 -1.545 1.00 0.73 H new ATOM 0 HB3 PRO A 28 -1.699 -12.137 -0.748 1.00 0.73 H new ATOM 0 HG2 PRO A 28 -4.587 -12.539 0.046 1.00 0.74 H new ATOM 0 HG3 PRO A 28 -3.153 -12.650 1.047 1.00 0.74 H new ATOM 0 HD2 PRO A 28 -4.689 -10.390 0.964 1.00 0.52 H new ATOM 0 HD3 PRO A 28 -2.965 -10.328 1.271 1.00 0.52 H new ATOM 464 N GLU A 29 -5.295 -10.405 -2.912 1.00 0.54 N ATOM 465 CA GLU A 29 -6.420 -10.669 -3.802 1.00 0.67 C ATOM 466 C GLU A 29 -6.538 -9.587 -4.868 1.00 0.69 C ATOM 467 O GLU A 29 -7.466 -9.595 -5.679 1.00 0.85 O ATOM 468 CB GLU A 29 -7.726 -10.755 -3.019 1.00 0.85 C ATOM 469 CG GLU A 29 -8.170 -9.422 -2.454 1.00 0.90 C ATOM 470 CD GLU A 29 -9.550 -9.487 -1.841 1.00 1.18 C ATOM 471 OE1 GLU A 29 -9.653 -9.785 -0.631 1.00 1.21 O ATOM 472 OE2 GLU A 29 -10.535 -9.227 -2.557 1.00 1.49 O ATOM 0 H GLU A 29 -5.301 -9.484 -2.473 1.00 0.54 H new ATOM 0 HA GLU A 29 -6.234 -11.627 -4.288 1.00 0.67 H new ATOM 0 HB2 GLU A 29 -8.508 -11.145 -3.670 1.00 0.85 H new ATOM 0 HB3 GLU A 29 -7.607 -11.467 -2.202 1.00 0.85 H new ATOM 0 HG2 GLU A 29 -7.455 -9.094 -1.699 1.00 0.90 H new ATOM 0 HG3 GLU A 29 -8.162 -8.674 -3.247 1.00 0.90 H new ATOM 479 N TRP A 30 -5.617 -8.640 -4.853 1.00 0.64 N ATOM 480 CA TRP A 30 -5.623 -7.583 -5.851 1.00 0.81 C ATOM 481 C TRP A 30 -5.108 -8.120 -7.177 1.00 0.66 C ATOM 482 O TRP A 30 -4.400 -9.118 -7.222 1.00 0.74 O ATOM 483 CB TRP A 30 -4.759 -6.393 -5.428 1.00 1.07 C ATOM 484 CG TRP A 30 -5.101 -5.797 -4.095 1.00 1.18 C ATOM 485 CD1 TRP A 30 -6.096 -6.176 -3.242 1.00 0.50 C ATOM 486 CD2 TRP A 30 -4.430 -4.702 -3.465 1.00 2.35 C ATOM 487 NE1 TRP A 30 -6.066 -5.401 -2.108 1.00 0.80 N ATOM 488 CE2 TRP A 30 -5.054 -4.482 -2.228 1.00 2.05 C ATOM 489 CE3 TRP A 30 -3.355 -3.887 -3.827 1.00 3.66 C ATOM 490 CZ2 TRP A 30 -4.635 -3.487 -1.353 1.00 3.01 C ATOM 491 CZ3 TRP A 30 -2.942 -2.898 -2.956 1.00 4.62 C ATOM 492 CH2 TRP A 30 -3.582 -2.705 -1.732 1.00 4.29 C ATOM 0 H TRP A 30 -4.863 -8.580 -4.169 1.00 0.64 H new ATOM 0 HA TRP A 30 -6.652 -7.240 -5.954 1.00 0.81 H new ATOM 0 HB2 TRP A 30 -3.716 -6.710 -5.409 1.00 1.07 H new ATOM 0 HB3 TRP A 30 -4.842 -5.616 -6.188 1.00 1.07 H new ATOM 0 HD1 TRP A 30 -6.804 -6.969 -3.431 1.00 0.50 H new ATOM 0 HE1 TRP A 30 -6.693 -5.493 -1.309 1.00 0.80 H new ATOM 0 HE3 TRP A 30 -2.854 -4.028 -4.774 1.00 3.66 H new ATOM 0 HZ2 TRP A 30 -5.127 -3.337 -0.403 1.00 3.01 H new ATOM 0 HZ3 TRP A 30 -2.111 -2.264 -3.227 1.00 4.62 H new ATOM 0 HH2 TRP A 30 -3.238 -1.922 -1.072 1.00 4.29 H new ATOM 503 N TRP A 31 -5.470 -7.444 -8.252 1.00 0.55 N ATOM 504 CA TRP A 31 -5.002 -7.802 -9.585 1.00 0.57 C ATOM 505 C TRP A 31 -3.649 -7.140 -9.955 1.00 0.60 C ATOM 506 O TRP A 31 -2.851 -7.763 -10.657 1.00 0.74 O ATOM 507 CB TRP A 31 -6.038 -7.401 -10.642 1.00 0.74 C ATOM 508 CG TRP A 31 -7.464 -7.599 -10.225 1.00 0.62 C ATOM 509 CD1 TRP A 31 -8.424 -6.632 -10.144 1.00 0.69 C ATOM 510 CD2 TRP A 31 -8.092 -8.824 -9.828 1.00 1.24 C ATOM 511 NE1 TRP A 31 -9.611 -7.178 -9.727 1.00 1.10 N ATOM 512 CE2 TRP A 31 -9.433 -8.524 -9.525 1.00 1.54 C ATOM 513 CE3 TRP A 31 -7.652 -10.146 -9.700 1.00 1.77 C ATOM 514 CZ2 TRP A 31 -10.337 -9.496 -9.104 1.00 2.31 C ATOM 515 CZ3 TRP A 31 -8.551 -11.110 -9.282 1.00 2.53 C ATOM 516 CH2 TRP A 31 -9.879 -10.780 -8.988 1.00 2.78 C ATOM 0 H TRP A 31 -6.092 -6.636 -8.230 1.00 0.55 H new ATOM 0 HA TRP A 31 -4.858 -8.882 -9.570 1.00 0.57 H new ATOM 0 HB2 TRP A 31 -5.890 -6.352 -10.897 1.00 0.74 H new ATOM 0 HB3 TRP A 31 -5.855 -7.978 -11.548 1.00 0.74 H new ATOM 0 HD1 TRP A 31 -8.271 -5.588 -10.375 1.00 0.69 H new ATOM 0 HE1 TRP A 31 -10.483 -6.667 -9.589 1.00 1.10 H new ATOM 0 HE3 TRP A 31 -6.629 -10.409 -9.924 1.00 1.77 H new ATOM 0 HZ2 TRP A 31 -11.363 -9.245 -8.877 1.00 2.31 H new ATOM 0 HZ3 TRP A 31 -8.223 -12.134 -9.181 1.00 2.53 H new ATOM 0 HH2 TRP A 31 -10.557 -11.555 -8.663 1.00 2.78 H new ATOM 527 N PRO A 32 -3.363 -5.877 -9.508 1.00 0.71 N ATOM 528 CA PRO A 32 -2.256 -5.066 -10.055 1.00 0.84 C ATOM 529 C PRO A 32 -0.876 -5.738 -10.030 1.00 0.85 C ATOM 530 O PRO A 32 -0.464 -6.346 -11.018 1.00 1.36 O ATOM 531 CB PRO A 32 -2.252 -3.803 -9.183 1.00 1.01 C ATOM 532 CG PRO A 32 -3.063 -4.145 -7.979 1.00 0.92 C ATOM 533 CD PRO A 32 -4.071 -5.138 -8.446 1.00 0.87 C ATOM 0 HA PRO A 32 -2.425 -4.884 -11.116 1.00 0.84 H new ATOM 0 HB2 PRO A 32 -1.236 -3.522 -8.905 1.00 1.01 H new ATOM 0 HB3 PRO A 32 -2.682 -2.956 -9.718 1.00 1.01 H new ATOM 0 HG2 PRO A 32 -2.437 -4.563 -7.190 1.00 0.92 H new ATOM 0 HG3 PRO A 32 -3.547 -3.259 -7.567 1.00 0.92 H new ATOM 0 HD2 PRO A 32 -4.386 -5.799 -7.639 1.00 0.87 H new ATOM 0 HD3 PRO A 32 -4.968 -4.650 -8.827 1.00 0.87 H new ATOM 541 N ASN A 33 -0.158 -5.618 -8.919 1.00 0.53 N ATOM 542 CA ASN A 33 1.201 -6.156 -8.829 1.00 0.57 C ATOM 543 C ASN A 33 1.243 -7.332 -7.875 1.00 0.67 C ATOM 544 O ASN A 33 1.976 -8.297 -8.078 1.00 0.72 O ATOM 545 CB ASN A 33 2.182 -5.096 -8.335 1.00 0.60 C ATOM 546 CG ASN A 33 3.586 -5.381 -8.826 1.00 0.82 C ATOM 547 OD1 ASN A 33 4.017 -4.844 -9.844 1.00 1.51 O ATOM 548 ND2 ASN A 33 4.297 -6.245 -8.125 1.00 0.76 N ATOM 0 H ASN A 33 -0.488 -5.157 -8.071 1.00 0.53 H new ATOM 0 HA ASN A 33 1.490 -6.476 -9.830 1.00 0.57 H new ATOM 0 HB2 ASN A 33 1.865 -4.113 -8.682 1.00 0.60 H new ATOM 0 HB3 ASN A 33 2.173 -5.068 -7.245 1.00 0.60 H new ATOM 0 HD21 ASN A 33 5.241 -6.489 -8.423 1.00 0.76 H new ATOM 0 HD22 ASN A 33 3.902 -6.668 -7.285 1.00 0.76 H new ATOM 555 N ASN A 34 0.431 -7.242 -6.843 1.00 0.85 N ATOM 556 CA ASN A 34 0.455 -8.192 -5.741 1.00 1.03 C ATOM 557 C ASN A 34 -0.511 -9.351 -5.970 1.00 1.40 C ATOM 558 O ASN A 34 -1.076 -9.902 -5.029 1.00 1.74 O ATOM 559 CB ASN A 34 0.142 -7.470 -4.426 1.00 1.07 C ATOM 560 CG ASN A 34 -1.115 -6.624 -4.471 1.00 1.16 C ATOM 561 OD1 ASN A 34 -1.534 -6.133 -5.524 1.00 1.79 O ATOM 562 ND2 ASN A 34 -1.697 -6.414 -3.312 1.00 1.47 N ATOM 0 H ASN A 34 -0.268 -6.507 -6.740 1.00 0.85 H new ATOM 0 HA ASN A 34 1.456 -8.619 -5.683 1.00 1.03 H new ATOM 0 HB2 ASN A 34 0.041 -8.210 -3.632 1.00 1.07 H new ATOM 0 HB3 ASN A 34 0.987 -6.833 -4.163 1.00 1.07 H new ATOM 0 HD21 ASN A 34 -2.528 -5.826 -3.258 1.00 1.47 H new ATOM 0 HD22 ASN A 34 -1.317 -6.839 -2.466 1.00 1.47 H new ATOM 569 N PHE A 35 -0.665 -9.730 -7.230 1.00 1.51 N ATOM 570 CA PHE A 35 -1.453 -10.903 -7.596 1.00 1.98 C ATOM 571 C PHE A 35 -0.518 -12.099 -7.772 1.00 2.03 C ATOM 572 O PHE A 35 -0.946 -13.225 -8.032 1.00 2.51 O ATOM 573 CB PHE A 35 -2.228 -10.624 -8.892 1.00 2.40 C ATOM 574 CG PHE A 35 -3.189 -11.712 -9.292 1.00 2.92 C ATOM 575 CD1 PHE A 35 -2.997 -12.428 -10.463 1.00 3.19 C ATOM 576 CD2 PHE A 35 -4.279 -12.024 -8.493 1.00 3.49 C ATOM 577 CE1 PHE A 35 -3.873 -13.432 -10.832 1.00 3.91 C ATOM 578 CE2 PHE A 35 -5.159 -13.027 -8.857 1.00 4.27 C ATOM 579 CZ PHE A 35 -4.973 -13.714 -10.033 1.00 4.45 C ATOM 0 H PHE A 35 -0.252 -9.240 -8.023 1.00 1.51 H new ATOM 0 HA PHE A 35 -2.172 -11.128 -6.809 1.00 1.98 H new ATOM 0 HB2 PHE A 35 -2.782 -9.692 -8.776 1.00 2.40 H new ATOM 0 HB3 PHE A 35 -1.514 -10.472 -9.702 1.00 2.40 H new ATOM 0 HD1 PHE A 35 -2.152 -12.199 -11.095 1.00 3.19 H new ATOM 0 HD2 PHE A 35 -4.442 -11.477 -7.576 1.00 3.49 H new ATOM 0 HE1 PHE A 35 -3.702 -13.995 -11.738 1.00 3.91 H new ATOM 0 HE2 PHE A 35 -5.994 -13.271 -8.216 1.00 4.27 H new ATOM 0 HZ PHE A 35 -5.681 -14.472 -10.335 1.00 4.45 H new ATOM 589 N ARG A 36 0.772 -11.836 -7.610 1.00 1.65 N ATOM 590 CA ARG A 36 1.796 -12.848 -7.823 1.00 1.75 C ATOM 591 C ARG A 36 2.244 -13.444 -6.499 1.00 1.59 C ATOM 592 O ARG A 36 2.678 -12.726 -5.598 1.00 1.48 O ATOM 593 CB ARG A 36 2.992 -12.236 -8.549 1.00 1.73 C ATOM 594 CG ARG A 36 2.606 -11.465 -9.805 1.00 1.84 C ATOM 595 CD ARG A 36 1.840 -12.330 -10.793 1.00 2.25 C ATOM 596 NE ARG A 36 1.007 -11.527 -11.693 1.00 2.72 N ATOM 597 CZ ARG A 36 0.708 -11.876 -12.945 1.00 3.34 C ATOM 598 NH1 ARG A 36 1.227 -12.977 -13.473 1.00 3.59 N ATOM 599 NH2 ARG A 36 -0.108 -11.118 -13.669 1.00 4.14 N ATOM 0 H ARG A 36 1.135 -10.925 -7.330 1.00 1.65 H new ATOM 0 HA ARG A 36 1.373 -13.644 -8.436 1.00 1.75 H new ATOM 0 HB2 ARG A 36 3.518 -11.567 -7.868 1.00 1.73 H new ATOM 0 HB3 ARG A 36 3.689 -13.029 -8.818 1.00 1.73 H new ATOM 0 HG2 ARG A 36 1.997 -10.604 -9.529 1.00 1.84 H new ATOM 0 HG3 ARG A 36 3.506 -11.078 -10.284 1.00 1.84 H new ATOM 0 HD2 ARG A 36 2.544 -12.920 -11.380 1.00 2.25 H new ATOM 0 HD3 ARG A 36 1.211 -13.034 -10.248 1.00 2.25 H new ATOM 0 HE ARG A 36 0.633 -10.646 -11.340 1.00 2.72 H new ATOM 0 HH11 ARG A 36 1.857 -13.559 -12.921 1.00 3.59 H new ATOM 0 HH12 ARG A 36 0.996 -13.241 -14.431 1.00 3.59 H new ATOM 0 HH21 ARG A 36 -0.506 -10.269 -13.267 1.00 4.14 H new ATOM 0 HH22 ARG A 36 -0.337 -11.385 -14.627 1.00 4.14 H new ATOM 613 N THR A 37 2.182 -14.761 -6.403 1.00 1.75 N ATOM 614 CA THR A 37 2.449 -15.444 -5.154 1.00 1.72 C ATOM 615 C THR A 37 3.943 -15.496 -4.875 1.00 1.37 C ATOM 616 O THR A 37 4.743 -15.733 -5.780 1.00 1.37 O ATOM 617 CB THR A 37 1.867 -16.869 -5.170 1.00 2.19 C ATOM 618 OG1 THR A 37 2.272 -17.551 -6.364 1.00 2.53 O ATOM 619 CG2 THR A 37 0.348 -16.834 -5.091 1.00 2.68 C ATOM 0 H THR A 37 1.948 -15.379 -7.180 1.00 1.75 H new ATOM 0 HA THR A 37 1.964 -14.880 -4.358 1.00 1.72 H new ATOM 0 HB THR A 37 2.248 -17.403 -4.300 1.00 2.19 H new ATOM 0 HG1 THR A 37 1.899 -18.457 -6.366 1.00 2.53 H new ATOM 0 HG21 THR A 37 -0.041 -17.852 -5.104 1.00 2.68 H new ATOM 0 HG22 THR A 37 0.043 -16.341 -4.168 1.00 2.68 H new ATOM 0 HG23 THR A 37 -0.048 -16.284 -5.944 1.00 2.68 H new ATOM 627 N THR A 38 4.293 -15.204 -3.623 1.00 1.24 N ATOM 628 CA THR A 38 5.677 -15.198 -3.128 1.00 1.07 C ATOM 629 C THR A 38 6.556 -14.239 -3.922 1.00 1.09 C ATOM 630 O THR A 38 7.784 -14.332 -3.906 1.00 1.38 O ATOM 631 CB THR A 38 6.325 -16.605 -3.082 1.00 1.16 C ATOM 632 OG1 THR A 38 6.303 -17.249 -4.362 1.00 1.42 O ATOM 633 CG2 THR A 38 5.619 -17.480 -2.062 1.00 1.37 C ATOM 0 H THR A 38 3.610 -14.959 -2.906 1.00 1.24 H new ATOM 0 HA THR A 38 5.611 -14.846 -2.098 1.00 1.07 H new ATOM 0 HB THR A 38 7.367 -16.468 -2.791 1.00 1.16 H new ATOM 0 HG1 THR A 38 6.090 -16.590 -5.056 1.00 1.42 H new ATOM 0 HG21 THR A 38 6.086 -18.465 -2.042 1.00 1.37 H new ATOM 0 HG22 THR A 38 5.695 -17.022 -1.076 1.00 1.37 H new ATOM 0 HG23 THR A 38 4.569 -17.582 -2.335 1.00 1.37 H new ATOM 641 N LYS A 39 5.913 -13.307 -4.594 1.00 0.96 N ATOM 642 CA LYS A 39 6.608 -12.228 -5.271 1.00 1.09 C ATOM 643 C LYS A 39 6.286 -10.936 -4.537 1.00 1.22 C ATOM 644 O LYS A 39 7.172 -10.140 -4.227 1.00 1.97 O ATOM 645 CB LYS A 39 6.168 -12.143 -6.739 1.00 1.15 C ATOM 646 CG LYS A 39 7.249 -11.651 -7.699 1.00 1.49 C ATOM 647 CD LYS A 39 7.705 -10.234 -7.388 1.00 1.66 C ATOM 648 CE LYS A 39 8.727 -9.738 -8.401 1.00 2.28 C ATOM 649 NZ LYS A 39 9.954 -10.583 -8.429 1.00 2.90 N ATOM 0 H LYS A 39 4.898 -13.274 -4.687 1.00 0.96 H new ATOM 0 HA LYS A 39 7.683 -12.406 -5.263 1.00 1.09 H new ATOM 0 HB2 LYS A 39 5.835 -13.129 -7.062 1.00 1.15 H new ATOM 0 HB3 LYS A 39 5.308 -11.477 -6.809 1.00 1.15 H new ATOM 0 HG2 LYS A 39 8.106 -12.323 -7.651 1.00 1.49 H new ATOM 0 HG3 LYS A 39 6.869 -11.691 -8.720 1.00 1.49 H new ATOM 0 HD2 LYS A 39 6.843 -9.567 -7.384 1.00 1.66 H new ATOM 0 HD3 LYS A 39 8.138 -10.202 -6.388 1.00 1.66 H new ATOM 0 HE2 LYS A 39 8.275 -9.725 -9.393 1.00 2.28 H new ATOM 0 HE3 LYS A 39 9.002 -8.711 -8.163 1.00 2.28 H new ATOM 0 HZ1 LYS A 39 10.619 -10.206 -9.134 1.00 2.90 H new ATOM 0 HZ2 LYS A 39 10.402 -10.575 -7.491 1.00 2.90 H new ATOM 0 HZ3 LYS A 39 9.698 -11.559 -8.683 1.00 2.90 H new ATOM 663 N VAL A 40 5.000 -10.762 -4.258 1.00 1.04 N ATOM 664 CA VAL A 40 4.507 -9.635 -3.484 1.00 1.22 C ATOM 665 C VAL A 40 3.003 -9.818 -3.236 1.00 1.42 C ATOM 666 O VAL A 40 2.263 -8.870 -2.992 1.00 1.83 O ATOM 667 CB VAL A 40 4.797 -8.296 -4.202 1.00 1.30 C ATOM 668 CG1 VAL A 40 4.038 -8.208 -5.514 1.00 1.78 C ATOM 669 CG2 VAL A 40 4.492 -7.110 -3.295 1.00 1.40 C ATOM 0 H VAL A 40 4.268 -11.403 -4.565 1.00 1.04 H new ATOM 0 HA VAL A 40 5.026 -9.602 -2.526 1.00 1.22 H new ATOM 0 HB VAL A 40 5.861 -8.261 -4.436 1.00 1.30 H new ATOM 0 HG11 VAL A 40 4.259 -7.257 -5.999 1.00 1.78 H new ATOM 0 HG12 VAL A 40 4.342 -9.027 -6.166 1.00 1.78 H new ATOM 0 HG13 VAL A 40 2.968 -8.276 -5.320 1.00 1.78 H new ATOM 0 HG21 VAL A 40 4.705 -6.182 -3.826 1.00 1.40 H new ATOM 0 HG22 VAL A 40 3.440 -7.131 -3.009 1.00 1.40 H new ATOM 0 HG23 VAL A 40 5.112 -7.167 -2.400 1.00 1.40 H new ATOM 679 N GLY A 41 2.572 -11.073 -3.244 1.00 1.42 N ATOM 680 CA GLY A 41 1.158 -11.367 -3.175 1.00 1.82 C ATOM 681 C GLY A 41 0.872 -12.816 -2.833 1.00 1.67 C ATOM 682 O GLY A 41 -0.074 -13.407 -3.356 1.00 2.17 O ATOM 0 H GLY A 41 3.179 -11.891 -3.297 1.00 1.42 H new ATOM 0 HA2 GLY A 41 0.695 -10.724 -2.427 1.00 1.82 H new ATOM 0 HA3 GLY A 41 0.695 -11.127 -4.132 1.00 1.82 H new ATOM 686 N ALA A 42 1.699 -13.400 -1.972 1.00 1.12 N ATOM 687 CA ALA A 42 1.427 -14.732 -1.442 1.00 1.00 C ATOM 688 C ALA A 42 0.177 -14.688 -0.569 1.00 1.01 C ATOM 689 O ALA A 42 -0.248 -13.604 -0.180 1.00 1.09 O ATOM 690 CB ALA A 42 2.615 -15.240 -0.638 1.00 0.80 C ATOM 0 H ALA A 42 2.560 -12.974 -1.627 1.00 1.12 H new ATOM 0 HA ALA A 42 1.261 -15.417 -2.273 1.00 1.00 H new ATOM 0 HB1 ALA A 42 2.394 -16.235 -0.251 1.00 0.80 H new ATOM 0 HB2 ALA A 42 3.495 -15.288 -1.280 1.00 0.80 H new ATOM 0 HB3 ALA A 42 2.809 -14.562 0.193 1.00 0.80 H new ATOM 696 N PRO A 43 -0.425 -15.854 -0.245 1.00 1.05 N ATOM 697 CA PRO A 43 -1.673 -15.933 0.548 1.00 1.15 C ATOM 698 C PRO A 43 -1.537 -15.415 1.994 1.00 1.08 C ATOM 699 O PRO A 43 -1.830 -16.128 2.954 1.00 1.40 O ATOM 700 CB PRO A 43 -2.000 -17.434 0.555 1.00 1.29 C ATOM 701 CG PRO A 43 -1.222 -18.008 -0.577 1.00 1.48 C ATOM 702 CD PRO A 43 0.032 -17.194 -0.656 1.00 1.11 C ATOM 0 HA PRO A 43 -2.446 -15.301 0.110 1.00 1.15 H new ATOM 0 HB2 PRO A 43 -1.716 -17.894 1.501 1.00 1.29 H new ATOM 0 HB3 PRO A 43 -3.069 -17.605 0.425 1.00 1.29 H new ATOM 0 HG2 PRO A 43 -0.996 -19.060 -0.404 1.00 1.48 H new ATOM 0 HG3 PRO A 43 -1.785 -17.952 -1.508 1.00 1.48 H new ATOM 0 HD2 PRO A 43 0.807 -17.579 0.007 1.00 1.11 H new ATOM 0 HD3 PRO A 43 0.448 -17.189 -1.663 1.00 1.11 H new ATOM 710 N LEU A 44 -1.112 -14.168 2.129 1.00 0.87 N ATOM 711 CA LEU A 44 -1.051 -13.483 3.409 1.00 0.85 C ATOM 712 C LEU A 44 -0.953 -11.978 3.177 1.00 0.81 C ATOM 713 O LEU A 44 -1.955 -11.265 3.225 1.00 1.24 O ATOM 714 CB LEU A 44 0.134 -13.966 4.251 1.00 0.95 C ATOM 715 CG LEU A 44 0.384 -13.147 5.516 1.00 1.26 C ATOM 716 CD1 LEU A 44 -0.807 -13.229 6.461 1.00 1.75 C ATOM 717 CD2 LEU A 44 1.649 -13.615 6.212 1.00 1.66 C ATOM 0 H LEU A 44 -0.797 -13.598 1.344 1.00 0.87 H new ATOM 0 HA LEU A 44 -1.962 -13.711 3.962 1.00 0.85 H new ATOM 0 HB2 LEU A 44 -0.036 -15.005 4.533 1.00 0.95 H new ATOM 0 HB3 LEU A 44 1.034 -13.946 3.636 1.00 0.95 H new ATOM 0 HG LEU A 44 0.514 -12.105 5.225 1.00 1.26 H new ATOM 0 HD11 LEU A 44 -0.604 -12.638 7.354 1.00 1.75 H new ATOM 0 HD12 LEU A 44 -1.695 -12.840 5.962 1.00 1.75 H new ATOM 0 HD13 LEU A 44 -0.976 -14.268 6.744 1.00 1.75 H new ATOM 0 HD21 LEU A 44 1.811 -13.020 7.111 1.00 1.66 H new ATOM 0 HD22 LEU A 44 1.547 -14.665 6.485 1.00 1.66 H new ATOM 0 HD23 LEU A 44 2.499 -13.496 5.540 1.00 1.66 H new ATOM 729 N GLY A 45 0.262 -11.497 2.944 1.00 0.61 N ATOM 730 CA GLY A 45 0.448 -10.131 2.514 1.00 0.75 C ATOM 731 C GLY A 45 0.610 -9.154 3.656 1.00 0.61 C ATOM 732 O GLY A 45 1.596 -8.430 3.717 1.00 0.61 O ATOM 0 H GLY A 45 1.123 -12.034 3.047 1.00 0.61 H new ATOM 0 HA2 GLY A 45 1.328 -10.077 1.873 1.00 0.75 H new ATOM 0 HA3 GLY A 45 -0.406 -9.830 1.908 1.00 0.75 H new ATOM 736 N VAL A 46 -0.352 -9.129 4.562 1.00 0.54 N ATOM 737 CA VAL A 46 -0.355 -8.143 5.638 1.00 0.45 C ATOM 738 C VAL A 46 -0.771 -8.762 6.969 1.00 0.47 C ATOM 739 O VAL A 46 -1.663 -9.613 7.023 1.00 0.60 O ATOM 740 CB VAL A 46 -1.300 -6.962 5.313 1.00 0.47 C ATOM 741 CG1 VAL A 46 -1.390 -5.990 6.481 1.00 0.52 C ATOM 742 CG2 VAL A 46 -0.847 -6.232 4.057 1.00 0.49 C ATOM 0 H VAL A 46 -1.140 -9.776 4.578 1.00 0.54 H new ATOM 0 HA VAL A 46 0.667 -7.774 5.725 1.00 0.45 H new ATOM 0 HB VAL A 46 -2.292 -7.377 5.135 1.00 0.47 H new ATOM 0 HG11 VAL A 46 -2.061 -5.171 6.222 1.00 0.52 H new ATOM 0 HG12 VAL A 46 -1.774 -6.510 7.359 1.00 0.52 H new ATOM 0 HG13 VAL A 46 -0.399 -5.592 6.700 1.00 0.52 H new ATOM 0 HG21 VAL A 46 -1.528 -5.406 3.850 1.00 0.49 H new ATOM 0 HG22 VAL A 46 0.160 -5.843 4.206 1.00 0.49 H new ATOM 0 HG23 VAL A 46 -0.848 -6.923 3.214 1.00 0.49 H new ATOM 752 N ASP A 47 -0.123 -8.312 8.034 1.00 0.41 N ATOM 753 CA ASP A 47 -0.452 -8.726 9.386 1.00 0.49 C ATOM 754 C ASP A 47 -1.067 -7.550 10.127 1.00 0.52 C ATOM 755 O ASP A 47 -0.388 -6.563 10.408 1.00 0.57 O ATOM 756 CB ASP A 47 0.801 -9.213 10.111 1.00 0.58 C ATOM 757 CG ASP A 47 0.575 -9.410 11.592 1.00 0.79 C ATOM 758 OD1 ASP A 47 0.001 -10.443 11.980 1.00 1.11 O ATOM 759 OD2 ASP A 47 0.978 -8.532 12.377 1.00 0.95 O ATOM 0 H ASP A 47 0.649 -7.647 7.982 1.00 0.41 H new ATOM 0 HA ASP A 47 -1.166 -9.549 9.352 1.00 0.49 H new ATOM 0 HB2 ASP A 47 1.130 -10.154 9.669 1.00 0.58 H new ATOM 0 HB3 ASP A 47 1.605 -8.493 9.962 1.00 0.58 H new ATOM 764 N LYS A 48 -2.361 -7.647 10.401 1.00 0.63 N ATOM 765 CA LYS A 48 -3.109 -6.530 10.966 1.00 0.79 C ATOM 766 C LYS A 48 -2.909 -6.417 12.474 1.00 0.85 C ATOM 767 O LYS A 48 -2.989 -5.326 13.037 1.00 1.06 O ATOM 768 CB LYS A 48 -4.606 -6.664 10.661 1.00 1.01 C ATOM 769 CG LYS A 48 -4.919 -6.778 9.182 1.00 1.38 C ATOM 770 CD LYS A 48 -4.749 -8.202 8.683 1.00 1.34 C ATOM 771 CE LYS A 48 -4.557 -8.234 7.183 1.00 2.06 C ATOM 772 NZ LYS A 48 -4.521 -9.623 6.655 1.00 2.81 N ATOM 0 H LYS A 48 -2.916 -8.488 10.241 1.00 0.63 H new ATOM 0 HA LYS A 48 -2.723 -5.624 10.498 1.00 0.79 H new ATOM 0 HB2 LYS A 48 -4.995 -7.543 11.174 1.00 1.01 H new ATOM 0 HB3 LYS A 48 -5.130 -5.799 11.069 1.00 1.01 H new ATOM 0 HG2 LYS A 48 -5.941 -6.447 8.999 1.00 1.38 H new ATOM 0 HG3 LYS A 48 -4.264 -6.114 8.619 1.00 1.38 H new ATOM 0 HD2 LYS A 48 -3.891 -8.662 9.173 1.00 1.34 H new ATOM 0 HD3 LYS A 48 -5.624 -8.792 8.953 1.00 1.34 H new ATOM 0 HE2 LYS A 48 -5.366 -7.684 6.702 1.00 2.06 H new ATOM 0 HE3 LYS A 48 -3.629 -7.724 6.926 1.00 2.06 H new ATOM 0 HZ1 LYS A 48 -4.891 -9.635 5.683 1.00 2.81 H new ATOM 0 HZ2 LYS A 48 -3.540 -9.970 6.657 1.00 2.81 H new ATOM 0 HZ3 LYS A 48 -5.107 -10.238 7.255 1.00 2.81 H new ATOM 786 N LYS A 49 -2.666 -7.548 13.123 1.00 0.80 N ATOM 787 CA LYS A 49 -2.592 -7.587 14.579 1.00 0.97 C ATOM 788 C LYS A 49 -1.291 -6.982 15.103 1.00 1.14 C ATOM 789 O LYS A 49 -1.304 -6.236 16.082 1.00 1.32 O ATOM 790 CB LYS A 49 -2.780 -9.021 15.090 1.00 1.08 C ATOM 791 CG LYS A 49 -2.027 -10.071 14.290 1.00 1.35 C ATOM 792 CD LYS A 49 -2.308 -11.473 14.807 1.00 1.66 C ATOM 793 CE LYS A 49 -1.678 -12.537 13.921 1.00 2.40 C ATOM 794 NZ LYS A 49 -0.211 -12.353 13.781 1.00 3.17 N ATOM 0 H LYS A 49 -2.517 -8.448 12.667 1.00 0.80 H new ATOM 0 HA LYS A 49 -3.406 -6.973 14.965 1.00 0.97 H new ATOM 0 HB2 LYS A 49 -2.455 -9.070 16.129 1.00 1.08 H new ATOM 0 HB3 LYS A 49 -3.843 -9.263 15.077 1.00 1.08 H new ATOM 0 HG2 LYS A 49 -2.314 -10.005 13.240 1.00 1.35 H new ATOM 0 HG3 LYS A 49 -0.957 -9.871 14.341 1.00 1.35 H new ATOM 0 HD2 LYS A 49 -1.923 -11.570 15.822 1.00 1.66 H new ATOM 0 HD3 LYS A 49 -3.385 -11.633 14.858 1.00 1.66 H new ATOM 0 HE2 LYS A 49 -1.881 -13.523 14.340 1.00 2.40 H new ATOM 0 HE3 LYS A 49 -2.142 -12.508 12.935 1.00 2.40 H new ATOM 0 HZ1 LYS A 49 0.250 -13.282 13.708 1.00 3.17 H new ATOM 0 HZ2 LYS A 49 -0.011 -11.799 12.924 1.00 3.17 H new ATOM 0 HZ3 LYS A 49 0.157 -11.849 14.613 1.00 3.17 H new ATOM 808 N GLY A 50 -0.177 -7.293 14.457 1.00 1.22 N ATOM 809 CA GLY A 50 1.096 -6.737 14.870 1.00 1.53 C ATOM 810 C GLY A 50 1.459 -5.516 14.059 1.00 1.14 C ATOM 811 O GLY A 50 1.952 -4.521 14.597 1.00 1.29 O ATOM 0 H GLY A 50 -0.131 -7.920 13.654 1.00 1.22 H new ATOM 0 HA2 GLY A 50 1.053 -6.473 15.927 1.00 1.53 H new ATOM 0 HA3 GLY A 50 1.875 -7.491 14.762 1.00 1.53 H new ATOM 815 N GLY A 51 1.222 -5.598 12.757 1.00 0.77 N ATOM 816 CA GLY A 51 1.429 -4.459 11.893 1.00 0.65 C ATOM 817 C GLY A 51 2.649 -4.608 11.011 1.00 0.56 C ATOM 818 O GLY A 51 3.634 -3.892 11.183 1.00 0.60 O ATOM 0 H GLY A 51 0.889 -6.438 12.284 1.00 0.77 H new ATOM 0 HA2 GLY A 51 0.548 -4.319 11.267 1.00 0.65 H new ATOM 0 HA3 GLY A 51 1.534 -3.561 12.502 1.00 0.65 H new ATOM 822 N ARG A 52 2.593 -5.537 10.065 1.00 0.51 N ATOM 823 CA ARG A 52 3.699 -5.733 9.132 1.00 0.53 C ATOM 824 C ARG A 52 3.232 -6.454 7.870 1.00 0.50 C ATOM 825 O ARG A 52 2.411 -7.365 7.931 1.00 0.60 O ATOM 826 CB ARG A 52 4.846 -6.489 9.816 1.00 0.68 C ATOM 827 CG ARG A 52 4.438 -7.816 10.432 1.00 1.04 C ATOM 828 CD ARG A 52 5.284 -8.135 11.655 1.00 1.42 C ATOM 829 NE ARG A 52 6.700 -8.339 11.336 1.00 2.14 N ATOM 830 CZ ARG A 52 7.701 -7.696 11.946 1.00 2.80 C ATOM 831 NH1 ARG A 52 7.442 -6.710 12.797 1.00 2.98 N ATOM 832 NH2 ARG A 52 8.964 -8.016 11.683 1.00 3.72 N ATOM 0 H ARG A 52 1.800 -6.163 9.923 1.00 0.51 H new ATOM 0 HA ARG A 52 4.071 -4.755 8.828 1.00 0.53 H new ATOM 0 HB2 ARG A 52 5.635 -6.668 9.085 1.00 0.68 H new ATOM 0 HB3 ARG A 52 5.270 -5.855 10.595 1.00 0.68 H new ATOM 0 HG2 ARG A 52 3.385 -7.782 10.713 1.00 1.04 H new ATOM 0 HG3 ARG A 52 4.545 -8.611 9.694 1.00 1.04 H new ATOM 0 HD2 ARG A 52 5.193 -7.321 12.375 1.00 1.42 H new ATOM 0 HD3 ARG A 52 4.893 -9.031 12.136 1.00 1.42 H new ATOM 0 HE ARG A 52 6.936 -9.011 10.606 1.00 2.14 H new ATOM 0 HH11 ARG A 52 6.477 -6.441 12.987 1.00 2.98 H new ATOM 0 HH12 ARG A 52 8.208 -6.222 13.260 1.00 2.98 H new ATOM 0 HH21 ARG A 52 9.174 -8.756 11.013 1.00 3.72 H new ATOM 0 HH22 ARG A 52 9.723 -7.522 12.151 1.00 3.72 H new ATOM 846 N TRP A 53 3.742 -6.016 6.726 1.00 0.52 N ATOM 847 CA TRP A 53 3.354 -6.593 5.439 1.00 0.53 C ATOM 848 C TRP A 53 4.352 -7.668 5.023 1.00 0.57 C ATOM 849 O TRP A 53 5.486 -7.354 4.682 1.00 0.73 O ATOM 850 CB TRP A 53 3.306 -5.519 4.339 1.00 0.65 C ATOM 851 CG TRP A 53 2.351 -4.384 4.581 1.00 0.55 C ATOM 852 CD1 TRP A 53 1.855 -3.951 5.776 1.00 0.53 C ATOM 853 CD2 TRP A 53 1.795 -3.518 3.584 1.00 0.73 C ATOM 854 NE1 TRP A 53 1.027 -2.874 5.582 1.00 0.68 N ATOM 855 CE2 TRP A 53 0.970 -2.591 4.246 1.00 0.82 C ATOM 856 CE3 TRP A 53 1.914 -3.438 2.193 1.00 0.95 C ATOM 857 CZ2 TRP A 53 0.271 -1.598 3.568 1.00 1.11 C ATOM 858 CZ3 TRP A 53 1.216 -2.452 1.521 1.00 1.20 C ATOM 859 CH2 TRP A 53 0.404 -1.543 2.209 1.00 1.28 C ATOM 0 H TRP A 53 4.426 -5.262 6.660 1.00 0.52 H new ATOM 0 HA TRP A 53 2.361 -7.026 5.560 1.00 0.53 H new ATOM 0 HB2 TRP A 53 4.307 -5.107 4.214 1.00 0.65 H new ATOM 0 HB3 TRP A 53 3.040 -6.000 3.398 1.00 0.65 H new ATOM 0 HD1 TRP A 53 2.081 -4.392 6.736 1.00 0.53 H new ATOM 0 HE1 TRP A 53 0.534 -2.366 6.316 1.00 0.68 H new ATOM 0 HE3 TRP A 53 2.540 -4.134 1.654 1.00 0.95 H new ATOM 0 HZ2 TRP A 53 -0.355 -0.895 4.097 1.00 1.11 H new ATOM 0 HZ3 TRP A 53 1.299 -2.382 0.446 1.00 1.20 H new ATOM 0 HH2 TRP A 53 -0.128 -0.783 1.655 1.00 1.28 H new ATOM 870 N TYR A 54 3.938 -8.925 5.042 1.00 0.49 N ATOM 871 CA TYR A 54 4.822 -10.012 4.650 1.00 0.58 C ATOM 872 C TYR A 54 4.025 -11.188 4.098 1.00 0.49 C ATOM 873 O TYR A 54 2.826 -11.320 4.350 1.00 0.52 O ATOM 874 CB TYR A 54 5.709 -10.452 5.824 1.00 0.75 C ATOM 875 CG TYR A 54 4.982 -11.165 6.946 1.00 0.58 C ATOM 876 CD1 TYR A 54 5.255 -12.496 7.230 1.00 0.73 C ATOM 877 CD2 TYR A 54 4.037 -10.508 7.726 1.00 0.61 C ATOM 878 CE1 TYR A 54 4.609 -13.153 8.257 1.00 1.06 C ATOM 879 CE2 TYR A 54 3.386 -11.160 8.754 1.00 0.95 C ATOM 880 CZ TYR A 54 3.675 -12.481 9.016 1.00 1.20 C ATOM 881 OH TYR A 54 3.028 -13.132 10.044 1.00 1.66 O ATOM 0 H TYR A 54 3.002 -9.217 5.323 1.00 0.49 H new ATOM 0 HA TYR A 54 5.474 -9.645 3.858 1.00 0.58 H new ATOM 0 HB2 TYR A 54 6.490 -11.109 5.443 1.00 0.75 H new ATOM 0 HB3 TYR A 54 6.205 -9.572 6.234 1.00 0.75 H new ATOM 0 HD1 TYR A 54 5.985 -13.026 6.637 1.00 0.73 H new ATOM 0 HD2 TYR A 54 3.809 -9.472 7.525 1.00 0.61 H new ATOM 0 HE1 TYR A 54 4.834 -14.189 8.465 1.00 1.06 H new ATOM 0 HE2 TYR A 54 2.653 -10.637 9.350 1.00 0.95 H new ATOM 0 HH TYR A 54 2.403 -12.516 10.479 1.00 1.66 H new ATOM 891 N GLU A 55 4.698 -12.037 3.336 1.00 0.52 N ATOM 892 CA GLU A 55 4.051 -13.152 2.672 1.00 0.56 C ATOM 893 C GLU A 55 4.598 -14.471 3.175 1.00 0.62 C ATOM 894 O GLU A 55 5.730 -14.535 3.652 1.00 0.81 O ATOM 895 CB GLU A 55 4.309 -13.074 1.178 1.00 0.73 C ATOM 896 CG GLU A 55 3.908 -11.766 0.547 1.00 0.81 C ATOM 897 CD GLU A 55 4.560 -11.605 -0.798 1.00 1.51 C ATOM 898 OE1 GLU A 55 4.248 -12.398 -1.703 1.00 1.94 O ATOM 899 OE2 GLU A 55 5.348 -10.647 -0.964 1.00 2.12 O ATOM 0 H GLU A 55 5.701 -11.971 3.163 1.00 0.52 H new ATOM 0 HA GLU A 55 2.983 -13.096 2.884 1.00 0.56 H new ATOM 0 HB2 GLU A 55 5.370 -13.242 0.995 1.00 0.73 H new ATOM 0 HB3 GLU A 55 3.769 -13.882 0.685 1.00 0.73 H new ATOM 0 HG2 GLU A 55 2.824 -11.726 0.439 1.00 0.81 H new ATOM 0 HG3 GLU A 55 4.195 -10.939 1.197 1.00 0.81 H new ATOM 906 N ILE A 56 3.804 -15.519 3.043 1.00 0.63 N ATOM 907 CA ILE A 56 4.280 -16.866 3.299 1.00 0.68 C ATOM 908 C ILE A 56 5.092 -17.325 2.092 1.00 0.70 C ATOM 909 O ILE A 56 4.534 -17.655 1.047 1.00 0.80 O ATOM 910 CB ILE A 56 3.103 -17.844 3.533 1.00 0.83 C ATOM 911 CG1 ILE A 56 2.204 -17.347 4.671 1.00 0.90 C ATOM 912 CG2 ILE A 56 3.614 -19.247 3.829 1.00 0.92 C ATOM 913 CD1 ILE A 56 2.918 -17.201 5.998 1.00 0.90 C ATOM 0 H ILE A 56 2.826 -15.463 2.760 1.00 0.63 H new ATOM 0 HA ILE A 56 4.893 -16.861 4.200 1.00 0.68 H new ATOM 0 HB ILE A 56 2.510 -17.884 2.619 1.00 0.83 H new ATOM 0 HG12 ILE A 56 1.779 -16.383 4.390 1.00 0.90 H new ATOM 0 HG13 ILE A 56 1.371 -18.040 4.792 1.00 0.90 H new ATOM 0 HG21 ILE A 56 2.768 -19.916 3.990 1.00 0.92 H new ATOM 0 HG22 ILE A 56 4.204 -19.605 2.985 1.00 0.92 H new ATOM 0 HG23 ILE A 56 4.236 -19.226 4.724 1.00 0.92 H new ATOM 0 HD11 ILE A 56 2.216 -16.845 6.752 1.00 0.90 H new ATOM 0 HD12 ILE A 56 3.320 -18.167 6.303 1.00 0.90 H new ATOM 0 HD13 ILE A 56 3.733 -16.485 5.896 1.00 0.90 H new ATOM 925 N ASP A 57 6.411 -17.297 2.224 1.00 0.65 N ATOM 926 CA ASP A 57 7.295 -17.654 1.127 1.00 0.72 C ATOM 927 C ASP A 57 7.562 -19.162 1.121 1.00 0.76 C ATOM 928 O ASP A 57 7.036 -19.891 1.959 1.00 0.96 O ATOM 929 CB ASP A 57 8.600 -16.860 1.229 1.00 0.84 C ATOM 930 CG ASP A 57 9.405 -16.890 -0.054 1.00 1.35 C ATOM 931 OD1 ASP A 57 8.991 -16.236 -1.023 1.00 1.71 O ATOM 932 OD2 ASP A 57 10.456 -17.561 -0.089 1.00 1.97 O ATOM 0 H ASP A 57 6.892 -17.030 3.083 1.00 0.65 H new ATOM 0 HA ASP A 57 6.812 -17.400 0.184 1.00 0.72 H new ATOM 0 HB2 ASP A 57 8.372 -15.826 1.486 1.00 0.84 H new ATOM 0 HB3 ASP A 57 9.204 -17.264 2.041 1.00 0.84 H new ATOM 937 N GLU A 58 8.393 -19.618 0.192 1.00 0.87 N ATOM 938 CA GLU A 58 8.606 -21.044 -0.026 1.00 1.01 C ATOM 939 C GLU A 58 9.172 -21.745 1.214 1.00 1.04 C ATOM 940 O GLU A 58 8.740 -22.845 1.558 1.00 1.17 O ATOM 941 CB GLU A 58 9.524 -21.250 -1.233 1.00 1.35 C ATOM 942 CG GLU A 58 10.873 -20.562 -1.101 1.00 1.54 C ATOM 943 CD GLU A 58 11.610 -20.463 -2.418 1.00 2.04 C ATOM 944 OE1 GLU A 58 11.726 -19.346 -2.964 1.00 2.43 O ATOM 945 OE2 GLU A 58 12.072 -21.507 -2.921 1.00 2.21 O ATOM 0 H GLU A 58 8.935 -19.015 -0.427 1.00 0.87 H new ATOM 0 HA GLU A 58 7.636 -21.499 -0.226 1.00 1.01 H new ATOM 0 HB2 GLU A 58 9.684 -22.318 -1.378 1.00 1.35 H new ATOM 0 HB3 GLU A 58 9.023 -20.878 -2.127 1.00 1.35 H new ATOM 0 HG2 GLU A 58 10.727 -19.561 -0.695 1.00 1.54 H new ATOM 0 HG3 GLU A 58 11.487 -21.110 -0.386 1.00 1.54 H new ATOM 952 N GLN A 59 10.108 -21.099 1.906 1.00 1.10 N ATOM 953 CA GLN A 59 10.724 -21.703 3.089 1.00 1.36 C ATOM 954 C GLN A 59 10.104 -21.152 4.372 1.00 1.39 C ATOM 955 O GLN A 59 10.729 -21.164 5.432 1.00 1.70 O ATOM 956 CB GLN A 59 12.255 -21.499 3.104 1.00 1.60 C ATOM 957 CG GLN A 59 12.728 -20.066 3.342 1.00 1.69 C ATOM 958 CD GLN A 59 12.433 -19.144 2.182 1.00 1.62 C ATOM 959 OE1 GLN A 59 13.222 -19.036 1.246 1.00 2.39 O ATOM 960 NE2 GLN A 59 11.316 -18.447 2.250 1.00 1.40 N ATOM 0 H GLN A 59 10.454 -20.168 1.673 1.00 1.10 H new ATOM 0 HA GLN A 59 10.529 -22.774 3.040 1.00 1.36 H new ATOM 0 HB2 GLN A 59 12.681 -22.136 3.879 1.00 1.60 H new ATOM 0 HB3 GLN A 59 12.659 -21.842 2.151 1.00 1.60 H new ATOM 0 HG2 GLN A 59 12.248 -19.676 4.240 1.00 1.69 H new ATOM 0 HG3 GLN A 59 13.802 -20.071 3.531 1.00 1.69 H new ATOM 0 HE21 GLN A 59 10.688 -18.567 3.045 1.00 1.40 H new ATOM 0 HE22 GLN A 59 11.080 -17.788 1.508 1.00 1.40 H new ATOM 969 N GLY A 60 8.870 -20.684 4.274 1.00 1.19 N ATOM 970 CA GLY A 60 8.178 -20.168 5.436 1.00 1.39 C ATOM 971 C GLY A 60 7.550 -18.823 5.163 1.00 1.45 C ATOM 972 O GLY A 60 6.492 -18.741 4.561 1.00 2.29 O ATOM 0 H GLY A 60 8.333 -20.652 3.407 1.00 1.19 H new ATOM 0 HA2 GLY A 60 7.406 -20.874 5.743 1.00 1.39 H new ATOM 0 HA3 GLY A 60 8.878 -20.080 6.267 1.00 1.39 H new ATOM 976 N GLU A 61 8.205 -17.768 5.609 1.00 1.11 N ATOM 977 CA GLU A 61 7.766 -16.406 5.342 1.00 1.15 C ATOM 978 C GLU A 61 8.940 -15.443 5.434 1.00 1.26 C ATOM 979 O GLU A 61 9.093 -14.712 6.411 1.00 1.72 O ATOM 980 CB GLU A 61 6.620 -15.958 6.272 1.00 1.33 C ATOM 981 CG GLU A 61 6.375 -16.854 7.476 1.00 1.38 C ATOM 982 CD GLU A 61 7.499 -16.812 8.489 1.00 1.69 C ATOM 983 OE1 GLU A 61 8.448 -17.612 8.358 1.00 1.77 O ATOM 984 OE2 GLU A 61 7.454 -15.964 9.402 1.00 2.31 O ATOM 0 H GLU A 61 9.057 -17.828 6.167 1.00 1.11 H new ATOM 0 HA GLU A 61 7.370 -16.391 4.327 1.00 1.15 H new ATOM 0 HB2 GLU A 61 6.835 -14.950 6.627 1.00 1.33 H new ATOM 0 HB3 GLU A 61 5.701 -15.901 5.688 1.00 1.33 H new ATOM 0 HG2 GLU A 61 5.446 -16.554 7.961 1.00 1.38 H new ATOM 0 HG3 GLU A 61 6.240 -17.881 7.135 1.00 1.38 H new ATOM 991 N GLU A 62 9.781 -15.461 4.411 1.00 1.06 N ATOM 992 CA GLU A 62 10.910 -14.558 4.351 1.00 1.20 C ATOM 993 C GLU A 62 10.662 -13.536 3.256 1.00 1.00 C ATOM 994 O GLU A 62 11.198 -13.630 2.150 1.00 1.08 O ATOM 995 CB GLU A 62 12.206 -15.331 4.080 1.00 1.54 C ATOM 996 CG GLU A 62 13.462 -14.471 4.122 1.00 1.98 C ATOM 997 CD GLU A 62 13.831 -14.042 5.528 1.00 2.16 C ATOM 998 OE1 GLU A 62 13.048 -13.287 6.145 1.00 2.61 O ATOM 999 OE2 GLU A 62 14.907 -14.441 6.017 1.00 2.56 O ATOM 0 H GLU A 62 9.699 -16.092 3.614 1.00 1.06 H new ATOM 0 HA GLU A 62 11.020 -14.049 5.309 1.00 1.20 H new ATOM 0 HB2 GLU A 62 12.301 -16.130 4.815 1.00 1.54 H new ATOM 0 HB3 GLU A 62 12.136 -15.805 3.101 1.00 1.54 H new ATOM 0 HG2 GLU A 62 14.292 -15.027 3.686 1.00 1.98 H new ATOM 0 HG3 GLU A 62 13.312 -13.586 3.504 1.00 1.98 H new ATOM 1006 N HIS A 63 9.779 -12.603 3.548 1.00 0.90 N ATOM 1007 CA HIS A 63 9.530 -11.477 2.667 1.00 0.85 C ATOM 1008 C HIS A 63 9.727 -10.167 3.408 1.00 0.92 C ATOM 1009 O HIS A 63 9.471 -10.089 4.607 1.00 1.22 O ATOM 1010 CB HIS A 63 8.128 -11.565 2.066 1.00 0.96 C ATOM 1011 CG HIS A 63 8.111 -12.271 0.749 1.00 1.85 C ATOM 1012 ND1 HIS A 63 7.797 -11.652 -0.438 1.00 2.82 N ATOM 1013 CD2 HIS A 63 8.400 -13.552 0.435 1.00 2.22 C ATOM 1014 CE1 HIS A 63 7.902 -12.518 -1.425 1.00 3.72 C ATOM 1015 NE2 HIS A 63 8.265 -13.679 -0.919 1.00 3.37 N ATOM 0 H HIS A 63 9.215 -12.602 4.398 1.00 0.90 H new ATOM 0 HA HIS A 63 10.249 -11.511 1.848 1.00 0.85 H new ATOM 0 HB2 HIS A 63 7.470 -12.086 2.762 1.00 0.96 H new ATOM 0 HB3 HIS A 63 7.727 -10.559 1.940 1.00 0.96 H new ATOM 0 HD2 HIS A 63 8.685 -14.332 1.126 1.00 2.22 H new ATOM 0 HE1 HIS A 63 7.722 -12.312 -2.470 1.00 3.72 H new ATOM 0 HE2 HIS A 63 8.420 -14.535 -1.452 1.00 3.37 H new ATOM 1024 N THR A 64 10.187 -9.153 2.689 1.00 0.97 N ATOM 1025 CA THR A 64 10.437 -7.841 3.266 1.00 1.01 C ATOM 1026 C THR A 64 9.176 -7.272 3.904 1.00 1.50 C ATOM 1027 O THR A 64 8.225 -6.921 3.205 1.00 2.27 O ATOM 1028 CB THR A 64 10.951 -6.874 2.187 1.00 1.03 C ATOM 1029 OG1 THR A 64 10.152 -7.005 1.003 1.00 1.77 O ATOM 1030 CG2 THR A 64 12.403 -7.161 1.855 1.00 1.44 C ATOM 0 H THR A 64 10.397 -9.217 1.693 1.00 0.97 H new ATOM 0 HA THR A 64 11.195 -7.956 4.041 1.00 1.01 H new ATOM 0 HB THR A 64 10.877 -5.856 2.570 1.00 1.03 H new ATOM 0 HG1 THR A 64 9.203 -6.983 1.245 1.00 1.77 H new ATOM 0 HG21 THR A 64 12.746 -6.465 1.089 1.00 1.44 H new ATOM 0 HG22 THR A 64 13.011 -7.043 2.752 1.00 1.44 H new ATOM 0 HG23 THR A 64 12.497 -8.182 1.485 1.00 1.44 H new ATOM 1038 N PHE A 65 9.171 -7.192 5.229 1.00 1.66 N ATOM 1039 CA PHE A 65 7.983 -6.766 5.948 1.00 2.32 C ATOM 1040 C PHE A 65 7.794 -5.255 5.872 1.00 1.96 C ATOM 1041 O PHE A 65 8.690 -4.479 6.220 1.00 2.43 O ATOM 1042 CB PHE A 65 8.005 -7.247 7.413 1.00 3.26 C ATOM 1043 CG PHE A 65 9.071 -6.625 8.279 1.00 4.27 C ATOM 1044 CD1 PHE A 65 10.349 -7.166 8.323 1.00 4.99 C ATOM 1045 CD2 PHE A 65 8.800 -5.499 9.041 1.00 4.69 C ATOM 1046 CE1 PHE A 65 11.331 -6.599 9.112 1.00 6.10 C ATOM 1047 CE2 PHE A 65 9.781 -4.928 9.831 1.00 5.77 C ATOM 1048 CZ PHE A 65 11.028 -5.476 9.888 1.00 6.48 C ATOM 0 H PHE A 65 9.971 -7.415 5.821 1.00 1.66 H new ATOM 0 HA PHE A 65 7.128 -7.232 5.459 1.00 2.32 H new ATOM 0 HB2 PHE A 65 7.032 -7.043 7.860 1.00 3.26 H new ATOM 0 HB3 PHE A 65 8.139 -8.329 7.421 1.00 3.26 H new ATOM 0 HD1 PHE A 65 10.578 -8.041 7.733 1.00 4.99 H new ATOM 0 HD2 PHE A 65 7.812 -5.063 9.017 1.00 4.69 H new ATOM 0 HE1 PHE A 65 12.325 -7.020 9.129 1.00 6.10 H new ATOM 0 HE2 PHE A 65 9.558 -4.042 10.407 1.00 5.77 H new ATOM 0 HZ PHE A 65 11.780 -5.044 10.531 1.00 6.48 H new ATOM 1058 N GLY A 66 6.641 -4.849 5.357 1.00 1.23 N ATOM 1059 CA GLY A 66 6.251 -3.455 5.410 1.00 0.93 C ATOM 1060 C GLY A 66 6.153 -2.999 6.846 1.00 0.80 C ATOM 1061 O GLY A 66 5.566 -3.700 7.673 1.00 0.96 O ATOM 0 H GLY A 66 5.967 -5.464 4.902 1.00 1.23 H new ATOM 0 HA2 GLY A 66 6.979 -2.845 4.875 1.00 0.93 H new ATOM 0 HA3 GLY A 66 5.292 -3.318 4.910 1.00 0.93 H new ATOM 1065 N LEU A 67 6.703 -1.839 7.159 1.00 0.64 N ATOM 1066 CA LEU A 67 6.870 -1.468 8.551 1.00 0.65 C ATOM 1067 C LEU A 67 5.741 -0.562 9.010 1.00 0.51 C ATOM 1068 O LEU A 67 5.835 0.661 8.934 1.00 0.54 O ATOM 1069 CB LEU A 67 8.245 -0.816 8.805 1.00 0.76 C ATOM 1070 CG LEU A 67 8.657 0.315 7.852 1.00 0.64 C ATOM 1071 CD1 LEU A 67 9.637 1.252 8.543 1.00 1.17 C ATOM 1072 CD2 LEU A 67 9.298 -0.243 6.583 1.00 1.14 C ATOM 0 H LEU A 67 7.035 -1.151 6.483 1.00 0.64 H new ATOM 0 HA LEU A 67 6.831 -2.383 9.142 1.00 0.65 H new ATOM 0 HB2 LEU A 67 8.253 -0.424 9.822 1.00 0.76 H new ATOM 0 HB3 LEU A 67 9.005 -1.595 8.757 1.00 0.76 H new ATOM 0 HG LEU A 67 7.757 0.865 7.576 1.00 0.64 H new ATOM 0 HD11 LEU A 67 9.922 2.050 7.858 1.00 1.17 H new ATOM 0 HD12 LEU A 67 9.167 1.683 9.427 1.00 1.17 H new ATOM 0 HD13 LEU A 67 10.525 0.695 8.840 1.00 1.17 H new ATOM 0 HD21 LEU A 67 9.580 0.580 5.926 1.00 1.14 H new ATOM 0 HD22 LEU A 67 10.186 -0.818 6.846 1.00 1.14 H new ATOM 0 HD23 LEU A 67 8.586 -0.890 6.070 1.00 1.14 H new ATOM 1084 N ILE A 68 4.659 -1.170 9.474 1.00 0.43 N ATOM 1085 CA ILE A 68 3.523 -0.404 9.950 1.00 0.38 C ATOM 1086 C ILE A 68 3.854 0.234 11.289 1.00 0.45 C ATOM 1087 O ILE A 68 4.289 -0.441 12.223 1.00 0.61 O ATOM 1088 CB ILE A 68 2.245 -1.258 10.097 1.00 0.38 C ATOM 1089 CG1 ILE A 68 1.878 -1.931 8.770 1.00 0.38 C ATOM 1090 CG2 ILE A 68 1.097 -0.387 10.580 1.00 0.46 C ATOM 1091 CD1 ILE A 68 0.604 -2.748 8.835 1.00 0.44 C ATOM 0 H ILE A 68 4.546 -2.182 9.530 1.00 0.43 H new ATOM 0 HA ILE A 68 3.322 0.361 9.200 1.00 0.38 H new ATOM 0 HB ILE A 68 2.436 -2.041 10.831 1.00 0.38 H new ATOM 0 HG12 ILE A 68 1.770 -1.165 8.002 1.00 0.38 H new ATOM 0 HG13 ILE A 68 2.699 -2.578 8.461 1.00 0.38 H new ATOM 0 HG21 ILE A 68 0.198 -0.994 10.682 1.00 0.46 H new ATOM 0 HG22 ILE A 68 1.352 0.049 11.546 1.00 0.46 H new ATOM 0 HG23 ILE A 68 0.917 0.410 9.859 1.00 0.46 H new ATOM 0 HD11 ILE A 68 0.408 -3.194 7.860 1.00 0.44 H new ATOM 0 HD12 ILE A 68 0.715 -3.537 9.579 1.00 0.44 H new ATOM 0 HD13 ILE A 68 -0.229 -2.102 9.113 1.00 0.44 H new ATOM 1103 N ARG A 69 3.669 1.539 11.366 1.00 0.43 N ATOM 1104 CA ARG A 69 3.927 2.272 12.591 1.00 0.55 C ATOM 1105 C ARG A 69 2.634 2.403 13.383 1.00 0.51 C ATOM 1106 O ARG A 69 2.645 2.530 14.607 1.00 0.67 O ATOM 1107 CB ARG A 69 4.484 3.667 12.281 1.00 0.70 C ATOM 1108 CG ARG A 69 5.526 3.696 11.169 1.00 1.19 C ATOM 1109 CD ARG A 69 6.689 2.756 11.443 1.00 0.74 C ATOM 1110 NE ARG A 69 7.330 3.027 12.728 1.00 1.08 N ATOM 1111 CZ ARG A 69 8.645 3.036 12.919 1.00 1.35 C ATOM 1112 NH1 ARG A 69 9.471 2.821 11.903 1.00 2.00 N ATOM 1113 NH2 ARG A 69 9.126 3.255 14.137 1.00 1.83 N ATOM 0 H ARG A 69 3.340 2.115 10.591 1.00 0.43 H new ATOM 0 HA ARG A 69 4.667 1.726 13.177 1.00 0.55 H new ATOM 0 HB2 ARG A 69 3.657 4.322 12.005 1.00 0.70 H new ATOM 0 HB3 ARG A 69 4.927 4.078 13.188 1.00 0.70 H new ATOM 0 HG2 ARG A 69 5.055 3.422 10.225 1.00 1.19 H new ATOM 0 HG3 ARG A 69 5.903 4.712 11.054 1.00 1.19 H new ATOM 0 HD2 ARG A 69 6.332 1.726 11.427 1.00 0.74 H new ATOM 0 HD3 ARG A 69 7.425 2.850 10.645 1.00 0.74 H new ATOM 0 HE ARG A 69 6.730 3.222 13.529 1.00 1.08 H new ATOM 0 HH11 ARG A 69 9.097 2.648 10.970 1.00 2.00 H new ATOM 0 HH12 ARG A 69 10.480 2.829 12.055 1.00 2.00 H new ATOM 0 HH21 ARG A 69 8.488 3.414 14.916 1.00 1.83 H new ATOM 0 HH22 ARG A 69 10.134 3.264 14.293 1.00 1.83 H new ATOM 1127 N LYS A 70 1.515 2.371 12.666 1.00 0.39 N ATOM 1128 CA LYS A 70 0.211 2.541 13.277 1.00 0.41 C ATOM 1129 C LYS A 70 -0.909 2.130 12.323 1.00 0.35 C ATOM 1130 O LYS A 70 -0.898 2.490 11.147 1.00 0.40 O ATOM 1131 CB LYS A 70 0.042 4.002 13.704 1.00 0.53 C ATOM 1132 CG LYS A 70 -1.329 4.333 14.259 1.00 0.62 C ATOM 1133 CD LYS A 70 -1.270 5.532 15.195 1.00 0.99 C ATOM 1134 CE LYS A 70 -0.871 6.803 14.460 1.00 1.08 C ATOM 1135 NZ LYS A 70 -1.985 7.342 13.639 1.00 1.53 N ATOM 0 H LYS A 70 1.491 2.228 11.656 1.00 0.39 H new ATOM 0 HA LYS A 70 0.147 1.894 14.152 1.00 0.41 H new ATOM 0 HB2 LYS A 70 0.793 4.238 14.458 1.00 0.53 H new ATOM 0 HB3 LYS A 70 0.239 4.645 12.846 1.00 0.53 H new ATOM 0 HG2 LYS A 70 -2.015 4.542 13.439 1.00 0.62 H new ATOM 0 HG3 LYS A 70 -1.726 3.470 14.794 1.00 0.62 H new ATOM 0 HD2 LYS A 70 -2.243 5.674 15.665 1.00 0.99 H new ATOM 0 HD3 LYS A 70 -0.555 5.335 15.994 1.00 0.99 H new ATOM 0 HE2 LYS A 70 -0.555 7.556 15.182 1.00 1.08 H new ATOM 0 HE3 LYS A 70 -0.014 6.597 13.819 1.00 1.08 H new ATOM 0 HZ1 LYS A 70 -1.683 8.226 13.182 1.00 1.53 H new ATOM 0 HZ2 LYS A 70 -2.247 6.647 12.911 1.00 1.53 H new ATOM 0 HZ3 LYS A 70 -2.806 7.531 14.249 1.00 1.53 H new ATOM 1149 N VAL A 71 -1.857 1.360 12.843 1.00 0.35 N ATOM 1150 CA VAL A 71 -3.049 0.977 12.099 1.00 0.36 C ATOM 1151 C VAL A 71 -4.264 1.590 12.782 1.00 0.37 C ATOM 1152 O VAL A 71 -4.665 1.150 13.858 1.00 0.47 O ATOM 1153 CB VAL A 71 -3.236 -0.564 12.021 1.00 0.44 C ATOM 1154 CG1 VAL A 71 -4.530 -0.913 11.298 1.00 0.88 C ATOM 1155 CG2 VAL A 71 -2.055 -1.238 11.334 1.00 0.77 C ATOM 0 H VAL A 71 -1.821 0.984 13.791 1.00 0.35 H new ATOM 0 HA VAL A 71 -2.937 1.343 11.078 1.00 0.36 H new ATOM 0 HB VAL A 71 -3.289 -0.938 13.044 1.00 0.44 H new ATOM 0 HG11 VAL A 71 -4.642 -1.996 11.254 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -5.375 -0.483 11.836 1.00 0.88 H new ATOM 0 HG13 VAL A 71 -4.501 -0.510 10.286 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -2.221 -2.315 11.298 1.00 0.77 H new ATOM 0 HG22 VAL A 71 -1.955 -0.852 10.320 1.00 0.77 H new ATOM 0 HG23 VAL A 71 -1.142 -1.030 11.892 1.00 0.77 H new ATOM 1165 N ASP A 72 -4.828 2.617 12.175 1.00 0.33 N ATOM 1166 CA ASP A 72 -5.932 3.342 12.789 1.00 0.36 C ATOM 1167 C ASP A 72 -7.256 2.952 12.156 1.00 0.35 C ATOM 1168 O ASP A 72 -7.951 3.816 11.618 1.00 0.40 O ATOM 1169 CB ASP A 72 -5.748 4.852 12.628 1.00 0.41 C ATOM 1170 CG ASP A 72 -4.470 5.383 13.225 1.00 0.84 C ATOM 1171 OD1 ASP A 72 -4.455 5.690 14.438 1.00 1.24 O ATOM 1172 OD2 ASP A 72 -3.460 5.468 12.496 1.00 1.42 O ATOM 0 H ASP A 72 -4.544 2.969 11.261 1.00 0.33 H new ATOM 0 HA ASP A 72 -5.939 3.081 13.847 1.00 0.36 H new ATOM 0 HB2 ASP A 72 -5.771 5.099 11.567 1.00 0.41 H new ATOM 0 HB3 ASP A 72 -6.592 5.362 13.092 1.00 0.41 H new ATOM 1177 N GLU A 73 -7.589 1.654 12.232 1.00 0.38 N ATOM 1178 CA GLU A 73 -8.871 1.109 11.740 1.00 0.39 C ATOM 1179 C GLU A 73 -9.213 1.630 10.322 1.00 0.38 C ATOM 1180 O GLU A 73 -8.338 2.161 9.632 1.00 0.56 O ATOM 1181 CB GLU A 73 -9.987 1.416 12.767 1.00 0.46 C ATOM 1182 CG GLU A 73 -10.345 2.889 12.917 1.00 0.52 C ATOM 1183 CD GLU A 73 -11.206 3.152 14.128 1.00 0.74 C ATOM 1184 OE1 GLU A 73 -10.768 2.854 15.258 1.00 0.96 O ATOM 1185 OE2 GLU A 73 -12.329 3.670 13.954 1.00 0.92 O ATOM 0 H GLU A 73 -6.976 0.947 12.638 1.00 0.38 H new ATOM 0 HA GLU A 73 -8.782 0.027 11.643 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -10.884 0.868 12.479 1.00 0.46 H new ATOM 0 HB3 GLU A 73 -9.679 1.033 13.740 1.00 0.46 H new ATOM 0 HG2 GLU A 73 -9.430 3.477 12.991 1.00 0.52 H new ATOM 0 HG3 GLU A 73 -10.869 3.226 12.022 1.00 0.52 H new ATOM 1192 N PRO A 74 -10.448 1.418 9.810 1.00 0.33 N ATOM 1193 CA PRO A 74 -10.902 2.108 8.599 1.00 0.32 C ATOM 1194 C PRO A 74 -10.975 3.619 8.813 1.00 0.31 C ATOM 1195 O PRO A 74 -12.043 4.171 9.079 1.00 0.35 O ATOM 1196 CB PRO A 74 -12.297 1.524 8.333 1.00 0.35 C ATOM 1197 CG PRO A 74 -12.325 0.240 9.088 1.00 0.36 C ATOM 1198 CD PRO A 74 -11.454 0.452 10.293 1.00 0.38 C ATOM 0 HA PRO A 74 -10.219 1.962 7.762 1.00 0.32 H new ATOM 0 HB2 PRO A 74 -13.080 2.201 8.675 1.00 0.35 H new ATOM 0 HB3 PRO A 74 -12.460 1.360 7.268 1.00 0.35 H new ATOM 0 HG2 PRO A 74 -13.342 -0.018 9.382 1.00 0.36 H new ATOM 0 HG3 PRO A 74 -11.952 -0.581 8.476 1.00 0.36 H new ATOM 0 HD2 PRO A 74 -12.021 0.847 11.136 1.00 0.38 H new ATOM 0 HD3 PRO A 74 -10.993 -0.478 10.626 1.00 0.38 H new ATOM 1206 N ASP A 75 -9.819 4.265 8.719 1.00 0.30 N ATOM 1207 CA ASP A 75 -9.691 5.701 8.956 1.00 0.31 C ATOM 1208 C ASP A 75 -8.329 6.195 8.483 1.00 0.30 C ATOM 1209 O ASP A 75 -8.236 6.954 7.520 1.00 0.33 O ATOM 1210 CB ASP A 75 -9.876 6.018 10.444 1.00 0.34 C ATOM 1211 CG ASP A 75 -9.613 7.472 10.789 1.00 0.37 C ATOM 1212 OD1 ASP A 75 -8.550 7.774 11.372 1.00 0.40 O ATOM 1213 OD2 ASP A 75 -10.461 8.327 10.450 1.00 0.50 O ATOM 0 H ASP A 75 -8.940 3.808 8.476 1.00 0.30 H new ATOM 0 HA ASP A 75 -10.469 6.214 8.390 1.00 0.31 H new ATOM 0 HB2 ASP A 75 -10.893 5.761 10.739 1.00 0.34 H new ATOM 0 HB3 ASP A 75 -9.206 5.387 11.028 1.00 0.34 H new ATOM 1218 N THR A 76 -7.271 5.739 9.146 1.00 0.28 N ATOM 1219 CA THR A 76 -5.912 6.138 8.793 1.00 0.29 C ATOM 1220 C THR A 76 -4.918 5.006 9.041 1.00 0.29 C ATOM 1221 O THR A 76 -5.204 4.070 9.781 1.00 0.35 O ATOM 1222 CB THR A 76 -5.463 7.396 9.571 1.00 0.32 C ATOM 1223 OG1 THR A 76 -5.934 7.347 10.923 1.00 0.34 O ATOM 1224 CG2 THR A 76 -5.974 8.659 8.907 1.00 0.35 C ATOM 0 H THR A 76 -7.328 5.092 9.932 1.00 0.28 H new ATOM 0 HA THR A 76 -5.924 6.374 7.729 1.00 0.29 H new ATOM 0 HB THR A 76 -4.373 7.413 9.568 1.00 0.32 H new ATOM 0 HG1 THR A 76 -6.846 7.704 10.965 1.00 0.34 H new ATOM 0 HG21 THR A 76 -5.643 9.528 9.475 1.00 0.35 H new ATOM 0 HG22 THR A 76 -5.583 8.720 7.891 1.00 0.35 H new ATOM 0 HG23 THR A 76 -7.063 8.639 8.876 1.00 0.35 H new ATOM 1232 N LEU A 77 -3.768 5.077 8.381 1.00 0.29 N ATOM 1233 CA LEU A 77 -2.695 4.111 8.587 1.00 0.31 C ATOM 1234 C LEU A 77 -1.350 4.793 8.387 1.00 0.33 C ATOM 1235 O LEU A 77 -1.120 5.437 7.363 1.00 0.41 O ATOM 1236 CB LEU A 77 -2.782 2.918 7.613 1.00 0.33 C ATOM 1237 CG LEU A 77 -4.123 2.191 7.534 1.00 0.32 C ATOM 1238 CD1 LEU A 77 -5.022 2.834 6.489 1.00 0.74 C ATOM 1239 CD2 LEU A 77 -3.903 0.723 7.215 1.00 0.69 C ATOM 0 H LEU A 77 -3.554 5.799 7.693 1.00 0.29 H new ATOM 0 HA LEU A 77 -2.798 3.732 9.604 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -2.530 3.275 6.615 1.00 0.33 H new ATOM 0 HB3 LEU A 77 -2.018 2.193 7.895 1.00 0.33 H new ATOM 0 HG LEU A 77 -4.618 2.269 8.502 1.00 0.32 H new ATOM 0 HD11 LEU A 77 -5.972 2.301 6.449 1.00 0.74 H new ATOM 0 HD12 LEU A 77 -5.201 3.876 6.755 1.00 0.74 H new ATOM 0 HD13 LEU A 77 -4.538 2.787 5.514 1.00 0.74 H new ATOM 0 HD21 LEU A 77 -4.865 0.214 7.161 1.00 0.69 H new ATOM 0 HD22 LEU A 77 -3.390 0.632 6.258 1.00 0.69 H new ATOM 0 HD23 LEU A 77 -3.295 0.268 7.997 1.00 0.69 H new ATOM 1251 N VAL A 78 -0.476 4.667 9.366 1.00 0.32 N ATOM 1252 CA VAL A 78 0.890 5.151 9.232 1.00 0.36 C ATOM 1253 C VAL A 78 1.821 3.964 9.033 1.00 0.34 C ATOM 1254 O VAL A 78 2.132 3.244 9.979 1.00 0.36 O ATOM 1255 CB VAL A 78 1.345 5.965 10.463 1.00 0.43 C ATOM 1256 CG1 VAL A 78 2.770 6.475 10.281 1.00 0.52 C ATOM 1257 CG2 VAL A 78 0.390 7.120 10.717 1.00 0.67 C ATOM 0 H VAL A 78 -0.685 4.233 10.265 1.00 0.32 H new ATOM 0 HA VAL A 78 0.927 5.817 8.370 1.00 0.36 H new ATOM 0 HB VAL A 78 1.331 5.307 11.332 1.00 0.43 H new ATOM 0 HG11 VAL A 78 3.068 7.045 11.161 1.00 0.52 H new ATOM 0 HG12 VAL A 78 3.445 5.629 10.151 1.00 0.52 H new ATOM 0 HG13 VAL A 78 2.817 7.116 9.400 1.00 0.52 H new ATOM 0 HG21 VAL A 78 0.724 7.684 11.588 1.00 0.67 H new ATOM 0 HG22 VAL A 78 0.371 7.775 9.846 1.00 0.67 H new ATOM 0 HG23 VAL A 78 -0.612 6.731 10.900 1.00 0.67 H new ATOM 1267 N ILE A 79 2.225 3.734 7.798 1.00 0.35 N ATOM 1268 CA ILE A 79 3.058 2.583 7.478 1.00 0.39 C ATOM 1269 C ILE A 79 4.291 3.010 6.682 1.00 0.40 C ATOM 1270 O ILE A 79 4.210 3.869 5.807 1.00 0.43 O ATOM 1271 CB ILE A 79 2.226 1.489 6.746 1.00 0.48 C ATOM 1272 CG1 ILE A 79 3.094 0.287 6.317 1.00 0.75 C ATOM 1273 CG2 ILE A 79 1.470 2.080 5.564 1.00 0.52 C ATOM 1274 CD1 ILE A 79 3.598 0.336 4.888 1.00 0.67 C ATOM 0 H ILE A 79 1.992 4.325 7.000 1.00 0.35 H new ATOM 0 HA ILE A 79 3.419 2.141 8.407 1.00 0.39 H new ATOM 0 HB ILE A 79 1.494 1.109 7.459 1.00 0.48 H new ATOM 0 HG12 ILE A 79 3.952 0.221 6.986 1.00 0.75 H new ATOM 0 HG13 ILE A 79 2.514 -0.626 6.450 1.00 0.75 H new ATOM 0 HG21 ILE A 79 0.897 1.296 5.070 1.00 0.52 H new ATOM 0 HG22 ILE A 79 0.792 2.857 5.917 1.00 0.52 H new ATOM 0 HG23 ILE A 79 2.179 2.511 4.857 1.00 0.52 H new ATOM 0 HD11 ILE A 79 4.197 -0.551 4.683 1.00 0.67 H new ATOM 0 HD12 ILE A 79 2.750 0.367 4.204 1.00 0.67 H new ATOM 0 HD13 ILE A 79 4.210 1.227 4.748 1.00 0.67 H new ATOM 1286 N GLY A 80 5.436 2.434 7.034 1.00 0.42 N ATOM 1287 CA GLY A 80 6.685 2.775 6.387 1.00 0.46 C ATOM 1288 C GLY A 80 6.959 1.917 5.169 1.00 0.46 C ATOM 1289 O GLY A 80 6.643 0.719 5.156 1.00 0.50 O ATOM 0 H GLY A 80 5.518 1.728 7.766 1.00 0.42 H new ATOM 0 HA2 GLY A 80 6.663 3.824 6.091 1.00 0.46 H new ATOM 0 HA3 GLY A 80 7.502 2.662 7.099 1.00 0.46 H new ATOM 1293 N TRP A 81 7.584 2.532 4.172 1.00 0.50 N ATOM 1294 CA TRP A 81 7.767 1.926 2.860 1.00 0.51 C ATOM 1295 C TRP A 81 8.649 0.687 2.886 1.00 0.53 C ATOM 1296 O TRP A 81 9.756 0.684 3.427 1.00 0.81 O ATOM 1297 CB TRP A 81 8.361 2.939 1.882 1.00 0.74 C ATOM 1298 CG TRP A 81 8.461 2.415 0.488 1.00 0.80 C ATOM 1299 CD1 TRP A 81 9.595 2.100 -0.204 1.00 0.74 C ATOM 1300 CD2 TRP A 81 7.367 2.133 -0.374 1.00 1.40 C ATOM 1301 NE1 TRP A 81 9.267 1.640 -1.457 1.00 0.88 N ATOM 1302 CE2 TRP A 81 7.897 1.656 -1.584 1.00 1.44 C ATOM 1303 CE3 TRP A 81 5.985 2.244 -0.233 1.00 2.08 C ATOM 1304 CZ2 TRP A 81 7.084 1.288 -2.648 1.00 2.12 C ATOM 1305 CZ3 TRP A 81 5.179 1.881 -1.290 1.00 2.78 C ATOM 1306 CH2 TRP A 81 5.730 1.409 -2.483 1.00 2.79 C ATOM 0 H TRP A 81 7.979 3.469 4.252 1.00 0.50 H new ATOM 0 HA TRP A 81 6.775 1.615 2.533 1.00 0.51 H new ATOM 0 HB2 TRP A 81 7.747 3.839 1.883 1.00 0.74 H new ATOM 0 HB3 TRP A 81 9.353 3.230 2.227 1.00 0.74 H new ATOM 0 HD1 TRP A 81 10.601 2.198 0.177 1.00 0.74 H new ATOM 0 HE1 TRP A 81 9.928 1.338 -2.172 1.00 0.88 H new ATOM 0 HE3 TRP A 81 5.554 2.608 0.688 1.00 2.08 H new ATOM 0 HZ2 TRP A 81 7.504 0.920 -3.572 1.00 2.12 H new ATOM 0 HZ3 TRP A 81 4.106 1.963 -1.194 1.00 2.78 H new ATOM 0 HH2 TRP A 81 5.073 1.133 -3.295 1.00 2.79 H new ATOM 1317 N ARG A 82 8.132 -0.341 2.246 1.00 0.54 N ATOM 1318 CA ARG A 82 8.831 -1.578 2.011 1.00 0.74 C ATOM 1319 C ARG A 82 8.246 -2.145 0.730 1.00 0.81 C ATOM 1320 O ARG A 82 7.187 -2.766 0.752 1.00 1.47 O ATOM 1321 CB ARG A 82 8.628 -2.558 3.166 1.00 1.06 C ATOM 1322 CG ARG A 82 9.739 -3.582 3.301 1.00 1.64 C ATOM 1323 CD ARG A 82 10.883 -3.035 4.139 1.00 2.68 C ATOM 1324 NE ARG A 82 12.029 -3.941 4.177 1.00 3.63 N ATOM 1325 CZ ARG A 82 12.308 -4.758 5.190 1.00 4.53 C ATOM 1326 NH1 ARG A 82 11.470 -4.871 6.211 1.00 4.80 N ATOM 1327 NH2 ARG A 82 13.422 -5.481 5.175 1.00 5.46 N ATOM 0 H ARG A 82 7.186 -0.334 1.865 1.00 0.54 H new ATOM 0 HA ARG A 82 9.905 -1.411 1.931 1.00 0.74 H new ATOM 0 HB2 ARG A 82 8.549 -1.997 4.097 1.00 1.06 H new ATOM 0 HB3 ARG A 82 7.681 -3.079 3.026 1.00 1.06 H new ATOM 0 HG2 ARG A 82 9.348 -4.490 3.761 1.00 1.64 H new ATOM 0 HG3 ARG A 82 10.107 -3.858 2.313 1.00 1.64 H new ATOM 0 HD2 ARG A 82 11.198 -2.073 3.735 1.00 2.68 H new ATOM 0 HD3 ARG A 82 10.532 -2.855 5.155 1.00 2.68 H new ATOM 0 HE ARG A 82 12.657 -3.948 3.373 1.00 3.63 H new ATOM 0 HH11 ARG A 82 10.605 -4.330 6.223 1.00 4.80 H new ATOM 0 HH12 ARG A 82 11.690 -5.499 6.984 1.00 4.80 H new ATOM 0 HH21 ARG A 82 14.065 -5.411 4.386 1.00 5.46 H new ATOM 0 HH22 ARG A 82 13.634 -6.107 5.952 1.00 5.46 H new ATOM 1341 N LEU A 83 8.897 -1.854 -0.384 1.00 0.79 N ATOM 1342 CA LEU A 83 8.336 -2.148 -1.697 1.00 0.86 C ATOM 1343 C LEU A 83 8.241 -3.645 -1.965 1.00 0.81 C ATOM 1344 O LEU A 83 8.431 -4.462 -1.064 1.00 1.21 O ATOM 1345 CB LEU A 83 9.156 -1.452 -2.793 1.00 1.23 C ATOM 1346 CG LEU A 83 10.686 -1.584 -2.706 1.00 1.13 C ATOM 1347 CD1 LEU A 83 11.146 -3.017 -2.910 1.00 1.55 C ATOM 1348 CD2 LEU A 83 11.341 -0.690 -3.735 1.00 1.28 C ATOM 0 H LEU A 83 9.817 -1.413 -0.408 1.00 0.79 H new ATOM 0 HA LEU A 83 7.318 -1.759 -1.710 1.00 0.86 H new ATOM 0 HB2 LEU A 83 8.836 -1.845 -3.758 1.00 1.23 H new ATOM 0 HB3 LEU A 83 8.906 -0.391 -2.782 1.00 1.23 H new ATOM 0 HG LEU A 83 10.984 -1.277 -1.703 1.00 1.13 H new ATOM 0 HD11 LEU A 83 12.233 -3.064 -2.840 1.00 1.55 H new ATOM 0 HD12 LEU A 83 10.706 -3.653 -2.142 1.00 1.55 H new ATOM 0 HD13 LEU A 83 10.830 -3.364 -3.894 1.00 1.55 H new ATOM 0 HD21 LEU A 83 12.424 -0.789 -3.667 1.00 1.28 H new ATOM 0 HD22 LEU A 83 11.012 -0.982 -4.732 1.00 1.28 H new ATOM 0 HD23 LEU A 83 11.059 0.346 -3.549 1.00 1.28 H new ATOM 1360 N ASN A 84 7.932 -3.991 -3.211 1.00 0.76 N ATOM 1361 CA ASN A 84 7.894 -5.382 -3.636 1.00 1.00 C ATOM 1362 C ASN A 84 9.322 -5.936 -3.624 1.00 1.25 C ATOM 1363 O ASN A 84 9.975 -6.058 -4.669 1.00 1.93 O ATOM 1364 CB ASN A 84 7.250 -5.504 -5.037 1.00 1.26 C ATOM 1365 CG ASN A 84 6.013 -4.615 -5.196 1.00 1.08 C ATOM 1366 OD1 ASN A 84 5.397 -4.207 -4.215 1.00 1.81 O ATOM 1367 ND2 ASN A 84 5.604 -4.340 -6.434 1.00 0.94 N ATOM 0 H ASN A 84 7.704 -3.322 -3.946 1.00 0.76 H new ATOM 0 HA ASN A 84 7.280 -5.966 -2.950 1.00 1.00 H new ATOM 0 HB2 ASN A 84 7.985 -5.236 -5.795 1.00 1.26 H new ATOM 0 HB3 ASN A 84 6.972 -6.543 -5.216 1.00 1.26 H new ATOM 0 HD21 ASN A 84 4.764 -3.780 -6.581 1.00 0.94 H new ATOM 0 HD22 ASN A 84 6.131 -4.689 -7.235 1.00 0.94 H new ATOM 1374 N GLY A 85 9.803 -6.230 -2.417 1.00 1.69 N ATOM 1375 CA GLY A 85 11.207 -6.523 -2.189 1.00 2.21 C ATOM 1376 C GLY A 85 11.597 -7.935 -2.548 1.00 1.96 C ATOM 1377 O GLY A 85 12.228 -8.636 -1.757 1.00 2.40 O ATOM 0 H GLY A 85 9.228 -6.270 -1.575 1.00 1.69 H new ATOM 0 HA2 GLY A 85 11.813 -5.829 -2.771 1.00 2.21 H new ATOM 0 HA3 GLY A 85 11.440 -6.347 -1.139 1.00 2.21 H new ATOM 1381 N PHE A 86 11.238 -8.340 -3.745 1.00 1.79 N ATOM 1382 CA PHE A 86 11.635 -9.631 -4.267 1.00 2.29 C ATOM 1383 C PHE A 86 12.162 -9.421 -5.674 1.00 2.14 C ATOM 1384 O PHE A 86 11.981 -10.248 -6.565 1.00 2.77 O ATOM 1385 CB PHE A 86 10.451 -10.605 -4.256 1.00 3.16 C ATOM 1386 CG PHE A 86 10.866 -12.042 -4.129 1.00 3.79 C ATOM 1387 CD1 PHE A 86 11.169 -12.588 -2.894 1.00 4.45 C ATOM 1388 CD2 PHE A 86 10.947 -12.850 -5.251 1.00 4.03 C ATOM 1389 CE1 PHE A 86 11.544 -13.912 -2.779 1.00 5.26 C ATOM 1390 CE2 PHE A 86 11.322 -14.175 -5.143 1.00 4.80 C ATOM 1391 CZ PHE A 86 11.645 -14.699 -3.884 1.00 5.38 C ATOM 0 H PHE A 86 10.665 -7.788 -4.383 1.00 1.79 H new ATOM 0 HA PHE A 86 12.414 -10.071 -3.644 1.00 2.29 H new ATOM 0 HB2 PHE A 86 9.788 -10.351 -3.429 1.00 3.16 H new ATOM 0 HB3 PHE A 86 9.877 -10.479 -5.174 1.00 3.16 H new ATOM 0 HD1 PHE A 86 11.111 -11.971 -2.009 1.00 4.45 H new ATOM 0 HD2 PHE A 86 10.714 -12.439 -6.222 1.00 4.03 H new ATOM 0 HE1 PHE A 86 11.759 -14.326 -1.805 1.00 5.26 H new ATOM 0 HE2 PHE A 86 11.366 -14.802 -6.021 1.00 4.80 H new ATOM 0 HZ PHE A 86 11.973 -15.724 -3.791 1.00 5.38 H new ATOM 1401 N GLY A 87 12.810 -8.278 -5.853 1.00 1.90 N ATOM 1402 CA GLY A 87 13.333 -7.900 -7.143 1.00 2.08 C ATOM 1403 C GLY A 87 13.806 -6.463 -7.147 1.00 1.87 C ATOM 1404 O GLY A 87 14.666 -6.085 -7.941 1.00 2.30 O ATOM 0 H GLY A 87 12.983 -7.599 -5.112 1.00 1.90 H new ATOM 0 HA2 GLY A 87 14.160 -8.558 -7.409 1.00 2.08 H new ATOM 0 HA3 GLY A 87 12.563 -8.033 -7.903 1.00 2.08 H new ATOM 1408 N ARG A 88 13.220 -5.653 -6.272 1.00 1.33 N ATOM 1409 CA ARG A 88 13.637 -4.275 -6.099 1.00 1.18 C ATOM 1410 C ARG A 88 14.161 -4.058 -4.687 1.00 1.09 C ATOM 1411 O ARG A 88 13.880 -4.852 -3.791 1.00 1.21 O ATOM 1412 CB ARG A 88 12.466 -3.334 -6.389 1.00 0.98 C ATOM 1413 CG ARG A 88 12.011 -3.381 -7.839 1.00 1.64 C ATOM 1414 CD ARG A 88 13.198 -3.378 -8.794 1.00 2.32 C ATOM 1415 NE ARG A 88 12.791 -3.391 -10.199 1.00 3.00 N ATOM 1416 CZ ARG A 88 12.983 -4.416 -11.030 1.00 3.96 C ATOM 1417 NH1 ARG A 88 13.580 -5.527 -10.605 1.00 4.44 N ATOM 1418 NH2 ARG A 88 12.590 -4.317 -12.294 1.00 4.77 N ATOM 0 H ARG A 88 12.448 -5.935 -5.668 1.00 1.33 H new ATOM 0 HA ARG A 88 14.441 -4.056 -6.802 1.00 1.18 H new ATOM 0 HB2 ARG A 88 11.628 -3.595 -5.742 1.00 0.98 H new ATOM 0 HB3 ARG A 88 12.756 -2.314 -6.138 1.00 0.98 H new ATOM 0 HG2 ARG A 88 11.411 -4.276 -8.005 1.00 1.64 H new ATOM 0 HG3 ARG A 88 11.371 -2.524 -8.049 1.00 1.64 H new ATOM 0 HD2 ARG A 88 13.809 -2.495 -8.605 1.00 2.32 H new ATOM 0 HD3 ARG A 88 13.823 -4.248 -8.593 1.00 2.32 H new ATOM 0 HE ARG A 88 12.329 -2.560 -10.568 1.00 3.00 H new ATOM 0 HH11 ARG A 88 13.894 -5.599 -9.637 1.00 4.44 H new ATOM 0 HH12 ARG A 88 13.723 -6.307 -11.247 1.00 4.44 H new ATOM 0 HH21 ARG A 88 12.144 -3.461 -12.624 1.00 4.77 H new ATOM 0 HH22 ARG A 88 12.734 -5.097 -12.935 1.00 4.77 H new ATOM 1432 N ILE A 89 14.925 -2.992 -4.499 1.00 1.08 N ATOM 1433 CA ILE A 89 15.512 -2.699 -3.200 1.00 1.08 C ATOM 1434 C ILE A 89 14.631 -1.743 -2.400 1.00 1.04 C ATOM 1435 O ILE A 89 14.346 -0.622 -2.822 1.00 1.15 O ATOM 1436 CB ILE A 89 16.956 -2.136 -3.348 1.00 1.29 C ATOM 1437 CG1 ILE A 89 17.577 -1.768 -1.981 1.00 1.86 C ATOM 1438 CG2 ILE A 89 16.975 -0.945 -4.297 1.00 1.11 C ATOM 1439 CD1 ILE A 89 17.269 -0.363 -1.490 1.00 1.70 C ATOM 0 H ILE A 89 15.153 -2.316 -5.228 1.00 1.08 H new ATOM 0 HA ILE A 89 15.575 -3.636 -2.647 1.00 1.08 H new ATOM 0 HB ILE A 89 17.572 -2.927 -3.776 1.00 1.29 H new ATOM 0 HG12 ILE A 89 17.226 -2.482 -1.236 1.00 1.86 H new ATOM 0 HG13 ILE A 89 18.659 -1.884 -2.048 1.00 1.86 H new ATOM 0 HG21 ILE A 89 17.993 -0.567 -4.386 1.00 1.11 H new ATOM 0 HG22 ILE A 89 16.616 -1.256 -5.278 1.00 1.11 H new ATOM 0 HG23 ILE A 89 16.329 -0.159 -3.907 1.00 1.11 H new ATOM 0 HD11 ILE A 89 17.749 -0.202 -0.525 1.00 1.70 H new ATOM 0 HD12 ILE A 89 17.646 0.364 -2.209 1.00 1.70 H new ATOM 0 HD13 ILE A 89 16.191 -0.243 -1.384 1.00 1.70 H new ATOM 1451 N ASP A 90 14.182 -2.217 -1.250 1.00 1.05 N ATOM 1452 CA ASP A 90 13.430 -1.402 -0.308 1.00 1.15 C ATOM 1453 C ASP A 90 14.380 -0.697 0.646 1.00 1.01 C ATOM 1454 O ASP A 90 15.319 -1.303 1.162 1.00 1.14 O ATOM 1455 CB ASP A 90 12.444 -2.275 0.473 1.00 1.54 C ATOM 1456 CG ASP A 90 13.088 -3.556 0.968 1.00 2.36 C ATOM 1457 OD1 ASP A 90 13.550 -3.592 2.127 1.00 2.64 O ATOM 1458 OD2 ASP A 90 13.153 -4.527 0.188 1.00 3.18 O ATOM 0 H ASP A 90 14.328 -3.178 -0.942 1.00 1.05 H new ATOM 0 HA ASP A 90 12.868 -0.650 -0.862 1.00 1.15 H new ATOM 0 HB2 ASP A 90 12.056 -1.713 1.322 1.00 1.54 H new ATOM 0 HB3 ASP A 90 11.593 -2.519 -0.163 1.00 1.54 H new ATOM 1463 N PRO A 91 14.164 0.607 0.870 1.00 1.32 N ATOM 1464 CA PRO A 91 15.004 1.402 1.767 1.00 1.52 C ATOM 1465 C PRO A 91 15.031 0.839 3.183 1.00 1.24 C ATOM 1466 O PRO A 91 16.101 0.542 3.712 1.00 1.58 O ATOM 1467 CB PRO A 91 14.344 2.786 1.755 1.00 2.16 C ATOM 1468 CG PRO A 91 13.550 2.823 0.497 1.00 2.36 C ATOM 1469 CD PRO A 91 13.098 1.411 0.255 1.00 1.92 C ATOM 0 HA PRO A 91 16.044 1.413 1.442 1.00 1.52 H new ATOM 0 HB2 PRO A 91 13.707 2.927 2.628 1.00 2.16 H new ATOM 0 HB3 PRO A 91 15.091 3.580 1.774 1.00 2.16 H new ATOM 0 HG2 PRO A 91 12.697 3.495 0.593 1.00 2.36 H new ATOM 0 HG3 PRO A 91 14.152 3.188 -0.335 1.00 2.36 H new ATOM 0 HD2 PRO A 91 12.129 1.214 0.714 1.00 1.92 H new ATOM 0 HD3 PRO A 91 12.996 1.198 -0.809 1.00 1.92 H new ATOM 1477 N ASP A 92 13.841 0.666 3.761 1.00 1.06 N ATOM 1478 CA ASP A 92 13.683 0.210 5.147 1.00 1.34 C ATOM 1479 C ASP A 92 14.501 1.054 6.122 1.00 1.18 C ATOM 1480 O ASP A 92 15.649 0.739 6.429 1.00 1.61 O ATOM 1481 CB ASP A 92 14.053 -1.269 5.297 1.00 1.93 C ATOM 1482 CG ASP A 92 13.874 -1.760 6.720 1.00 2.60 C ATOM 1483 OD1 ASP A 92 12.725 -2.041 7.115 1.00 2.98 O ATOM 1484 OD2 ASP A 92 14.883 -1.850 7.453 1.00 2.99 O ATOM 0 H ASP A 92 12.957 0.838 3.282 1.00 1.06 H new ATOM 0 HA ASP A 92 12.629 0.332 5.395 1.00 1.34 H new ATOM 0 HB2 ASP A 92 13.435 -1.867 4.627 1.00 1.93 H new ATOM 0 HB3 ASP A 92 15.089 -1.416 4.991 1.00 1.93 H new ATOM 1489 N ASN A 93 13.907 2.146 6.579 1.00 1.06 N ATOM 1490 CA ASN A 93 14.522 3.000 7.586 1.00 1.26 C ATOM 1491 C ASN A 93 13.451 3.858 8.231 1.00 1.04 C ATOM 1492 O ASN A 93 13.303 3.893 9.450 1.00 1.49 O ATOM 1493 CB ASN A 93 15.638 3.880 6.990 1.00 1.65 C ATOM 1494 CG ASN A 93 15.227 4.650 5.745 1.00 2.22 C ATOM 1495 OD1 ASN A 93 14.612 5.714 5.824 1.00 3.06 O ATOM 1496 ND2 ASN A 93 15.600 4.138 4.587 1.00 2.21 N ATOM 0 H ASN A 93 12.990 2.465 6.265 1.00 1.06 H new ATOM 0 HA ASN A 93 14.989 2.365 8.339 1.00 1.26 H new ATOM 0 HB2 ASN A 93 15.971 4.589 7.749 1.00 1.65 H new ATOM 0 HB3 ASN A 93 16.493 3.248 6.747 1.00 1.65 H new ATOM 0 HD21 ASN A 93 15.380 4.626 3.719 1.00 2.21 H new ATOM 0 HD22 ASN A 93 16.108 3.254 4.560 1.00 2.21 H new ATOM 1503 N SER A 94 12.708 4.535 7.389 1.00 0.68 N ATOM 1504 CA SER A 94 11.543 5.277 7.803 1.00 0.77 C ATOM 1505 C SER A 94 10.501 5.134 6.715 1.00 0.72 C ATOM 1506 O SER A 94 9.655 4.242 6.769 1.00 1.22 O ATOM 1507 CB SER A 94 11.891 6.750 8.018 1.00 1.19 C ATOM 1508 OG SER A 94 13.044 6.895 8.832 1.00 1.85 O ATOM 0 H SER A 94 12.897 4.586 6.388 1.00 0.68 H new ATOM 0 HA SER A 94 11.164 4.890 8.749 1.00 0.77 H new ATOM 0 HB2 SER A 94 12.061 7.230 7.054 1.00 1.19 H new ATOM 0 HB3 SER A 94 11.048 7.261 8.484 1.00 1.19 H new ATOM 0 HG SER A 94 13.064 7.798 9.213 1.00 1.85 H new ATOM 1514 N SER A 95 10.610 5.997 5.703 1.00 0.60 N ATOM 1515 CA SER A 95 9.832 5.865 4.481 1.00 0.67 C ATOM 1516 C SER A 95 8.324 5.841 4.769 1.00 0.70 C ATOM 1517 O SER A 95 7.538 5.344 3.969 1.00 1.27 O ATOM 1518 CB SER A 95 10.271 4.582 3.777 1.00 0.93 C ATOM 1519 OG SER A 95 11.685 4.533 3.647 1.00 1.44 O ATOM 0 H SER A 95 11.238 6.801 5.712 1.00 0.60 H new ATOM 0 HA SER A 95 10.013 6.729 3.841 1.00 0.67 H new ATOM 0 HB2 SER A 95 9.923 3.716 4.341 1.00 0.93 H new ATOM 0 HB3 SER A 95 9.809 4.527 2.791 1.00 0.93 H new ATOM 0 HG SER A 95 11.920 4.168 2.768 1.00 1.44 H new ATOM 1525 N GLU A 96 7.942 6.412 5.905 1.00 0.48 N ATOM 1526 CA GLU A 96 6.572 6.343 6.398 1.00 0.45 C ATOM 1527 C GLU A 96 5.629 7.195 5.559 1.00 0.45 C ATOM 1528 O GLU A 96 5.978 8.303 5.146 1.00 0.60 O ATOM 1529 CB GLU A 96 6.522 6.827 7.846 1.00 0.56 C ATOM 1530 CG GLU A 96 7.508 6.124 8.763 1.00 1.11 C ATOM 1531 CD GLU A 96 7.699 6.865 10.070 1.00 1.30 C ATOM 1532 OE1 GLU A 96 8.300 7.956 10.063 1.00 1.81 O ATOM 1533 OE2 GLU A 96 7.247 6.343 11.113 1.00 1.33 O ATOM 0 H GLU A 96 8.574 6.936 6.511 1.00 0.48 H new ATOM 0 HA GLU A 96 6.248 5.304 6.332 1.00 0.45 H new ATOM 0 HB2 GLU A 96 6.721 7.899 7.868 1.00 0.56 H new ATOM 0 HB3 GLU A 96 5.513 6.682 8.233 1.00 0.56 H new ATOM 0 HG2 GLU A 96 7.155 5.114 8.968 1.00 1.11 H new ATOM 0 HG3 GLU A 96 8.469 6.029 8.257 1.00 1.11 H new ATOM 1540 N PHE A 97 4.440 6.669 5.307 1.00 0.39 N ATOM 1541 CA PHE A 97 3.388 7.434 4.662 1.00 0.40 C ATOM 1542 C PHE A 97 2.109 7.392 5.478 1.00 0.41 C ATOM 1543 O PHE A 97 1.730 6.350 6.020 1.00 0.53 O ATOM 1544 CB PHE A 97 3.124 6.965 3.221 1.00 0.51 C ATOM 1545 CG PHE A 97 3.277 5.493 2.972 1.00 0.42 C ATOM 1546 CD1 PHE A 97 4.536 4.930 2.846 1.00 0.46 C ATOM 1547 CD2 PHE A 97 2.166 4.679 2.834 1.00 0.50 C ATOM 1548 CE1 PHE A 97 4.686 3.585 2.592 1.00 0.53 C ATOM 1549 CE2 PHE A 97 2.310 3.329 2.579 1.00 0.64 C ATOM 1550 CZ PHE A 97 3.572 2.782 2.458 1.00 0.63 C ATOM 0 H PHE A 97 4.180 5.711 5.541 1.00 0.39 H new ATOM 0 HA PHE A 97 3.736 8.466 4.608 1.00 0.40 H new ATOM 0 HB2 PHE A 97 2.111 7.257 2.944 1.00 0.51 H new ATOM 0 HB3 PHE A 97 3.803 7.499 2.556 1.00 0.51 H new ATOM 0 HD1 PHE A 97 5.412 5.554 2.948 1.00 0.46 H new ATOM 0 HD2 PHE A 97 1.177 5.103 2.927 1.00 0.50 H new ATOM 0 HE1 PHE A 97 5.674 3.159 2.498 1.00 0.53 H new ATOM 0 HE2 PHE A 97 1.437 2.702 2.474 1.00 0.64 H new ATOM 0 HZ PHE A 97 3.687 1.727 2.259 1.00 0.63 H new ATOM 1560 N THR A 98 1.470 8.547 5.584 1.00 0.35 N ATOM 1561 CA THR A 98 0.210 8.666 6.284 1.00 0.36 C ATOM 1562 C THR A 98 -0.944 8.467 5.314 1.00 0.33 C ATOM 1563 O THR A 98 -1.186 9.303 4.440 1.00 0.36 O ATOM 1564 CB THR A 98 0.076 10.045 6.959 1.00 0.38 C ATOM 1565 OG1 THR A 98 1.211 10.279 7.807 1.00 0.43 O ATOM 1566 CG2 THR A 98 -1.205 10.123 7.779 1.00 0.40 C ATOM 0 H THR A 98 1.812 9.422 5.187 1.00 0.35 H new ATOM 0 HA THR A 98 0.181 7.897 7.056 1.00 0.36 H new ATOM 0 HB THR A 98 0.035 10.809 6.183 1.00 0.38 H new ATOM 0 HG1 THR A 98 1.125 11.157 8.234 1.00 0.43 H new ATOM 0 HG21 THR A 98 -1.279 11.105 8.246 1.00 0.40 H new ATOM 0 HG22 THR A 98 -2.064 9.966 7.127 1.00 0.40 H new ATOM 0 HG23 THR A 98 -1.190 9.354 8.551 1.00 0.40 H new ATOM 1574 N VAL A 99 -1.627 7.345 5.440 1.00 0.33 N ATOM 1575 CA VAL A 99 -2.785 7.080 4.615 1.00 0.35 C ATOM 1576 C VAL A 99 -4.032 7.624 5.295 1.00 0.31 C ATOM 1577 O VAL A 99 -4.480 7.083 6.303 1.00 0.32 O ATOM 1578 CB VAL A 99 -2.957 5.567 4.350 1.00 0.45 C ATOM 1579 CG1 VAL A 99 -4.121 5.311 3.410 1.00 0.75 C ATOM 1580 CG2 VAL A 99 -1.673 4.974 3.784 1.00 0.87 C ATOM 0 H VAL A 99 -1.399 6.606 6.105 1.00 0.33 H new ATOM 0 HA VAL A 99 -2.637 7.576 3.656 1.00 0.35 H new ATOM 0 HB VAL A 99 -3.174 5.079 5.300 1.00 0.45 H new ATOM 0 HG11 VAL A 99 -4.222 4.239 3.239 1.00 0.75 H new ATOM 0 HG12 VAL A 99 -5.039 5.695 3.855 1.00 0.75 H new ATOM 0 HG13 VAL A 99 -3.939 5.814 2.460 1.00 0.75 H new ATOM 0 HG21 VAL A 99 -1.813 3.908 3.604 1.00 0.87 H new ATOM 0 HG22 VAL A 99 -1.425 5.471 2.846 1.00 0.87 H new ATOM 0 HG23 VAL A 99 -0.861 5.118 4.497 1.00 0.87 H new ATOM 1590 N THR A 100 -4.576 8.696 4.746 1.00 0.31 N ATOM 1591 CA THR A 100 -5.759 9.317 5.305 1.00 0.30 C ATOM 1592 C THR A 100 -6.985 8.977 4.472 1.00 0.26 C ATOM 1593 O THR A 100 -7.149 9.476 3.363 1.00 0.28 O ATOM 1594 CB THR A 100 -5.600 10.850 5.377 1.00 0.36 C ATOM 1595 OG1 THR A 100 -4.406 11.188 6.096 1.00 0.45 O ATOM 1596 CG2 THR A 100 -6.800 11.493 6.055 1.00 0.36 C ATOM 0 H THR A 100 -4.214 9.154 3.910 1.00 0.31 H new ATOM 0 HA THR A 100 -5.888 8.928 6.315 1.00 0.30 H new ATOM 0 HB THR A 100 -5.533 11.229 4.357 1.00 0.36 H new ATOM 0 HG1 THR A 100 -4.313 12.163 6.135 1.00 0.45 H new ATOM 0 HG21 THR A 100 -6.661 12.573 6.092 1.00 0.36 H new ATOM 0 HG22 THR A 100 -7.704 11.262 5.491 1.00 0.36 H new ATOM 0 HG23 THR A 100 -6.896 11.105 7.069 1.00 0.36 H new ATOM 1604 N PHE A 101 -7.833 8.109 4.997 1.00 0.25 N ATOM 1605 CA PHE A 101 -9.076 7.775 4.333 1.00 0.24 C ATOM 1606 C PHE A 101 -10.171 8.736 4.767 1.00 0.25 C ATOM 1607 O PHE A 101 -10.645 8.677 5.902 1.00 0.31 O ATOM 1608 CB PHE A 101 -9.499 6.337 4.642 1.00 0.26 C ATOM 1609 CG PHE A 101 -8.690 5.286 3.939 1.00 0.25 C ATOM 1610 CD1 PHE A 101 -8.725 5.186 2.562 1.00 0.31 C ATOM 1611 CD2 PHE A 101 -7.915 4.389 4.652 1.00 0.28 C ATOM 1612 CE1 PHE A 101 -7.998 4.215 1.904 1.00 0.34 C ATOM 1613 CE2 PHE A 101 -7.184 3.414 3.999 1.00 0.31 C ATOM 1614 CZ PHE A 101 -7.226 3.326 2.623 1.00 0.29 C ATOM 0 H PHE A 101 -7.681 7.624 5.881 1.00 0.25 H new ATOM 0 HA PHE A 101 -8.919 7.862 3.258 1.00 0.24 H new ATOM 0 HB2 PHE A 101 -9.428 6.174 5.717 1.00 0.26 H new ATOM 0 HB3 PHE A 101 -10.547 6.213 4.370 1.00 0.26 H new ATOM 0 HD1 PHE A 101 -9.329 5.877 1.993 1.00 0.31 H new ATOM 0 HD2 PHE A 101 -7.881 4.451 5.730 1.00 0.28 H new ATOM 0 HE1 PHE A 101 -8.033 4.151 0.826 1.00 0.34 H new ATOM 0 HE2 PHE A 101 -6.580 2.721 4.566 1.00 0.31 H new ATOM 0 HZ PHE A 101 -6.657 2.564 2.111 1.00 0.29 H new ATOM 1624 N VAL A 102 -10.556 9.629 3.875 1.00 0.29 N ATOM 1625 CA VAL A 102 -11.612 10.582 4.173 1.00 0.31 C ATOM 1626 C VAL A 102 -12.941 10.057 3.655 1.00 0.30 C ATOM 1627 O VAL A 102 -13.136 9.925 2.444 1.00 0.34 O ATOM 1628 CB VAL A 102 -11.327 11.969 3.555 1.00 0.36 C ATOM 1629 CG1 VAL A 102 -12.411 12.965 3.942 1.00 0.52 C ATOM 1630 CG2 VAL A 102 -9.955 12.473 3.985 1.00 0.54 C ATOM 0 H VAL A 102 -10.156 9.716 2.941 1.00 0.29 H new ATOM 0 HA VAL A 102 -11.654 10.700 5.256 1.00 0.31 H new ATOM 0 HB VAL A 102 -11.331 11.868 2.470 1.00 0.36 H new ATOM 0 HG11 VAL A 102 -12.190 13.935 3.496 1.00 0.52 H new ATOM 0 HG12 VAL A 102 -13.376 12.611 3.581 1.00 0.52 H new ATOM 0 HG13 VAL A 102 -12.444 13.064 5.027 1.00 0.52 H new ATOM 0 HG21 VAL A 102 -9.771 13.451 3.540 1.00 0.54 H new ATOM 0 HG22 VAL A 102 -9.922 12.556 5.071 1.00 0.54 H new ATOM 0 HG23 VAL A 102 -9.189 11.773 3.651 1.00 0.54 H new ATOM 1640 N ALA A 103 -13.841 9.740 4.572 1.00 0.31 N ATOM 1641 CA ALA A 103 -15.139 9.205 4.205 1.00 0.35 C ATOM 1642 C ALA A 103 -15.946 10.258 3.465 1.00 0.39 C ATOM 1643 O ALA A 103 -15.998 11.421 3.872 1.00 0.44 O ATOM 1644 CB ALA A 103 -15.888 8.719 5.437 1.00 0.44 C ATOM 0 H ALA A 103 -13.695 9.845 5.576 1.00 0.31 H new ATOM 0 HA ALA A 103 -14.991 8.352 3.543 1.00 0.35 H new ATOM 0 HB1 ALA A 103 -16.859 8.322 5.140 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -15.311 7.936 5.928 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -16.032 9.551 6.127 1.00 0.44 H new ATOM 1650 N ASP A 104 -16.561 9.856 2.372 1.00 0.48 N ATOM 1651 CA ASP A 104 -17.323 10.776 1.555 1.00 0.57 C ATOM 1652 C ASP A 104 -18.756 10.295 1.442 1.00 0.64 C ATOM 1653 O ASP A 104 -19.024 9.256 0.835 1.00 0.73 O ATOM 1654 CB ASP A 104 -16.701 10.902 0.164 1.00 0.58 C ATOM 1655 CG ASP A 104 -17.315 12.030 -0.634 1.00 1.21 C ATOM 1656 OD1 ASP A 104 -16.990 13.201 -0.355 1.00 1.34 O ATOM 1657 OD2 ASP A 104 -18.119 11.755 -1.546 1.00 2.03 O ATOM 0 H ASP A 104 -16.548 8.896 2.029 1.00 0.48 H new ATOM 0 HA ASP A 104 -17.309 11.758 2.028 1.00 0.57 H new ATOM 0 HB2 ASP A 104 -15.628 11.069 0.261 1.00 0.58 H new ATOM 0 HB3 ASP A 104 -16.830 9.964 -0.376 1.00 0.58 H new ATOM 1662 N GLY A 105 -19.666 11.035 2.051 1.00 0.71 N ATOM 1663 CA GLY A 105 -21.064 10.673 2.010 1.00 0.83 C ATOM 1664 C GLY A 105 -21.371 9.456 2.853 1.00 1.06 C ATOM 1665 O GLY A 105 -21.505 9.555 4.074 1.00 1.97 O ATOM 0 H GLY A 105 -19.460 11.885 2.576 1.00 0.71 H new ATOM 0 HA2 GLY A 105 -21.664 11.513 2.359 1.00 0.83 H new ATOM 0 HA3 GLY A 105 -21.356 10.479 0.978 1.00 0.83 H new ATOM 1669 N GLN A 106 -21.468 8.305 2.207 1.00 1.24 N ATOM 1670 CA GLN A 106 -21.818 7.075 2.898 1.00 2.07 C ATOM 1671 C GLN A 106 -21.189 5.856 2.223 1.00 1.73 C ATOM 1672 O GLN A 106 -20.985 4.827 2.862 1.00 2.51 O ATOM 1673 CB GLN A 106 -23.337 6.916 2.943 1.00 2.98 C ATOM 1674 CG GLN A 106 -23.975 6.839 1.565 1.00 3.83 C ATOM 1675 CD GLN A 106 -25.455 6.528 1.609 1.00 4.45 C ATOM 1676 OE1 GLN A 106 -25.988 5.887 0.706 1.00 4.84 O ATOM 1677 NE2 GLN A 106 -26.133 6.988 2.645 1.00 4.93 N ATOM 0 H GLN A 106 -21.309 8.197 1.205 1.00 1.24 H new ATOM 0 HA GLN A 106 -21.427 7.138 3.913 1.00 2.07 H new ATOM 0 HB2 GLN A 106 -23.584 6.013 3.501 1.00 2.98 H new ATOM 0 HB3 GLN A 106 -23.767 7.756 3.488 1.00 2.98 H new ATOM 0 HG2 GLN A 106 -23.825 7.787 1.049 1.00 3.83 H new ATOM 0 HG3 GLN A 106 -23.467 6.073 0.979 1.00 3.83 H new ATOM 0 HE21 GLN A 106 -25.654 7.516 3.374 1.00 4.93 H new ATOM 0 HE22 GLN A 106 -27.136 6.815 2.716 1.00 4.93 H new ATOM 1686 N LYS A 107 -20.900 5.968 0.931 1.00 0.73 N ATOM 1687 CA LYS A 107 -20.322 4.857 0.184 1.00 0.48 C ATOM 1688 C LYS A 107 -19.211 5.335 -0.740 1.00 0.38 C ATOM 1689 O LYS A 107 -18.823 4.641 -1.676 1.00 0.47 O ATOM 1690 CB LYS A 107 -21.411 4.107 -0.594 1.00 0.72 C ATOM 1691 CG LYS A 107 -22.407 5.003 -1.314 1.00 1.55 C ATOM 1692 CD LYS A 107 -23.554 4.186 -1.884 1.00 2.23 C ATOM 1693 CE LYS A 107 -24.671 5.075 -2.402 1.00 2.95 C ATOM 1694 NZ LYS A 107 -25.841 4.284 -2.863 1.00 3.53 N ATOM 0 H LYS A 107 -21.056 6.813 0.381 1.00 0.73 H new ATOM 0 HA LYS A 107 -19.877 4.162 0.896 1.00 0.48 H new ATOM 0 HB2 LYS A 107 -20.933 3.456 -1.326 1.00 0.72 H new ATOM 0 HB3 LYS A 107 -21.955 3.464 0.097 1.00 0.72 H new ATOM 0 HG2 LYS A 107 -22.796 5.751 -0.623 1.00 1.55 H new ATOM 0 HG3 LYS A 107 -21.904 5.542 -2.117 1.00 1.55 H new ATOM 0 HD2 LYS A 107 -23.185 3.555 -2.693 1.00 2.23 H new ATOM 0 HD3 LYS A 107 -23.945 3.521 -1.114 1.00 2.23 H new ATOM 0 HE2 LYS A 107 -24.984 5.761 -1.614 1.00 2.95 H new ATOM 0 HE3 LYS A 107 -24.298 5.684 -3.225 1.00 2.95 H new ATOM 0 HZ1 LYS A 107 -26.581 4.928 -3.209 1.00 3.53 H new ATOM 0 HZ2 LYS A 107 -25.549 3.648 -3.632 1.00 3.53 H new ATOM 0 HZ3 LYS A 107 -26.214 3.722 -2.071 1.00 3.53 H new ATOM 1708 N LYS A 108 -18.682 6.512 -0.454 1.00 0.32 N ATOM 1709 CA LYS A 108 -17.515 7.010 -1.156 1.00 0.29 C ATOM 1710 C LYS A 108 -16.414 7.299 -0.149 1.00 0.27 C ATOM 1711 O LYS A 108 -16.685 7.469 1.039 1.00 0.28 O ATOM 1712 CB LYS A 108 -17.845 8.281 -1.938 1.00 0.33 C ATOM 1713 CG LYS A 108 -17.699 8.138 -3.444 1.00 0.50 C ATOM 1714 CD LYS A 108 -18.789 7.262 -4.036 1.00 1.09 C ATOM 1715 CE LYS A 108 -18.587 7.061 -5.528 1.00 1.62 C ATOM 1716 NZ LYS A 108 -19.716 6.320 -6.147 1.00 2.44 N ATOM 0 H LYS A 108 -19.045 7.141 0.262 1.00 0.32 H new ATOM 0 HA LYS A 108 -17.184 6.252 -1.866 1.00 0.29 H new ATOM 0 HB2 LYS A 108 -18.868 8.580 -1.710 1.00 0.33 H new ATOM 0 HB3 LYS A 108 -17.194 9.085 -1.595 1.00 0.33 H new ATOM 0 HG2 LYS A 108 -17.733 9.124 -3.908 1.00 0.50 H new ATOM 0 HG3 LYS A 108 -16.723 7.711 -3.676 1.00 0.50 H new ATOM 0 HD2 LYS A 108 -18.793 6.294 -3.534 1.00 1.09 H new ATOM 0 HD3 LYS A 108 -19.762 7.718 -3.857 1.00 1.09 H new ATOM 0 HE2 LYS A 108 -18.480 8.031 -6.013 1.00 1.62 H new ATOM 0 HE3 LYS A 108 -17.659 6.516 -5.698 1.00 1.62 H new ATOM 0 HZ1 LYS A 108 -19.539 6.204 -7.165 1.00 2.44 H new ATOM 0 HZ2 LYS A 108 -19.802 5.384 -5.702 1.00 2.44 H new ATOM 0 HZ3 LYS A 108 -20.599 6.852 -6.008 1.00 2.44 H new ATOM 1730 N THR A 109 -15.178 7.332 -0.611 1.00 0.26 N ATOM 1731 CA THR A 109 -14.052 7.651 0.253 1.00 0.25 C ATOM 1732 C THR A 109 -12.868 8.146 -0.563 1.00 0.26 C ATOM 1733 O THR A 109 -12.362 7.441 -1.430 1.00 0.35 O ATOM 1734 CB THR A 109 -13.626 6.434 1.102 1.00 0.26 C ATOM 1735 OG1 THR A 109 -14.668 6.098 2.021 1.00 0.39 O ATOM 1736 CG2 THR A 109 -12.341 6.715 1.875 1.00 0.42 C ATOM 0 H THR A 109 -14.926 7.142 -1.581 1.00 0.26 H new ATOM 0 HA THR A 109 -14.378 8.443 0.927 1.00 0.25 H new ATOM 0 HB THR A 109 -13.442 5.600 0.424 1.00 0.26 H new ATOM 0 HG1 THR A 109 -15.378 6.771 1.970 1.00 0.39 H new ATOM 0 HG21 THR A 109 -12.070 5.837 2.462 1.00 0.42 H new ATOM 0 HG22 THR A 109 -11.538 6.945 1.175 1.00 0.42 H new ATOM 0 HG23 THR A 109 -12.495 7.564 2.541 1.00 0.42 H new ATOM 1744 N ARG A 110 -12.444 9.364 -0.291 1.00 0.25 N ATOM 1745 CA ARG A 110 -11.288 9.927 -0.960 1.00 0.27 C ATOM 1746 C ARG A 110 -10.087 9.850 -0.029 1.00 0.26 C ATOM 1747 O ARG A 110 -10.022 10.561 0.976 1.00 0.33 O ATOM 1748 CB ARG A 110 -11.564 11.377 -1.367 1.00 0.35 C ATOM 1749 CG ARG A 110 -10.437 12.038 -2.148 1.00 0.68 C ATOM 1750 CD ARG A 110 -10.305 11.473 -3.555 1.00 0.62 C ATOM 1751 NE ARG A 110 -9.285 12.180 -4.323 1.00 1.27 N ATOM 1752 CZ ARG A 110 -8.887 11.833 -5.544 1.00 1.75 C ATOM 1753 NH1 ARG A 110 -9.456 10.814 -6.177 1.00 2.08 N ATOM 1754 NH2 ARG A 110 -7.930 12.529 -6.141 1.00 2.59 N ATOM 0 H ARG A 110 -12.883 9.984 0.390 1.00 0.25 H new ATOM 0 HA ARG A 110 -11.077 9.358 -1.865 1.00 0.27 H new ATOM 0 HB2 ARG A 110 -12.472 11.406 -1.969 1.00 0.35 H new ATOM 0 HB3 ARG A 110 -11.759 11.963 -0.469 1.00 0.35 H new ATOM 0 HG2 ARG A 110 -10.617 13.111 -2.205 1.00 0.68 H new ATOM 0 HG3 ARG A 110 -9.497 11.900 -1.613 1.00 0.68 H new ATOM 0 HD2 ARG A 110 -10.052 10.414 -3.501 1.00 0.62 H new ATOM 0 HD3 ARG A 110 -11.264 11.546 -4.069 1.00 0.62 H new ATOM 0 HE ARG A 110 -8.848 12.996 -3.894 1.00 1.27 H new ATOM 0 HH11 ARG A 110 -10.206 10.289 -5.727 1.00 2.08 H new ATOM 0 HH12 ARG A 110 -9.143 10.556 -7.113 1.00 2.08 H new ATOM 0 HH21 ARG A 110 -7.504 13.324 -5.664 1.00 2.59 H new ATOM 0 HH22 ARG A 110 -7.619 12.270 -7.077 1.00 2.59 H new ATOM 1768 N VAL A 111 -9.156 8.969 -0.346 1.00 0.27 N ATOM 1769 CA VAL A 111 -7.983 8.779 0.479 1.00 0.27 C ATOM 1770 C VAL A 111 -6.870 9.686 0.020 1.00 0.29 C ATOM 1771 O VAL A 111 -6.666 9.878 -1.180 1.00 0.32 O ATOM 1772 CB VAL A 111 -7.477 7.327 0.459 1.00 0.27 C ATOM 1773 CG1 VAL A 111 -7.564 6.779 -0.924 1.00 0.40 C ATOM 1774 CG2 VAL A 111 -6.038 7.248 0.896 1.00 0.33 C ATOM 0 H VAL A 111 -9.192 8.373 -1.173 1.00 0.27 H new ATOM 0 HA VAL A 111 -8.278 9.022 1.500 1.00 0.27 H new ATOM 0 HB VAL A 111 -8.100 6.752 1.144 1.00 0.27 H new ATOM 0 HG11 VAL A 111 -7.204 5.750 -0.931 1.00 0.40 H new ATOM 0 HG12 VAL A 111 -8.601 6.803 -1.260 1.00 0.40 H new ATOM 0 HG13 VAL A 111 -6.951 7.382 -1.594 1.00 0.40 H new ATOM 0 HG21 VAL A 111 -5.707 6.210 0.872 1.00 0.33 H new ATOM 0 HG22 VAL A 111 -5.420 7.841 0.222 1.00 0.33 H new ATOM 0 HG23 VAL A 111 -5.944 7.636 1.910 1.00 0.33 H new ATOM 1784 N ASP A 112 -6.146 10.190 0.990 1.00 0.31 N ATOM 1785 CA ASP A 112 -5.087 11.137 0.772 1.00 0.37 C ATOM 1786 C ASP A 112 -3.846 10.703 1.550 1.00 0.37 C ATOM 1787 O ASP A 112 -3.861 10.647 2.776 1.00 0.40 O ATOM 1788 CB ASP A 112 -5.591 12.495 1.234 1.00 0.50 C ATOM 1789 CG ASP A 112 -4.686 13.643 0.854 1.00 0.80 C ATOM 1790 OD1 ASP A 112 -3.778 13.967 1.648 1.00 1.12 O ATOM 1791 OD2 ASP A 112 -4.854 14.199 -0.251 1.00 1.38 O ATOM 0 H ASP A 112 -6.282 9.947 1.971 1.00 0.31 H new ATOM 0 HA ASP A 112 -4.808 11.191 -0.280 1.00 0.37 H new ATOM 0 HB2 ASP A 112 -6.580 12.669 0.810 1.00 0.50 H new ATOM 0 HB3 ASP A 112 -5.707 12.480 2.318 1.00 0.50 H new ATOM 1796 N VAL A 113 -2.797 10.338 0.832 1.00 0.38 N ATOM 1797 CA VAL A 113 -1.555 9.882 1.452 1.00 0.41 C ATOM 1798 C VAL A 113 -0.486 10.942 1.371 1.00 0.43 C ATOM 1799 O VAL A 113 -0.163 11.403 0.291 1.00 0.47 O ATOM 1800 CB VAL A 113 -1.010 8.594 0.780 1.00 0.50 C ATOM 1801 CG1 VAL A 113 0.511 8.446 0.967 1.00 0.91 C ATOM 1802 CG2 VAL A 113 -1.728 7.380 1.330 1.00 0.77 C ATOM 0 H VAL A 113 -2.777 10.347 -0.188 1.00 0.38 H new ATOM 0 HA VAL A 113 -1.795 9.670 2.494 1.00 0.41 H new ATOM 0 HB VAL A 113 -1.199 8.673 -0.290 1.00 0.50 H new ATOM 0 HG11 VAL A 113 0.850 7.531 0.481 1.00 0.91 H new ATOM 0 HG12 VAL A 113 1.017 9.302 0.522 1.00 0.91 H new ATOM 0 HG13 VAL A 113 0.744 8.399 2.031 1.00 0.91 H new ATOM 0 HG21 VAL A 113 -1.339 6.480 0.853 1.00 0.77 H new ATOM 0 HG22 VAL A 113 -1.567 7.319 2.406 1.00 0.77 H new ATOM 0 HG23 VAL A 113 -2.796 7.466 1.127 1.00 0.77 H new ATOM 1812 N GLU A 114 0.069 11.319 2.502 1.00 0.47 N ATOM 1813 CA GLU A 114 1.237 12.165 2.485 1.00 0.55 C ATOM 1814 C GLU A 114 2.432 11.410 3.025 1.00 0.60 C ATOM 1815 O GLU A 114 2.379 10.840 4.116 1.00 0.62 O ATOM 1816 CB GLU A 114 1.035 13.447 3.282 1.00 0.67 C ATOM 1817 CG GLU A 114 2.232 14.379 3.173 1.00 1.31 C ATOM 1818 CD GLU A 114 1.952 15.774 3.679 1.00 1.75 C ATOM 1819 OE1 GLU A 114 2.065 15.991 4.903 1.00 2.31 O ATOM 1820 OE2 GLU A 114 1.603 16.651 2.864 1.00 2.05 O ATOM 0 H GLU A 114 -0.264 11.057 3.430 1.00 0.47 H new ATOM 0 HA GLU A 114 1.415 12.449 1.448 1.00 0.55 H new ATOM 0 HB2 GLU A 114 0.142 13.960 2.924 1.00 0.67 H new ATOM 0 HB3 GLU A 114 0.862 13.200 4.329 1.00 0.67 H new ATOM 0 HG2 GLU A 114 3.065 13.957 3.735 1.00 1.31 H new ATOM 0 HG3 GLU A 114 2.547 14.434 2.131 1.00 1.31 H new ATOM 1827 N HIS A 115 3.491 11.376 2.242 1.00 0.70 N ATOM 1828 CA HIS A 115 4.741 10.826 2.707 1.00 0.80 C ATOM 1829 C HIS A 115 5.887 11.712 2.262 1.00 0.89 C ATOM 1830 O HIS A 115 5.997 12.053 1.084 1.00 1.17 O ATOM 1831 CB HIS A 115 4.923 9.369 2.261 1.00 0.92 C ATOM 1832 CG HIS A 115 5.000 9.101 0.789 1.00 0.87 C ATOM 1833 ND1 HIS A 115 6.186 9.079 0.089 1.00 1.59 N ATOM 1834 CD2 HIS A 115 4.045 8.724 -0.087 1.00 1.36 C ATOM 1835 CE1 HIS A 115 5.957 8.689 -1.147 1.00 1.64 C ATOM 1836 NE2 HIS A 115 4.664 8.467 -1.283 1.00 1.47 N ATOM 0 H HIS A 115 3.508 11.723 1.283 1.00 0.70 H new ATOM 0 HA HIS A 115 4.731 10.806 3.797 1.00 0.80 H new ATOM 0 HB2 HIS A 115 5.835 8.988 2.720 1.00 0.92 H new ATOM 0 HB3 HIS A 115 4.095 8.787 2.666 1.00 0.92 H new ATOM 0 HD1 HIS A 115 7.100 9.326 0.469 1.00 1.59 H new ATOM 0 HD2 HIS A 115 2.988 8.640 0.117 1.00 1.36 H new ATOM 0 HE1 HIS A 115 6.702 8.571 -1.920 1.00 1.64 H new ATOM 1845 N THR A 116 6.690 12.125 3.231 1.00 0.90 N ATOM 1846 CA THR A 116 7.767 13.067 2.997 1.00 1.08 C ATOM 1847 C THR A 116 9.045 12.615 3.691 1.00 0.83 C ATOM 1848 O THR A 116 9.390 13.116 4.762 1.00 1.67 O ATOM 1849 CB THR A 116 7.387 14.463 3.530 1.00 1.92 C ATOM 1850 OG1 THR A 116 6.899 14.356 4.877 1.00 2.67 O ATOM 1851 CG2 THR A 116 6.321 15.107 2.672 1.00 2.51 C ATOM 0 H THR A 116 6.611 11.815 4.200 1.00 0.90 H new ATOM 0 HA THR A 116 7.935 13.113 1.921 1.00 1.08 H new ATOM 0 HB THR A 116 8.282 15.084 3.502 1.00 1.92 H new ATOM 0 HG1 THR A 116 7.568 13.903 5.432 1.00 2.67 H new ATOM 0 HG21 THR A 116 6.075 16.090 3.074 1.00 2.51 H new ATOM 0 HG22 THR A 116 6.690 15.214 1.652 1.00 2.51 H new ATOM 0 HG23 THR A 116 5.428 14.482 2.671 1.00 2.51 H new ATOM 1859 N HIS A 117 9.744 11.650 3.114 1.00 0.72 N ATOM 1860 CA HIS A 117 10.963 11.173 3.735 1.00 1.13 C ATOM 1861 C HIS A 117 11.851 10.481 2.716 1.00 0.90 C ATOM 1862 O HIS A 117 12.844 11.042 2.266 1.00 0.97 O ATOM 1863 CB HIS A 117 10.635 10.218 4.889 1.00 1.98 C ATOM 1864 CG HIS A 117 11.656 10.228 5.986 1.00 2.07 C ATOM 1865 ND1 HIS A 117 11.320 10.176 7.320 1.00 2.40 N ATOM 1866 CD2 HIS A 117 13.008 10.280 5.944 1.00 2.33 C ATOM 1867 CE1 HIS A 117 12.418 10.200 8.050 1.00 2.60 C ATOM 1868 NE2 HIS A 117 13.456 10.263 7.238 1.00 2.63 N ATOM 0 H HIS A 117 9.494 11.193 2.237 1.00 0.72 H new ATOM 0 HA HIS A 117 11.503 12.032 4.133 1.00 1.13 H new ATOM 0 HB2 HIS A 117 9.664 10.485 5.306 1.00 1.98 H new ATOM 0 HB3 HIS A 117 10.546 9.205 4.497 1.00 1.98 H new ATOM 0 HD2 HIS A 117 13.620 10.326 5.055 1.00 2.33 H new ATOM 0 HE1 HIS A 117 12.460 10.173 9.129 1.00 2.60 H new ATOM 0 HE2 HIS A 117 14.434 10.294 7.527 1.00 2.63 H new ATOM 1877 N PHE A 118 11.478 9.266 2.348 1.00 0.76 N ATOM 1878 CA PHE A 118 12.284 8.459 1.441 1.00 0.76 C ATOM 1879 C PHE A 118 12.236 9.005 0.012 1.00 0.65 C ATOM 1880 O PHE A 118 13.190 8.873 -0.750 1.00 0.74 O ATOM 1881 CB PHE A 118 11.811 7.005 1.494 1.00 0.97 C ATOM 1882 CG PHE A 118 10.556 6.704 0.716 1.00 1.74 C ATOM 1883 CD1 PHE A 118 10.629 6.176 -0.565 1.00 2.35 C ATOM 1884 CD2 PHE A 118 9.309 6.920 1.275 1.00 2.32 C ATOM 1885 CE1 PHE A 118 9.484 5.876 -1.272 1.00 3.18 C ATOM 1886 CE2 PHE A 118 8.159 6.625 0.570 1.00 3.21 C ATOM 1887 CZ PHE A 118 8.247 6.100 -0.703 1.00 3.54 C ATOM 0 H PHE A 118 10.620 8.814 2.664 1.00 0.76 H new ATOM 0 HA PHE A 118 13.324 8.505 1.763 1.00 0.76 H new ATOM 0 HB2 PHE A 118 12.612 6.367 1.120 1.00 0.97 H new ATOM 0 HB3 PHE A 118 11.646 6.732 2.536 1.00 0.97 H new ATOM 0 HD1 PHE A 118 11.595 5.998 -1.014 1.00 2.35 H new ATOM 0 HD2 PHE A 118 9.234 7.324 2.274 1.00 2.32 H new ATOM 0 HE1 PHE A 118 9.555 5.467 -2.269 1.00 3.18 H new ATOM 0 HE2 PHE A 118 7.191 6.805 1.015 1.00 3.21 H new ATOM 0 HZ PHE A 118 7.348 5.865 -1.254 1.00 3.54 H new ATOM 1897 N ASP A 119 11.120 9.629 -0.323 1.00 0.66 N ATOM 1898 CA ASP A 119 10.898 10.233 -1.619 1.00 0.75 C ATOM 1899 C ASP A 119 11.723 11.502 -1.774 1.00 0.74 C ATOM 1900 O ASP A 119 12.461 11.670 -2.745 1.00 0.83 O ATOM 1901 CB ASP A 119 9.413 10.552 -1.712 1.00 0.94 C ATOM 1902 CG ASP A 119 8.862 10.992 -0.360 1.00 1.34 C ATOM 1903 OD1 ASP A 119 8.499 10.128 0.451 1.00 1.75 O ATOM 1904 OD2 ASP A 119 8.745 12.224 -0.131 1.00 1.81 O ATOM 0 H ASP A 119 10.329 9.730 0.313 1.00 0.66 H new ATOM 0 HA ASP A 119 11.202 9.553 -2.415 1.00 0.75 H new ATOM 0 HB2 ASP A 119 9.252 11.340 -2.448 1.00 0.94 H new ATOM 0 HB3 ASP A 119 8.870 9.674 -2.061 1.00 0.94 H new ATOM 1909 N ARG A 120 11.592 12.380 -0.790 1.00 0.76 N ATOM 1910 CA ARG A 120 12.333 13.636 -0.740 1.00 0.89 C ATOM 1911 C ARG A 120 13.849 13.398 -0.743 1.00 0.83 C ATOM 1912 O ARG A 120 14.623 14.294 -1.083 1.00 1.00 O ATOM 1913 CB ARG A 120 11.909 14.436 0.495 1.00 1.07 C ATOM 1914 CG ARG A 120 12.406 15.871 0.494 1.00 1.50 C ATOM 1915 CD ARG A 120 11.744 16.693 1.588 1.00 1.71 C ATOM 1916 NE ARG A 120 12.111 16.238 2.929 1.00 2.15 N ATOM 1917 CZ ARG A 120 11.268 16.208 3.965 1.00 2.66 C ATOM 1918 NH1 ARG A 120 10.003 16.578 3.810 1.00 2.90 N ATOM 1919 NH2 ARG A 120 11.699 15.810 5.157 1.00 3.38 N ATOM 0 H ARG A 120 10.965 12.242 0.002 1.00 0.76 H new ATOM 0 HA ARG A 120 12.097 14.210 -1.636 1.00 0.89 H new ATOM 0 HB2 ARG A 120 10.821 14.438 0.560 1.00 1.07 H new ATOM 0 HB3 ARG A 120 12.280 13.933 1.388 1.00 1.07 H new ATOM 0 HG2 ARG A 120 13.487 15.882 0.633 1.00 1.50 H new ATOM 0 HG3 ARG A 120 12.205 16.326 -0.476 1.00 1.50 H new ATOM 0 HD2 ARG A 120 12.026 17.740 1.473 1.00 1.71 H new ATOM 0 HD3 ARG A 120 10.661 16.640 1.473 1.00 1.71 H new ATOM 0 HE ARG A 120 13.069 15.924 3.082 1.00 2.15 H new ATOM 0 HH11 ARG A 120 9.670 16.887 2.897 1.00 2.90 H new ATOM 0 HH12 ARG A 120 9.363 16.553 4.604 1.00 2.90 H new ATOM 0 HH21 ARG A 120 12.672 15.528 5.280 1.00 3.38 H new ATOM 0 HH22 ARG A 120 11.057 15.786 5.950 1.00 3.38 H new ATOM 1933 N MET A 121 14.269 12.190 -0.362 1.00 0.73 N ATOM 1934 CA MET A 121 15.685 11.821 -0.404 1.00 0.91 C ATOM 1935 C MET A 121 16.205 11.813 -1.840 1.00 1.12 C ATOM 1936 O MET A 121 17.415 11.845 -2.067 1.00 1.41 O ATOM 1937 CB MET A 121 15.919 10.454 0.243 1.00 1.05 C ATOM 1938 CG MET A 121 15.751 10.452 1.752 1.00 1.28 C ATOM 1939 SD MET A 121 16.882 11.589 2.577 1.00 2.15 S ATOM 1940 CE MET A 121 16.438 11.328 4.293 1.00 2.43 C ATOM 0 H MET A 121 13.651 11.453 -0.022 1.00 0.73 H new ATOM 0 HA MET A 121 16.235 12.572 0.163 1.00 0.91 H new ATOM 0 HB2 MET A 121 15.226 9.734 -0.191 1.00 1.05 H new ATOM 0 HB3 MET A 121 16.926 10.115 -0.001 1.00 1.05 H new ATOM 0 HG2 MET A 121 14.725 10.723 2.000 1.00 1.28 H new ATOM 0 HG3 MET A 121 15.915 9.443 2.131 1.00 1.28 H new ATOM 0 HE1 MET A 121 17.054 11.964 4.929 1.00 2.43 H new ATOM 0 HE2 MET A 121 15.387 11.578 4.439 1.00 2.43 H new ATOM 0 HE3 MET A 121 16.603 10.283 4.557 1.00 2.43 H new ATOM 1950 N GLY A 122 15.275 11.731 -2.793 1.00 1.18 N ATOM 1951 CA GLY A 122 15.587 11.900 -4.206 1.00 1.61 C ATOM 1952 C GLY A 122 16.726 11.033 -4.714 1.00 1.21 C ATOM 1953 O GLY A 122 17.026 9.983 -4.135 1.00 1.30 O ATOM 0 H GLY A 122 14.290 11.546 -2.604 1.00 1.18 H new ATOM 0 HA2 GLY A 122 14.693 11.680 -4.790 1.00 1.61 H new ATOM 0 HA3 GLY A 122 15.836 12.946 -4.386 1.00 1.61 H new ATOM 1957 N THR A 123 17.331 11.481 -5.821 1.00 1.27 N ATOM 1958 CA THR A 123 18.483 10.828 -6.447 1.00 1.42 C ATOM 1959 C THR A 123 18.371 9.301 -6.458 1.00 1.27 C ATOM 1960 O THR A 123 17.351 8.749 -6.881 1.00 1.24 O ATOM 1961 CB THR A 123 19.810 11.262 -5.784 1.00 1.94 C ATOM 1962 OG1 THR A 123 19.694 11.251 -4.354 1.00 2.44 O ATOM 1963 CG2 THR A 123 20.212 12.647 -6.259 1.00 2.58 C ATOM 0 H THR A 123 17.027 12.321 -6.313 1.00 1.27 H new ATOM 0 HA THR A 123 18.484 11.159 -7.486 1.00 1.42 H new ATOM 0 HB THR A 123 20.581 10.549 -6.075 1.00 1.94 H new ATOM 0 HG1 THR A 123 20.545 11.527 -3.955 1.00 2.44 H new ATOM 0 HG21 THR A 123 21.148 12.937 -5.783 1.00 2.58 H new ATOM 0 HG22 THR A 123 20.343 12.637 -7.341 1.00 2.58 H new ATOM 0 HG23 THR A 123 19.433 13.363 -5.995 1.00 2.58 H new ATOM 1971 N LYS A 124 19.418 8.632 -5.981 1.00 1.28 N ATOM 1972 CA LYS A 124 19.480 7.174 -5.989 1.00 1.24 C ATOM 1973 C LYS A 124 18.343 6.563 -5.185 1.00 1.05 C ATOM 1974 O LYS A 124 17.773 5.559 -5.584 1.00 1.04 O ATOM 1975 CB LYS A 124 20.819 6.697 -5.426 1.00 1.43 C ATOM 1976 CG LYS A 124 21.998 6.950 -6.350 1.00 2.04 C ATOM 1977 CD LYS A 124 21.890 6.127 -7.624 1.00 2.45 C ATOM 1978 CE LYS A 124 23.135 6.250 -8.488 1.00 3.14 C ATOM 1979 NZ LYS A 124 23.350 7.639 -8.972 1.00 3.80 N ATOM 0 H LYS A 124 20.241 9.082 -5.581 1.00 1.28 H new ATOM 0 HA LYS A 124 19.382 6.847 -7.024 1.00 1.24 H new ATOM 0 HB2 LYS A 124 21.001 7.197 -4.475 1.00 1.43 H new ATOM 0 HB3 LYS A 124 20.755 5.629 -5.218 1.00 1.43 H new ATOM 0 HG2 LYS A 124 22.044 8.009 -6.602 1.00 2.04 H new ATOM 0 HG3 LYS A 124 22.926 6.705 -5.834 1.00 2.04 H new ATOM 0 HD2 LYS A 124 21.729 5.080 -7.367 1.00 2.45 H new ATOM 0 HD3 LYS A 124 21.020 6.453 -8.194 1.00 2.45 H new ATOM 0 HE2 LYS A 124 24.005 5.928 -7.916 1.00 3.14 H new ATOM 0 HE3 LYS A 124 23.049 5.579 -9.343 1.00 3.14 H new ATOM 0 HZ1 LYS A 124 24.160 7.658 -9.624 1.00 3.80 H new ATOM 0 HZ2 LYS A 124 22.498 7.969 -9.468 1.00 3.80 H new ATOM 0 HZ3 LYS A 124 23.543 8.263 -8.162 1.00 3.80 H new ATOM 1993 N HIS A 125 18.012 7.192 -4.071 1.00 0.96 N ATOM 1994 CA HIS A 125 17.004 6.678 -3.149 1.00 0.85 C ATOM 1995 C HIS A 125 15.645 6.566 -3.841 1.00 0.76 C ATOM 1996 O HIS A 125 14.989 5.522 -3.796 1.00 0.76 O ATOM 1997 CB HIS A 125 16.907 7.596 -1.927 1.00 0.85 C ATOM 1998 CG HIS A 125 18.247 8.008 -1.399 1.00 1.23 C ATOM 1999 ND1 HIS A 125 18.730 9.295 -1.498 1.00 1.80 N ATOM 2000 CD2 HIS A 125 19.222 7.289 -0.797 1.00 1.80 C ATOM 2001 CE1 HIS A 125 19.944 9.346 -0.988 1.00 2.14 C ATOM 2002 NE2 HIS A 125 20.270 8.143 -0.555 1.00 2.12 N ATOM 0 H HIS A 125 18.432 8.074 -3.777 1.00 0.96 H new ATOM 0 HA HIS A 125 17.301 5.681 -2.824 1.00 0.85 H new ATOM 0 HB2 HIS A 125 16.337 8.487 -2.192 1.00 0.85 H new ATOM 0 HB3 HIS A 125 16.353 7.086 -1.139 1.00 0.85 H new ATOM 0 HD1 HIS A 125 18.227 10.084 -1.903 1.00 1.80 H new ATOM 0 HD2 HIS A 125 19.183 6.238 -0.552 1.00 1.80 H new ATOM 0 HE1 HIS A 125 20.568 10.226 -0.934 1.00 2.14 H new ATOM 2011 N ALA A 126 15.238 7.637 -4.501 1.00 0.77 N ATOM 2012 CA ALA A 126 13.982 7.639 -5.234 1.00 0.80 C ATOM 2013 C ALA A 126 14.075 6.731 -6.454 1.00 0.86 C ATOM 2014 O ALA A 126 13.089 6.124 -6.867 1.00 0.92 O ATOM 2015 CB ALA A 126 13.609 9.052 -5.650 1.00 0.92 C ATOM 0 H ALA A 126 15.757 8.514 -4.545 1.00 0.77 H new ATOM 0 HA ALA A 126 13.200 7.256 -4.578 1.00 0.80 H new ATOM 0 HB1 ALA A 126 12.667 9.033 -6.197 1.00 0.92 H new ATOM 0 HB2 ALA A 126 13.501 9.676 -4.763 1.00 0.92 H new ATOM 0 HB3 ALA A 126 14.391 9.462 -6.289 1.00 0.92 H new ATOM 2021 N LYS A 127 15.275 6.625 -7.007 1.00 0.92 N ATOM 2022 CA LYS A 127 15.506 5.831 -8.203 1.00 1.05 C ATOM 2023 C LYS A 127 15.434 4.337 -7.888 1.00 0.97 C ATOM 2024 O LYS A 127 14.856 3.566 -8.648 1.00 1.04 O ATOM 2025 CB LYS A 127 16.866 6.190 -8.807 1.00 1.26 C ATOM 2026 CG LYS A 127 17.119 5.583 -10.175 1.00 1.55 C ATOM 2027 CD LYS A 127 18.463 6.025 -10.730 1.00 1.93 C ATOM 2028 CE LYS A 127 18.711 5.467 -12.122 1.00 2.38 C ATOM 2029 NZ LYS A 127 17.758 6.010 -13.127 1.00 2.83 N ATOM 0 H LYS A 127 16.110 7.084 -6.642 1.00 0.92 H new ATOM 0 HA LYS A 127 14.725 6.056 -8.929 1.00 1.05 H new ATOM 0 HB2 LYS A 127 16.942 7.275 -8.883 1.00 1.26 H new ATOM 0 HB3 LYS A 127 17.651 5.863 -8.126 1.00 1.26 H new ATOM 0 HG2 LYS A 127 17.091 4.496 -10.105 1.00 1.55 H new ATOM 0 HG3 LYS A 127 16.324 5.879 -10.860 1.00 1.55 H new ATOM 0 HD2 LYS A 127 18.502 7.114 -10.763 1.00 1.93 H new ATOM 0 HD3 LYS A 127 19.258 5.697 -10.060 1.00 1.93 H new ATOM 0 HE2 LYS A 127 19.731 5.701 -12.428 1.00 2.38 H new ATOM 0 HE3 LYS A 127 18.627 4.381 -12.096 1.00 2.38 H new ATOM 0 HZ1 LYS A 127 18.067 5.737 -14.082 1.00 2.83 H new ATOM 0 HZ2 LYS A 127 16.808 5.626 -12.948 1.00 2.83 H new ATOM 0 HZ3 LYS A 127 17.731 7.047 -13.055 1.00 2.83 H new ATOM 2043 N ARG A 128 16.007 3.936 -6.756 1.00 0.94 N ATOM 2044 CA ARG A 128 16.005 2.533 -6.352 1.00 1.00 C ATOM 2045 C ARG A 128 14.600 2.067 -5.977 1.00 0.97 C ATOM 2046 O ARG A 128 14.239 0.912 -6.209 1.00 1.09 O ATOM 2047 CB ARG A 128 16.990 2.287 -5.198 1.00 1.14 C ATOM 2048 CG ARG A 128 16.834 3.237 -4.022 1.00 1.11 C ATOM 2049 CD ARG A 128 17.887 2.999 -2.951 1.00 1.34 C ATOM 2050 NE ARG A 128 19.219 2.766 -3.518 1.00 1.59 N ATOM 2051 CZ ARG A 128 20.194 2.100 -2.891 1.00 1.95 C ATOM 2052 NH1 ARG A 128 20.018 1.668 -1.648 1.00 2.14 N ATOM 2053 NH2 ARG A 128 21.351 1.882 -3.507 1.00 2.59 N ATOM 0 H ARG A 128 16.478 4.562 -6.103 1.00 0.94 H new ATOM 0 HA ARG A 128 16.335 1.944 -7.207 1.00 1.00 H new ATOM 0 HB2 ARG A 128 16.864 1.265 -4.842 1.00 1.14 H new ATOM 0 HB3 ARG A 128 18.007 2.368 -5.582 1.00 1.14 H new ATOM 0 HG2 ARG A 128 16.903 4.266 -4.376 1.00 1.11 H new ATOM 0 HG3 ARG A 128 15.842 3.116 -3.588 1.00 1.11 H new ATOM 0 HD2 ARG A 128 17.925 3.861 -2.285 1.00 1.34 H new ATOM 0 HD3 ARG A 128 17.598 2.140 -2.345 1.00 1.34 H new ATOM 0 HE ARG A 128 19.414 3.135 -4.449 1.00 1.59 H new ATOM 0 HH11 ARG A 128 19.136 1.844 -1.167 1.00 2.14 H new ATOM 0 HH12 ARG A 128 20.765 1.160 -1.174 1.00 2.14 H new ATOM 0 HH21 ARG A 128 21.495 2.223 -4.458 1.00 2.59 H new ATOM 0 HH22 ARG A 128 22.095 1.374 -3.029 1.00 2.59 H new ATOM 2067 N VAL A 129 13.804 2.964 -5.406 1.00 0.91 N ATOM 2068 CA VAL A 129 12.402 2.661 -5.142 1.00 1.04 C ATOM 2069 C VAL A 129 11.620 2.594 -6.451 1.00 1.04 C ATOM 2070 O VAL A 129 10.848 1.659 -6.693 1.00 1.19 O ATOM 2071 CB VAL A 129 11.753 3.717 -4.224 1.00 1.16 C ATOM 2072 CG1 VAL A 129 10.264 3.441 -4.061 1.00 1.43 C ATOM 2073 CG2 VAL A 129 12.445 3.745 -2.871 1.00 1.48 C ATOM 0 H VAL A 129 14.101 3.897 -5.120 1.00 0.91 H new ATOM 0 HA VAL A 129 12.370 1.695 -4.637 1.00 1.04 H new ATOM 0 HB VAL A 129 11.870 4.696 -4.688 1.00 1.16 H new ATOM 0 HG11 VAL A 129 9.823 4.196 -3.410 1.00 1.43 H new ATOM 0 HG12 VAL A 129 9.779 3.475 -5.036 1.00 1.43 H new ATOM 0 HG13 VAL A 129 10.123 2.454 -3.620 1.00 1.43 H new ATOM 0 HG21 VAL A 129 11.974 4.496 -2.237 1.00 1.48 H new ATOM 0 HG22 VAL A 129 12.360 2.766 -2.399 1.00 1.48 H new ATOM 0 HG23 VAL A 129 13.498 3.993 -3.006 1.00 1.48 H new ATOM 2083 N ARG A 130 11.857 3.580 -7.306 1.00 0.99 N ATOM 2084 CA ARG A 130 11.168 3.685 -8.585 1.00 1.14 C ATOM 2085 C ARG A 130 11.592 2.562 -9.534 1.00 1.05 C ATOM 2086 O ARG A 130 10.939 2.313 -10.545 1.00 1.24 O ATOM 2087 CB ARG A 130 11.442 5.049 -9.227 1.00 1.30 C ATOM 2088 CG ARG A 130 10.554 5.339 -10.420 1.00 1.75 C ATOM 2089 CD ARG A 130 10.872 6.671 -11.068 1.00 1.86 C ATOM 2090 NE ARG A 130 9.972 6.942 -12.186 1.00 2.36 N ATOM 2091 CZ ARG A 130 10.351 7.500 -13.334 1.00 2.92 C ATOM 2092 NH1 ARG A 130 11.619 7.848 -13.523 1.00 3.04 N ATOM 2093 NH2 ARG A 130 9.457 7.704 -14.296 1.00 3.83 N ATOM 0 H ARG A 130 12.530 4.327 -7.133 1.00 0.99 H new ATOM 0 HA ARG A 130 10.098 3.588 -8.400 1.00 1.14 H new ATOM 0 HB2 ARG A 130 11.301 5.830 -8.479 1.00 1.30 H new ATOM 0 HB3 ARG A 130 12.485 5.092 -9.540 1.00 1.30 H new ATOM 0 HG2 ARG A 130 10.669 4.544 -11.156 1.00 1.75 H new ATOM 0 HG3 ARG A 130 9.511 5.332 -10.103 1.00 1.75 H new ATOM 0 HD2 ARG A 130 10.788 7.467 -10.329 1.00 1.86 H new ATOM 0 HD3 ARG A 130 11.904 6.670 -11.420 1.00 1.86 H new ATOM 0 HE ARG A 130 8.990 6.687 -12.081 1.00 2.36 H new ATOM 0 HH11 ARG A 130 12.307 7.688 -12.787 1.00 3.04 H new ATOM 0 HH12 ARG A 130 11.905 8.275 -14.404 1.00 3.04 H new ATOM 0 HH21 ARG A 130 8.484 7.433 -14.154 1.00 3.83 H new ATOM 0 HH22 ARG A 130 9.744 8.131 -15.177 1.00 3.83 H new ATOM 2107 N ASN A 131 12.690 1.887 -9.189 1.00 0.85 N ATOM 2108 CA ASN A 131 13.268 0.827 -10.021 1.00 0.88 C ATOM 2109 C ASN A 131 12.229 -0.229 -10.400 1.00 1.08 C ATOM 2110 O ASN A 131 12.349 -0.893 -11.429 1.00 1.24 O ATOM 2111 CB ASN A 131 14.438 0.157 -9.285 1.00 0.88 C ATOM 2112 CG ASN A 131 15.250 -0.755 -10.186 1.00 1.70 C ATOM 2113 OD1 ASN A 131 15.334 -0.541 -11.395 1.00 2.48 O ATOM 2114 ND2 ASN A 131 15.869 -1.770 -9.602 1.00 2.04 N ATOM 0 H ASN A 131 13.204 2.059 -8.325 1.00 0.85 H new ATOM 0 HA ASN A 131 13.627 1.291 -10.940 1.00 0.88 H new ATOM 0 HB2 ASN A 131 15.090 0.926 -8.871 1.00 0.88 H new ATOM 0 HB3 ASN A 131 14.051 -0.419 -8.445 1.00 0.88 H new ATOM 0 HD21 ASN A 131 16.440 -2.407 -10.158 1.00 2.04 H new ATOM 0 HD22 ASN A 131 15.775 -1.914 -8.597 1.00 2.04 H new ATOM 2121 N GLY A 132 11.209 -0.392 -9.569 1.00 1.23 N ATOM 2122 CA GLY A 132 10.185 -1.376 -9.863 1.00 1.61 C ATOM 2123 C GLY A 132 8.786 -0.901 -9.537 1.00 1.21 C ATOM 2124 O GLY A 132 7.847 -1.182 -10.281 1.00 1.24 O ATOM 0 H GLY A 132 11.072 0.133 -8.705 1.00 1.23 H new ATOM 0 HA2 GLY A 132 10.235 -1.637 -10.920 1.00 1.61 H new ATOM 0 HA3 GLY A 132 10.393 -2.286 -9.299 1.00 1.61 H new ATOM 2128 N MET A 133 8.640 -0.157 -8.449 1.00 1.24 N ATOM 2129 CA MET A 133 7.318 0.212 -7.961 1.00 1.38 C ATOM 2130 C MET A 133 6.670 1.271 -8.854 1.00 1.35 C ATOM 2131 O MET A 133 5.481 1.560 -8.724 1.00 1.56 O ATOM 2132 CB MET A 133 7.411 0.719 -6.526 1.00 2.06 C ATOM 2133 CG MET A 133 6.098 0.631 -5.775 1.00 2.92 C ATOM 2134 SD MET A 133 5.471 -1.059 -5.701 1.00 3.99 S ATOM 2135 CE MET A 133 4.065 -0.862 -4.610 1.00 4.83 C ATOM 0 H MET A 133 9.415 0.201 -7.891 1.00 1.24 H new ATOM 0 HA MET A 133 6.690 -0.678 -7.987 1.00 1.38 H new ATOM 0 HB2 MET A 133 8.167 0.143 -5.992 1.00 2.06 H new ATOM 0 HB3 MET A 133 7.748 1.756 -6.535 1.00 2.06 H new ATOM 0 HG2 MET A 133 6.234 1.012 -4.763 1.00 2.92 H new ATOM 0 HG3 MET A 133 5.360 1.270 -6.260 1.00 2.92 H new ATOM 0 HE1 MET A 133 3.445 -1.758 -4.650 1.00 4.83 H new ATOM 0 HE2 MET A 133 4.415 -0.708 -3.589 1.00 4.83 H new ATOM 0 HE3 MET A 133 3.478 0.000 -4.926 1.00 4.83 H new ATOM 2145 N ASP A 134 7.456 1.839 -9.765 1.00 1.38 N ATOM 2146 CA ASP A 134 6.965 2.863 -10.690 1.00 1.84 C ATOM 2147 C ASP A 134 5.871 2.310 -11.598 1.00 1.95 C ATOM 2148 O ASP A 134 4.962 3.028 -12.008 1.00 2.41 O ATOM 2149 CB ASP A 134 8.116 3.399 -11.539 1.00 2.05 C ATOM 2150 CG ASP A 134 7.685 4.500 -12.489 1.00 2.29 C ATOM 2151 OD1 ASP A 134 7.555 5.661 -12.046 1.00 2.83 O ATOM 2152 OD2 ASP A 134 7.498 4.215 -13.688 1.00 2.28 O ATOM 0 H ASP A 134 8.442 1.607 -9.884 1.00 1.38 H new ATOM 0 HA ASP A 134 6.541 3.674 -10.097 1.00 1.84 H new ATOM 0 HB2 ASP A 134 8.899 3.778 -10.883 1.00 2.05 H new ATOM 0 HB3 ASP A 134 8.550 2.580 -12.113 1.00 2.05 H new ATOM 2157 N LYS A 135 5.961 1.025 -11.909 1.00 1.70 N ATOM 2158 CA LYS A 135 4.954 0.373 -12.733 1.00 2.03 C ATOM 2159 C LYS A 135 4.025 -0.468 -11.872 1.00 1.70 C ATOM 2160 O LYS A 135 3.135 -1.153 -12.379 1.00 2.17 O ATOM 2161 CB LYS A 135 5.613 -0.503 -13.803 1.00 2.40 C ATOM 2162 CG LYS A 135 6.476 0.273 -14.788 1.00 3.08 C ATOM 2163 CD LYS A 135 5.711 1.427 -15.427 1.00 3.44 C ATOM 2164 CE LYS A 135 4.437 0.953 -16.109 1.00 3.61 C ATOM 2165 NZ LYS A 135 3.674 2.082 -16.697 1.00 4.15 N ATOM 0 H LYS A 135 6.719 0.415 -11.604 1.00 1.70 H new ATOM 0 HA LYS A 135 4.369 1.147 -13.229 1.00 2.03 H new ATOM 0 HB2 LYS A 135 6.227 -1.258 -13.313 1.00 2.40 H new ATOM 0 HB3 LYS A 135 4.836 -1.033 -14.354 1.00 2.40 H new ATOM 0 HG2 LYS A 135 7.355 0.661 -14.273 1.00 3.08 H new ATOM 0 HG3 LYS A 135 6.834 -0.401 -15.567 1.00 3.08 H new ATOM 0 HD2 LYS A 135 5.462 2.164 -14.664 1.00 3.44 H new ATOM 0 HD3 LYS A 135 6.349 1.926 -16.156 1.00 3.44 H new ATOM 0 HE2 LYS A 135 4.688 0.237 -16.892 1.00 3.61 H new ATOM 0 HE3 LYS A 135 3.811 0.429 -15.387 1.00 3.61 H new ATOM 0 HZ1 LYS A 135 2.813 1.719 -17.153 1.00 4.15 H new ATOM 0 HZ2 LYS A 135 3.412 2.752 -15.946 1.00 4.15 H new ATOM 0 HZ3 LYS A 135 4.262 2.567 -17.405 1.00 4.15 H new ATOM 2179 N GLY A 136 4.227 -0.393 -10.565 1.00 1.04 N ATOM 2180 CA GLY A 136 3.443 -1.184 -9.644 1.00 0.79 C ATOM 2181 C GLY A 136 2.433 -0.354 -8.884 1.00 0.65 C ATOM 2182 O GLY A 136 1.237 -0.532 -9.061 1.00 0.57 O ATOM 0 H GLY A 136 4.925 0.206 -10.125 1.00 1.04 H new ATOM 0 HA2 GLY A 136 2.924 -1.968 -10.194 1.00 0.79 H new ATOM 0 HA3 GLY A 136 4.109 -1.678 -8.936 1.00 0.79 H new ATOM 2186 N TRP A 137 2.920 0.582 -8.075 1.00 0.68 N ATOM 2187 CA TRP A 137 2.072 1.322 -7.137 1.00 0.67 C ATOM 2188 C TRP A 137 0.920 2.073 -7.830 1.00 0.57 C ATOM 2189 O TRP A 137 -0.234 1.918 -7.427 1.00 0.56 O ATOM 2190 CB TRP A 137 2.916 2.288 -6.300 1.00 0.81 C ATOM 2191 CG TRP A 137 2.244 2.717 -5.031 1.00 0.66 C ATOM 2192 CD1 TRP A 137 1.620 1.909 -4.125 1.00 1.62 C ATOM 2193 CD2 TRP A 137 2.144 4.050 -4.516 1.00 0.93 C ATOM 2194 NE1 TRP A 137 1.130 2.656 -3.083 1.00 1.62 N ATOM 2195 CE2 TRP A 137 1.440 3.973 -3.299 1.00 0.98 C ATOM 2196 CE3 TRP A 137 2.580 5.301 -4.964 1.00 2.10 C ATOM 2197 CZ2 TRP A 137 1.163 5.096 -2.528 1.00 1.47 C ATOM 2198 CZ3 TRP A 137 2.303 6.416 -4.197 1.00 2.78 C ATOM 2199 CH2 TRP A 137 1.600 6.308 -2.991 1.00 2.32 C ATOM 0 H TRP A 137 3.904 0.850 -8.048 1.00 0.68 H new ATOM 0 HA TRP A 137 1.612 0.583 -6.481 1.00 0.67 H new ATOM 0 HB2 TRP A 137 3.866 1.812 -6.057 1.00 0.81 H new ATOM 0 HB3 TRP A 137 3.145 3.170 -6.898 1.00 0.81 H new ATOM 0 HD1 TRP A 137 1.525 0.837 -4.215 1.00 1.62 H new ATOM 0 HE1 TRP A 137 0.619 2.291 -2.280 1.00 1.62 H new ATOM 0 HE3 TRP A 137 3.123 5.394 -5.893 1.00 2.10 H new ATOM 0 HZ2 TRP A 137 0.622 5.015 -1.597 1.00 1.47 H new ATOM 0 HZ3 TRP A 137 2.634 7.387 -4.533 1.00 2.78 H new ATOM 0 HH2 TRP A 137 1.398 7.199 -2.414 1.00 2.32 H new ATOM 2210 N PRO A 138 1.192 2.896 -8.871 1.00 0.58 N ATOM 2211 CA PRO A 138 0.128 3.610 -9.595 1.00 0.61 C ATOM 2212 C PRO A 138 -0.862 2.649 -10.245 1.00 0.58 C ATOM 2213 O PRO A 138 -2.070 2.893 -10.260 1.00 0.64 O ATOM 2214 CB PRO A 138 0.880 4.409 -10.664 1.00 0.68 C ATOM 2215 CG PRO A 138 2.203 3.738 -10.788 1.00 0.66 C ATOM 2216 CD PRO A 138 2.524 3.215 -9.420 1.00 0.63 C ATOM 0 HA PRO A 138 -0.467 4.235 -8.929 1.00 0.61 H new ATOM 0 HB2 PRO A 138 0.343 4.401 -11.613 1.00 0.68 H new ATOM 0 HB3 PRO A 138 0.993 5.453 -10.370 1.00 0.68 H new ATOM 0 HG2 PRO A 138 2.164 2.929 -11.517 1.00 0.66 H new ATOM 0 HG3 PRO A 138 2.966 4.438 -11.128 1.00 0.66 H new ATOM 0 HD2 PRO A 138 3.165 2.334 -9.464 1.00 0.63 H new ATOM 0 HD3 PRO A 138 3.044 3.958 -8.815 1.00 0.63 H new ATOM 2224 N THR A 139 -0.336 1.550 -10.767 1.00 0.57 N ATOM 2225 CA THR A 139 -1.155 0.513 -11.368 1.00 0.62 C ATOM 2226 C THR A 139 -1.993 -0.164 -10.288 1.00 0.54 C ATOM 2227 O THR A 139 -3.160 -0.508 -10.499 1.00 0.55 O ATOM 2228 CB THR A 139 -0.264 -0.529 -12.070 1.00 0.72 C ATOM 2229 OG1 THR A 139 0.683 0.139 -12.918 1.00 0.81 O ATOM 2230 CG2 THR A 139 -1.092 -1.499 -12.897 1.00 0.87 C ATOM 0 H THR A 139 0.665 1.355 -10.785 1.00 0.57 H new ATOM 0 HA THR A 139 -1.815 0.964 -12.109 1.00 0.62 H new ATOM 0 HB THR A 139 0.260 -1.098 -11.302 1.00 0.72 H new ATOM 0 HG1 THR A 139 1.572 -0.253 -12.789 1.00 0.81 H new ATOM 0 HG21 THR A 139 -0.433 -2.221 -13.379 1.00 0.87 H new ATOM 0 HG22 THR A 139 -1.793 -2.024 -12.248 1.00 0.87 H new ATOM 0 HG23 THR A 139 -1.645 -0.948 -13.658 1.00 0.87 H new ATOM 2238 N ILE A 140 -1.379 -0.320 -9.119 1.00 0.50 N ATOM 2239 CA ILE A 140 -2.029 -0.909 -7.964 1.00 0.47 C ATOM 2240 C ILE A 140 -3.282 -0.148 -7.595 1.00 0.42 C ATOM 2241 O ILE A 140 -4.337 -0.748 -7.450 1.00 0.44 O ATOM 2242 CB ILE A 140 -1.077 -0.975 -6.746 1.00 0.51 C ATOM 2243 CG1 ILE A 140 -0.080 -2.127 -6.915 1.00 0.54 C ATOM 2244 CG2 ILE A 140 -1.854 -1.121 -5.447 1.00 0.54 C ATOM 2245 CD1 ILE A 140 0.858 -2.307 -5.741 1.00 0.72 C ATOM 0 H ILE A 140 -0.413 -0.039 -8.951 1.00 0.50 H new ATOM 0 HA ILE A 140 -2.304 -1.927 -8.240 1.00 0.47 H new ATOM 0 HB ILE A 140 -0.523 -0.038 -6.696 1.00 0.51 H new ATOM 0 HG12 ILE A 140 -0.634 -3.053 -7.070 1.00 0.54 H new ATOM 0 HG13 ILE A 140 0.510 -1.954 -7.815 1.00 0.54 H new ATOM 0 HG21 ILE A 140 -1.158 -1.165 -4.609 1.00 0.54 H new ATOM 0 HG22 ILE A 140 -2.518 -0.266 -5.322 1.00 0.54 H new ATOM 0 HG23 ILE A 140 -2.444 -2.037 -5.477 1.00 0.54 H new ATOM 0 HD11 ILE A 140 1.531 -3.141 -5.938 1.00 0.72 H new ATOM 0 HD12 ILE A 140 1.440 -1.397 -5.598 1.00 0.72 H new ATOM 0 HD13 ILE A 140 0.279 -2.513 -4.841 1.00 0.72 H new ATOM 2257 N LEU A 141 -3.166 1.166 -7.466 1.00 0.39 N ATOM 2258 CA LEU A 141 -4.298 1.989 -7.071 1.00 0.36 C ATOM 2259 C LEU A 141 -5.470 1.816 -8.035 1.00 0.38 C ATOM 2260 O LEU A 141 -6.608 1.686 -7.611 1.00 0.42 O ATOM 2261 CB LEU A 141 -3.897 3.463 -6.976 1.00 0.38 C ATOM 2262 CG LEU A 141 -2.852 3.788 -5.903 1.00 0.43 C ATOM 2263 CD1 LEU A 141 -2.588 5.288 -5.859 1.00 0.69 C ATOM 2264 CD2 LEU A 141 -3.307 3.278 -4.538 1.00 0.56 C ATOM 0 H LEU A 141 -2.302 1.683 -7.629 1.00 0.39 H new ATOM 0 HA LEU A 141 -4.619 1.656 -6.084 1.00 0.36 H new ATOM 0 HB2 LEU A 141 -3.511 3.781 -7.944 1.00 0.38 H new ATOM 0 HB3 LEU A 141 -4.791 4.054 -6.780 1.00 0.38 H new ATOM 0 HG LEU A 141 -1.921 3.282 -6.160 1.00 0.43 H new ATOM 0 HD11 LEU A 141 -1.844 5.504 -5.092 1.00 0.69 H new ATOM 0 HD12 LEU A 141 -2.217 5.621 -6.829 1.00 0.69 H new ATOM 0 HD13 LEU A 141 -3.514 5.814 -5.624 1.00 0.69 H new ATOM 0 HD21 LEU A 141 -2.552 3.518 -3.790 1.00 0.56 H new ATOM 0 HD22 LEU A 141 -4.250 3.753 -4.268 1.00 0.56 H new ATOM 0 HD23 LEU A 141 -3.445 2.198 -4.581 1.00 0.56 H new ATOM 2276 N GLN A 142 -5.189 1.766 -9.326 1.00 0.43 N ATOM 2277 CA GLN A 142 -6.253 1.638 -10.319 1.00 0.48 C ATOM 2278 C GLN A 142 -7.036 0.341 -10.114 1.00 0.47 C ATOM 2279 O GLN A 142 -8.268 0.348 -10.010 1.00 0.48 O ATOM 2280 CB GLN A 142 -5.678 1.696 -11.735 1.00 0.58 C ATOM 2281 CG GLN A 142 -5.023 3.025 -12.077 1.00 0.88 C ATOM 2282 CD GLN A 142 -5.974 4.194 -11.908 1.00 0.78 C ATOM 2283 OE1 GLN A 142 -6.711 4.549 -12.826 1.00 1.49 O ATOM 2284 NE2 GLN A 142 -5.955 4.805 -10.739 1.00 0.77 N ATOM 0 H GLN A 142 -4.246 1.811 -9.712 1.00 0.43 H new ATOM 0 HA GLN A 142 -6.939 2.475 -10.189 1.00 0.48 H new ATOM 0 HB2 GLN A 142 -4.944 0.899 -11.852 1.00 0.58 H new ATOM 0 HB3 GLN A 142 -6.477 1.501 -12.450 1.00 0.58 H new ATOM 0 HG2 GLN A 142 -4.151 3.173 -11.439 1.00 0.88 H new ATOM 0 HG3 GLN A 142 -4.664 2.997 -13.106 1.00 0.88 H new ATOM 0 HE21 GLN A 142 -5.328 4.479 -10.003 1.00 0.77 H new ATOM 0 HE22 GLN A 142 -6.567 5.604 -10.571 1.00 0.77 H new ATOM 2293 N SER A 143 -6.319 -0.767 -10.032 1.00 0.49 N ATOM 2294 CA SER A 143 -6.941 -2.060 -9.798 1.00 0.53 C ATOM 2295 C SER A 143 -7.453 -2.169 -8.359 1.00 0.45 C ATOM 2296 O SER A 143 -8.317 -2.994 -8.054 1.00 0.46 O ATOM 2297 CB SER A 143 -5.956 -3.175 -10.110 1.00 0.64 C ATOM 2298 OG SER A 143 -5.486 -3.080 -11.442 1.00 1.15 O ATOM 0 H SER A 143 -5.304 -0.797 -10.124 1.00 0.49 H new ATOM 0 HA SER A 143 -7.800 -2.158 -10.462 1.00 0.53 H new ATOM 0 HB2 SER A 143 -5.114 -3.125 -9.419 1.00 0.64 H new ATOM 0 HB3 SER A 143 -6.436 -4.142 -9.958 1.00 0.64 H new ATOM 0 HG SER A 143 -4.853 -3.807 -11.618 1.00 1.15 H new ATOM 2304 N PHE A 144 -6.893 -1.344 -7.477 1.00 0.40 N ATOM 2305 CA PHE A 144 -7.329 -1.275 -6.092 1.00 0.36 C ATOM 2306 C PHE A 144 -8.777 -0.796 -6.044 1.00 0.32 C ATOM 2307 O PHE A 144 -9.642 -1.453 -5.457 1.00 0.34 O ATOM 2308 CB PHE A 144 -6.412 -0.332 -5.299 1.00 0.35 C ATOM 2309 CG PHE A 144 -6.872 -0.032 -3.902 1.00 0.39 C ATOM 2310 CD1 PHE A 144 -6.861 -1.012 -2.929 1.00 0.62 C ATOM 2311 CD2 PHE A 144 -7.300 1.243 -3.561 1.00 0.51 C ATOM 2312 CE1 PHE A 144 -7.271 -0.729 -1.642 1.00 0.80 C ATOM 2313 CE2 PHE A 144 -7.713 1.530 -2.277 1.00 0.68 C ATOM 2314 CZ PHE A 144 -7.697 0.543 -1.316 1.00 0.78 C ATOM 0 H PHE A 144 -6.128 -0.709 -7.705 1.00 0.40 H new ATOM 0 HA PHE A 144 -7.271 -2.264 -5.637 1.00 0.36 H new ATOM 0 HB2 PHE A 144 -5.416 -0.772 -5.252 1.00 0.35 H new ATOM 0 HB3 PHE A 144 -6.320 0.607 -5.845 1.00 0.35 H new ATOM 0 HD1 PHE A 144 -6.528 -2.009 -3.178 1.00 0.62 H new ATOM 0 HD2 PHE A 144 -7.310 2.020 -4.311 1.00 0.51 H new ATOM 0 HE1 PHE A 144 -7.259 -1.503 -0.889 1.00 0.80 H new ATOM 0 HE2 PHE A 144 -8.048 2.525 -2.026 1.00 0.68 H new ATOM 0 HZ PHE A 144 -8.017 0.764 -0.309 1.00 0.78 H new ATOM 2324 N GLN A 145 -9.037 0.339 -6.697 1.00 0.29 N ATOM 2325 CA GLN A 145 -10.401 0.838 -6.855 1.00 0.31 C ATOM 2326 C GLN A 145 -11.261 -0.183 -7.586 1.00 0.35 C ATOM 2327 O GLN A 145 -12.455 -0.275 -7.344 1.00 0.42 O ATOM 2328 CB GLN A 145 -10.439 2.152 -7.639 1.00 0.33 C ATOM 2329 CG GLN A 145 -10.068 3.377 -6.829 1.00 0.41 C ATOM 2330 CD GLN A 145 -8.583 3.617 -6.769 1.00 0.74 C ATOM 2331 OE1 GLN A 145 -7.912 3.177 -5.843 1.00 1.63 O ATOM 2332 NE2 GLN A 145 -8.056 4.306 -7.769 1.00 0.66 N ATOM 0 H GLN A 145 -8.321 0.927 -7.123 1.00 0.29 H new ATOM 0 HA GLN A 145 -10.791 1.013 -5.852 1.00 0.31 H new ATOM 0 HB2 GLN A 145 -9.760 2.074 -8.488 1.00 0.33 H new ATOM 0 HB3 GLN A 145 -11.441 2.290 -8.044 1.00 0.33 H new ATOM 0 HG2 GLN A 145 -10.554 4.252 -7.261 1.00 0.41 H new ATOM 0 HG3 GLN A 145 -10.453 3.266 -5.816 1.00 0.41 H new ATOM 0 HE21 GLN A 145 -8.653 4.653 -8.519 1.00 0.66 H new ATOM 0 HE22 GLN A 145 -7.053 4.489 -7.789 1.00 0.66 H new ATOM 2341 N ASP A 146 -10.640 -0.940 -8.485 1.00 0.36 N ATOM 2342 CA ASP A 146 -11.363 -1.920 -9.297 1.00 0.43 C ATOM 2343 C ASP A 146 -11.930 -3.061 -8.450 1.00 0.40 C ATOM 2344 O ASP A 146 -13.051 -3.515 -8.687 1.00 0.44 O ATOM 2345 CB ASP A 146 -10.466 -2.488 -10.395 1.00 0.55 C ATOM 2346 CG ASP A 146 -11.218 -3.453 -11.284 1.00 0.91 C ATOM 2347 OD1 ASP A 146 -11.885 -2.991 -12.232 1.00 1.04 O ATOM 2348 OD2 ASP A 146 -11.172 -4.672 -11.024 1.00 1.46 O ATOM 0 H ASP A 146 -9.638 -0.896 -8.672 1.00 0.36 H new ATOM 0 HA ASP A 146 -12.199 -1.393 -9.755 1.00 0.43 H new ATOM 0 HB2 ASP A 146 -10.067 -1.672 -10.998 1.00 0.55 H new ATOM 0 HB3 ASP A 146 -9.614 -2.997 -9.943 1.00 0.55 H new ATOM 2353 N LYS A 147 -11.161 -3.532 -7.470 1.00 0.42 N ATOM 2354 CA LYS A 147 -11.653 -4.564 -6.558 1.00 0.51 C ATOM 2355 C LYS A 147 -12.737 -3.985 -5.652 1.00 0.48 C ATOM 2356 O LYS A 147 -13.748 -4.630 -5.380 1.00 0.58 O ATOM 2357 CB LYS A 147 -10.504 -5.170 -5.729 1.00 0.64 C ATOM 2358 CG LYS A 147 -10.957 -6.117 -4.614 1.00 0.92 C ATOM 2359 CD LYS A 147 -11.875 -7.227 -5.122 1.00 1.03 C ATOM 2360 CE LYS A 147 -11.139 -8.259 -5.964 1.00 1.25 C ATOM 2361 NZ LYS A 147 -10.140 -9.019 -5.169 1.00 1.74 N ATOM 0 H LYS A 147 -10.207 -3.221 -7.288 1.00 0.42 H new ATOM 0 HA LYS A 147 -12.087 -5.370 -7.150 1.00 0.51 H new ATOM 0 HB2 LYS A 147 -9.836 -5.711 -6.399 1.00 0.64 H new ATOM 0 HB3 LYS A 147 -9.925 -4.359 -5.287 1.00 0.64 H new ATOM 0 HG2 LYS A 147 -10.081 -6.563 -4.143 1.00 0.92 H new ATOM 0 HG3 LYS A 147 -11.476 -5.545 -3.845 1.00 0.92 H new ATOM 0 HD2 LYS A 147 -12.342 -7.724 -4.272 1.00 1.03 H new ATOM 0 HD3 LYS A 147 -12.677 -6.787 -5.714 1.00 1.03 H new ATOM 0 HE2 LYS A 147 -11.859 -8.952 -6.398 1.00 1.25 H new ATOM 0 HE3 LYS A 147 -10.638 -7.759 -6.793 1.00 1.25 H new ATOM 0 HZ1 LYS A 147 -9.189 -8.849 -5.553 1.00 1.74 H new ATOM 0 HZ2 LYS A 147 -10.175 -8.706 -4.178 1.00 1.74 H new ATOM 0 HZ3 LYS A 147 -10.357 -10.035 -5.219 1.00 1.74 H new ATOM 2375 N ILE A 148 -12.530 -2.753 -5.217 1.00 0.39 N ATOM 2376 CA ILE A 148 -13.525 -2.039 -4.432 1.00 0.40 C ATOM 2377 C ILE A 148 -14.771 -1.769 -5.273 1.00 0.42 C ATOM 2378 O ILE A 148 -15.888 -1.701 -4.763 1.00 0.50 O ATOM 2379 CB ILE A 148 -12.949 -0.703 -3.934 1.00 0.35 C ATOM 2380 CG1 ILE A 148 -11.799 -0.959 -2.958 1.00 0.38 C ATOM 2381 CG2 ILE A 148 -14.035 0.142 -3.291 1.00 0.46 C ATOM 2382 CD1 ILE A 148 -11.089 0.298 -2.513 1.00 0.37 C ATOM 0 H ILE A 148 -11.677 -2.223 -5.395 1.00 0.39 H new ATOM 0 HA ILE A 148 -13.796 -2.658 -3.577 1.00 0.40 H new ATOM 0 HB ILE A 148 -12.558 -0.148 -4.787 1.00 0.35 H new ATOM 0 HG12 ILE A 148 -12.187 -1.476 -2.081 1.00 0.38 H new ATOM 0 HG13 ILE A 148 -11.077 -1.627 -3.428 1.00 0.38 H new ATOM 0 HG21 ILE A 148 -13.607 1.083 -2.945 1.00 0.46 H new ATOM 0 HG22 ILE A 148 -14.818 0.346 -4.022 1.00 0.46 H new ATOM 0 HG23 ILE A 148 -14.461 -0.396 -2.444 1.00 0.46 H new ATOM 0 HD11 ILE A 148 -10.287 0.038 -1.823 1.00 0.37 H new ATOM 0 HD12 ILE A 148 -10.670 0.806 -3.382 1.00 0.37 H new ATOM 0 HD13 ILE A 148 -11.797 0.958 -2.013 1.00 0.37 H new ATOM 2394 N ASP A 149 -14.565 -1.630 -6.572 1.00 0.41 N ATOM 2395 CA ASP A 149 -15.642 -1.347 -7.510 1.00 0.49 C ATOM 2396 C ASP A 149 -16.624 -2.508 -7.548 1.00 0.55 C ATOM 2397 O ASP A 149 -17.799 -2.336 -7.856 1.00 0.64 O ATOM 2398 CB ASP A 149 -15.056 -1.098 -8.898 1.00 0.54 C ATOM 2399 CG ASP A 149 -16.006 -0.372 -9.827 1.00 0.65 C ATOM 2400 OD1 ASP A 149 -16.649 0.600 -9.382 1.00 0.85 O ATOM 2401 OD2 ASP A 149 -16.139 -0.786 -10.998 1.00 0.77 O ATOM 0 H ASP A 149 -13.646 -1.710 -7.008 1.00 0.41 H new ATOM 0 HA ASP A 149 -16.178 -0.455 -7.185 1.00 0.49 H new ATOM 0 HB2 ASP A 149 -14.140 -0.516 -8.799 1.00 0.54 H new ATOM 0 HB3 ASP A 149 -14.780 -2.053 -9.345 1.00 0.54 H new ATOM 2406 N GLU A 150 -16.132 -3.692 -7.205 1.00 0.57 N ATOM 2407 CA GLU A 150 -16.971 -4.876 -7.107 1.00 0.68 C ATOM 2408 C GLU A 150 -17.875 -4.774 -5.882 1.00 0.75 C ATOM 2409 O GLU A 150 -18.995 -5.291 -5.869 1.00 0.89 O ATOM 2410 CB GLU A 150 -16.105 -6.134 -7.012 1.00 0.76 C ATOM 2411 CG GLU A 150 -15.239 -6.381 -8.235 1.00 0.78 C ATOM 2412 CD GLU A 150 -16.038 -6.735 -9.474 1.00 1.10 C ATOM 2413 OE1 GLU A 150 -15.440 -6.941 -10.552 1.00 1.45 O ATOM 2414 OE2 GLU A 150 -17.278 -6.807 -9.370 1.00 1.50 O ATOM 0 H GLU A 150 -15.149 -3.856 -6.989 1.00 0.57 H new ATOM 0 HA GLU A 150 -17.589 -4.942 -8.002 1.00 0.68 H new ATOM 0 HB2 GLU A 150 -15.463 -6.055 -6.135 1.00 0.76 H new ATOM 0 HB3 GLU A 150 -16.752 -6.997 -6.857 1.00 0.76 H new ATOM 0 HG2 GLU A 150 -14.645 -5.490 -8.437 1.00 0.78 H new ATOM 0 HG3 GLU A 150 -14.539 -7.189 -8.019 1.00 0.78 H new ATOM 2421 N GLU A 151 -17.375 -4.101 -4.856 1.00 0.72 N ATOM 2422 CA GLU A 151 -18.135 -3.873 -3.636 1.00 0.84 C ATOM 2423 C GLU A 151 -19.131 -2.740 -3.850 1.00 0.88 C ATOM 2424 O GLU A 151 -20.227 -2.738 -3.284 1.00 1.06 O ATOM 2425 CB GLU A 151 -17.188 -3.536 -2.484 1.00 0.86 C ATOM 2426 CG GLU A 151 -16.171 -4.626 -2.196 1.00 0.95 C ATOM 2427 CD GLU A 151 -16.817 -5.908 -1.713 1.00 1.39 C ATOM 2428 OE1 GLU A 151 -16.943 -6.855 -2.518 1.00 1.74 O ATOM 2429 OE2 GLU A 151 -17.217 -5.970 -0.530 1.00 1.63 O ATOM 0 H GLU A 151 -16.437 -3.700 -4.845 1.00 0.72 H new ATOM 0 HA GLU A 151 -18.683 -4.780 -3.383 1.00 0.84 H new ATOM 0 HB2 GLU A 151 -16.661 -2.611 -2.717 1.00 0.86 H new ATOM 0 HB3 GLU A 151 -17.775 -3.351 -1.584 1.00 0.86 H new ATOM 0 HG2 GLU A 151 -15.596 -4.830 -3.099 1.00 0.95 H new ATOM 0 HG3 GLU A 151 -15.467 -4.272 -1.443 1.00 0.95 H new ATOM 2436 N GLY A 152 -18.745 -1.783 -4.685 1.00 0.84 N ATOM 2437 CA GLY A 152 -19.630 -0.690 -5.034 1.00 0.96 C ATOM 2438 C GLY A 152 -20.483 -1.018 -6.236 1.00 1.04 C ATOM 2439 O GLY A 152 -20.963 -0.118 -6.931 1.00 1.32 O ATOM 0 H GLY A 152 -17.828 -1.746 -5.129 1.00 0.84 H new ATOM 0 HA2 GLY A 152 -20.273 -0.458 -4.185 1.00 0.96 H new ATOM 0 HA3 GLY A 152 -19.040 0.203 -5.240 1.00 0.96 H new ATOM 2443 N ALA A 153 -20.653 -2.318 -6.476 1.00 1.14 N ATOM 2444 CA ALA A 153 -21.489 -2.824 -7.554 1.00 1.47 C ATOM 2445 C ALA A 153 -20.948 -2.428 -8.920 1.00 1.29 C ATOM 2446 O ALA A 153 -21.364 -1.421 -9.503 1.00 1.70 O ATOM 2447 CB ALA A 153 -22.929 -2.358 -7.388 1.00 1.92 C ATOM 0 H ALA A 153 -20.210 -3.051 -5.922 1.00 1.14 H new ATOM 0 HA ALA A 153 -21.470 -3.912 -7.497 1.00 1.47 H new ATOM 0 HB1 ALA A 153 -23.534 -2.749 -8.206 1.00 1.92 H new ATOM 0 HB2 ALA A 153 -23.322 -2.722 -6.439 1.00 1.92 H new ATOM 0 HB3 ALA A 153 -22.963 -1.269 -7.400 1.00 1.92 H new ATOM 2453 N LYS A 154 -20.017 -3.224 -9.429 1.00 1.09 N ATOM 2454 CA LYS A 154 -19.460 -2.990 -10.749 1.00 1.02 C ATOM 2455 C LYS A 154 -20.424 -3.522 -11.794 1.00 1.38 C ATOM 2456 O LYS A 154 -20.157 -4.512 -12.478 1.00 2.04 O ATOM 2457 CB LYS A 154 -18.093 -3.657 -10.896 1.00 0.91 C ATOM 2458 CG LYS A 154 -17.388 -3.318 -12.200 1.00 1.02 C ATOM 2459 CD LYS A 154 -16.147 -4.164 -12.382 1.00 0.95 C ATOM 2460 CE LYS A 154 -15.048 -3.789 -11.398 1.00 0.73 C ATOM 2461 NZ LYS A 154 -13.996 -4.836 -11.331 1.00 1.32 N ATOM 0 H LYS A 154 -19.634 -4.036 -8.946 1.00 1.09 H new ATOM 0 HA LYS A 154 -19.320 -1.918 -10.890 1.00 1.02 H new ATOM 0 HB2 LYS A 154 -17.460 -3.356 -10.061 1.00 0.91 H new ATOM 0 HB3 LYS A 154 -18.216 -4.738 -10.830 1.00 0.91 H new ATOM 0 HG2 LYS A 154 -18.067 -3.478 -13.037 1.00 1.02 H new ATOM 0 HG3 LYS A 154 -17.117 -2.262 -12.207 1.00 1.02 H new ATOM 0 HD2 LYS A 154 -16.404 -5.216 -12.254 1.00 0.95 H new ATOM 0 HD3 LYS A 154 -15.776 -4.048 -13.400 1.00 0.95 H new ATOM 0 HE2 LYS A 154 -14.600 -2.841 -11.695 1.00 0.73 H new ATOM 0 HE3 LYS A 154 -15.480 -3.642 -10.408 1.00 0.73 H new ATOM 0 HZ1 LYS A 154 -13.386 -4.663 -10.506 1.00 1.32 H new ATOM 0 HZ2 LYS A 154 -14.442 -5.771 -11.242 1.00 1.32 H new ATOM 0 HZ3 LYS A 154 -13.422 -4.808 -12.198 1.00 1.32 H new ATOM 2475 N LYS A 155 -21.570 -2.879 -11.860 1.00 1.82 N ATOM 2476 CA LYS A 155 -22.629 -3.273 -12.758 1.00 2.44 C ATOM 2477 C LYS A 155 -23.241 -2.022 -13.363 1.00 3.14 C ATOM 2478 O LYS A 155 -22.796 -1.606 -14.447 1.00 3.71 O ATOM 2479 CB LYS A 155 -23.697 -4.075 -12.002 1.00 2.82 C ATOM 2480 CG LYS A 155 -23.164 -5.344 -11.350 1.00 2.95 C ATOM 2481 CD LYS A 155 -24.169 -5.976 -10.391 1.00 3.46 C ATOM 2482 CE LYS A 155 -24.396 -5.126 -9.142 1.00 3.45 C ATOM 2483 NZ LYS A 155 -25.378 -4.032 -9.370 1.00 4.22 N ATOM 2484 OXT LYS A 155 -24.117 -1.423 -12.710 1.00 3.60 O ATOM 0 H LYS A 155 -21.792 -2.064 -11.288 1.00 1.82 H new ATOM 0 HA LYS A 155 -22.226 -3.907 -13.548 1.00 2.44 H new ATOM 0 HB2 LYS A 155 -24.139 -3.440 -11.234 1.00 2.82 H new ATOM 0 HB3 LYS A 155 -24.496 -4.341 -12.694 1.00 2.82 H new ATOM 0 HG2 LYS A 155 -22.904 -6.065 -12.125 1.00 2.95 H new ATOM 0 HG3 LYS A 155 -22.247 -5.113 -10.809 1.00 2.95 H new ATOM 0 HD2 LYS A 155 -25.118 -6.120 -10.907 1.00 3.46 H new ATOM 0 HD3 LYS A 155 -23.814 -6.963 -10.096 1.00 3.46 H new ATOM 0 HE2 LYS A 155 -24.749 -5.764 -8.331 1.00 3.45 H new ATOM 0 HE3 LYS A 155 -23.447 -4.697 -8.820 1.00 3.45 H new ATOM 0 HZ1 LYS A 155 -25.935 -3.880 -8.505 1.00 4.22 H new ATOM 0 HZ2 LYS A 155 -24.872 -3.157 -9.615 1.00 4.22 H new ATOM 0 HZ3 LYS A 155 -26.014 -4.294 -10.150 1.00 4.22 H new TER 2498 LYS A 155