USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 796 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 67 THR OG1 : rot -23:sc= 0.593 USER MOD Set 1.2: A 72 TYR OH : rot 120:sc= 0 USER MOD Set 2.1: A 19 THR OG1 : rot -62:sc= 0.957 USER MOD Set 2.2: A 62 THR OG1 : rot 180:sc= 0.824 USER MOD Set 3.1: A 12 ASN :FLIP amide:sc= -0.139 F(o=0.63,f=1.2) USER MOD Set 3.2: A 14 THR OG1 : rot 82:sc= 1.26 USER MOD Set 3.3: A 17 THR OG1 : rot 46:sc= 0.0823 USER MOD Single : A 0 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 0 SER OG : rot -139:sc= 0.469 USER MOD Single : A 7 LYS NZ :NH3+ 161:sc= -0.0402 (180deg=-0.291) USER MOD Single : A 16 HIS : no HE2:sc= 0.119 K(o=0.12,f=-1.1) USER MOD Single : A 21 LYS NZ :NH3+ -131:sc= -0.31 (180deg=-2.84!) USER MOD Single : A 24 LYS NZ :NH3+ 167:sc= 1.19 (180deg=0.9) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -36:sc= 0.461 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -89:sc= 0.981 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.29 K(o=-1.3,f=-7.6!) USER MOD Single : A 54 SER OG : rot 80:sc= 1.23 USER MOD Single : A 55 ASN : amide:sc= -0.0286 X(o=-0.029,f=-0.029) USER MOD Single : A 59 ASN : amide:sc= 0.39! C(o=0.39!,f=-5.3!) USER MOD Single : A 64 SER OG : rot 180:sc= 0.011 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -6.65! C(o=-6.6!,f=-10!) USER MOD Single : A 86 SER OG : rot 55:sc= -0.0802 USER MOD Single : A 89 SER OG : rot -28:sc= -1.95! USER MOD Single : A 92 SER OG : rot -101:sc= -1.75! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 67:sc= 0.372 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -24.249 -4.655 -5.081 1.00 2.05 N ATOM 2 CA SER A 0 -23.281 -3.639 -4.591 1.00 1.55 C ATOM 3 C SER A 0 -21.947 -3.746 -5.327 1.00 1.39 C ATOM 4 O SER A 0 -21.107 -4.579 -4.988 1.00 1.50 O ATOM 5 CB SER A 0 -23.075 -3.853 -3.088 1.00 2.08 C ATOM 6 OG SER A 0 -23.413 -2.688 -2.355 1.00 2.74 O ATOM 0 H1 SER A 0 -25.146 -4.558 -4.563 1.00 2.05 H new ATOM 0 H2 SER A 0 -24.419 -4.511 -6.097 1.00 2.05 H new ATOM 0 H3 SER A 0 -23.861 -5.607 -4.926 1.00 2.05 H new ATOM 0 HA SER A 0 -23.679 -2.642 -4.780 1.00 1.55 H new ATOM 0 HB2 SER A 0 -23.687 -4.689 -2.750 1.00 2.08 H new ATOM 0 HB3 SER A 0 -22.036 -4.119 -2.895 1.00 2.08 H new ATOM 0 HG SER A 0 -22.760 -2.552 -1.637 1.00 2.74 H new ATOM 12 N PRO A 1 -21.733 -2.900 -6.349 1.00 1.23 N ATOM 13 CA PRO A 1 -20.495 -2.904 -7.131 1.00 1.19 C ATOM 14 C PRO A 1 -19.352 -2.207 -6.401 1.00 1.24 C ATOM 15 O PRO A 1 -18.902 -1.137 -6.813 1.00 2.06 O ATOM 16 CB PRO A 1 -20.882 -2.126 -8.387 1.00 1.18 C ATOM 17 CG PRO A 1 -21.922 -1.168 -7.923 1.00 1.26 C ATOM 18 CD PRO A 1 -22.681 -1.871 -6.825 1.00 1.24 C ATOM 0 HA PRO A 1 -20.132 -3.912 -7.329 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -20.024 -1.606 -8.812 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -21.269 -2.788 -9.161 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -21.468 -0.248 -7.555 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -22.588 -0.890 -8.740 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -22.960 -1.183 -6.027 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -23.603 -2.317 -7.198 1.00 1.24 H new ATOM 26 N ILE A 2 -18.890 -2.815 -5.312 1.00 0.68 N ATOM 27 CA ILE A 2 -17.803 -2.245 -4.528 1.00 0.61 C ATOM 28 C ILE A 2 -16.599 -1.926 -5.407 1.00 0.57 C ATOM 29 O ILE A 2 -16.273 -2.677 -6.327 1.00 0.63 O ATOM 30 CB ILE A 2 -17.356 -3.197 -3.397 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.212 -2.573 -2.584 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.931 -4.537 -3.977 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.526 -3.543 -1.638 1.00 0.56 C ATOM 0 H ILE A 2 -19.251 -3.699 -4.955 1.00 0.68 H new ATOM 0 HA ILE A 2 -18.187 -1.325 -4.087 1.00 0.61 H new ATOM 0 HB ILE A 2 -18.200 -3.359 -2.726 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.471 -2.167 -3.272 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.605 -1.735 -2.007 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.618 -5.200 -3.170 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.770 -4.985 -4.510 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -16.100 -4.388 -4.667 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.731 -3.026 -1.101 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.253 -3.931 -0.924 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -15.101 -4.369 -2.209 1.00 0.56 H new ATOM 45 N ASP A 3 -15.940 -0.811 -5.114 1.00 0.55 N ATOM 46 CA ASP A 3 -14.767 -0.393 -5.873 1.00 0.54 C ATOM 47 C ASP A 3 -13.583 -0.161 -4.935 1.00 0.47 C ATOM 48 O ASP A 3 -13.723 0.495 -3.903 1.00 0.49 O ATOM 49 CB ASP A 3 -15.067 0.882 -6.663 1.00 0.61 C ATOM 50 CG ASP A 3 -14.805 0.716 -8.147 1.00 1.15 C ATOM 51 OD1 ASP A 3 -14.893 -0.426 -8.644 1.00 2.00 O ATOM 52 OD2 ASP A 3 -14.513 1.730 -8.815 1.00 1.64 O ATOM 0 H ASP A 3 -16.198 -0.180 -4.356 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.511 -1.187 -6.575 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -16.108 1.165 -6.510 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -14.455 1.698 -6.278 1.00 0.61 H new ATOM 57 N PRO A 4 -12.400 -0.699 -5.276 1.00 0.44 N ATOM 58 CA PRO A 4 -11.200 -0.547 -4.453 1.00 0.41 C ATOM 59 C PRO A 4 -10.496 0.788 -4.689 1.00 0.38 C ATOM 60 O PRO A 4 -10.732 1.456 -5.695 1.00 0.43 O ATOM 61 CB PRO A 4 -10.325 -1.701 -4.933 1.00 0.45 C ATOM 62 CG PRO A 4 -10.661 -1.819 -6.379 1.00 0.50 C ATOM 63 CD PRO A 4 -12.132 -1.503 -6.486 1.00 0.50 C ATOM 0 HA PRO A 4 -11.422 -0.561 -3.386 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.266 -1.490 -4.784 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.546 -2.622 -4.394 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -10.068 -1.126 -6.976 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.448 -2.822 -6.749 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.358 -0.947 -7.396 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.737 -2.409 -6.508 1.00 0.50 H new ATOM 71 N PRO A 5 -9.618 1.191 -3.755 1.00 0.37 N ATOM 72 CA PRO A 5 -8.869 2.453 -3.854 1.00 0.39 C ATOM 73 C PRO A 5 -8.121 2.590 -5.180 1.00 0.38 C ATOM 74 O PRO A 5 -8.141 1.684 -6.012 1.00 0.47 O ATOM 75 CB PRO A 5 -7.884 2.365 -2.684 1.00 0.46 C ATOM 76 CG PRO A 5 -8.555 1.470 -1.704 1.00 0.71 C ATOM 77 CD PRO A 5 -9.284 0.449 -2.526 1.00 0.43 C ATOM 0 HA PRO A 5 -9.525 3.323 -3.816 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -6.924 1.958 -3.002 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -7.687 3.348 -2.255 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -7.828 0.996 -1.044 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -9.244 2.028 -1.071 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.661 -0.420 -2.736 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -10.177 0.085 -2.019 1.00 0.43 H new ATOM 85 N GLY A 6 -7.466 3.734 -5.367 1.00 0.37 N ATOM 86 CA GLY A 6 -6.722 3.981 -6.593 1.00 0.39 C ATOM 87 C GLY A 6 -5.348 3.338 -6.596 1.00 0.42 C ATOM 88 O GLY A 6 -4.987 2.618 -5.666 1.00 0.66 O ATOM 0 H GLY A 6 -7.437 4.496 -4.690 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.295 3.604 -7.440 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.614 5.056 -6.735 1.00 0.39 H new ATOM 92 N LYS A 7 -4.580 3.603 -7.653 1.00 0.41 N ATOM 93 CA LYS A 7 -3.236 3.052 -7.789 1.00 0.44 C ATOM 94 C LYS A 7 -2.283 3.683 -6.771 1.00 0.37 C ATOM 95 O LYS A 7 -2.137 4.904 -6.733 1.00 0.42 O ATOM 96 CB LYS A 7 -2.713 3.292 -9.206 1.00 0.54 C ATOM 97 CG LYS A 7 -1.516 2.430 -9.563 1.00 0.64 C ATOM 98 CD LYS A 7 -0.243 2.962 -8.928 1.00 1.01 C ATOM 99 CE LYS A 7 0.992 2.328 -9.544 1.00 0.95 C ATOM 100 NZ LYS A 7 1.196 2.767 -10.952 1.00 1.52 N ATOM 0 H LYS A 7 -4.869 4.198 -8.429 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.285 1.980 -7.599 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.515 3.099 -9.918 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.439 4.342 -9.311 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -1.690 1.407 -9.231 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -1.399 2.398 -10.646 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.198 4.044 -9.051 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.259 2.764 -7.856 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.869 2.589 -8.951 1.00 0.95 H new ATOM 0 HE3 LYS A 7 0.898 1.243 -9.512 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.182 2.588 -11.232 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 0.557 2.236 -11.577 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 0.992 3.784 -11.032 1.00 1.52 H new ATOM 114 N PRO A 8 -1.624 2.868 -5.924 1.00 0.34 N ATOM 115 CA PRO A 8 -0.692 3.371 -4.900 1.00 0.32 C ATOM 116 C PRO A 8 0.650 3.811 -5.487 1.00 0.33 C ATOM 117 O PRO A 8 1.291 3.061 -6.223 1.00 0.44 O ATOM 118 CB PRO A 8 -0.507 2.163 -3.962 1.00 0.39 C ATOM 119 CG PRO A 8 -1.545 1.175 -4.392 1.00 0.44 C ATOM 120 CD PRO A 8 -1.718 1.401 -5.860 1.00 0.41 C ATOM 0 HA PRO A 8 -1.079 4.260 -4.401 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.496 1.745 -4.050 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.643 2.449 -2.919 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -1.225 0.153 -4.186 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.482 1.330 -3.857 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -0.942 0.911 -6.448 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.676 1.032 -6.225 1.00 0.41 H new ATOM 128 N VAL A 9 1.068 5.037 -5.159 1.00 0.34 N ATOM 129 CA VAL A 9 2.335 5.577 -5.663 1.00 0.38 C ATOM 130 C VAL A 9 3.143 6.244 -4.546 1.00 0.34 C ATOM 131 O VAL A 9 2.708 7.242 -3.980 1.00 0.35 O ATOM 132 CB VAL A 9 2.081 6.616 -6.770 1.00 0.43 C ATOM 133 CG1 VAL A 9 3.353 6.884 -7.561 1.00 0.53 C ATOM 134 CG2 VAL A 9 0.959 6.160 -7.685 1.00 1.09 C ATOM 0 H VAL A 9 0.551 5.672 -4.550 1.00 0.34 H new ATOM 0 HA VAL A 9 2.902 4.737 -6.063 1.00 0.38 H new ATOM 0 HB VAL A 9 1.775 7.550 -6.299 1.00 0.43 H new ATOM 0 HG11 VAL A 9 3.150 7.621 -8.338 1.00 0.53 H new ATOM 0 HG12 VAL A 9 4.124 7.265 -6.892 1.00 0.53 H new ATOM 0 HG13 VAL A 9 3.697 5.958 -8.021 1.00 0.53 H new ATOM 0 HG21 VAL A 9 0.795 6.908 -8.461 1.00 1.09 H new ATOM 0 HG22 VAL A 9 1.230 5.211 -8.148 1.00 1.09 H new ATOM 0 HG23 VAL A 9 0.045 6.033 -7.105 1.00 1.09 H new ATOM 144 N PRO A 10 4.333 5.706 -4.205 1.00 0.34 N ATOM 145 CA PRO A 10 5.170 6.271 -3.146 1.00 0.32 C ATOM 146 C PRO A 10 5.634 7.700 -3.434 1.00 0.37 C ATOM 147 O PRO A 10 6.499 7.916 -4.284 1.00 0.64 O ATOM 148 CB PRO A 10 6.382 5.350 -3.075 1.00 0.38 C ATOM 149 CG PRO A 10 5.992 4.112 -3.805 1.00 0.39 C ATOM 150 CD PRO A 10 4.940 4.513 -4.805 1.00 0.42 C ATOM 0 HA PRO A 10 4.604 6.332 -2.216 1.00 0.32 H new ATOM 0 HB2 PRO A 10 7.255 5.816 -3.533 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.645 5.128 -2.041 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.854 3.670 -4.306 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.605 3.362 -3.116 1.00 0.39 H new ATOM 0 HD2 PRO A 10 5.376 4.732 -5.780 1.00 0.42 H new ATOM 0 HD3 PRO A 10 4.206 3.721 -4.954 1.00 0.42 H new ATOM 158 N LEU A 11 5.076 8.668 -2.712 1.00 0.34 N ATOM 159 CA LEU A 11 5.457 10.067 -2.884 1.00 0.43 C ATOM 160 C LEU A 11 6.907 10.250 -2.456 1.00 0.43 C ATOM 161 O LEU A 11 7.682 10.957 -3.099 1.00 0.57 O ATOM 162 CB LEU A 11 4.567 10.983 -2.028 1.00 0.56 C ATOM 163 CG LEU A 11 3.052 10.983 -2.317 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.626 9.830 -3.220 1.00 1.64 C ATOM 165 CD2 LEU A 11 2.280 10.936 -1.005 1.00 1.12 C ATOM 0 H LEU A 11 4.360 8.510 -2.003 1.00 0.34 H new ATOM 0 HA LEU A 11 5.334 10.333 -3.934 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.709 10.708 -0.983 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.930 12.005 -2.141 1.00 0.56 H new ATOM 0 HG LEU A 11 2.822 11.904 -2.852 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.550 9.879 -3.390 1.00 1.64 H new ATOM 0 HD12 LEU A 11 3.148 9.903 -4.174 1.00 1.64 H new ATOM 0 HD13 LEU A 11 2.875 8.882 -2.742 1.00 1.64 H new ATOM 0 HD21 LEU A 11 1.210 10.936 -1.212 1.00 1.12 H new ATOM 0 HD22 LEU A 11 2.544 10.030 -0.460 1.00 1.12 H new ATOM 0 HD23 LEU A 11 2.533 11.808 -0.403 1.00 1.12 H new ATOM 177 N ASN A 12 7.253 9.590 -1.355 1.00 0.34 N ATOM 178 CA ASN A 12 8.595 9.641 -0.796 1.00 0.36 C ATOM 179 C ASN A 12 9.021 8.244 -0.380 1.00 0.37 C ATOM 180 O ASN A 12 8.177 7.400 -0.102 1.00 0.58 O ATOM 181 CB ASN A 12 8.630 10.574 0.416 1.00 0.42 C ATOM 182 CG ASN A 12 10.042 10.896 0.864 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.618 10.019 1.680 1.00 0.72 O flip ATOM 184 ND2 ASN A 12 10.609 11.920 0.483 1.00 0.71 N flip ATOM 0 H ASN A 12 6.607 9.004 -0.826 1.00 0.34 H new ATOM 0 HA ASN A 12 9.281 10.024 -1.552 1.00 0.36 H new ATOM 0 HB2 ASN A 12 8.110 11.500 0.172 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.088 10.112 1.241 1.00 0.42 H new ATOM 0 HD21 ASN A 12 10.129 12.566 -0.144 1.00 0.71 H new ATOM 0 HD22 ASN A 12 11.559 12.123 0.794 1.00 0.71 H new ATOM 191 N ILE A 13 10.321 7.999 -0.342 1.00 0.38 N ATOM 192 CA ILE A 13 10.828 6.689 0.038 1.00 0.43 C ATOM 193 C ILE A 13 12.111 6.809 0.854 1.00 0.53 C ATOM 194 O ILE A 13 13.169 7.150 0.323 1.00 0.75 O ATOM 195 CB ILE A 13 11.066 5.825 -1.206 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.766 6.652 -2.285 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.735 5.283 -1.715 1.00 0.53 C ATOM 198 CD1 ILE A 13 11.842 5.964 -3.626 1.00 0.96 C ATOM 0 H ILE A 13 11.041 8.685 -0.568 1.00 0.38 H new ATOM 0 HA ILE A 13 10.076 6.207 0.662 1.00 0.43 H new ATOM 0 HB ILE A 13 11.708 4.982 -0.949 1.00 0.48 H new ATOM 0 HG12 ILE A 13 11.239 7.599 -2.402 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.776 6.888 -1.950 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.906 4.669 -2.599 1.00 0.53 H new ATOM 0 HG22 ILE A 13 9.268 4.678 -0.938 1.00 0.53 H new ATOM 0 HG23 ILE A 13 9.078 6.114 -1.972 1.00 0.53 H new ATOM 0 HD11 ILE A 13 12.352 6.612 -4.339 1.00 0.96 H new ATOM 0 HD12 ILE A 13 12.395 5.030 -3.525 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.834 5.752 -3.984 1.00 0.96 H new ATOM 210 N THR A 14 12.004 6.540 2.154 1.00 0.59 N ATOM 211 CA THR A 14 13.147 6.631 3.059 1.00 0.71 C ATOM 212 C THR A 14 13.734 5.265 3.386 1.00 0.79 C ATOM 213 O THR A 14 13.850 4.899 4.550 1.00 1.46 O ATOM 214 CB THR A 14 12.740 7.355 4.343 1.00 0.75 C ATOM 215 OG1 THR A 14 11.405 7.821 4.253 1.00 0.69 O ATOM 216 CG2 THR A 14 13.621 8.544 4.662 1.00 0.94 C ATOM 0 H THR A 14 11.134 6.256 2.605 1.00 0.59 H new ATOM 0 HA THR A 14 13.924 7.201 2.549 1.00 0.71 H new ATOM 0 HB THR A 14 12.848 6.618 5.139 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.788 7.087 4.457 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.279 9.013 5.584 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.652 8.211 4.785 1.00 0.94 H new ATOM 0 HG23 THR A 14 13.568 9.265 3.847 1.00 0.94 H new ATOM 224 N ARG A 15 14.123 4.540 2.339 1.00 0.66 N ATOM 225 CA ARG A 15 14.730 3.213 2.473 1.00 0.67 C ATOM 226 C ARG A 15 13.887 2.259 3.326 1.00 0.71 C ATOM 227 O ARG A 15 13.254 1.341 2.805 1.00 1.19 O ATOM 228 CB ARG A 15 16.153 3.292 3.064 1.00 0.80 C ATOM 229 CG ARG A 15 16.809 4.671 3.054 1.00 0.96 C ATOM 230 CD ARG A 15 17.496 4.959 4.381 1.00 1.13 C ATOM 231 NE ARG A 15 18.559 5.950 4.247 1.00 1.43 N ATOM 232 CZ ARG A 15 19.270 6.407 5.272 1.00 1.67 C ATOM 233 NH1 ARG A 15 19.031 5.964 6.498 1.00 2.42 N ATOM 234 NH2 ARG A 15 20.221 7.310 5.075 1.00 1.90 N ATOM 0 H ARG A 15 14.027 4.854 1.373 1.00 0.66 H new ATOM 0 HA ARG A 15 14.780 2.814 1.460 1.00 0.67 H new ATOM 0 HB2 ARG A 15 16.117 2.937 4.094 1.00 0.80 H new ATOM 0 HB3 ARG A 15 16.793 2.604 2.512 1.00 0.80 H new ATOM 0 HG2 ARG A 15 17.537 4.725 2.245 1.00 0.96 H new ATOM 0 HG3 ARG A 15 16.056 5.434 2.857 1.00 0.96 H new ATOM 0 HD2 ARG A 15 16.758 5.315 5.100 1.00 1.13 H new ATOM 0 HD3 ARG A 15 17.912 4.034 4.781 1.00 1.13 H new ATOM 0 HE ARG A 15 18.767 6.311 3.316 1.00 1.43 H new ATOM 0 HH11 ARG A 15 18.300 5.271 6.656 1.00 2.42 H new ATOM 0 HH12 ARG A 15 19.578 6.316 7.283 1.00 2.42 H new ATOM 0 HH21 ARG A 15 20.409 7.656 4.134 1.00 1.90 H new ATOM 0 HH22 ARG A 15 20.765 7.659 5.864 1.00 1.90 H new ATOM 248 N HIS A 16 13.897 2.473 4.638 1.00 0.50 N ATOM 249 CA HIS A 16 13.150 1.622 5.566 1.00 0.54 C ATOM 250 C HIS A 16 11.663 1.959 5.582 1.00 0.57 C ATOM 251 O HIS A 16 10.821 1.073 5.735 1.00 0.97 O ATOM 252 CB HIS A 16 13.715 1.749 6.980 1.00 0.67 C ATOM 253 CG HIS A 16 14.994 0.999 7.191 1.00 0.68 C ATOM 254 ND1 HIS A 16 15.447 0.592 8.426 1.00 0.97 N ATOM 255 CD2 HIS A 16 15.924 0.579 6.293 1.00 0.78 C ATOM 256 CE1 HIS A 16 16.612 -0.045 8.247 1.00 1.02 C ATOM 257 NE2 HIS A 16 16.946 -0.081 6.971 1.00 0.86 N ATOM 0 H HIS A 16 14.414 3.229 5.086 1.00 0.50 H new ATOM 0 HA HIS A 16 13.260 0.596 5.216 1.00 0.54 H new ATOM 0 HB2 HIS A 16 13.883 2.803 7.201 1.00 0.67 H new ATOM 0 HB3 HIS A 16 12.972 1.389 7.692 1.00 0.67 H new ATOM 0 HD1 HIS A 16 14.979 0.748 9.319 1.00 0.97 H new ATOM 0 HD2 HIS A 16 15.878 0.732 5.225 1.00 0.78 H new ATOM 0 HE1 HIS A 16 17.201 -0.474 9.044 1.00 1.02 H new ATOM 265 N THR A 17 11.340 3.234 5.433 1.00 0.43 N ATOM 266 CA THR A 17 9.949 3.662 5.440 1.00 0.42 C ATOM 267 C THR A 17 9.622 4.467 4.196 1.00 0.38 C ATOM 268 O THR A 17 10.190 5.537 3.968 1.00 0.56 O ATOM 269 CB THR A 17 9.646 4.488 6.687 1.00 0.56 C ATOM 270 OG1 THR A 17 10.654 5.460 6.903 1.00 0.65 O ATOM 271 CG2 THR A 17 9.537 3.652 7.942 1.00 0.68 C ATOM 0 H THR A 17 12.017 3.987 5.306 1.00 0.43 H new ATOM 0 HA THR A 17 9.326 2.768 5.449 1.00 0.42 H new ATOM 0 HB THR A 17 8.681 4.958 6.496 1.00 0.56 H new ATOM 0 HG1 THR A 17 10.859 5.912 6.058 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.321 4.299 8.792 1.00 0.68 H new ATOM 0 HG22 THR A 17 8.734 2.924 7.826 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.478 3.129 8.114 1.00 0.68 H new ATOM 279 N VAL A 18 8.705 3.949 3.394 1.00 0.27 N ATOM 280 CA VAL A 18 8.305 4.623 2.174 1.00 0.33 C ATOM 281 C VAL A 18 6.879 5.164 2.285 1.00 0.32 C ATOM 282 O VAL A 18 6.009 4.537 2.880 1.00 0.51 O ATOM 283 CB VAL A 18 8.436 3.692 0.953 1.00 0.44 C ATOM 284 CG1 VAL A 18 9.828 3.079 0.892 1.00 0.46 C ATOM 285 CG2 VAL A 18 7.355 2.636 0.939 1.00 0.80 C ATOM 0 H VAL A 18 8.226 3.065 3.568 1.00 0.27 H new ATOM 0 HA VAL A 18 8.980 5.467 2.030 1.00 0.33 H new ATOM 0 HB VAL A 18 8.298 4.293 0.054 1.00 0.44 H new ATOM 0 HG11 VAL A 18 9.900 2.425 0.023 1.00 0.46 H new ATOM 0 HG12 VAL A 18 10.572 3.872 0.812 1.00 0.46 H new ATOM 0 HG13 VAL A 18 10.011 2.500 1.797 1.00 0.46 H new ATOM 0 HG21 VAL A 18 7.480 1.999 0.064 1.00 0.80 H new ATOM 0 HG22 VAL A 18 7.427 2.030 1.842 1.00 0.80 H new ATOM 0 HG23 VAL A 18 6.377 3.117 0.901 1.00 0.80 H new ATOM 295 N THR A 19 6.661 6.342 1.722 1.00 0.27 N ATOM 296 CA THR A 19 5.357 6.996 1.763 1.00 0.24 C ATOM 297 C THR A 19 4.663 6.959 0.406 1.00 0.22 C ATOM 298 O THR A 19 5.248 7.380 -0.584 1.00 0.34 O ATOM 299 CB THR A 19 5.548 8.456 2.182 1.00 0.28 C ATOM 300 OG1 THR A 19 6.030 8.540 3.511 1.00 0.35 O ATOM 301 CG2 THR A 19 4.284 9.286 2.096 1.00 0.32 C ATOM 0 H THR A 19 7.377 6.872 1.225 1.00 0.27 H new ATOM 0 HA THR A 19 4.732 6.462 2.478 1.00 0.24 H new ATOM 0 HB THR A 19 6.270 8.860 1.473 1.00 0.28 H new ATOM 0 HG1 THR A 19 5.371 8.151 4.123 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.498 10.308 2.408 1.00 0.32 H new ATOM 0 HG22 THR A 19 3.920 9.289 1.069 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.523 8.859 2.749 1.00 0.32 H new ATOM 309 N LEU A 20 3.409 6.487 0.377 1.00 0.28 N ATOM 310 CA LEU A 20 2.640 6.437 -0.869 1.00 0.26 C ATOM 311 C LEU A 20 1.230 6.988 -0.675 1.00 0.28 C ATOM 312 O LEU A 20 0.696 7.009 0.437 1.00 0.40 O ATOM 313 CB LEU A 20 2.570 5.018 -1.468 1.00 0.33 C ATOM 314 CG LEU A 20 3.007 3.857 -0.568 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.460 4.010 -0.155 1.00 0.50 C ATOM 316 CD2 LEU A 20 2.101 3.735 0.646 1.00 0.52 C ATOM 0 H LEU A 20 2.911 6.138 1.196 1.00 0.28 H new ATOM 0 HA LEU A 20 3.175 7.069 -1.578 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.543 4.834 -1.782 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.186 5.000 -2.367 1.00 0.33 H new ATOM 0 HG LEU A 20 2.917 2.934 -1.141 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.747 3.174 0.483 1.00 0.50 H new ATOM 0 HD12 LEU A 20 5.091 4.022 -1.043 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.586 4.944 0.392 1.00 0.50 H new ATOM 0 HD21 LEU A 20 2.434 2.903 1.267 1.00 0.52 H new ATOM 0 HD22 LEU A 20 2.141 4.658 1.224 1.00 0.52 H new ATOM 0 HD23 LEU A 20 1.077 3.556 0.319 1.00 0.52 H new ATOM 328 N LYS A 21 0.643 7.437 -1.781 1.00 0.25 N ATOM 329 CA LYS A 21 -0.701 8.004 -1.779 1.00 0.31 C ATOM 330 C LYS A 21 -1.483 7.499 -2.993 1.00 0.31 C ATOM 331 O LYS A 21 -0.919 7.325 -4.077 1.00 0.51 O ATOM 332 CB LYS A 21 -0.608 9.542 -1.769 1.00 0.40 C ATOM 333 CG LYS A 21 -1.839 10.275 -2.288 1.00 0.81 C ATOM 334 CD LYS A 21 -3.109 9.767 -1.635 1.00 0.95 C ATOM 335 CE LYS A 21 -3.908 10.895 -1.003 1.00 1.26 C ATOM 336 NZ LYS A 21 -3.194 11.504 0.151 1.00 1.84 N ATOM 0 H LYS A 21 1.084 7.418 -2.700 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.235 7.687 -0.884 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -0.414 9.871 -0.748 1.00 0.40 H new ATOM 0 HB3 LYS A 21 0.252 9.841 -2.369 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -1.734 11.343 -2.098 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -1.909 10.149 -3.368 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -3.723 9.259 -2.379 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -2.856 9.029 -0.873 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -4.108 11.662 -1.752 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -4.874 10.514 -0.672 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -3.840 11.570 0.963 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -2.377 10.913 0.405 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -2.865 12.456 -0.108 1.00 1.84 H new ATOM 350 N TRP A 22 -2.778 7.252 -2.800 1.00 0.25 N ATOM 351 CA TRP A 22 -3.630 6.755 -3.875 1.00 0.24 C ATOM 352 C TRP A 22 -4.990 7.447 -3.889 1.00 0.24 C ATOM 353 O TRP A 22 -5.400 8.064 -2.907 1.00 0.40 O ATOM 354 CB TRP A 22 -3.848 5.260 -3.709 1.00 0.27 C ATOM 355 CG TRP A 22 -4.402 4.897 -2.368 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.714 4.718 -2.039 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.655 4.675 -1.170 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.826 4.396 -0.708 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.575 4.362 -0.154 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.295 4.708 -0.861 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.177 4.086 1.149 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -1.901 4.432 0.434 1.00 0.31 C ATOM 363 CH2 TRP A 22 -2.840 4.124 1.426 1.00 0.32 C ATOM 0 H TRP A 22 -3.258 7.388 -1.910 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.123 6.968 -4.816 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.529 4.909 -4.485 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -2.901 4.741 -3.858 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.543 4.815 -2.724 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.699 4.212 -0.214 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.564 4.945 -1.620 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -4.900 3.850 1.916 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -0.851 4.454 0.686 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.501 3.912 2.429 1.00 0.32 H new ATOM 374 N ALA A 23 -5.690 7.321 -5.010 1.00 0.31 N ATOM 375 CA ALA A 23 -7.012 7.915 -5.156 1.00 0.33 C ATOM 376 C ALA A 23 -8.058 7.056 -4.457 1.00 0.36 C ATOM 377 O ALA A 23 -7.796 5.903 -4.120 1.00 0.83 O ATOM 378 CB ALA A 23 -7.360 8.079 -6.628 1.00 0.36 C ATOM 0 H ALA A 23 -5.363 6.812 -5.831 1.00 0.31 H new ATOM 0 HA ALA A 23 -7.003 8.900 -4.690 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.351 8.524 -6.720 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.625 8.727 -7.106 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.354 7.103 -7.114 1.00 0.36 H new ATOM 384 N LYS A 24 -9.242 7.614 -4.239 1.00 0.59 N ATOM 385 CA LYS A 24 -10.310 6.876 -3.578 1.00 0.61 C ATOM 386 C LYS A 24 -11.280 6.284 -4.604 1.00 0.59 C ATOM 387 O LYS A 24 -11.373 6.768 -5.732 1.00 0.69 O ATOM 388 CB LYS A 24 -11.038 7.784 -2.568 1.00 0.74 C ATOM 389 CG LYS A 24 -12.270 8.500 -3.110 1.00 1.21 C ATOM 390 CD LYS A 24 -13.542 7.740 -2.769 1.00 1.22 C ATOM 391 CE LYS A 24 -14.783 8.518 -3.174 1.00 1.55 C ATOM 392 NZ LYS A 24 -14.705 8.999 -4.581 1.00 2.11 N ATOM 0 H LYS A 24 -9.486 8.567 -4.508 1.00 0.59 H new ATOM 0 HA LYS A 24 -9.872 6.043 -3.028 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -11.336 7.181 -1.710 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -10.334 8.532 -2.203 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -12.322 9.506 -2.694 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -12.186 8.606 -4.192 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.536 6.774 -3.274 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.571 7.539 -1.698 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -15.662 7.885 -3.055 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -14.911 9.370 -2.506 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -15.643 9.327 -4.888 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -14.026 9.785 -4.642 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -14.391 8.222 -5.197 1.00 2.11 H new ATOM 406 N PRO A 25 -12.014 5.224 -4.222 1.00 0.56 N ATOM 407 CA PRO A 25 -12.977 4.566 -5.112 1.00 0.63 C ATOM 408 C PRO A 25 -13.936 5.550 -5.769 1.00 0.75 C ATOM 409 O PRO A 25 -13.794 6.764 -5.628 1.00 0.89 O ATOM 410 CB PRO A 25 -13.746 3.641 -4.175 1.00 0.63 C ATOM 411 CG PRO A 25 -12.797 3.346 -3.067 1.00 0.71 C ATOM 412 CD PRO A 25 -11.960 4.582 -2.894 1.00 0.58 C ATOM 0 HA PRO A 25 -12.478 4.057 -5.937 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.652 4.119 -3.803 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -14.054 2.728 -4.685 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.333 3.107 -2.148 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -12.174 2.484 -3.307 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -12.361 5.233 -2.117 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.937 4.337 -2.608 1.00 0.58 H new ATOM 420 N GLU A 26 -14.915 5.013 -6.490 1.00 0.85 N ATOM 421 CA GLU A 26 -15.901 5.839 -7.176 1.00 1.05 C ATOM 422 C GLU A 26 -17.329 5.494 -6.748 1.00 0.95 C ATOM 423 O GLU A 26 -18.225 6.335 -6.837 1.00 1.12 O ATOM 424 CB GLU A 26 -15.758 5.672 -8.688 1.00 1.29 C ATOM 425 CG GLU A 26 -15.823 4.226 -9.150 1.00 1.83 C ATOM 426 CD GLU A 26 -16.795 4.025 -10.296 1.00 2.18 C ATOM 427 OE1 GLU A 26 -17.962 4.453 -10.169 1.00 2.77 O ATOM 428 OE2 GLU A 26 -16.390 3.438 -11.322 1.00 2.53 O ATOM 0 H GLU A 26 -15.046 4.009 -6.614 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.713 6.877 -6.901 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -16.546 6.239 -9.184 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -14.808 6.103 -9.004 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -14.829 3.902 -9.460 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -16.118 3.593 -8.313 1.00 1.83 H new ATOM 435 N TYR A 27 -17.545 4.262 -6.292 1.00 0.85 N ATOM 436 CA TYR A 27 -18.877 3.838 -5.867 1.00 0.84 C ATOM 437 C TYR A 27 -18.861 3.204 -4.477 1.00 0.86 C ATOM 438 O TYR A 27 -19.380 3.781 -3.523 1.00 1.37 O ATOM 439 CB TYR A 27 -19.466 2.854 -6.879 1.00 0.86 C ATOM 440 CG TYR A 27 -20.978 2.815 -6.865 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.727 3.836 -7.438 1.00 1.15 C ATOM 442 CD2 TYR A 27 -21.655 1.758 -6.275 1.00 0.93 C ATOM 443 CE1 TYR A 27 -23.109 3.801 -7.424 1.00 1.28 C ATOM 444 CE2 TYR A 27 -23.035 1.714 -6.257 1.00 1.04 C ATOM 445 CZ TYR A 27 -23.757 2.737 -6.832 1.00 1.19 C ATOM 446 OH TYR A 27 -25.133 2.698 -6.815 1.00 1.35 O ATOM 0 H TYR A 27 -16.823 3.546 -6.208 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.501 4.730 -5.817 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -19.126 3.124 -7.879 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -19.082 1.856 -6.671 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -21.221 4.670 -7.902 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -21.093 0.955 -5.822 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -23.678 4.602 -7.874 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -23.546 0.882 -5.795 1.00 1.04 H new ATOM 0 HH TYR A 27 -25.432 1.882 -6.362 1.00 1.35 H new ATOM 456 N THR A 28 -18.277 2.012 -4.373 1.00 0.65 N ATOM 457 CA THR A 28 -18.210 1.298 -3.099 1.00 0.61 C ATOM 458 C THR A 28 -19.610 1.032 -2.555 1.00 0.66 C ATOM 459 O THR A 28 -19.905 1.333 -1.399 1.00 0.81 O ATOM 460 CB THR A 28 -17.394 2.086 -2.074 1.00 0.64 C ATOM 461 OG1 THR A 28 -18.147 3.162 -1.544 1.00 0.91 O ATOM 462 CG2 THR A 28 -16.115 2.656 -2.643 1.00 0.79 C ATOM 0 H THR A 28 -17.844 1.520 -5.155 1.00 0.65 H new ATOM 0 HA THR A 28 -17.715 0.343 -3.278 1.00 0.61 H new ATOM 0 HB THR A 28 -17.140 1.367 -1.295 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.719 3.538 -2.245 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.583 3.203 -1.865 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.487 1.844 -3.010 1.00 0.79 H new ATOM 0 HG23 THR A 28 -16.352 3.332 -3.465 1.00 0.79 H new ATOM 470 N GLY A 29 -20.471 0.465 -3.402 1.00 0.75 N ATOM 471 CA GLY A 29 -21.838 0.163 -2.998 1.00 0.80 C ATOM 472 C GLY A 29 -22.464 1.276 -2.175 1.00 0.85 C ATOM 473 O GLY A 29 -22.930 2.278 -2.718 1.00 1.01 O ATOM 0 H GLY A 29 -20.245 0.209 -4.363 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.445 -0.012 -3.886 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.846 -0.760 -2.419 1.00 0.80 H new ATOM 477 N GLY A 30 -22.454 1.098 -0.861 1.00 0.83 N ATOM 478 CA GLY A 30 -23.001 2.091 0.041 1.00 0.89 C ATOM 479 C GLY A 30 -22.186 2.130 1.311 1.00 0.85 C ATOM 480 O GLY A 30 -22.706 2.365 2.400 1.00 0.98 O ATOM 0 H GLY A 30 -22.072 0.273 -0.400 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.996 3.071 -0.436 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -24.040 1.854 0.271 1.00 0.89 H new ATOM 484 N PHE A 31 -20.896 1.868 1.148 1.00 0.73 N ATOM 485 CA PHE A 31 -19.957 1.831 2.253 1.00 0.69 C ATOM 486 C PHE A 31 -19.013 3.026 2.216 1.00 0.67 C ATOM 487 O PHE A 31 -19.217 3.969 1.450 1.00 0.74 O ATOM 488 CB PHE A 31 -19.158 0.523 2.206 1.00 0.63 C ATOM 489 CG PHE A 31 -19.811 -0.585 1.413 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.952 -1.211 1.890 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.288 -0.994 0.194 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.560 -2.222 1.171 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.893 -2.008 -0.530 1.00 0.73 C ATOM 494 CZ PHE A 31 -21.030 -2.622 -0.039 1.00 0.83 C ATOM 0 H PHE A 31 -20.473 1.675 0.240 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.520 1.880 3.185 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -18.176 0.728 1.779 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.996 0.175 3.226 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.372 -0.904 2.837 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.400 -0.517 -0.194 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.449 -2.699 1.555 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.477 -2.319 -1.477 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.503 -3.414 -0.601 1.00 0.83 H new ATOM 504 N LYS A 32 -17.987 2.982 3.057 1.00 0.68 N ATOM 505 CA LYS A 32 -17.013 4.069 3.132 1.00 0.72 C ATOM 506 C LYS A 32 -15.593 3.551 3.350 1.00 0.66 C ATOM 507 O LYS A 32 -14.744 4.273 3.868 1.00 0.74 O ATOM 508 CB LYS A 32 -17.384 5.014 4.274 1.00 0.86 C ATOM 509 CG LYS A 32 -17.661 4.294 5.585 1.00 1.38 C ATOM 510 CD LYS A 32 -17.554 5.234 6.776 1.00 1.38 C ATOM 511 CE LYS A 32 -16.490 4.768 7.758 1.00 1.50 C ATOM 512 NZ LYS A 32 -16.772 5.230 9.145 1.00 2.26 N ATOM 0 H LYS A 32 -17.806 2.208 3.696 1.00 0.68 H new ATOM 0 HA LYS A 32 -17.036 4.597 2.179 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -16.574 5.728 4.424 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -18.266 5.588 3.989 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -18.659 3.856 5.556 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -16.955 3.472 5.705 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -17.315 6.239 6.428 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -18.517 5.293 7.282 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -16.434 3.680 7.743 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -15.516 5.142 7.442 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -16.024 4.891 9.783 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -16.800 6.269 9.166 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -17.690 4.852 9.457 1.00 2.26 H new ATOM 526 N ILE A 33 -15.336 2.304 2.960 1.00 0.67 N ATOM 527 CA ILE A 33 -14.010 1.708 3.127 1.00 0.66 C ATOM 528 C ILE A 33 -13.675 1.529 4.608 1.00 0.80 C ATOM 529 O ILE A 33 -13.616 0.407 5.107 1.00 1.71 O ATOM 530 CB ILE A 33 -12.913 2.568 2.458 1.00 0.59 C ATOM 531 CG1 ILE A 33 -13.191 2.715 0.957 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.533 1.965 2.700 1.00 0.58 C ATOM 533 CD1 ILE A 33 -12.796 1.507 0.132 1.00 0.91 C ATOM 0 H ILE A 33 -16.025 1.688 2.528 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.036 0.733 2.641 1.00 0.66 H new ATOM 0 HB ILE A 33 -12.929 3.561 2.908 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -14.254 2.908 0.813 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -12.655 3.587 0.583 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -10.776 2.586 2.221 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.339 1.918 3.772 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -11.497 0.960 2.281 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.025 1.692 -0.917 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -11.727 1.324 0.243 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -13.351 0.634 0.476 1.00 0.91 H new ATOM 545 N THR A 34 -13.466 2.652 5.299 1.00 0.72 N ATOM 546 CA THR A 34 -13.141 2.666 6.732 1.00 0.73 C ATOM 547 C THR A 34 -11.638 2.541 6.981 1.00 0.59 C ATOM 548 O THR A 34 -11.153 2.904 8.053 1.00 0.76 O ATOM 549 CB THR A 34 -13.885 1.567 7.505 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.167 0.346 7.466 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.285 1.300 6.997 1.00 1.15 C ATOM 0 H THR A 34 -13.517 3.581 4.882 1.00 0.72 H new ATOM 0 HA THR A 34 -13.474 3.635 7.103 1.00 0.73 H new ATOM 0 HB THR A 34 -13.962 1.946 8.524 1.00 0.99 H new ATOM 0 HG1 THR A 34 -13.441 -0.170 6.679 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.744 0.512 7.594 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.881 2.209 7.077 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.240 0.986 5.954 1.00 1.15 H new ATOM 559 N SER A 35 -10.898 2.026 6.001 1.00 0.49 N ATOM 560 CA SER A 35 -9.453 1.866 6.154 1.00 0.47 C ATOM 561 C SER A 35 -8.814 1.321 4.881 1.00 0.45 C ATOM 562 O SER A 35 -9.502 0.815 3.996 1.00 0.72 O ATOM 563 CB SER A 35 -9.150 0.925 7.319 1.00 0.64 C ATOM 564 OG SER A 35 -7.811 1.070 7.762 1.00 1.58 O ATOM 0 H SER A 35 -11.269 1.716 5.103 1.00 0.49 H new ATOM 0 HA SER A 35 -9.030 2.850 6.356 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.833 1.131 8.143 1.00 0.64 H new ATOM 0 HB3 SER A 35 -9.324 -0.106 7.011 1.00 0.64 H new ATOM 0 HG SER A 35 -7.645 0.457 8.509 1.00 1.58 H new ATOM 570 N TYR A 36 -7.489 1.421 4.801 1.00 0.27 N ATOM 571 CA TYR A 36 -6.750 0.933 3.643 1.00 0.28 C ATOM 572 C TYR A 36 -5.532 0.121 4.072 1.00 0.33 C ATOM 573 O TYR A 36 -4.555 0.674 4.575 1.00 0.68 O ATOM 574 CB TYR A 36 -6.294 2.097 2.766 1.00 0.29 C ATOM 575 CG TYR A 36 -7.399 3.044 2.355 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.384 2.648 1.461 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.450 4.338 2.859 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.392 3.515 1.082 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.455 5.210 2.484 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.423 4.793 1.596 1.00 0.60 C ATOM 581 OH TYR A 36 -10.425 5.658 1.221 1.00 0.76 O ATOM 0 H TYR A 36 -6.906 1.837 5.527 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.421 0.291 3.073 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.530 2.661 3.301 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.824 1.696 1.868 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.363 1.647 1.055 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.693 4.668 3.555 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -10.152 3.192 0.386 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.481 6.213 2.885 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.302 6.518 1.675 1.00 0.76 H new ATOM 591 N ILE A 37 -5.588 -1.189 3.863 1.00 0.24 N ATOM 592 CA ILE A 37 -4.477 -2.064 4.222 1.00 0.26 C ATOM 593 C ILE A 37 -3.454 -2.105 3.095 1.00 0.33 C ATOM 594 O ILE A 37 -3.789 -1.840 1.944 1.00 0.70 O ATOM 595 CB ILE A 37 -4.949 -3.499 4.525 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.312 -3.482 5.221 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.920 -4.218 5.384 1.00 0.46 C ATOM 598 CD1 ILE A 37 -6.772 -4.847 5.687 1.00 1.14 C ATOM 0 H ILE A 37 -6.387 -1.668 3.448 1.00 0.24 H new ATOM 0 HA ILE A 37 -4.024 -1.654 5.125 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.055 -4.037 3.583 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.264 -2.812 6.079 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -7.055 -3.072 4.537 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.264 -5.231 5.592 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -2.969 -4.259 4.854 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.789 -3.679 6.323 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -7.745 -4.758 6.171 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -6.853 -5.516 4.830 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -6.050 -5.252 6.396 1.00 1.14 H new ATOM 610 N VAL A 38 -2.207 -2.433 3.421 1.00 0.36 N ATOM 611 CA VAL A 38 -1.155 -2.495 2.411 1.00 0.42 C ATOM 612 C VAL A 38 -0.298 -3.744 2.563 1.00 0.35 C ATOM 613 O VAL A 38 0.274 -3.990 3.623 1.00 0.48 O ATOM 614 CB VAL A 38 -0.230 -1.265 2.469 1.00 0.63 C ATOM 615 CG1 VAL A 38 0.632 -1.197 1.218 1.00 0.51 C ATOM 616 CG2 VAL A 38 -1.032 0.015 2.647 1.00 0.46 C ATOM 0 H VAL A 38 -1.902 -2.658 4.368 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.668 -2.519 1.450 1.00 0.42 H new ATOM 0 HB VAL A 38 0.424 -1.367 3.335 1.00 0.63 H new ATOM 0 HG11 VAL A 38 1.282 -0.323 1.271 1.00 0.51 H new ATOM 0 HG12 VAL A 38 1.241 -2.098 1.146 1.00 0.51 H new ATOM 0 HG13 VAL A 38 -0.008 -1.121 0.339 1.00 0.51 H new ATOM 0 HG21 VAL A 38 -0.353 0.867 2.685 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -1.718 0.134 1.808 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -1.600 -0.038 3.576 1.00 0.46 H new ATOM 626 N GLU A 39 -0.205 -4.524 1.491 1.00 0.30 N ATOM 627 CA GLU A 39 0.593 -5.744 1.498 1.00 0.33 C ATOM 628 C GLU A 39 1.975 -5.473 0.906 1.00 0.32 C ATOM 629 O GLU A 39 2.094 -4.862 -0.159 1.00 0.43 O ATOM 630 CB GLU A 39 -0.121 -6.845 0.711 1.00 0.42 C ATOM 631 CG GLU A 39 -1.614 -6.911 0.987 1.00 0.51 C ATOM 632 CD GLU A 39 -2.186 -8.300 0.784 1.00 0.92 C ATOM 633 OE1 GLU A 39 -2.026 -8.854 -0.324 1.00 1.67 O ATOM 634 OE2 GLU A 39 -2.795 -8.835 1.734 1.00 1.52 O ATOM 0 H GLU A 39 -0.673 -4.332 0.605 1.00 0.30 H new ATOM 0 HA GLU A 39 0.717 -6.079 2.528 1.00 0.33 H new ATOM 0 HB2 GLU A 39 0.037 -6.681 -0.355 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.329 -7.807 0.956 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.804 -6.590 2.011 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.132 -6.210 0.332 1.00 0.51 H new ATOM 641 N LYS A 40 3.016 -5.919 1.605 1.00 0.28 N ATOM 642 CA LYS A 40 4.390 -5.708 1.150 1.00 0.31 C ATOM 643 C LYS A 40 4.949 -6.934 0.436 1.00 0.29 C ATOM 644 O LYS A 40 4.741 -8.069 0.866 1.00 0.35 O ATOM 645 CB LYS A 40 5.292 -5.348 2.334 1.00 0.43 C ATOM 646 CG LYS A 40 5.008 -6.163 3.586 1.00 0.92 C ATOM 647 CD LYS A 40 6.272 -6.385 4.404 1.00 1.14 C ATOM 648 CE LYS A 40 6.650 -7.856 4.463 1.00 1.65 C ATOM 649 NZ LYS A 40 6.702 -8.363 5.861 1.00 1.97 N ATOM 0 H LYS A 40 2.936 -6.427 2.486 1.00 0.28 H new ATOM 0 HA LYS A 40 4.371 -4.883 0.438 1.00 0.31 H new ATOM 0 HB2 LYS A 40 6.333 -5.493 2.044 1.00 0.43 H new ATOM 0 HB3 LYS A 40 5.170 -4.290 2.564 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.264 -5.649 4.195 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.581 -7.126 3.306 1.00 0.92 H new ATOM 0 HD2 LYS A 40 7.093 -5.815 3.968 1.00 1.14 H new ATOM 0 HD3 LYS A 40 6.123 -6.006 5.415 1.00 1.14 H new ATOM 0 HE2 LYS A 40 5.927 -8.439 3.893 1.00 1.65 H new ATOM 0 HE3 LYS A 40 7.621 -8.000 3.989 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 6.963 -9.370 5.856 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 7.410 -7.824 6.400 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 5.769 -8.250 6.306 1.00 1.97 H new ATOM 663 N ARG A 41 5.675 -6.690 -0.654 1.00 0.36 N ATOM 664 CA ARG A 41 6.285 -7.763 -1.430 1.00 0.40 C ATOM 665 C ARG A 41 7.791 -7.567 -1.512 1.00 0.41 C ATOM 666 O ARG A 41 8.273 -6.651 -2.181 1.00 0.43 O ATOM 667 CB ARG A 41 5.697 -7.822 -2.841 1.00 0.46 C ATOM 668 CG ARG A 41 6.225 -8.982 -3.668 1.00 0.58 C ATOM 669 CD ARG A 41 5.945 -8.787 -5.150 1.00 0.88 C ATOM 670 NE ARG A 41 4.962 -9.743 -5.653 1.00 0.95 N ATOM 671 CZ ARG A 41 4.494 -9.731 -6.897 1.00 1.13 C ATOM 672 NH1 ARG A 41 4.917 -8.814 -7.759 1.00 1.44 N ATOM 673 NH2 ARG A 41 3.603 -10.635 -7.280 1.00 1.44 N ATOM 0 H ARG A 41 5.854 -5.754 -1.019 1.00 0.36 H new ATOM 0 HA ARG A 41 6.071 -8.705 -0.924 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.612 -7.900 -2.771 1.00 0.46 H new ATOM 0 HB3 ARG A 41 5.917 -6.888 -3.357 1.00 0.46 H new ATOM 0 HG2 ARG A 41 7.299 -9.083 -3.510 1.00 0.58 H new ATOM 0 HG3 ARG A 41 5.765 -9.910 -3.329 1.00 0.58 H new ATOM 0 HD2 ARG A 41 5.584 -7.773 -5.320 1.00 0.88 H new ATOM 0 HD3 ARG A 41 6.873 -8.893 -5.711 1.00 0.88 H new ATOM 0 HE ARG A 41 4.616 -10.459 -5.015 1.00 0.95 H new ATOM 0 HH11 ARG A 41 5.602 -8.117 -7.467 1.00 1.44 H new ATOM 0 HH12 ARG A 41 4.557 -8.806 -8.713 1.00 1.44 H new ATOM 0 HH21 ARG A 41 3.276 -11.340 -6.620 1.00 1.44 H new ATOM 0 HH22 ARG A 41 3.244 -10.625 -8.235 1.00 1.44 H new ATOM 687 N ASP A 42 8.529 -8.431 -0.825 1.00 0.50 N ATOM 688 CA ASP A 42 9.986 -8.355 -0.818 1.00 0.57 C ATOM 689 C ASP A 42 10.558 -8.914 -2.116 1.00 0.62 C ATOM 690 O ASP A 42 10.743 -10.123 -2.254 1.00 0.91 O ATOM 691 CB ASP A 42 10.568 -9.123 0.375 1.00 0.71 C ATOM 692 CG ASP A 42 9.631 -9.169 1.568 1.00 0.93 C ATOM 693 OD1 ASP A 42 9.201 -8.091 2.029 1.00 1.59 O ATOM 694 OD2 ASP A 42 9.328 -10.285 2.040 1.00 1.49 O ATOM 0 H ASP A 42 8.143 -9.192 -0.266 1.00 0.50 H new ATOM 0 HA ASP A 42 10.265 -7.305 -0.729 1.00 0.57 H new ATOM 0 HB2 ASP A 42 10.802 -10.141 0.065 1.00 0.71 H new ATOM 0 HB3 ASP A 42 11.507 -8.658 0.676 1.00 0.71 H new ATOM 699 N LEU A 43 10.833 -8.028 -3.065 1.00 0.63 N ATOM 700 CA LEU A 43 11.382 -8.433 -4.354 1.00 0.68 C ATOM 701 C LEU A 43 12.785 -9.020 -4.195 1.00 0.81 C ATOM 702 O LEU A 43 13.510 -8.662 -3.267 1.00 0.90 O ATOM 703 CB LEU A 43 11.413 -7.235 -5.310 1.00 0.62 C ATOM 704 CG LEU A 43 10.349 -7.235 -6.421 1.00 0.64 C ATOM 705 CD1 LEU A 43 9.057 -7.897 -5.959 1.00 0.70 C ATOM 706 CD2 LEU A 43 10.068 -5.814 -6.884 1.00 0.80 C ATOM 0 H LEU A 43 10.685 -7.024 -2.967 1.00 0.63 H new ATOM 0 HA LEU A 43 10.738 -9.207 -4.772 1.00 0.68 H new ATOM 0 HB2 LEU A 43 11.298 -6.324 -4.723 1.00 0.62 H new ATOM 0 HB3 LEU A 43 12.397 -7.192 -5.776 1.00 0.62 H new ATOM 0 HG LEU A 43 10.744 -7.814 -7.256 1.00 0.64 H new ATOM 0 HD11 LEU A 43 8.329 -7.879 -6.770 1.00 0.70 H new ATOM 0 HD12 LEU A 43 9.259 -8.930 -5.676 1.00 0.70 H new ATOM 0 HD13 LEU A 43 8.658 -7.357 -5.101 1.00 0.70 H new ATOM 0 HD21 LEU A 43 9.313 -5.830 -7.670 1.00 0.80 H new ATOM 0 HD22 LEU A 43 9.704 -5.223 -6.044 1.00 0.80 H new ATOM 0 HD23 LEU A 43 10.985 -5.369 -7.270 1.00 0.80 H new ATOM 718 N PRO A 44 13.192 -9.936 -5.099 1.00 0.92 N ATOM 719 CA PRO A 44 12.372 -10.395 -6.215 1.00 0.99 C ATOM 720 C PRO A 44 11.490 -11.593 -5.862 1.00 1.15 C ATOM 721 O PRO A 44 10.798 -12.135 -6.724 1.00 1.43 O ATOM 722 CB PRO A 44 13.411 -10.783 -7.267 1.00 1.15 C ATOM 723 CG PRO A 44 14.667 -11.101 -6.510 1.00 1.25 C ATOM 724 CD PRO A 44 14.501 -10.597 -5.094 1.00 1.08 C ATOM 0 HA PRO A 44 11.668 -9.629 -6.541 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.077 -11.643 -7.847 1.00 1.15 H new ATOM 0 HB3 PRO A 44 13.576 -9.968 -7.972 1.00 1.15 H new ATOM 0 HG2 PRO A 44 14.852 -12.175 -6.513 1.00 1.25 H new ATOM 0 HG3 PRO A 44 15.527 -10.629 -6.984 1.00 1.25 H new ATOM 0 HD2 PRO A 44 14.532 -11.415 -4.374 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.297 -9.903 -4.822 1.00 1.08 H new ATOM 732 N ASN A 45 11.513 -12.003 -4.595 1.00 1.14 N ATOM 733 CA ASN A 45 10.705 -13.134 -4.151 1.00 1.33 C ATOM 734 C ASN A 45 9.247 -12.716 -3.983 1.00 1.43 C ATOM 735 O ASN A 45 8.434 -12.896 -4.889 1.00 2.42 O ATOM 736 CB ASN A 45 11.247 -13.693 -2.834 1.00 1.66 C ATOM 737 CG ASN A 45 12.118 -14.917 -3.043 1.00 1.93 C ATOM 738 OD1 ASN A 45 11.807 -16.005 -2.557 1.00 2.66 O ATOM 739 ND2 ASN A 45 13.214 -14.744 -3.772 1.00 1.89 N ATOM 0 H ASN A 45 12.078 -11.572 -3.864 1.00 1.14 H new ATOM 0 HA ASN A 45 10.759 -13.913 -4.911 1.00 1.33 H new ATOM 0 HB2 ASN A 45 11.825 -12.922 -2.325 1.00 1.66 H new ATOM 0 HB3 ASN A 45 10.413 -13.950 -2.181 1.00 1.66 H new ATOM 0 HD21 ASN A 45 13.838 -15.531 -3.949 1.00 1.89 H new ATOM 0 HD22 ASN A 45 13.432 -13.824 -4.155 1.00 1.89 H new ATOM 746 N GLY A 46 8.923 -12.153 -2.823 1.00 0.90 N ATOM 747 CA GLY A 46 7.564 -11.712 -2.569 1.00 1.12 C ATOM 748 C GLY A 46 6.887 -12.470 -1.442 1.00 0.76 C ATOM 749 O GLY A 46 7.322 -13.558 -1.064 1.00 0.96 O ATOM 0 H GLY A 46 9.576 -11.995 -2.056 1.00 0.90 H new ATOM 0 HA2 GLY A 46 7.574 -10.649 -2.328 1.00 1.12 H new ATOM 0 HA3 GLY A 46 6.976 -11.827 -3.480 1.00 1.12 H new ATOM 753 N ARG A 47 5.818 -11.881 -0.914 1.00 0.80 N ATOM 754 CA ARG A 47 5.050 -12.477 0.177 1.00 0.76 C ATOM 755 C ARG A 47 4.071 -11.455 0.745 1.00 0.85 C ATOM 756 O ARG A 47 4.079 -11.172 1.942 1.00 1.71 O ATOM 757 CB ARG A 47 5.979 -12.972 1.290 1.00 0.99 C ATOM 758 CG ARG A 47 6.981 -11.929 1.753 1.00 1.31 C ATOM 759 CD ARG A 47 6.550 -11.281 3.060 1.00 1.11 C ATOM 760 NE ARG A 47 7.691 -10.870 3.874 1.00 1.41 N ATOM 761 CZ ARG A 47 8.495 -11.721 4.502 1.00 1.71 C ATOM 762 NH1 ARG A 47 8.284 -13.028 4.411 1.00 2.41 N ATOM 763 NH2 ARG A 47 9.512 -11.267 5.223 1.00 2.03 N ATOM 0 H ARG A 47 5.460 -10.979 -1.229 1.00 0.80 H new ATOM 0 HA ARG A 47 4.497 -13.328 -0.220 1.00 0.76 H new ATOM 0 HB2 ARG A 47 5.376 -13.288 2.141 1.00 0.99 H new ATOM 0 HB3 ARG A 47 6.519 -13.851 0.938 1.00 0.99 H new ATOM 0 HG2 ARG A 47 7.958 -12.394 1.882 1.00 1.31 H new ATOM 0 HG3 ARG A 47 7.091 -11.163 0.985 1.00 1.31 H new ATOM 0 HD2 ARG A 47 5.927 -10.412 2.845 1.00 1.11 H new ATOM 0 HD3 ARG A 47 5.936 -11.981 3.626 1.00 1.11 H new ATOM 0 HE ARG A 47 7.881 -9.872 3.966 1.00 1.41 H new ATOM 0 HH11 ARG A 47 7.503 -13.381 3.858 1.00 2.41 H new ATOM 0 HH12 ARG A 47 8.903 -13.679 4.894 1.00 2.41 H new ATOM 0 HH21 ARG A 47 9.678 -10.263 5.296 1.00 2.03 H new ATOM 0 HH22 ARG A 47 10.128 -11.922 5.705 1.00 2.03 H new ATOM 777 N TRP A 48 3.239 -10.898 -0.133 1.00 0.50 N ATOM 778 CA TRP A 48 2.249 -9.890 0.248 1.00 0.43 C ATOM 779 C TRP A 48 1.637 -10.160 1.621 1.00 0.45 C ATOM 780 O TRP A 48 1.026 -11.204 1.850 1.00 0.65 O ATOM 781 CB TRP A 48 1.145 -9.808 -0.805 1.00 0.47 C ATOM 782 CG TRP A 48 1.678 -9.574 -2.181 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.741 -10.478 -3.199 1.00 0.52 C ATOM 784 CD2 TRP A 48 2.234 -8.356 -2.689 1.00 0.39 C ATOM 785 NE1 TRP A 48 2.301 -9.898 -4.310 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.612 -8.595 -4.022 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.448 -7.085 -2.146 1.00 0.36 C ATOM 788 CZ2 TRP A 48 3.191 -7.614 -4.819 1.00 0.41 C ATOM 789 CZ3 TRP A 48 3.024 -6.111 -2.940 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.389 -6.382 -4.264 1.00 0.38 C ATOM 0 H TRP A 48 3.231 -11.131 -1.126 1.00 0.50 H new ATOM 0 HA TRP A 48 2.774 -8.936 0.307 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.569 -10.734 -0.795 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.458 -9.003 -0.544 1.00 0.47 H new ATOM 0 HD1 TRP A 48 1.400 -11.501 -3.140 1.00 0.52 H new ATOM 0 HE1 TRP A 48 2.460 -10.362 -5.205 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.168 -6.869 -1.126 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 3.474 -7.819 -5.841 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.195 -5.126 -2.533 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.837 -5.600 -4.859 1.00 0.38 H new ATOM 801 N LEU A 49 1.808 -9.199 2.522 1.00 0.38 N ATOM 802 CA LEU A 49 1.281 -9.301 3.875 1.00 0.42 C ATOM 803 C LEU A 49 1.082 -7.908 4.464 1.00 0.36 C ATOM 804 O LEU A 49 1.978 -7.065 4.398 1.00 0.39 O ATOM 805 CB LEU A 49 2.229 -10.117 4.758 1.00 0.52 C ATOM 806 CG LEU A 49 1.619 -11.377 5.377 1.00 0.67 C ATOM 807 CD1 LEU A 49 0.547 -11.012 6.393 1.00 1.28 C ATOM 808 CD2 LEU A 49 1.044 -12.280 4.296 1.00 0.84 C ATOM 0 H LEU A 49 2.313 -8.333 2.335 1.00 0.38 H new ATOM 0 HA LEU A 49 0.318 -9.811 3.837 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.095 -10.406 4.163 1.00 0.52 H new ATOM 0 HB3 LEU A 49 2.593 -9.477 5.561 1.00 0.52 H new ATOM 0 HG LEU A 49 2.410 -11.920 5.894 1.00 0.67 H new ATOM 0 HD11 LEU A 49 0.126 -11.922 6.821 1.00 1.28 H new ATOM 0 HD12 LEU A 49 0.988 -10.408 7.186 1.00 1.28 H new ATOM 0 HD13 LEU A 49 -0.242 -10.444 5.901 1.00 1.28 H new ATOM 0 HD21 LEU A 49 0.615 -13.170 4.756 1.00 0.84 H new ATOM 0 HD22 LEU A 49 0.268 -11.744 3.749 1.00 0.84 H new ATOM 0 HD23 LEU A 49 1.836 -12.573 3.607 1.00 0.84 H new ATOM 820 N LYS A 50 -0.094 -7.667 5.032 1.00 0.40 N ATOM 821 CA LYS A 50 -0.398 -6.371 5.622 1.00 0.40 C ATOM 822 C LYS A 50 0.689 -5.955 6.607 1.00 0.47 C ATOM 823 O LYS A 50 0.917 -6.620 7.616 1.00 0.85 O ATOM 824 CB LYS A 50 -1.764 -6.401 6.311 1.00 0.59 C ATOM 825 CG LYS A 50 -1.891 -7.466 7.386 1.00 0.72 C ATOM 826 CD LYS A 50 -2.590 -6.923 8.620 1.00 1.03 C ATOM 827 CE LYS A 50 -4.094 -6.841 8.414 1.00 0.86 C ATOM 828 NZ LYS A 50 -4.842 -7.035 9.687 1.00 1.30 N ATOM 0 H LYS A 50 -0.849 -8.350 5.096 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.432 -5.633 4.821 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.956 -5.425 6.757 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.535 -6.565 5.559 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -2.449 -8.317 6.994 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -0.901 -7.832 7.658 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -2.373 -7.564 9.475 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -2.199 -5.933 8.856 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -4.349 -5.871 7.988 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -4.403 -7.598 7.693 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -5.864 -6.972 9.503 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -4.619 -7.971 10.082 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -4.567 -6.298 10.367 1.00 1.30 H new ATOM 842 N ALA A 51 1.362 -4.847 6.304 1.00 0.45 N ATOM 843 CA ALA A 51 2.428 -4.345 7.162 1.00 0.63 C ATOM 844 C ALA A 51 1.948 -3.174 8.013 1.00 0.55 C ATOM 845 O ALA A 51 2.279 -3.080 9.194 1.00 0.72 O ATOM 846 CB ALA A 51 3.630 -3.933 6.325 1.00 0.86 C ATOM 0 H ALA A 51 1.187 -4.282 5.473 1.00 0.45 H new ATOM 0 HA ALA A 51 2.725 -5.149 7.835 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.418 -3.560 6.979 1.00 0.86 H new ATOM 0 HB2 ALA A 51 3.998 -4.795 5.768 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.336 -3.149 5.627 1.00 0.86 H new ATOM 852 N ASN A 52 1.168 -2.281 7.405 1.00 0.42 N ATOM 853 CA ASN A 52 0.643 -1.113 8.109 1.00 0.43 C ATOM 854 C ASN A 52 0.103 -1.490 9.488 1.00 0.59 C ATOM 855 O ASN A 52 0.419 -0.845 10.487 1.00 1.60 O ATOM 856 CB ASN A 52 -0.458 -0.445 7.281 1.00 0.38 C ATOM 857 CG ASN A 52 -1.657 -1.350 7.075 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.533 -2.449 6.535 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.827 -0.891 7.505 1.00 0.62 N ATOM 0 H ASN A 52 0.886 -2.344 6.427 1.00 0.42 H new ATOM 0 HA ASN A 52 1.465 -0.411 8.248 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.778 0.470 7.779 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -0.054 -0.155 6.311 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.669 -1.456 7.393 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.884 0.026 7.947 1.00 0.62 H new ATOM 866 N PHE A 53 -0.712 -2.541 9.534 1.00 0.81 N ATOM 867 CA PHE A 53 -1.296 -3.009 10.790 1.00 0.82 C ATOM 868 C PHE A 53 -1.848 -1.848 11.612 1.00 0.84 C ATOM 869 O PHE A 53 -1.874 -1.903 12.843 1.00 1.20 O ATOM 870 CB PHE A 53 -0.258 -3.774 11.609 1.00 0.96 C ATOM 871 CG PHE A 53 -0.869 -4.738 12.581 1.00 1.15 C ATOM 872 CD1 PHE A 53 -1.866 -5.611 12.180 1.00 1.32 C ATOM 873 CD2 PHE A 53 -0.441 -4.772 13.898 1.00 1.68 C ATOM 874 CE1 PHE A 53 -2.427 -6.501 13.076 1.00 1.66 C ATOM 875 CE2 PHE A 53 -0.998 -5.658 14.798 1.00 2.08 C ATOM 876 CZ PHE A 53 -2.010 -6.525 14.375 1.00 1.96 C ATOM 0 H PHE A 53 -0.984 -3.086 8.716 1.00 0.81 H new ATOM 0 HA PHE A 53 -2.121 -3.677 10.542 1.00 0.82 H new ATOM 0 HB2 PHE A 53 0.401 -4.318 10.932 1.00 0.96 H new ATOM 0 HB3 PHE A 53 0.362 -3.062 12.154 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -2.209 -5.596 11.156 1.00 1.32 H new ATOM 0 HD2 PHE A 53 0.337 -4.098 14.224 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -3.199 -7.181 12.747 1.00 1.66 H new ATOM 0 HE2 PHE A 53 -0.655 -5.681 15.822 1.00 2.08 H new ATOM 0 HZ PHE A 53 -2.461 -7.213 15.075 1.00 1.96 H new ATOM 886 N SER A 54 -2.287 -0.799 10.927 1.00 0.79 N ATOM 887 CA SER A 54 -2.838 0.373 11.596 1.00 0.89 C ATOM 888 C SER A 54 -4.140 0.812 10.937 1.00 0.95 C ATOM 889 O SER A 54 -4.689 0.103 10.093 1.00 1.89 O ATOM 890 CB SER A 54 -1.829 1.523 11.576 1.00 1.00 C ATOM 891 OG SER A 54 -0.531 1.069 11.919 1.00 1.71 O ATOM 0 H SER A 54 -2.272 -0.736 9.909 1.00 0.79 H new ATOM 0 HA SER A 54 -3.048 0.103 12.631 1.00 0.89 H new ATOM 0 HB2 SER A 54 -1.809 1.976 10.585 1.00 1.00 H new ATOM 0 HB3 SER A 54 -2.143 2.298 12.275 1.00 1.00 H new ATOM 0 HG SER A 54 -0.115 0.647 11.138 1.00 1.71 H new ATOM 897 N ASN A 55 -4.630 1.984 11.326 1.00 0.75 N ATOM 898 CA ASN A 55 -5.869 2.516 10.772 1.00 0.69 C ATOM 899 C ASN A 55 -5.588 3.552 9.688 1.00 0.66 C ATOM 900 O ASN A 55 -5.485 4.746 9.968 1.00 1.05 O ATOM 901 CB ASN A 55 -6.719 3.137 11.882 1.00 0.84 C ATOM 902 CG ASN A 55 -7.973 3.804 11.349 1.00 1.11 C ATOM 903 OD1 ASN A 55 -8.144 5.018 11.470 1.00 1.87 O ATOM 904 ND2 ASN A 55 -8.858 3.013 10.755 1.00 0.83 N ATOM 0 H ASN A 55 -4.188 2.584 12.023 1.00 0.75 H new ATOM 0 HA ASN A 55 -6.418 1.690 10.319 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -6.999 2.363 12.597 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -6.123 3.871 12.424 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -9.720 3.406 10.377 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -8.676 2.012 10.677 1.00 0.83 H new ATOM 911 N ILE A 56 -5.467 3.087 8.449 1.00 0.40 N ATOM 912 CA ILE A 56 -5.203 3.974 7.321 1.00 0.33 C ATOM 913 C ILE A 56 -6.505 4.530 6.754 1.00 0.31 C ATOM 914 O ILE A 56 -6.939 4.142 5.670 1.00 0.53 O ATOM 915 CB ILE A 56 -4.430 3.247 6.203 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.182 2.569 6.771 1.00 0.43 C ATOM 917 CG2 ILE A 56 -4.049 4.221 5.099 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.356 1.847 5.726 1.00 0.69 C ATOM 0 H ILE A 56 -5.547 2.101 8.200 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.591 4.795 7.693 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.078 2.480 5.778 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.560 3.320 7.258 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.483 1.857 7.540 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.504 3.691 4.318 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.951 4.663 4.676 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.418 5.009 5.511 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.487 1.390 6.201 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.961 1.072 5.255 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -2.024 2.558 4.969 1.00 0.69 H new ATOM 930 N LEU A 57 -7.124 5.441 7.498 1.00 0.44 N ATOM 931 CA LEU A 57 -8.382 6.053 7.082 1.00 0.45 C ATOM 932 C LEU A 57 -8.214 6.854 5.794 1.00 0.42 C ATOM 933 O LEU A 57 -9.095 6.850 4.935 1.00 0.60 O ATOM 934 CB LEU A 57 -8.923 6.956 8.192 1.00 0.48 C ATOM 935 CG LEU A 57 -10.403 7.324 8.064 1.00 0.85 C ATOM 936 CD1 LEU A 57 -11.231 6.094 7.720 1.00 0.72 C ATOM 937 CD2 LEU A 57 -10.904 7.966 9.349 1.00 1.60 C ATOM 0 H LEU A 57 -6.773 5.773 8.396 1.00 0.44 H new ATOM 0 HA LEU A 57 -9.095 5.251 6.890 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -8.769 6.460 9.150 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.336 7.874 8.211 1.00 0.48 H new ATOM 0 HG LEU A 57 -10.511 8.046 7.255 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -12.281 6.375 7.633 1.00 0.72 H new ATOM 0 HD12 LEU A 57 -10.887 5.677 6.773 1.00 0.72 H new ATOM 0 HD13 LEU A 57 -11.119 5.348 8.507 1.00 0.72 H new ATOM 0 HD21 LEU A 57 -11.958 8.222 9.241 1.00 1.60 H new ATOM 0 HD22 LEU A 57 -10.783 7.267 10.176 1.00 1.60 H new ATOM 0 HD23 LEU A 57 -10.330 8.870 9.552 1.00 1.60 H new ATOM 949 N GLU A 58 -7.083 7.540 5.661 1.00 0.39 N ATOM 950 CA GLU A 58 -6.816 8.337 4.473 1.00 0.43 C ATOM 951 C GLU A 58 -5.885 7.591 3.528 1.00 0.51 C ATOM 952 O GLU A 58 -5.186 6.663 3.932 1.00 1.09 O ATOM 953 CB GLU A 58 -6.206 9.687 4.858 1.00 0.44 C ATOM 954 CG GLU A 58 -4.896 9.570 5.619 1.00 0.44 C ATOM 955 CD GLU A 58 -4.448 10.893 6.209 1.00 0.75 C ATOM 956 OE1 GLU A 58 -5.315 11.756 6.456 1.00 1.29 O ATOM 957 OE2 GLU A 58 -3.230 11.065 6.423 1.00 1.54 O ATOM 0 H GLU A 58 -6.340 7.559 6.360 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.762 8.515 3.962 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.040 10.272 3.953 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.922 10.239 5.467 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -5.008 8.838 6.419 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.123 9.194 4.949 1.00 0.44 H new ATOM 964 N ASN A 59 -5.878 8.002 2.267 1.00 0.31 N ATOM 965 CA ASN A 59 -5.028 7.367 1.266 1.00 0.28 C ATOM 966 C ASN A 59 -3.562 7.766 1.447 1.00 0.28 C ATOM 967 O ASN A 59 -2.679 7.211 0.793 1.00 0.49 O ATOM 968 CB ASN A 59 -5.480 7.705 -0.161 1.00 0.32 C ATOM 969 CG ASN A 59 -6.952 8.070 -0.267 1.00 0.86 C ATOM 970 OD1 ASN A 59 -7.468 8.864 0.520 1.00 1.75 O ATOM 971 ND2 ASN A 59 -7.634 7.494 -1.249 1.00 0.91 N ATOM 0 H ASN A 59 -6.449 8.769 1.913 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.123 6.291 1.413 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -4.881 8.536 -0.535 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -5.279 6.851 -0.808 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -8.624 7.704 -1.373 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -7.168 6.842 -1.879 1.00 0.91 H new ATOM 978 N GLU A 60 -3.304 8.720 2.339 1.00 0.29 N ATOM 979 CA GLU A 60 -1.943 9.170 2.599 1.00 0.29 C ATOM 980 C GLU A 60 -1.345 8.340 3.723 1.00 0.27 C ATOM 981 O GLU A 60 -1.595 8.601 4.899 1.00 0.35 O ATOM 982 CB GLU A 60 -1.930 10.656 2.968 1.00 0.34 C ATOM 983 CG GLU A 60 -0.617 11.352 2.651 1.00 0.49 C ATOM 984 CD GLU A 60 0.015 10.846 1.369 1.00 1.26 C ATOM 985 OE1 GLU A 60 -0.649 10.917 0.313 1.00 1.91 O ATOM 986 OE2 GLU A 60 1.170 10.379 1.420 1.00 2.05 O ATOM 0 H GLU A 60 -4.019 9.194 2.891 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.345 9.040 1.697 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.736 11.161 2.436 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.138 10.759 4.033 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.789 12.425 2.568 1.00 0.49 H new ATOM 0 HG3 GLU A 60 0.078 11.204 3.478 1.00 0.49 H new ATOM 993 N PHE A 61 -0.571 7.325 3.359 1.00 0.24 N ATOM 994 CA PHE A 61 0.034 6.450 4.354 1.00 0.24 C ATOM 995 C PHE A 61 1.499 6.157 4.042 1.00 0.24 C ATOM 996 O PHE A 61 1.976 6.398 2.934 1.00 0.25 O ATOM 997 CB PHE A 61 -0.763 5.142 4.433 1.00 0.28 C ATOM 998 CG PHE A 61 -0.103 4.067 5.248 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.277 4.026 6.622 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.684 3.099 4.646 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.320 3.043 7.378 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.287 2.109 5.400 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.133 2.079 6.742 1.00 0.48 C ATOM 0 H PHE A 61 -0.349 7.089 2.392 1.00 0.24 H new ATOM 0 HA PHE A 61 0.005 6.961 5.316 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.745 5.353 4.857 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.926 4.768 3.422 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.888 4.774 7.105 1.00 0.41 H new ATOM 0 HD2 PHE A 61 0.828 3.118 3.576 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.168 3.009 8.447 1.00 0.48 H new ATOM 0 HE2 PHE A 61 1.886 1.354 4.912 1.00 0.44 H new ATOM 0 HZ PHE A 61 1.630 1.320 7.327 1.00 0.48 H new ATOM 1013 N THR A 62 2.199 5.627 5.042 1.00 0.25 N ATOM 1014 CA THR A 62 3.603 5.281 4.911 1.00 0.27 C ATOM 1015 C THR A 62 3.816 3.812 5.236 1.00 0.29 C ATOM 1016 O THR A 62 3.460 3.349 6.318 1.00 0.35 O ATOM 1017 CB THR A 62 4.457 6.153 5.831 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.305 7.523 5.508 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.936 5.829 5.774 1.00 0.37 C ATOM 0 H THR A 62 1.806 5.428 5.962 1.00 0.25 H new ATOM 0 HA THR A 62 3.908 5.461 3.880 1.00 0.27 H new ATOM 0 HB THR A 62 4.097 5.940 6.838 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.858 8.064 6.109 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.479 6.487 6.452 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.093 4.792 6.071 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.301 5.974 4.757 1.00 0.37 H new ATOM 1027 N VAL A 63 4.393 3.080 4.291 1.00 0.31 N ATOM 1028 CA VAL A 63 4.640 1.662 4.481 1.00 0.36 C ATOM 1029 C VAL A 63 5.914 1.414 5.276 1.00 0.38 C ATOM 1030 O VAL A 63 7.005 1.804 4.861 1.00 0.50 O ATOM 1031 CB VAL A 63 4.725 0.933 3.131 1.00 0.44 C ATOM 1032 CG1 VAL A 63 4.745 -0.570 3.342 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.563 1.341 2.235 1.00 0.58 C ATOM 0 H VAL A 63 4.697 3.446 3.389 1.00 0.31 H new ATOM 0 HA VAL A 63 3.798 1.266 5.049 1.00 0.36 H new ATOM 0 HB VAL A 63 5.653 1.219 2.636 1.00 0.44 H new ATOM 0 HG11 VAL A 63 4.805 -1.072 2.376 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.610 -0.841 3.947 1.00 1.08 H new ATOM 0 HG13 VAL A 63 3.834 -0.878 3.855 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.637 0.817 1.282 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.622 1.082 2.720 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.598 2.416 2.061 1.00 0.58 H new ATOM 1043 N SER A 64 5.762 0.760 6.422 1.00 0.49 N ATOM 1044 CA SER A 64 6.894 0.452 7.284 1.00 0.55 C ATOM 1045 C SER A 64 7.195 -1.041 7.263 1.00 0.63 C ATOM 1046 O SER A 64 6.290 -1.867 7.160 1.00 0.99 O ATOM 1047 CB SER A 64 6.615 0.910 8.716 1.00 0.63 C ATOM 1048 OG SER A 64 5.223 1.036 8.950 1.00 1.33 O ATOM 0 H SER A 64 4.863 0.433 6.775 1.00 0.49 H new ATOM 0 HA SER A 64 7.765 0.988 6.906 1.00 0.55 H new ATOM 0 HB2 SER A 64 7.042 0.195 9.419 1.00 0.63 H new ATOM 0 HB3 SER A 64 7.105 1.867 8.897 1.00 0.63 H new ATOM 0 HG SER A 64 5.072 1.328 9.873 1.00 1.33 H new ATOM 1054 N GLY A 65 8.474 -1.378 7.359 1.00 0.71 N ATOM 1055 CA GLY A 65 8.876 -2.769 7.346 1.00 0.78 C ATOM 1056 C GLY A 65 9.971 -3.038 6.335 1.00 0.72 C ATOM 1057 O GLY A 65 10.673 -4.046 6.424 1.00 0.90 O ATOM 0 H GLY A 65 9.241 -0.711 7.446 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.223 -3.055 8.339 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.012 -3.393 7.118 1.00 0.78 H new ATOM 1061 N LEU A 66 10.120 -2.134 5.370 1.00 0.64 N ATOM 1062 CA LEU A 66 11.136 -2.282 4.344 1.00 0.65 C ATOM 1063 C LEU A 66 12.515 -2.430 4.977 1.00 0.59 C ATOM 1064 O LEU A 66 12.642 -2.484 6.202 1.00 0.65 O ATOM 1065 CB LEU A 66 11.102 -1.075 3.397 1.00 0.74 C ATOM 1066 CG LEU A 66 9.894 -1.010 2.445 1.00 0.89 C ATOM 1067 CD1 LEU A 66 8.645 -1.605 3.080 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.636 0.427 2.004 1.00 0.89 C ATOM 0 H LEU A 66 9.548 -1.294 5.281 1.00 0.64 H new ATOM 0 HA LEU A 66 10.928 -3.184 3.768 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.119 -0.165 3.997 1.00 0.74 H new ATOM 0 HB3 LEU A 66 12.013 -1.079 2.799 1.00 0.74 H new ATOM 0 HG LEU A 66 10.135 -1.609 1.567 1.00 0.89 H new ATOM 0 HD11 LEU A 66 7.814 -1.541 2.378 1.00 1.47 H new ATOM 0 HD12 LEU A 66 8.827 -2.650 3.332 1.00 1.47 H new ATOM 0 HD13 LEU A 66 8.398 -1.051 3.986 1.00 1.47 H new ATOM 0 HD21 LEU A 66 8.779 0.453 1.332 1.00 0.89 H new ATOM 0 HD22 LEU A 66 9.430 1.045 2.878 1.00 0.89 H new ATOM 0 HD23 LEU A 66 10.515 0.812 1.486 1.00 0.89 H new ATOM 1080 N THR A 67 13.543 -2.499 4.144 1.00 0.65 N ATOM 1081 CA THR A 67 14.908 -2.645 4.627 1.00 0.69 C ATOM 1082 C THR A 67 15.905 -2.165 3.581 1.00 0.72 C ATOM 1083 O THR A 67 15.700 -2.351 2.381 1.00 1.06 O ATOM 1084 CB THR A 67 15.191 -4.104 4.994 1.00 0.75 C ATOM 1085 OG1 THR A 67 14.215 -4.592 5.897 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.546 -4.312 5.635 1.00 0.99 C ATOM 0 H THR A 67 13.457 -2.456 3.129 1.00 0.65 H new ATOM 0 HA THR A 67 15.021 -2.029 5.519 1.00 0.69 H new ATOM 0 HB THR A 67 15.166 -4.646 4.049 1.00 0.75 H new ATOM 0 HG1 THR A 67 13.801 -3.840 6.369 1.00 0.96 H new ATOM 0 HG21 THR A 67 16.680 -5.368 5.869 1.00 0.99 H new ATOM 0 HG22 THR A 67 17.327 -3.991 4.946 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.608 -3.727 6.552 1.00 0.99 H new ATOM 1094 N GLU A 68 16.983 -1.547 4.044 1.00 0.66 N ATOM 1095 CA GLU A 68 18.013 -1.036 3.152 1.00 0.67 C ATOM 1096 C GLU A 68 18.485 -2.116 2.180 1.00 0.60 C ATOM 1097 O GLU A 68 18.822 -3.228 2.587 1.00 0.69 O ATOM 1098 CB GLU A 68 19.196 -0.508 3.962 1.00 0.76 C ATOM 1099 CG GLU A 68 19.242 1.009 4.047 1.00 0.96 C ATOM 1100 CD GLU A 68 19.984 1.501 5.275 1.00 1.32 C ATOM 1101 OE1 GLU A 68 20.061 0.746 6.266 1.00 1.91 O ATOM 1102 OE2 GLU A 68 20.487 2.645 5.244 1.00 1.89 O ATOM 0 H GLU A 68 17.167 -1.387 5.035 1.00 0.66 H new ATOM 0 HA GLU A 68 17.583 -0.220 2.571 1.00 0.67 H new ATOM 0 HB2 GLU A 68 19.149 -0.919 4.970 1.00 0.76 H new ATOM 0 HB3 GLU A 68 20.122 -0.867 3.514 1.00 0.76 H new ATOM 0 HG2 GLU A 68 19.723 1.405 3.153 1.00 0.96 H new ATOM 0 HG3 GLU A 68 18.225 1.400 4.061 1.00 0.96 H new ATOM 1109 N ASP A 69 18.510 -1.775 0.894 1.00 0.52 N ATOM 1110 CA ASP A 69 18.946 -2.707 -0.143 1.00 0.49 C ATOM 1111 C ASP A 69 17.915 -3.815 -0.367 1.00 0.44 C ATOM 1112 O ASP A 69 18.175 -4.985 -0.088 1.00 0.54 O ATOM 1113 CB ASP A 69 20.301 -3.315 0.230 1.00 0.59 C ATOM 1114 CG ASP A 69 21.280 -3.296 -0.926 1.00 1.06 C ATOM 1115 OD1 ASP A 69 21.322 -2.281 -1.653 1.00 1.87 O ATOM 1116 OD2 ASP A 69 22.007 -4.296 -1.106 1.00 1.66 O ATOM 0 H ASP A 69 18.233 -0.858 0.544 1.00 0.52 H new ATOM 0 HA ASP A 69 19.047 -2.149 -1.074 1.00 0.49 H new ATOM 0 HB2 ASP A 69 20.724 -2.765 1.070 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.156 -4.343 0.563 1.00 0.59 H new ATOM 1121 N ALA A 70 16.744 -3.436 -0.878 1.00 0.40 N ATOM 1122 CA ALA A 70 15.677 -4.395 -1.144 1.00 0.40 C ATOM 1123 C ALA A 70 14.488 -3.731 -1.826 1.00 0.35 C ATOM 1124 O ALA A 70 13.857 -2.839 -1.260 1.00 0.36 O ATOM 1125 CB ALA A 70 15.221 -5.052 0.146 1.00 0.49 C ATOM 0 H ALA A 70 16.512 -2.471 -1.115 1.00 0.40 H new ATOM 0 HA ALA A 70 16.079 -5.154 -1.815 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.425 -5.764 -0.070 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.061 -5.574 0.605 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.850 -4.290 0.831 1.00 0.49 H new ATOM 1131 N ALA A 71 14.174 -4.178 -3.038 1.00 0.33 N ATOM 1132 CA ALA A 71 13.044 -3.630 -3.774 1.00 0.30 C ATOM 1133 C ALA A 71 11.747 -4.051 -3.101 1.00 0.27 C ATOM 1134 O ALA A 71 11.554 -5.228 -2.799 1.00 0.36 O ATOM 1135 CB ALA A 71 13.077 -4.088 -5.224 1.00 0.34 C ATOM 0 H ALA A 71 14.684 -4.914 -3.527 1.00 0.33 H new ATOM 0 HA ALA A 71 13.107 -2.542 -3.768 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.224 -3.668 -5.758 1.00 0.34 H new ATOM 0 HB2 ALA A 71 14.001 -3.748 -5.692 1.00 0.34 H new ATOM 0 HB3 ALA A 71 13.029 -5.176 -5.263 1.00 0.34 H new ATOM 1141 N TYR A 72 10.866 -3.092 -2.842 1.00 0.24 N ATOM 1142 CA TYR A 72 9.608 -3.396 -2.174 1.00 0.24 C ATOM 1143 C TYR A 72 8.391 -2.843 -2.911 1.00 0.21 C ATOM 1144 O TYR A 72 8.291 -1.642 -3.158 1.00 0.23 O ATOM 1145 CB TYR A 72 9.630 -2.832 -0.756 1.00 0.30 C ATOM 1146 CG TYR A 72 10.523 -3.593 0.193 1.00 0.31 C ATOM 1147 CD1 TYR A 72 10.084 -4.757 0.815 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.810 -3.147 0.463 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.908 -5.451 1.680 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.637 -3.836 1.324 1.00 0.42 C ATOM 1151 CZ TYR A 72 12.152 -4.999 1.951 1.00 0.46 C ATOM 1152 OH TYR A 72 13.004 -5.678 2.790 1.00 0.56 O ATOM 0 H TYR A 72 10.997 -2.109 -3.081 1.00 0.24 H new ATOM 0 HA TYR A 72 9.515 -4.482 -2.160 1.00 0.24 H new ATOM 0 HB2 TYR A 72 9.959 -1.793 -0.794 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.614 -2.831 -0.361 1.00 0.30 H new ATOM 0 HD1 TYR A 72 9.087 -5.123 0.619 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.169 -2.245 -0.010 1.00 0.36 H new ATOM 0 HE1 TYR A 72 10.555 -6.361 2.143 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.642 -3.489 1.515 1.00 0.42 H new ATOM 0 HH TYR A 72 13.815 -5.929 2.300 1.00 0.56 H new ATOM 1162 N GLU A 73 7.454 -3.733 -3.227 1.00 0.21 N ATOM 1163 CA GLU A 73 6.218 -3.346 -3.899 1.00 0.21 C ATOM 1164 C GLU A 73 5.093 -3.336 -2.873 1.00 0.23 C ATOM 1165 O GLU A 73 5.073 -4.178 -1.974 1.00 0.32 O ATOM 1166 CB GLU A 73 5.893 -4.315 -5.037 1.00 0.25 C ATOM 1167 CG GLU A 73 6.876 -4.242 -6.193 1.00 0.65 C ATOM 1168 CD GLU A 73 6.232 -4.547 -7.532 1.00 0.68 C ATOM 1169 OE1 GLU A 73 5.044 -4.204 -7.711 1.00 1.50 O ATOM 1170 OE2 GLU A 73 6.915 -5.128 -8.400 1.00 1.32 O ATOM 0 H GLU A 73 7.528 -4.731 -3.027 1.00 0.21 H new ATOM 0 HA GLU A 73 6.334 -2.353 -4.333 1.00 0.21 H new ATOM 0 HB2 GLU A 73 5.880 -5.332 -4.645 1.00 0.25 H new ATOM 0 HB3 GLU A 73 4.890 -4.104 -5.409 1.00 0.25 H new ATOM 0 HG2 GLU A 73 7.318 -3.246 -6.226 1.00 0.65 H new ATOM 0 HG3 GLU A 73 7.689 -4.946 -6.017 1.00 0.65 H new ATOM 1177 N PHE A 74 4.170 -2.384 -2.972 1.00 0.22 N ATOM 1178 CA PHE A 74 3.080 -2.326 -1.972 1.00 0.28 C ATOM 1179 C PHE A 74 1.686 -2.151 -2.566 1.00 0.25 C ATOM 1180 O PHE A 74 1.351 -1.088 -3.085 1.00 0.30 O ATOM 1181 CB PHE A 74 3.305 -1.191 -0.960 1.00 0.39 C ATOM 1182 CG PHE A 74 4.694 -0.635 -0.948 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.708 -1.272 -0.257 1.00 0.42 C ATOM 1184 CD2 PHE A 74 4.981 0.527 -1.635 1.00 0.52 C ATOM 1185 CE1 PHE A 74 6.988 -0.755 -0.253 1.00 0.49 C ATOM 1186 CE2 PHE A 74 6.254 1.049 -1.636 1.00 0.60 C ATOM 1187 CZ PHE A 74 7.262 0.407 -0.942 1.00 0.53 C ATOM 0 H PHE A 74 4.141 -1.666 -3.696 1.00 0.22 H new ATOM 0 HA PHE A 74 3.117 -3.301 -1.485 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.606 -0.383 -1.178 1.00 0.39 H new ATOM 0 HB3 PHE A 74 3.066 -1.559 0.038 1.00 0.39 H new ATOM 0 HD1 PHE A 74 5.497 -2.182 0.285 1.00 0.42 H new ATOM 0 HD2 PHE A 74 4.197 1.033 -2.179 1.00 0.52 H new ATOM 0 HE1 PHE A 74 7.774 -1.260 0.289 1.00 0.49 H new ATOM 0 HE2 PHE A 74 6.465 1.959 -2.178 1.00 0.60 H new ATOM 0 HZ PHE A 74 8.262 0.815 -0.939 1.00 0.53 H new ATOM 1197 N ARG A 75 0.859 -3.187 -2.444 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.519 -3.129 -2.928 1.00 0.34 C ATOM 1199 C ARG A 75 -1.433 -2.833 -1.748 1.00 0.31 C ATOM 1200 O ARG A 75 -1.059 -3.084 -0.604 1.00 0.45 O ATOM 1201 CB ARG A 75 -0.933 -4.445 -3.593 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.321 -5.676 -2.950 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.152 -6.918 -3.221 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.520 -7.801 -4.197 1.00 0.87 N ATOM 1205 CZ ARG A 75 -0.912 -9.050 -4.424 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -1.933 -9.561 -3.748 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -0.285 -9.790 -5.329 1.00 1.87 N ATOM 0 H ARG A 75 1.118 -4.075 -2.015 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.599 -2.343 -3.679 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -2.019 -4.532 -3.560 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.647 -4.416 -4.644 1.00 0.46 H new ATOM 0 HG2 ARG A 75 0.689 -5.823 -3.332 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -0.236 -5.522 -1.874 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -1.306 -7.461 -2.288 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -2.136 -6.623 -3.584 1.00 1.08 H new ATOM 0 HE ARG A 75 0.267 -7.438 -4.735 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.419 -8.995 -3.052 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -2.232 -10.520 -3.924 1.00 2.11 H new ATOM 0 HH21 ARG A 75 0.499 -9.400 -5.852 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -0.587 -10.749 -5.502 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.620 -2.295 -2.001 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.520 -1.982 -0.893 1.00 0.39 C ATOM 1223 C VAL A 76 -4.898 -2.627 -1.046 1.00 0.31 C ATOM 1224 O VAL A 76 -5.604 -2.418 -2.031 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.648 -0.437 -0.652 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -3.375 0.352 -1.919 1.00 0.54 C ATOM 1227 CG2 VAL A 76 -5.005 -0.031 -0.067 1.00 0.47 C ATOM 0 H VAL A 76 -2.976 -2.071 -2.931 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.059 -2.420 -0.008 1.00 0.39 H new ATOM 0 HB VAL A 76 -2.886 -0.193 0.089 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -3.473 1.418 -1.712 1.00 0.54 H new ATOM 0 HG12 VAL A 76 -2.364 0.142 -2.268 1.00 0.54 H new ATOM 0 HG13 VAL A 76 -4.091 0.064 -2.688 1.00 0.54 H new ATOM 0 HG21 VAL A 76 -5.031 1.049 0.076 1.00 0.47 H new ATOM 0 HG22 VAL A 76 -5.800 -0.325 -0.753 1.00 0.47 H new ATOM 0 HG23 VAL A 76 -5.151 -0.528 0.892 1.00 0.47 H new ATOM 1237 N ILE A 77 -5.269 -3.383 -0.017 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.548 -4.041 0.056 1.00 0.31 C ATOM 1239 C ILE A 77 -7.377 -3.310 1.102 1.00 0.30 C ATOM 1240 O ILE A 77 -6.843 -2.907 2.136 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.387 -5.521 0.455 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.632 -6.281 -0.629 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.742 -6.148 0.701 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.015 -7.577 -0.155 1.00 0.42 C ATOM 0 H ILE A 77 -4.675 -3.551 0.795 1.00 0.33 H new ATOM 0 HA ILE A 77 -7.035 -4.016 -0.919 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.810 -5.575 1.378 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.315 -6.495 -1.451 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.845 -5.640 -1.027 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.614 -7.193 0.982 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -8.249 -5.615 1.506 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.341 -6.088 -0.207 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.496 -8.058 -0.984 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.305 -7.371 0.646 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.798 -8.239 0.215 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.660 -3.111 0.850 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.480 -2.392 1.819 1.00 0.30 C ATOM 1258 C ALA A 78 -10.925 -2.852 1.815 1.00 0.34 C ATOM 1259 O ALA A 78 -11.630 -2.708 0.824 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.409 -0.897 1.549 1.00 0.39 C ATOM 0 H ALA A 78 -9.148 -3.425 0.011 1.00 0.27 H new ATOM 0 HA ALA A 78 -9.077 -2.611 2.808 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -10.024 -0.366 2.276 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.376 -0.561 1.633 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.777 -0.691 0.544 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.370 -3.391 2.940 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.740 -3.849 3.052 1.00 0.43 C ATOM 1268 C LYS A 79 -13.684 -2.664 3.106 1.00 0.59 C ATOM 1269 O LYS A 79 -13.271 -1.522 2.912 1.00 1.31 O ATOM 1270 CB LYS A 79 -12.923 -4.729 4.284 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.664 -3.998 5.593 1.00 1.07 C ATOM 1272 CD LYS A 79 -13.723 -4.315 6.634 1.00 1.50 C ATOM 1273 CE LYS A 79 -13.718 -5.789 7.000 1.00 1.71 C ATOM 1274 NZ LYS A 79 -14.664 -6.090 8.109 1.00 1.98 N ATOM 0 H LYS A 79 -10.806 -3.520 3.780 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.973 -4.448 2.171 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -13.939 -5.124 4.292 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -12.250 -5.583 4.214 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.682 -4.276 5.977 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -12.643 -2.923 5.411 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -13.547 -3.716 7.528 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -14.705 -4.037 6.252 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -13.985 -6.381 6.125 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -12.711 -6.087 7.291 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -14.630 -7.106 8.328 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -14.395 -5.545 8.953 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -15.629 -5.830 7.822 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.955 -2.934 3.358 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.940 -1.873 3.418 1.00 0.70 C ATOM 1290 C ASN A 80 -16.867 -2.026 4.614 1.00 0.87 C ATOM 1291 O ASN A 80 -16.892 -3.063 5.273 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.759 -1.861 2.133 1.00 0.67 C ATOM 1293 CG ASN A 80 -16.048 -1.139 1.010 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -16.424 -0.030 0.629 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -15.012 -1.767 0.473 1.00 2.05 N ATOM 0 H ASN A 80 -15.324 -3.871 3.523 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.406 -0.930 3.530 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -16.969 -2.886 1.828 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -17.720 -1.381 2.321 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -14.491 -1.332 -0.288 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -14.736 -2.685 0.821 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.629 -0.974 4.878 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.583 -0.949 5.983 1.00 0.82 C ATOM 1304 C ALA A 81 -19.343 -2.270 6.108 1.00 0.88 C ATOM 1305 O ALA A 81 -19.530 -2.788 7.209 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.565 0.197 5.781 1.00 0.83 C ATOM 0 H ALA A 81 -17.605 -0.112 4.333 1.00 0.76 H new ATOM 0 HA ALA A 81 -18.024 -0.802 6.907 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -20.277 0.216 6.606 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -19.021 1.141 5.750 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -20.101 0.056 4.842 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.787 -2.801 4.973 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.538 -4.054 4.951 1.00 0.90 C ATOM 1314 C ALA A 82 -19.632 -5.266 5.135 1.00 0.88 C ATOM 1315 O ALA A 82 -20.101 -6.356 5.466 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.315 -4.170 3.650 1.00 0.94 C ATOM 0 H ALA A 82 -19.640 -2.383 4.054 1.00 0.81 H new ATOM 0 HA ALA A 82 -21.234 -4.038 5.790 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.872 -5.107 3.641 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -22.009 -3.334 3.565 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.622 -4.153 2.809 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.339 -5.077 4.917 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.400 -6.171 5.062 1.00 0.86 C ATOM 1324 C GLY A 83 -16.771 -6.562 3.739 1.00 0.78 C ATOM 1325 O GLY A 83 -15.745 -7.240 3.712 1.00 0.93 O ATOM 0 H GLY A 83 -17.923 -4.187 4.643 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -16.617 -5.886 5.765 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -17.912 -7.034 5.488 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.384 -6.130 2.638 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.867 -6.440 1.308 1.00 0.78 C ATOM 1331 C ALA A 84 -15.383 -6.108 1.225 1.00 0.76 C ATOM 1332 O ALA A 84 -14.977 -4.977 1.491 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.638 -5.675 0.243 1.00 0.92 C ATOM 0 H ALA A 84 -18.235 -5.567 2.641 1.00 0.72 H new ATOM 0 HA ALA A 84 -16.997 -7.507 1.129 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.238 -5.919 -0.741 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.691 -5.953 0.286 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.538 -4.604 0.420 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.573 -7.098 0.870 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.138 -6.891 0.778 1.00 0.40 C ATOM 1341 C ILE A 85 -12.703 -6.389 -0.594 1.00 0.38 C ATOM 1342 O ILE A 85 -12.725 -7.130 -1.577 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.347 -8.175 1.122 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.869 -7.836 1.347 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.497 -9.221 0.023 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.553 -7.426 2.770 1.00 0.79 C ATOM 0 H ILE A 85 -14.884 -8.043 0.644 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.909 -6.120 1.514 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.756 -8.596 2.041 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.262 -8.702 1.083 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.583 -7.029 0.673 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -11.931 -10.113 0.290 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.550 -9.480 -0.092 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.118 -8.819 -0.916 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.490 -7.201 2.856 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -11.134 -6.541 3.031 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.807 -8.240 3.448 1.00 0.79 H new ATOM 1358 N SER A 86 -12.282 -5.132 -0.654 1.00 0.39 N ATOM 1359 CA SER A 86 -11.814 -4.574 -1.912 1.00 0.45 C ATOM 1360 C SER A 86 -10.504 -5.264 -2.269 1.00 0.44 C ATOM 1361 O SER A 86 -9.481 -5.018 -1.624 1.00 0.43 O ATOM 1362 CB SER A 86 -11.609 -3.061 -1.809 1.00 0.54 C ATOM 1363 OG SER A 86 -10.350 -2.752 -1.234 1.00 0.59 O ATOM 0 H SER A 86 -12.255 -4.491 0.139 1.00 0.39 H new ATOM 0 HA SER A 86 -12.561 -4.743 -2.688 1.00 0.45 H new ATOM 0 HB2 SER A 86 -11.679 -2.614 -2.801 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.404 -2.624 -1.206 1.00 0.54 H new ATOM 0 HG SER A 86 -9.640 -3.199 -1.741 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.510 -6.154 -3.280 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.313 -6.890 -3.684 1.00 0.61 C ATOM 1371 C PRO A 87 -8.082 -5.999 -3.801 1.00 0.54 C ATOM 1372 O PRO A 87 -8.193 -4.791 -4.004 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.693 -7.510 -5.037 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.010 -6.908 -5.402 1.00 0.74 C ATOM 1375 CD PRO A 87 -11.665 -6.530 -4.107 1.00 0.59 C ATOM 0 HA PRO A 87 -9.031 -7.636 -2.941 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -8.939 -7.291 -5.793 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.765 -8.595 -4.964 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -10.876 -6.035 -6.041 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.623 -7.618 -5.957 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.365 -5.704 -4.230 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.224 -7.360 -3.675 1.00 0.59 H new ATOM 1383 N PRO A 88 -6.884 -6.595 -3.660 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.613 -5.874 -3.732 1.00 0.56 C ATOM 1385 C PRO A 88 -5.537 -4.897 -4.890 1.00 0.48 C ATOM 1386 O PRO A 88 -5.793 -5.251 -6.041 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.563 -6.983 -3.905 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.332 -8.258 -4.058 1.00 0.76 C ATOM 1389 CD PRO A 88 -6.665 -8.023 -3.410 1.00 0.72 C ATOM 0 HA PRO A 88 -5.467 -5.261 -2.843 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -3.939 -6.797 -4.779 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -3.898 -7.029 -3.042 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.451 -8.517 -5.110 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -4.809 -9.088 -3.583 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.447 -8.639 -3.854 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -6.646 -8.251 -2.344 1.00 0.72 H new ATOM 1397 N SER A 89 -5.165 -3.664 -4.570 1.00 0.43 N ATOM 1398 CA SER A 89 -5.031 -2.625 -5.577 1.00 0.42 C ATOM 1399 C SER A 89 -3.571 -2.495 -5.996 1.00 0.35 C ATOM 1400 O SER A 89 -2.743 -2.021 -5.214 1.00 0.51 O ATOM 1401 CB SER A 89 -5.561 -1.290 -5.047 1.00 0.56 C ATOM 1402 OG SER A 89 -4.510 -0.467 -4.570 1.00 1.28 O ATOM 0 H SER A 89 -4.951 -3.361 -3.620 1.00 0.43 H new ATOM 0 HA SER A 89 -5.624 -2.901 -6.449 1.00 0.42 H new ATOM 0 HB2 SER A 89 -6.100 -0.771 -5.839 1.00 0.56 H new ATOM 0 HB3 SER A 89 -6.274 -1.474 -4.243 1.00 0.56 H new ATOM 0 HG SER A 89 -3.768 -1.029 -4.263 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.293 -2.936 -7.235 1.00 0.38 N ATOM 1409 CA GLU A 90 -1.952 -2.919 -7.863 1.00 0.37 C ATOM 1410 C GLU A 90 -0.844 -2.377 -6.950 1.00 0.34 C ATOM 1411 O GLU A 90 -0.896 -1.228 -6.516 1.00 0.44 O ATOM 1412 CB GLU A 90 -1.997 -2.096 -9.150 1.00 0.49 C ATOM 1413 CG GLU A 90 -2.504 -2.877 -10.353 1.00 0.90 C ATOM 1414 CD GLU A 90 -1.919 -2.380 -11.660 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -0.701 -2.107 -11.697 1.00 1.76 O ATOM 1416 OE2 GLU A 90 -2.678 -2.262 -12.644 1.00 1.77 O ATOM 0 H GLU A 90 -4.011 -3.325 -7.847 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.700 -3.959 -8.072 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -2.637 -1.228 -8.994 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -0.997 -1.720 -9.366 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -2.258 -3.931 -10.227 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -3.591 -2.806 -10.396 1.00 0.90 H new ATOM 1423 N PRO A 91 0.178 -3.198 -6.644 1.00 0.30 N ATOM 1424 CA PRO A 91 1.283 -2.785 -5.775 1.00 0.29 C ATOM 1425 C PRO A 91 2.095 -1.617 -6.326 1.00 0.31 C ATOM 1426 O PRO A 91 2.381 -1.552 -7.521 1.00 0.55 O ATOM 1427 CB PRO A 91 2.167 -4.032 -5.679 1.00 0.36 C ATOM 1428 CG PRO A 91 1.306 -5.166 -6.117 1.00 0.36 C ATOM 1429 CD PRO A 91 0.336 -4.587 -7.107 1.00 0.39 C ATOM 0 HA PRO A 91 0.901 -2.430 -4.818 1.00 0.29 H new ATOM 0 HB2 PRO A 91 3.047 -3.939 -6.315 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.525 -4.182 -4.660 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.903 -5.957 -6.571 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.782 -5.609 -5.270 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.724 -4.631 -8.125 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -0.613 -5.124 -7.104 1.00 0.39 H new ATOM 1437 N SER A 92 2.476 -0.705 -5.434 1.00 0.27 N ATOM 1438 CA SER A 92 3.273 0.450 -5.808 1.00 0.31 C ATOM 1439 C SER A 92 4.624 -0.022 -6.310 1.00 0.27 C ATOM 1440 O SER A 92 5.168 -1.006 -5.795 1.00 0.24 O ATOM 1441 CB SER A 92 3.450 1.399 -4.609 1.00 0.39 C ATOM 1442 OG SER A 92 4.814 1.726 -4.386 1.00 1.23 O ATOM 0 H SER A 92 2.241 -0.749 -4.442 1.00 0.27 H new ATOM 0 HA SER A 92 2.761 0.999 -6.598 1.00 0.31 H new ATOM 0 HB2 SER A 92 2.882 2.313 -4.783 1.00 0.39 H new ATOM 0 HB3 SER A 92 3.038 0.933 -3.714 1.00 0.39 H new ATOM 0 HG SER A 92 5.162 1.190 -3.643 1.00 1.23 H new ATOM 1448 N ASP A 93 5.154 0.686 -7.308 1.00 0.33 N ATOM 1449 CA ASP A 93 6.445 0.358 -7.904 1.00 0.36 C ATOM 1450 C ASP A 93 7.461 -0.057 -6.849 1.00 0.32 C ATOM 1451 O ASP A 93 7.601 0.587 -5.810 1.00 0.56 O ATOM 1452 CB ASP A 93 6.984 1.546 -8.697 1.00 0.45 C ATOM 1453 CG ASP A 93 6.008 2.033 -9.750 1.00 0.89 C ATOM 1454 OD1 ASP A 93 5.038 2.730 -9.385 1.00 1.55 O ATOM 1455 OD2 ASP A 93 6.213 1.717 -10.941 1.00 1.63 O ATOM 0 H ASP A 93 4.701 1.500 -7.723 1.00 0.33 H new ATOM 0 HA ASP A 93 6.288 -0.486 -8.576 1.00 0.36 H new ATOM 0 HB2 ASP A 93 7.211 2.363 -8.012 1.00 0.45 H new ATOM 0 HB3 ASP A 93 7.920 1.263 -9.178 1.00 0.45 H new ATOM 1460 N ALA A 94 8.167 -1.140 -7.134 1.00 0.33 N ATOM 1461 CA ALA A 94 9.174 -1.660 -6.225 1.00 0.28 C ATOM 1462 C ALA A 94 10.279 -0.638 -5.981 1.00 0.29 C ATOM 1463 O ALA A 94 10.880 -0.126 -6.925 1.00 0.41 O ATOM 1464 CB ALA A 94 9.780 -2.931 -6.789 1.00 0.34 C ATOM 0 H ALA A 94 8.059 -1.678 -7.994 1.00 0.33 H new ATOM 0 HA ALA A 94 8.685 -1.876 -5.275 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.533 -3.312 -6.100 1.00 0.34 H new ATOM 0 HB2 ALA A 94 8.998 -3.679 -6.922 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.244 -2.717 -7.752 1.00 0.34 H new ATOM 1470 N ILE A 95 10.552 -0.357 -4.714 1.00 0.25 N ATOM 1471 CA ILE A 95 11.599 0.591 -4.357 1.00 0.28 C ATOM 1472 C ILE A 95 12.787 -0.135 -3.738 1.00 0.26 C ATOM 1473 O ILE A 95 12.675 -0.717 -2.660 1.00 0.25 O ATOM 1474 CB ILE A 95 11.090 1.658 -3.371 1.00 0.33 C ATOM 1475 CG1 ILE A 95 9.812 2.303 -3.904 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.161 2.712 -3.133 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.552 1.707 -3.320 1.00 0.44 C ATOM 0 H ILE A 95 10.065 -0.770 -3.919 1.00 0.25 H new ATOM 0 HA ILE A 95 11.908 1.089 -5.276 1.00 0.28 H new ATOM 0 HB ILE A 95 10.864 1.176 -2.420 1.00 0.33 H new ATOM 0 HG12 ILE A 95 9.835 3.371 -3.687 1.00 0.41 H new ATOM 0 HG13 ILE A 95 9.786 2.199 -4.989 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.787 3.460 -2.434 1.00 0.41 H new ATOM 0 HG22 ILE A 95 13.051 2.239 -2.717 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.414 3.193 -4.078 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.682 2.211 -3.741 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.507 0.645 -3.559 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.557 1.835 -2.238 1.00 0.44 H new ATOM 1489 N THR A 96 13.925 -0.101 -4.428 1.00 0.29 N ATOM 1490 CA THR A 96 15.132 -0.763 -3.944 1.00 0.32 C ATOM 1491 C THR A 96 15.396 -0.419 -2.484 1.00 0.32 C ATOM 1492 O THR A 96 15.811 -1.268 -1.701 1.00 0.38 O ATOM 1493 CB THR A 96 16.337 -0.368 -4.798 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.174 -0.812 -6.132 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.645 -0.930 -4.281 1.00 0.43 C ATOM 0 H THR A 96 14.036 0.377 -5.322 1.00 0.29 H new ATOM 0 HA THR A 96 14.978 -1.839 -4.022 1.00 0.32 H new ATOM 0 HB THR A 96 16.383 0.720 -4.749 1.00 0.37 H new ATOM 0 HG1 THR A 96 16.955 -0.548 -6.662 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.460 -0.613 -4.932 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.824 -0.564 -3.270 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.594 -2.019 -4.269 1.00 0.43 H new ATOM 1503 N CYS A 97 15.150 0.832 -2.123 1.00 0.32 N ATOM 1504 CA CYS A 97 15.361 1.278 -0.753 1.00 0.36 C ATOM 1505 C CYS A 97 16.820 1.106 -0.344 1.00 0.43 C ATOM 1506 O CYS A 97 17.133 0.312 0.540 1.00 0.64 O ATOM 1507 CB CYS A 97 14.461 0.491 0.202 1.00 0.38 C ATOM 1508 SG CYS A 97 12.693 0.679 -0.123 1.00 1.10 S ATOM 0 H CYS A 97 14.806 1.554 -2.756 1.00 0.32 H new ATOM 0 HA CYS A 97 15.107 2.337 -0.698 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.720 -0.566 0.140 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.667 0.810 1.224 1.00 0.38 H new ATOM 0 HG CYS A 97 12.402 0.135 -1.267 1.00 1.10 H new ATOM 1514 N ARG A 98 17.707 1.854 -0.987 1.00 0.53 N ATOM 1515 CA ARG A 98 19.131 1.782 -0.680 1.00 0.63 C ATOM 1516 C ARG A 98 19.582 3.036 0.063 1.00 0.80 C ATOM 1517 O ARG A 98 19.541 3.089 1.291 1.00 1.04 O ATOM 1518 CB ARG A 98 19.953 1.578 -1.959 1.00 0.68 C ATOM 1519 CG ARG A 98 19.340 2.216 -3.197 1.00 0.74 C ATOM 1520 CD ARG A 98 20.413 2.674 -4.171 1.00 0.92 C ATOM 1521 NE ARG A 98 21.024 1.552 -4.879 1.00 1.64 N ATOM 1522 CZ ARG A 98 20.395 0.836 -5.803 1.00 2.31 C ATOM 1523 NH1 ARG A 98 19.142 1.123 -6.128 1.00 3.00 N ATOM 1524 NH2 ARG A 98 21.017 -0.168 -6.406 1.00 2.68 N ATOM 0 H ARG A 98 17.467 2.517 -1.724 1.00 0.53 H new ATOM 0 HA ARG A 98 19.300 0.923 -0.031 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.951 1.990 -1.807 1.00 0.68 H new ATOM 0 HB3 ARG A 98 20.073 0.509 -2.135 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.681 1.501 -3.689 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.725 3.067 -2.904 1.00 0.74 H new ATOM 0 HD2 ARG A 98 19.976 3.364 -4.893 1.00 0.92 H new ATOM 0 HD3 ARG A 98 21.183 3.224 -3.630 1.00 0.92 H new ATOM 0 HE ARG A 98 21.987 1.305 -4.651 1.00 1.64 H new ATOM 0 HH11 ARG A 98 18.660 1.895 -5.668 1.00 3.00 H new ATOM 0 HH12 ARG A 98 18.660 0.572 -6.838 1.00 3.00 H new ATOM 0 HH21 ARG A 98 21.981 -0.392 -6.160 1.00 2.68 H new ATOM 0 HH22 ARG A 98 20.531 -0.716 -7.116 1.00 2.68 H new ATOM 1538 N ASP A 99 19.997 4.048 -0.686 1.00 0.92 N ATOM 1539 CA ASP A 99 20.438 5.304 -0.098 1.00 1.20 C ATOM 1540 C ASP A 99 19.347 6.370 -0.222 1.00 1.03 C ATOM 1541 O ASP A 99 19.602 7.554 -0.009 1.00 1.20 O ATOM 1542 CB ASP A 99 21.717 5.788 -0.783 1.00 1.61 C ATOM 1543 CG ASP A 99 21.573 5.874 -2.289 1.00 1.71 C ATOM 1544 OD1 ASP A 99 21.167 6.946 -2.787 1.00 2.14 O ATOM 1545 OD2 ASP A 99 21.866 4.870 -2.972 1.00 2.08 O ATOM 0 H ASP A 99 20.037 4.023 -1.705 1.00 0.92 H new ATOM 0 HA ASP A 99 20.642 5.134 0.959 1.00 1.20 H new ATOM 0 HB2 ASP A 99 21.986 6.769 -0.391 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.535 5.111 -0.538 1.00 1.61 H new ATOM 1550 N ASP A 100 18.132 5.941 -0.575 1.00 0.85 N ATOM 1551 CA ASP A 100 17.004 6.853 -0.735 1.00 0.92 C ATOM 1552 C ASP A 100 17.382 8.052 -1.604 1.00 1.22 C ATOM 1553 O ASP A 100 16.782 9.121 -1.500 1.00 1.38 O ATOM 1554 CB ASP A 100 16.496 7.318 0.633 1.00 0.87 C ATOM 1555 CG ASP A 100 15.191 6.656 1.036 1.00 1.32 C ATOM 1556 OD1 ASP A 100 15.236 5.514 1.542 1.00 2.06 O ATOM 1557 OD2 ASP A 100 14.126 7.279 0.845 1.00 2.03 O ATOM 0 H ASP A 100 17.907 4.963 -0.755 1.00 0.85 H new ATOM 0 HA ASP A 100 16.203 6.314 -1.240 1.00 0.92 H new ATOM 0 HB2 ASP A 100 17.253 7.105 1.387 1.00 0.87 H new ATOM 0 HB3 ASP A 100 16.359 8.399 0.615 1.00 0.87 H new ATOM 1562 N VAL A 101 18.380 7.860 -2.459 1.00 1.43 N ATOM 1563 CA VAL A 101 18.841 8.919 -3.351 1.00 1.90 C ATOM 1564 C VAL A 101 18.974 8.435 -4.799 1.00 2.23 C ATOM 1565 O VAL A 101 19.215 9.237 -5.702 1.00 2.80 O ATOM 1566 CB VAL A 101 20.198 9.487 -2.892 1.00 2.20 C ATOM 1567 CG1 VAL A 101 20.541 10.747 -3.674 1.00 2.67 C ATOM 1568 CG2 VAL A 101 20.184 9.765 -1.397 1.00 2.22 C ATOM 0 H VAL A 101 18.886 6.980 -2.554 1.00 1.43 H new ATOM 0 HA VAL A 101 18.083 9.702 -3.309 1.00 1.90 H new ATOM 0 HB VAL A 101 20.969 8.742 -3.091 1.00 2.20 H new ATOM 0 HG11 VAL A 101 21.502 11.134 -3.337 1.00 2.67 H new ATOM 0 HG12 VAL A 101 20.597 10.512 -4.737 1.00 2.67 H new ATOM 0 HG13 VAL A 101 19.769 11.499 -3.509 1.00 2.67 H new ATOM 0 HG21 VAL A 101 21.151 10.165 -1.092 1.00 2.22 H new ATOM 0 HG22 VAL A 101 19.403 10.490 -1.169 1.00 2.22 H new ATOM 0 HG23 VAL A 101 19.988 8.839 -0.857 1.00 2.22 H new ATOM 1578 N GLU A 102 18.811 7.125 -5.023 1.00 1.99 N ATOM 1579 CA GLU A 102 18.908 6.547 -6.360 1.00 2.40 C ATOM 1580 C GLU A 102 20.032 7.180 -7.183 1.00 2.00 C ATOM 1581 O GLU A 102 19.803 8.096 -7.971 1.00 2.49 O ATOM 1582 CB GLU A 102 17.569 6.694 -7.076 1.00 3.22 C ATOM 1583 CG GLU A 102 17.041 8.119 -7.102 1.00 3.87 C ATOM 1584 CD GLU A 102 17.950 9.089 -6.374 1.00 4.18 C ATOM 1585 OE1 GLU A 102 19.075 9.328 -6.862 1.00 4.47 O ATOM 1586 OE2 GLU A 102 17.538 9.611 -5.316 1.00 4.58 O ATOM 0 H GLU A 102 18.611 6.446 -4.288 1.00 1.99 H new ATOM 0 HA GLU A 102 19.153 5.490 -6.253 1.00 2.40 H new ATOM 0 HB2 GLU A 102 17.674 6.337 -8.100 1.00 3.22 H new ATOM 0 HB3 GLU A 102 16.834 6.053 -6.588 1.00 3.22 H new ATOM 0 HG2 GLU A 102 16.926 8.441 -8.137 1.00 3.87 H new ATOM 0 HG3 GLU A 102 16.050 8.144 -6.648 1.00 3.87 H new ATOM 1593 N ALA A 103 21.248 6.680 -6.991 1.00 1.84 N ATOM 1594 CA ALA A 103 22.410 7.190 -7.711 1.00 2.56 C ATOM 1595 C ALA A 103 22.748 8.612 -7.274 1.00 3.21 C ATOM 1596 O ALA A 103 22.703 8.882 -6.056 1.00 3.72 O ATOM 1597 CB ALA A 103 22.165 7.141 -9.212 1.00 3.26 C ATOM 1598 OXT ALA A 103 23.055 9.443 -8.154 1.00 3.79 O ATOM 0 H ALA A 103 21.455 5.921 -6.342 1.00 1.84 H new ATOM 0 HA ALA A 103 23.262 6.553 -7.472 1.00 2.56 H new ATOM 0 HB1 ALA A 103 23.040 7.525 -9.736 1.00 3.26 H new ATOM 0 HB2 ALA A 103 21.982 6.111 -9.517 1.00 3.26 H new ATOM 0 HB3 ALA A 103 21.297 7.753 -9.459 1.00 3.26 H new TER 1604 ALA A 103