USER MOD reduce.3.24.130724 H: found=0, std=0, add=1443, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1445 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: B 55 SER OG : rot -115:sc= 1.86 USER MOD Set 1.2: B 85 LYS NZ :NH3+ 144:sc= 1.63 (180deg=-0.784!) USER MOD Set 2.1: B 36 ASN : amide:sc= 1.02 K(o=4.6,f=-7.7!) USER MOD Set 2.2: B 39 LYS NZ :NH3+ -147:sc= 2.36 (180deg=0.0931) USER MOD Set 2.3: B 67 GLN : amide:sc= 1.19 K(o=4.6,f=-3.7!) USER MOD Set 3.1: A 12 SER OG : rot -100:sc= 0.607 USER MOD Set 3.2: B 12 SER OG : rot -104:sc= 0.688 USER MOD Set 3.3: B 15 THR OG1 : rot 83:sc= 1.23 USER MOD Set 4.1: A 55 SER OG : rot -170:sc= 1.14 USER MOD Set 4.2: A 85 LYS NZ :NH3+ 179:sc= 1.5 (180deg=0.394) USER MOD Set 5.1: A 66 ASN : amide:sc= -0.391 K(o=0.6,f=-1.9) USER MOD Set 5.2: A 69 SER OG : rot 89:sc= 0.989 USER MOD Set 6.1: A 36 ASN : amide:sc= 1.02 K(o=2.9,f=-9.3!) USER MOD Set 6.2: A 39 LYS NZ :NH3+ 174:sc= 2.06 (180deg=1.11) USER MOD Set 6.3: A 67 GLN : amide:sc= -0.16! C(o=2.9!,f=-5.6!) USER MOD Single : A 7 THR OG1 : rot 105:sc= 1.25 USER MOD Single : A 15 THR OG1 : rot 73:sc= 1.17 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 77:sc= 1.3 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -66:sc= 1.51 USER MOD Single : A 34 SER OG : rot 156:sc= 1.24 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 45 GLN : amide:sc= -0.196 K(o=-0.2,f=-0.87) USER MOD Single : A 48 HIS : +bothHN:sc= -0.909 K(o=-0.91,f=-8!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -176:sc= -0.898 (180deg=-1.43) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 143:sc= 0.686! (180deg=-0.558!) USER MOD Single : A 62 SER OG : rot 70:sc= 2.08 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.077) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -163:sc= 2.3 (180deg=1.12) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -163:sc= 1.01 (180deg=-0.0535) USER MOD Single : A 94 LYS NZ :NH3+ -179:sc= 2.12 (180deg=2.07) USER MOD Single : B 7 THR OG1 : rot 60:sc= 1.25 USER MOD Single : B 18 THR OG1 : rot 85:sc= 0.982 USER MOD Single : B 19 THR OG1 : rot 84:sc= 1.18 USER MOD Single : B 22 THR OG1 : rot 79:sc= 0.964 USER MOD Single : B 30 LYS NZ :NH3+ 178:sc= -1.22! (180deg=-1.24!) USER MOD Single : B 32 SER OG : rot 104:sc= 0.574 USER MOD Single : B 34 SER OG : rot 180:sc= 0 USER MOD Single : B 43 THR OG1 : rot 129:sc= 1.21 USER MOD Single : B 44 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : B 45 GLN : amide:sc= -0.438 K(o=-0.44,f=-2.8!) USER MOD Single : B 48 HIS : no HE2:sc= 0.0438 K(o=0.044,f=-1.2) USER MOD Single : B 51 LYS NZ :NH3+ -151:sc= -0.289 (180deg=-0.92) USER MOD Single : B 59 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0547) USER MOD Single : B 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 169:sc= 0.408 (180deg=-0.596) USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 66 ASN : amide:sc= -0.0056 X(o=-0.0056,f=-0.27) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ -176:sc= 0.25 (180deg=-0.216) USER MOD Single : B 74 ASN : amide:sc= -0.274 X(o=-0.27,f=-0.6) USER MOD Single : B 76 TYR OH : rot 166:sc= 0 USER MOD Single : B 89 LYS NZ :NH3+ -110:sc= -0.0411 (180deg=-5.01!) USER MOD Single : B 90 LYS NZ :NH3+ 159:sc= 1.21 (180deg=1.09) USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 -15.137 -12.549 8.319 1.00 1.62 N ATOM 41 CA GLU A 4 -15.410 -11.455 7.393 1.00 1.38 C ATOM 42 C GLU A 4 -15.171 -11.854 5.940 1.00 1.22 C ATOM 43 O GLU A 4 -14.365 -12.748 5.683 1.00 1.19 O ATOM 44 CB GLU A 4 -14.604 -10.205 7.754 1.00 1.33 C ATOM 45 CG GLU A 4 -13.096 -10.357 7.636 1.00 1.55 C ATOM 46 CD GLU A 4 -12.394 -9.100 8.124 1.00 3.00 C ATOM 47 OE1 GLU A 4 -12.951 -8.008 7.885 1.00 4.14 O ATOM 48 OE2 GLU A 4 -11.367 -9.276 8.809 1.00 3.90 O ATOM 0 HA GLU A 4 -16.469 -11.218 7.493 1.00 1.38 H new ATOM 0 HB2 GLU A 4 -14.923 -9.386 7.109 1.00 1.33 H new ATOM 0 HB3 GLU A 4 -14.846 -9.918 8.777 1.00 1.33 H new ATOM 0 HG2 GLU A 4 -12.764 -11.216 8.220 1.00 1.55 H new ATOM 0 HG3 GLU A 4 -12.824 -10.553 6.599 1.00 1.55 H new ATOM 55 N PRO A 5 -15.844 -11.200 4.977 1.00 1.32 N ATOM 56 CA PRO A 5 -15.659 -11.489 3.575 1.00 1.34 C ATOM 57 C PRO A 5 -14.549 -10.581 3.041 1.00 1.25 C ATOM 58 O PRO A 5 -14.796 -9.749 2.172 1.00 1.41 O ATOM 59 CB PRO A 5 -17.029 -11.201 2.955 1.00 1.64 C ATOM 60 CG PRO A 5 -17.606 -10.073 3.819 1.00 1.78 C ATOM 61 CD PRO A 5 -16.767 -10.076 5.101 1.00 1.63 C ATOM 0 HA PRO A 5 -15.350 -12.509 3.349 1.00 1.34 H new ATOM 0 HB2 PRO A 5 -16.938 -10.897 1.912 1.00 1.64 H new ATOM 0 HB3 PRO A 5 -17.668 -12.084 2.975 1.00 1.64 H new ATOM 0 HG2 PRO A 5 -17.540 -9.113 3.308 1.00 1.78 H new ATOM 0 HG3 PRO A 5 -18.660 -10.245 4.038 1.00 1.78 H new ATOM 0 HD2 PRO A 5 -16.225 -9.137 5.214 1.00 1.63 H new ATOM 0 HD3 PRO A 5 -17.400 -10.187 5.981 1.00 1.63 H new ATOM 69 N LEU A 6 -13.320 -10.758 3.535 1.00 1.10 N ATOM 70 CA LEU A 6 -12.209 -9.926 3.072 1.00 1.06 C ATOM 71 C LEU A 6 -11.737 -10.422 1.702 1.00 1.00 C ATOM 72 O LEU A 6 -11.904 -11.596 1.372 1.00 1.24 O ATOM 73 CB LEU A 6 -11.054 -9.947 4.088 1.00 1.04 C ATOM 74 CG LEU A 6 -10.374 -11.323 4.264 1.00 1.05 C ATOM 75 CD1 LEU A 6 -9.144 -11.488 3.354 1.00 1.97 C ATOM 76 CD2 LEU A 6 -9.910 -11.503 5.714 1.00 1.75 C ATOM 0 H LEU A 6 -13.074 -11.454 4.239 1.00 1.10 H new ATOM 0 HA LEU A 6 -12.550 -8.895 2.978 1.00 1.06 H new ATOM 0 HB2 LEU A 6 -10.302 -9.222 3.777 1.00 1.04 H new ATOM 0 HB3 LEU A 6 -11.433 -9.618 5.055 1.00 1.04 H new ATOM 0 HG LEU A 6 -11.118 -12.072 3.993 1.00 1.05 H new ATOM 0 HD11 LEU A 6 -8.702 -12.471 3.515 1.00 1.97 H new ATOM 0 HD12 LEU A 6 -9.447 -11.393 2.311 1.00 1.97 H new ATOM 0 HD13 LEU A 6 -8.411 -10.717 3.590 1.00 1.97 H new ATOM 0 HD21 LEU A 6 -9.432 -12.477 5.825 1.00 1.75 H new ATOM 0 HD22 LEU A 6 -9.197 -10.718 5.968 1.00 1.75 H new ATOM 0 HD23 LEU A 6 -10.770 -11.442 6.381 1.00 1.75 H new ATOM 88 N THR A 7 -11.184 -9.512 0.895 1.00 0.89 N ATOM 89 CA THR A 7 -10.867 -9.747 -0.514 1.00 0.87 C ATOM 90 C THR A 7 -9.352 -9.658 -0.743 1.00 0.77 C ATOM 91 O THR A 7 -8.651 -9.043 0.058 1.00 0.85 O ATOM 92 CB THR A 7 -11.630 -8.714 -1.365 1.00 1.05 C ATOM 93 OG1 THR A 7 -12.895 -8.422 -0.804 1.00 1.62 O ATOM 94 CG2 THR A 7 -11.862 -9.215 -2.792 1.00 1.25 C ATOM 0 H THR A 7 -10.940 -8.573 1.210 1.00 0.89 H new ATOM 0 HA THR A 7 -11.177 -10.749 -0.809 1.00 0.87 H new ATOM 0 HB THR A 7 -11.007 -7.819 -1.384 1.00 1.05 H new ATOM 0 HG1 THR A 7 -12.867 -7.542 -0.374 1.00 1.62 H new ATOM 0 HG21 THR A 7 -12.403 -8.458 -3.360 1.00 1.25 H new ATOM 0 HG22 THR A 7 -10.902 -9.410 -3.270 1.00 1.25 H new ATOM 0 HG23 THR A 7 -12.447 -10.134 -2.764 1.00 1.25 H new ATOM 102 N GLU A 8 -8.844 -10.216 -1.849 1.00 0.83 N ATOM 103 CA GLU A 8 -7.425 -10.254 -2.203 1.00 0.96 C ATOM 104 C GLU A 8 -6.756 -8.882 -2.069 1.00 1.03 C ATOM 105 O GLU A 8 -5.643 -8.766 -1.560 1.00 1.21 O ATOM 106 CB GLU A 8 -7.241 -10.793 -3.636 1.00 1.15 C ATOM 107 CG GLU A 8 -7.855 -12.189 -3.845 1.00 1.32 C ATOM 108 CD GLU A 8 -9.269 -12.142 -4.416 1.00 2.06 C ATOM 109 OE1 GLU A 8 -10.158 -11.657 -3.683 1.00 3.40 O ATOM 110 OE2 GLU A 8 -9.434 -12.574 -5.576 1.00 2.64 O ATOM 0 H GLU A 8 -9.435 -10.670 -2.546 1.00 0.83 H new ATOM 0 HA GLU A 8 -6.938 -10.927 -1.497 1.00 0.96 H new ATOM 0 HB2 GLU A 8 -7.694 -10.095 -4.340 1.00 1.15 H new ATOM 0 HB3 GLU A 8 -6.177 -10.833 -3.868 1.00 1.15 H new ATOM 0 HG2 GLU A 8 -7.217 -12.763 -4.517 1.00 1.32 H new ATOM 0 HG3 GLU A 8 -7.872 -12.718 -2.892 1.00 1.32 H new ATOM 117 N LEU A 9 -7.429 -7.823 -2.530 1.00 0.96 N ATOM 118 CA LEU A 9 -6.887 -6.480 -2.404 1.00 1.06 C ATOM 119 C LEU A 9 -6.817 -6.116 -0.918 1.00 1.08 C ATOM 120 O LEU A 9 -5.818 -5.568 -0.448 1.00 1.12 O ATOM 121 CB LEU A 9 -7.756 -5.469 -3.171 1.00 1.10 C ATOM 122 CG LEU A 9 -7.768 -5.586 -4.710 1.00 1.13 C ATOM 123 CD1 LEU A 9 -6.372 -5.422 -5.320 1.00 1.98 C ATOM 124 CD2 LEU A 9 -8.421 -6.869 -5.241 1.00 1.99 C ATOM 0 H LEU A 9 -8.339 -7.875 -2.988 1.00 0.96 H new ATOM 0 HA LEU A 9 -5.887 -6.448 -2.836 1.00 1.06 H new ATOM 0 HB2 LEU A 9 -8.782 -5.565 -2.815 1.00 1.10 H new ATOM 0 HB3 LEU A 9 -7.420 -4.466 -2.909 1.00 1.10 H new ATOM 0 HG LEU A 9 -8.396 -4.755 -5.032 1.00 1.13 H new ATOM 0 HD11 LEU A 9 -6.436 -5.513 -6.404 1.00 1.98 H new ATOM 0 HD12 LEU A 9 -5.975 -4.441 -5.061 1.00 1.98 H new ATOM 0 HD13 LEU A 9 -5.711 -6.196 -4.929 1.00 1.98 H new ATOM 0 HD21 LEU A 9 -8.387 -6.871 -6.330 1.00 1.99 H new ATOM 0 HD22 LEU A 9 -7.882 -7.736 -4.860 1.00 1.99 H new ATOM 0 HD23 LEU A 9 -9.459 -6.913 -4.910 1.00 1.99 H new ATOM 136 N GLU A 10 -7.886 -6.427 -0.177 1.00 1.06 N ATOM 137 CA GLU A 10 -7.984 -6.074 1.223 1.00 1.06 C ATOM 138 C GLU A 10 -6.868 -6.732 2.021 1.00 0.97 C ATOM 139 O GLU A 10 -6.174 -6.038 2.762 1.00 1.00 O ATOM 140 CB GLU A 10 -9.370 -6.374 1.810 1.00 1.11 C ATOM 141 CG GLU A 10 -9.467 -5.542 3.088 1.00 1.61 C ATOM 142 CD GLU A 10 -10.831 -5.526 3.760 1.00 1.69 C ATOM 143 OE1 GLU A 10 -11.644 -6.424 3.470 1.00 2.66 O ATOM 144 OE2 GLU A 10 -11.016 -4.564 4.544 1.00 2.62 O ATOM 0 H GLU A 10 -8.698 -6.928 -0.538 1.00 1.06 H new ATOM 0 HA GLU A 10 -7.858 -4.994 1.298 1.00 1.06 H new ATOM 0 HB2 GLU A 10 -10.159 -6.106 1.107 1.00 1.11 H new ATOM 0 HB3 GLU A 10 -9.482 -7.437 2.025 1.00 1.11 H new ATOM 0 HG2 GLU A 10 -8.735 -5.919 3.802 1.00 1.61 H new ATOM 0 HG3 GLU A 10 -9.185 -4.515 2.854 1.00 1.61 H new ATOM 151 N GLU A 11 -6.649 -8.028 1.800 1.00 0.93 N ATOM 152 CA GLU A 11 -5.573 -8.798 2.414 1.00 0.93 C ATOM 153 C GLU A 11 -4.258 -8.003 2.448 1.00 0.84 C ATOM 154 O GLU A 11 -3.509 -8.046 3.429 1.00 0.87 O ATOM 155 CB GLU A 11 -5.414 -10.118 1.643 1.00 1.19 C ATOM 156 CG GLU A 11 -4.477 -11.109 2.346 1.00 1.46 C ATOM 157 CD GLU A 11 -4.351 -12.408 1.559 1.00 2.37 C ATOM 158 OE1 GLU A 11 -3.980 -12.312 0.370 1.00 3.70 O ATOM 159 OE2 GLU A 11 -4.627 -13.470 2.158 1.00 2.98 O ATOM 0 H GLU A 11 -7.231 -8.583 1.173 1.00 0.93 H new ATOM 0 HA GLU A 11 -5.828 -9.013 3.452 1.00 0.93 H new ATOM 0 HB2 GLU A 11 -6.393 -10.579 1.516 1.00 1.19 H new ATOM 0 HB3 GLU A 11 -5.029 -9.907 0.645 1.00 1.19 H new ATOM 0 HG2 GLU A 11 -3.492 -10.658 2.467 1.00 1.46 H new ATOM 0 HG3 GLU A 11 -4.855 -11.323 3.346 1.00 1.46 H new ATOM 166 N SER A 12 -3.974 -7.228 1.395 1.00 0.80 N ATOM 167 CA SER A 12 -2.713 -6.515 1.336 1.00 0.78 C ATOM 168 C SER A 12 -2.736 -5.338 2.302 1.00 0.68 C ATOM 169 O SER A 12 -1.763 -5.046 2.999 1.00 0.70 O ATOM 170 CB SER A 12 -2.457 -6.050 -0.097 1.00 0.88 C ATOM 171 OG SER A 12 -1.147 -5.540 -0.212 1.00 2.07 O ATOM 0 H SER A 12 -4.590 -7.086 0.594 1.00 0.80 H new ATOM 0 HA SER A 12 -1.901 -7.178 1.634 1.00 0.78 H new ATOM 0 HB2 SER A 12 -2.594 -6.882 -0.788 1.00 0.88 H new ATOM 0 HB3 SER A 12 -3.180 -5.283 -0.374 1.00 0.88 H new ATOM 0 HG SER A 12 -1.173 -4.561 -0.181 1.00 2.07 H new ATOM 177 N ILE A 13 -3.879 -4.664 2.354 1.00 0.64 N ATOM 178 CA ILE A 13 -4.093 -3.533 3.222 1.00 0.55 C ATOM 179 C ILE A 13 -3.984 -4.013 4.665 1.00 0.53 C ATOM 180 O ILE A 13 -3.276 -3.388 5.448 1.00 0.50 O ATOM 181 CB ILE A 13 -5.436 -2.875 2.865 1.00 0.59 C ATOM 182 CG1 ILE A 13 -5.312 -2.341 1.429 1.00 0.78 C ATOM 183 CG2 ILE A 13 -5.855 -1.745 3.817 1.00 0.54 C ATOM 184 CD1 ILE A 13 -6.666 -2.054 0.812 1.00 0.61 C ATOM 0 H ILE A 13 -4.690 -4.899 1.782 1.00 0.64 H new ATOM 0 HA ILE A 13 -3.338 -2.757 3.092 1.00 0.55 H new ATOM 0 HB ILE A 13 -6.219 -3.628 2.959 1.00 0.59 H new ATOM 0 HG12 ILE A 13 -4.714 -1.430 1.431 1.00 0.78 H new ATOM 0 HG13 ILE A 13 -4.781 -3.069 0.816 1.00 0.78 H new ATOM 0 HG21 ILE A 13 -6.812 -1.334 3.495 1.00 0.54 H new ATOM 0 HG22 ILE A 13 -5.951 -2.139 4.829 1.00 0.54 H new ATOM 0 HG23 ILE A 13 -5.100 -0.959 3.803 1.00 0.54 H new ATOM 0 HD11 ILE A 13 -6.531 -1.679 -0.202 1.00 0.61 H new ATOM 0 HD12 ILE A 13 -7.255 -2.971 0.785 1.00 0.61 H new ATOM 0 HD13 ILE A 13 -7.187 -1.306 1.410 1.00 0.61 H new ATOM 196 N GLU A 14 -4.636 -5.136 4.995 1.00 0.63 N ATOM 197 CA GLU A 14 -4.507 -5.809 6.285 1.00 0.76 C ATOM 198 C GLU A 14 -3.036 -6.010 6.631 1.00 0.76 C ATOM 199 O GLU A 14 -2.580 -5.631 7.710 1.00 0.75 O ATOM 200 CB GLU A 14 -5.209 -7.167 6.264 1.00 1.23 C ATOM 201 CG GLU A 14 -6.690 -6.998 5.951 1.00 1.46 C ATOM 202 CD GLU A 14 -7.392 -8.339 5.873 1.00 2.89 C ATOM 203 OE1 GLU A 14 -7.190 -9.133 6.815 1.00 3.34 O ATOM 204 OE2 GLU A 14 -8.102 -8.527 4.865 1.00 4.24 O ATOM 0 H GLU A 14 -5.278 -5.607 4.358 1.00 0.63 H new ATOM 0 HA GLU A 14 -4.977 -5.179 7.040 1.00 0.76 H new ATOM 0 HB2 GLU A 14 -4.745 -7.811 5.517 1.00 1.23 H new ATOM 0 HB3 GLU A 14 -5.089 -7.660 7.229 1.00 1.23 H new ATOM 0 HG2 GLU A 14 -7.159 -6.384 6.720 1.00 1.46 H new ATOM 0 HG3 GLU A 14 -6.806 -6.469 5.005 1.00 1.46 H new ATOM 211 N THR A 15 -2.302 -6.602 5.691 1.00 0.81 N ATOM 212 CA THR A 15 -0.884 -6.872 5.852 1.00 0.86 C ATOM 213 C THR A 15 -0.143 -5.574 6.180 1.00 0.79 C ATOM 214 O THR A 15 0.597 -5.518 7.160 1.00 0.85 O ATOM 215 CB THR A 15 -0.313 -7.598 4.628 1.00 0.98 C ATOM 216 OG1 THR A 15 -1.026 -8.800 4.421 1.00 1.13 O ATOM 217 CG2 THR A 15 1.161 -7.953 4.853 1.00 1.08 C ATOM 0 H THR A 15 -2.680 -6.907 4.794 1.00 0.81 H new ATOM 0 HA THR A 15 -0.739 -7.551 6.693 1.00 0.86 H new ATOM 0 HB THR A 15 -0.405 -6.939 3.764 1.00 0.98 H new ATOM 0 HG1 THR A 15 -1.918 -8.595 4.070 1.00 1.13 H new ATOM 0 HG21 THR A 15 1.550 -8.468 3.974 1.00 1.08 H new ATOM 0 HG22 THR A 15 1.733 -7.041 5.022 1.00 1.08 H new ATOM 0 HG23 THR A 15 1.250 -8.603 5.723 1.00 1.08 H new ATOM 225 N VAL A 16 -0.340 -4.510 5.399 1.00 0.72 N ATOM 226 CA VAL A 16 0.315 -3.245 5.676 1.00 0.72 C ATOM 227 C VAL A 16 -0.070 -2.719 7.066 1.00 0.75 C ATOM 228 O VAL A 16 0.809 -2.427 7.874 1.00 0.85 O ATOM 229 CB VAL A 16 0.020 -2.238 4.557 1.00 0.74 C ATOM 230 CG1 VAL A 16 0.522 -0.863 4.986 1.00 0.80 C ATOM 231 CG2 VAL A 16 0.714 -2.639 3.251 1.00 0.75 C ATOM 0 H VAL A 16 -0.944 -4.505 4.577 1.00 0.72 H new ATOM 0 HA VAL A 16 1.394 -3.399 5.694 1.00 0.72 H new ATOM 0 HB VAL A 16 -1.056 -2.220 4.382 1.00 0.74 H new ATOM 0 HG11 VAL A 16 0.317 -0.139 4.198 1.00 0.80 H new ATOM 0 HG12 VAL A 16 0.012 -0.558 5.900 1.00 0.80 H new ATOM 0 HG13 VAL A 16 1.596 -0.908 5.168 1.00 0.80 H new ATOM 0 HG21 VAL A 16 0.486 -1.906 2.478 1.00 0.75 H new ATOM 0 HG22 VAL A 16 1.792 -2.677 3.408 1.00 0.75 H new ATOM 0 HG23 VAL A 16 0.359 -3.620 2.937 1.00 0.75 H new ATOM 241 N VAL A 17 -1.364 -2.563 7.360 1.00 0.71 N ATOM 242 CA VAL A 17 -1.771 -1.994 8.641 1.00 0.74 C ATOM 243 C VAL A 17 -1.222 -2.819 9.815 1.00 0.80 C ATOM 244 O VAL A 17 -0.711 -2.246 10.777 1.00 0.94 O ATOM 245 CB VAL A 17 -3.277 -1.716 8.739 1.00 0.69 C ATOM 246 CG1 VAL A 17 -3.728 -0.716 7.665 1.00 0.77 C ATOM 247 CG2 VAL A 17 -4.114 -2.987 8.660 1.00 0.61 C ATOM 0 H VAL A 17 -2.132 -2.818 6.740 1.00 0.71 H new ATOM 0 HA VAL A 17 -1.314 -1.007 8.707 1.00 0.74 H new ATOM 0 HB VAL A 17 -3.444 -1.277 9.723 1.00 0.69 H new ATOM 0 HG11 VAL A 17 -4.799 -0.539 7.760 1.00 0.77 H new ATOM 0 HG12 VAL A 17 -3.192 0.224 7.795 1.00 0.77 H new ATOM 0 HG13 VAL A 17 -3.513 -1.122 6.677 1.00 0.77 H new ATOM 0 HG21 VAL A 17 -5.171 -2.732 8.734 1.00 0.61 H new ATOM 0 HG22 VAL A 17 -3.927 -3.487 7.710 1.00 0.61 H new ATOM 0 HG23 VAL A 17 -3.843 -3.653 9.479 1.00 0.61 H new ATOM 257 N THR A 18 -1.281 -4.155 9.738 1.00 0.75 N ATOM 258 CA THR A 18 -0.739 -4.985 10.807 1.00 0.89 C ATOM 259 C THR A 18 0.785 -4.896 10.849 1.00 0.91 C ATOM 260 O THR A 18 1.345 -4.937 11.939 1.00 0.95 O ATOM 261 CB THR A 18 -1.249 -6.436 10.761 1.00 0.89 C ATOM 262 OG1 THR A 18 -1.088 -7.027 12.034 1.00 1.51 O ATOM 263 CG2 THR A 18 -0.521 -7.304 9.735 1.00 1.19 C ATOM 0 H THR A 18 -1.692 -4.671 8.960 1.00 0.75 H new ATOM 0 HA THR A 18 -1.116 -4.582 11.747 1.00 0.89 H new ATOM 0 HB THR A 18 -2.297 -6.387 10.466 1.00 0.89 H new ATOM 0 HG1 THR A 18 -1.413 -7.951 12.009 1.00 1.51 H new ATOM 0 HG21 THR A 18 -0.931 -8.314 9.756 1.00 1.19 H new ATOM 0 HG22 THR A 18 -0.653 -6.879 8.740 1.00 1.19 H new ATOM 0 HG23 THR A 18 0.541 -7.339 9.976 1.00 1.19 H new ATOM 271 N THR A 19 1.469 -4.763 9.708 1.00 0.91 N ATOM 272 CA THR A 19 2.922 -4.626 9.679 1.00 1.02 C ATOM 273 C THR A 19 3.397 -3.515 10.629 1.00 0.99 C ATOM 274 O THR A 19 4.397 -3.690 11.319 1.00 1.15 O ATOM 275 CB THR A 19 3.399 -4.427 8.236 1.00 1.23 C ATOM 276 OG1 THR A 19 3.262 -5.628 7.509 1.00 1.54 O ATOM 277 CG2 THR A 19 4.858 -3.997 8.133 1.00 1.48 C ATOM 0 H THR A 19 1.031 -4.748 8.787 1.00 0.91 H new ATOM 0 HA THR A 19 3.377 -5.546 10.047 1.00 1.02 H new ATOM 0 HB THR A 19 2.775 -3.632 7.828 1.00 1.23 H new ATOM 0 HG1 THR A 19 2.321 -5.759 7.269 1.00 1.54 H new ATOM 0 HG21 THR A 19 5.128 -3.875 7.084 1.00 1.48 H new ATOM 0 HG22 THR A 19 4.996 -3.051 8.656 1.00 1.48 H new ATOM 0 HG23 THR A 19 5.494 -4.758 8.585 1.00 1.48 H new ATOM 285 N PHE A 20 2.679 -2.388 10.717 1.00 0.92 N ATOM 286 CA PHE A 20 3.021 -1.367 11.712 1.00 0.94 C ATOM 287 C PHE A 20 3.052 -1.922 13.137 1.00 1.01 C ATOM 288 O PHE A 20 3.874 -1.484 13.935 1.00 1.12 O ATOM 289 CB PHE A 20 2.058 -0.181 11.670 1.00 0.96 C ATOM 290 CG PHE A 20 2.124 0.608 10.385 1.00 0.89 C ATOM 291 CD1 PHE A 20 3.075 1.628 10.218 1.00 1.79 C ATOM 292 CD2 PHE A 20 1.232 0.310 9.351 1.00 1.59 C ATOM 293 CE1 PHE A 20 3.113 2.355 9.017 1.00 1.65 C ATOM 294 CE2 PHE A 20 1.264 1.035 8.153 1.00 1.75 C ATOM 295 CZ PHE A 20 2.216 2.046 7.979 1.00 0.90 C ATOM 0 H PHE A 20 1.878 -2.164 10.127 1.00 0.92 H new ATOM 0 HA PHE A 20 4.023 -1.031 11.444 1.00 0.94 H new ATOM 0 HB2 PHE A 20 1.040 -0.545 11.811 1.00 0.96 H new ATOM 0 HB3 PHE A 20 2.277 0.483 12.506 1.00 0.96 H new ATOM 0 HD1 PHE A 20 3.774 1.852 11.010 1.00 1.79 H new ATOM 0 HD2 PHE A 20 0.512 -0.486 9.477 1.00 1.59 H new ATOM 0 HE1 PHE A 20 3.831 3.152 8.891 1.00 1.65 H new ATOM 0 HE2 PHE A 20 0.557 0.815 7.367 1.00 1.75 H new ATOM 0 HZ PHE A 20 2.262 2.589 7.047 1.00 0.90 H new ATOM 305 N PHE A 21 2.134 -2.832 13.479 1.00 1.01 N ATOM 306 CA PHE A 21 2.139 -3.513 14.768 1.00 1.09 C ATOM 307 C PHE A 21 3.300 -4.506 14.807 1.00 1.18 C ATOM 308 O PHE A 21 4.097 -4.499 15.742 1.00 1.38 O ATOM 309 CB PHE A 21 0.787 -4.196 15.018 1.00 1.09 C ATOM 310 CG PHE A 21 0.695 -4.883 16.366 1.00 1.30 C ATOM 311 CD1 PHE A 21 0.377 -4.139 17.518 1.00 2.25 C ATOM 312 CD2 PHE A 21 1.001 -6.252 16.478 1.00 2.56 C ATOM 313 CE1 PHE A 21 0.353 -4.766 18.776 1.00 2.74 C ATOM 314 CE2 PHE A 21 0.974 -6.879 17.736 1.00 3.21 C ATOM 315 CZ PHE A 21 0.648 -6.137 18.885 1.00 2.82 C ATOM 0 H PHE A 21 1.369 -3.114 12.867 1.00 1.01 H new ATOM 0 HA PHE A 21 2.282 -2.789 15.570 1.00 1.09 H new ATOM 0 HB2 PHE A 21 -0.006 -3.452 14.944 1.00 1.09 H new ATOM 0 HB3 PHE A 21 0.609 -4.930 14.232 1.00 1.09 H new ATOM 0 HD1 PHE A 21 0.151 -3.086 17.435 1.00 2.25 H new ATOM 0 HD2 PHE A 21 1.257 -6.821 15.597 1.00 2.56 H new ATOM 0 HE1 PHE A 21 0.108 -4.195 19.659 1.00 2.74 H new ATOM 0 HE2 PHE A 21 1.204 -7.931 17.820 1.00 3.21 H new ATOM 0 HZ PHE A 21 0.624 -6.620 19.851 1.00 2.82 H new ATOM 325 N THR A 22 3.442 -5.322 13.764 1.00 1.22 N ATOM 326 CA THR A 22 4.486 -6.330 13.669 1.00 1.51 C ATOM 327 C THR A 22 5.776 -5.656 13.185 1.00 1.89 C ATOM 328 O THR A 22 6.350 -6.032 12.167 1.00 2.28 O ATOM 329 CB THR A 22 4.013 -7.438 12.709 1.00 2.08 C ATOM 330 OG1 THR A 22 2.643 -7.721 12.936 1.00 2.73 O ATOM 331 CG2 THR A 22 4.814 -8.731 12.897 1.00 2.38 C ATOM 0 H THR A 22 2.825 -5.298 12.952 1.00 1.22 H new ATOM 0 HA THR A 22 4.690 -6.788 14.637 1.00 1.51 H new ATOM 0 HB THR A 22 4.167 -7.075 11.693 1.00 2.08 H new ATOM 0 HG1 THR A 22 2.348 -8.425 12.321 1.00 2.73 H new ATOM 0 HG21 THR A 22 4.451 -9.488 12.202 1.00 2.38 H new ATOM 0 HG22 THR A 22 5.869 -8.537 12.703 1.00 2.38 H new ATOM 0 HG23 THR A 22 4.693 -9.089 13.919 1.00 2.38 H new ATOM 478 N ASP A 31 2.398 5.040 15.863 1.00 1.43 N ATOM 479 CA ASP A 31 1.696 4.915 14.588 1.00 1.31 C ATOM 480 C ASP A 31 2.609 4.446 13.470 1.00 1.29 C ATOM 481 O ASP A 31 2.360 3.424 12.834 1.00 1.61 O ATOM 482 CB ASP A 31 0.935 6.182 14.176 1.00 1.45 C ATOM 483 CG ASP A 31 0.002 5.839 13.024 1.00 1.52 C ATOM 484 OD1 ASP A 31 -1.013 5.163 13.329 1.00 2.39 O ATOM 485 OD2 ASP A 31 0.320 6.212 11.872 1.00 2.58 O ATOM 0 HA ASP A 31 0.945 4.143 14.758 1.00 1.31 H new ATOM 0 HB2 ASP A 31 0.366 6.572 15.020 1.00 1.45 H new ATOM 0 HB3 ASP A 31 1.635 6.962 13.876 1.00 1.45 H new ATOM 490 N SER A 32 3.671 5.201 13.231 1.00 1.27 N ATOM 491 CA SER A 32 4.712 4.858 12.289 1.00 1.22 C ATOM 492 C SER A 32 6.019 5.433 12.834 1.00 1.23 C ATOM 493 O SER A 32 6.114 5.690 14.035 1.00 1.41 O ATOM 494 CB SER A 32 4.326 5.374 10.899 1.00 1.23 C ATOM 495 OG SER A 32 3.031 4.949 10.530 1.00 2.60 O ATOM 0 H SER A 32 3.831 6.091 13.702 1.00 1.27 H new ATOM 0 HA SER A 32 4.845 3.782 12.175 1.00 1.22 H new ATOM 0 HB2 SER A 32 4.369 6.463 10.889 1.00 1.23 H new ATOM 0 HB3 SER A 32 5.049 5.020 10.165 1.00 1.23 H new ATOM 0 HG SER A 32 3.026 3.976 10.416 1.00 2.60 H new ATOM 501 N LEU A 33 7.029 5.591 11.980 1.00 1.16 N ATOM 502 CA LEU A 33 8.396 5.825 12.386 1.00 1.10 C ATOM 503 C LEU A 33 8.778 7.280 12.179 1.00 1.05 C ATOM 504 O LEU A 33 8.023 8.092 11.639 1.00 1.14 O ATOM 505 CB LEU A 33 9.339 4.964 11.527 1.00 1.20 C ATOM 506 CG LEU A 33 9.140 3.444 11.574 1.00 1.22 C ATOM 507 CD1 LEU A 33 9.043 2.898 13.003 1.00 1.42 C ATOM 508 CD2 LEU A 33 7.942 3.007 10.738 1.00 1.36 C ATOM 0 H LEU A 33 6.908 5.558 10.968 1.00 1.16 H new ATOM 0 HA LEU A 33 8.484 5.569 13.442 1.00 1.10 H new ATOM 0 HB2 LEU A 33 9.239 5.286 10.490 1.00 1.20 H new ATOM 0 HB3 LEU A 33 10.363 5.180 11.830 1.00 1.20 H new ATOM 0 HG LEU A 33 10.037 3.010 11.133 1.00 1.22 H new ATOM 0 HD11 LEU A 33 8.903 1.818 12.971 1.00 1.42 H new ATOM 0 HD12 LEU A 33 9.961 3.129 13.544 1.00 1.42 H new ATOM 0 HD13 LEU A 33 8.196 3.359 13.512 1.00 1.42 H new ATOM 0 HD21 LEU A 33 7.833 1.924 10.796 1.00 1.36 H new ATOM 0 HD22 LEU A 33 7.039 3.483 11.120 1.00 1.36 H new ATOM 0 HD23 LEU A 33 8.096 3.301 9.700 1.00 1.36 H new ATOM 520 N SER A 34 10.024 7.546 12.541 1.00 0.98 N ATOM 521 CA SER A 34 10.784 8.664 12.047 1.00 0.91 C ATOM 522 C SER A 34 11.254 8.354 10.621 1.00 0.91 C ATOM 523 O SER A 34 11.311 7.199 10.187 1.00 0.93 O ATOM 524 CB SER A 34 11.907 8.969 13.036 1.00 0.96 C ATOM 525 OG SER A 34 12.371 7.758 13.613 1.00 1.80 O ATOM 0 H SER A 34 10.541 6.969 13.205 1.00 0.98 H new ATOM 0 HA SER A 34 10.185 9.572 11.976 1.00 0.91 H new ATOM 0 HB2 SER A 34 12.725 9.479 12.528 1.00 0.96 H new ATOM 0 HB3 SER A 34 11.547 9.641 13.815 1.00 0.96 H new ATOM 0 HG SER A 34 13.290 7.878 13.932 1.00 1.80 H new ATOM 531 N VAL A 35 11.428 9.407 9.830 1.00 0.91 N ATOM 532 CA VAL A 35 11.213 9.328 8.397 1.00 0.75 C ATOM 533 C VAL A 35 12.422 8.724 7.665 1.00 0.62 C ATOM 534 O VAL A 35 12.268 7.881 6.779 1.00 0.55 O ATOM 535 CB VAL A 35 10.853 10.735 7.923 1.00 0.81 C ATOM 536 CG1 VAL A 35 10.645 10.815 6.417 1.00 0.85 C ATOM 537 CG2 VAL A 35 9.614 11.321 8.620 1.00 0.94 C ATOM 0 H VAL A 35 11.718 10.327 10.162 1.00 0.91 H new ATOM 0 HA VAL A 35 10.395 8.647 8.162 1.00 0.75 H new ATOM 0 HB VAL A 35 11.721 11.333 8.200 1.00 0.81 H new ATOM 0 HG11 VAL A 35 10.392 11.838 6.139 1.00 0.85 H new ATOM 0 HG12 VAL A 35 11.561 10.516 5.907 1.00 0.85 H new ATOM 0 HG13 VAL A 35 9.833 10.148 6.126 1.00 0.85 H new ATOM 0 HG21 VAL A 35 9.418 12.321 8.234 1.00 0.94 H new ATOM 0 HG22 VAL A 35 8.752 10.682 8.427 1.00 0.94 H new ATOM 0 HG23 VAL A 35 9.792 11.375 9.694 1.00 0.94 H new ATOM 547 N ASN A 36 13.640 9.155 8.003 1.00 0.71 N ATOM 548 CA ASN A 36 14.845 8.609 7.384 1.00 0.77 C ATOM 549 C ASN A 36 15.031 7.153 7.821 1.00 0.72 C ATOM 550 O ASN A 36 15.376 6.283 7.027 1.00 0.72 O ATOM 551 CB ASN A 36 16.088 9.452 7.715 1.00 1.12 C ATOM 552 CG ASN A 36 16.903 9.710 6.449 1.00 2.25 C ATOM 553 OD1 ASN A 36 17.399 8.772 5.830 1.00 3.04 O ATOM 554 ND2 ASN A 36 17.025 10.960 6.004 1.00 2.63 N ATOM 0 H ASN A 36 13.815 9.879 8.700 1.00 0.71 H new ATOM 0 HA ASN A 36 14.722 8.643 6.301 1.00 0.77 H new ATOM 0 HB2 ASN A 36 15.786 10.400 8.161 1.00 1.12 H new ATOM 0 HB3 ASN A 36 16.702 8.934 8.452 1.00 1.12 H new ATOM 0 HD21 ASN A 36 17.535 11.146 5.140 1.00 2.63 H new ATOM 0 HD22 ASN A 36 16.609 11.730 6.527 1.00 2.63 H new ATOM 561 N GLU A 37 14.755 6.875 9.090 1.00 0.77 N ATOM 562 CA GLU A 37 14.740 5.536 9.636 1.00 0.83 C ATOM 563 C GLU A 37 13.763 4.675 8.836 1.00 0.68 C ATOM 564 O GLU A 37 14.125 3.588 8.390 1.00 0.69 O ATOM 565 CB GLU A 37 14.403 5.601 11.131 1.00 1.11 C ATOM 566 CG GLU A 37 15.420 6.474 11.890 1.00 2.98 C ATOM 567 CD GLU A 37 14.961 7.915 12.100 1.00 4.37 C ATOM 568 OE1 GLU A 37 14.621 8.585 11.098 1.00 5.18 O ATOM 569 OE2 GLU A 37 14.900 8.307 13.285 1.00 5.40 O ATOM 0 H GLU A 37 14.531 7.595 9.777 1.00 0.77 H new ATOM 0 HA GLU A 37 15.721 5.068 9.551 1.00 0.83 H new ATOM 0 HB2 GLU A 37 13.400 6.007 11.264 1.00 1.11 H new ATOM 0 HB3 GLU A 37 14.398 4.595 11.550 1.00 1.11 H new ATOM 0 HG2 GLU A 37 15.620 6.021 12.861 1.00 2.98 H new ATOM 0 HG3 GLU A 37 16.362 6.479 11.341 1.00 2.98 H new ATOM 576 N PHE A 38 12.549 5.181 8.585 1.00 0.68 N ATOM 577 CA PHE A 38 11.641 4.552 7.633 1.00 0.65 C ATOM 578 C PHE A 38 12.327 4.294 6.286 1.00 0.57 C ATOM 579 O PHE A 38 12.278 3.160 5.818 1.00 0.58 O ATOM 580 CB PHE A 38 10.340 5.344 7.470 1.00 0.68 C ATOM 581 CG PHE A 38 9.599 5.019 6.188 1.00 0.71 C ATOM 582 CD1 PHE A 38 8.856 3.830 6.090 1.00 1.63 C ATOM 583 CD2 PHE A 38 9.852 5.780 5.031 1.00 1.71 C ATOM 584 CE1 PHE A 38 8.299 3.446 4.858 1.00 1.69 C ATOM 585 CE2 PHE A 38 9.387 5.337 3.783 1.00 1.79 C ATOM 586 CZ PHE A 38 8.565 4.200 3.703 1.00 1.00 C ATOM 0 H PHE A 38 12.179 6.021 9.029 1.00 0.68 H new ATOM 0 HA PHE A 38 11.366 3.581 8.046 1.00 0.65 H new ATOM 0 HB2 PHE A 38 9.689 5.140 8.320 1.00 0.68 H new ATOM 0 HB3 PHE A 38 10.566 6.410 7.491 1.00 0.68 H new ATOM 0 HD1 PHE A 38 8.713 3.210 6.963 1.00 1.63 H new ATOM 0 HD2 PHE A 38 10.404 6.705 5.104 1.00 1.71 H new ATOM 0 HE1 PHE A 38 7.667 2.572 4.799 1.00 1.69 H new ATOM 0 HE2 PHE A 38 9.661 5.870 2.884 1.00 1.79 H new ATOM 0 HZ PHE A 38 8.139 3.906 2.755 1.00 1.00 H new ATOM 596 N LYS A 39 12.948 5.307 5.659 1.00 0.55 N ATOM 597 CA LYS A 39 13.649 5.138 4.379 1.00 0.55 C ATOM 598 C LYS A 39 14.537 3.886 4.431 1.00 0.54 C ATOM 599 O LYS A 39 14.474 3.026 3.549 1.00 0.58 O ATOM 600 CB LYS A 39 14.474 6.395 4.022 1.00 0.72 C ATOM 601 CG LYS A 39 15.187 6.331 2.656 1.00 0.85 C ATOM 602 CD LYS A 39 16.554 7.041 2.728 1.00 1.69 C ATOM 603 CE LYS A 39 17.603 6.143 3.413 1.00 2.53 C ATOM 604 NZ LYS A 39 18.509 6.873 4.333 1.00 3.53 N ATOM 0 H LYS A 39 12.977 6.259 6.024 1.00 0.55 H new ATOM 0 HA LYS A 39 12.907 5.006 3.591 1.00 0.55 H new ATOM 0 HB2 LYS A 39 13.813 7.262 4.031 1.00 0.72 H new ATOM 0 HB3 LYS A 39 15.221 6.556 4.799 1.00 0.72 H new ATOM 0 HG2 LYS A 39 15.326 5.291 2.360 1.00 0.85 H new ATOM 0 HG3 LYS A 39 14.566 6.800 1.893 1.00 0.85 H new ATOM 0 HD2 LYS A 39 16.889 7.297 1.723 1.00 1.69 H new ATOM 0 HD3 LYS A 39 16.454 7.976 3.279 1.00 1.69 H new ATOM 0 HE2 LYS A 39 17.089 5.360 3.970 1.00 2.53 H new ATOM 0 HE3 LYS A 39 18.200 5.649 2.647 1.00 2.53 H new ATOM 0 HZ1 LYS A 39 19.118 6.194 4.832 1.00 3.53 H new ATOM 0 HZ2 LYS A 39 19.100 7.532 3.787 1.00 3.53 H new ATOM 0 HZ3 LYS A 39 17.945 7.406 5.026 1.00 3.53 H new ATOM 618 N GLU A 40 15.370 3.790 5.469 1.00 0.59 N ATOM 619 CA GLU A 40 16.305 2.683 5.612 1.00 0.70 C ATOM 620 C GLU A 40 15.564 1.364 5.842 1.00 0.72 C ATOM 621 O GLU A 40 15.836 0.382 5.154 1.00 0.95 O ATOM 622 CB GLU A 40 17.390 3.027 6.645 1.00 0.90 C ATOM 623 CG GLU A 40 18.107 4.267 6.094 1.00 0.99 C ATOM 624 CD GLU A 40 19.366 4.721 6.797 1.00 1.48 C ATOM 625 OE1 GLU A 40 19.730 4.137 7.835 1.00 2.24 O ATOM 626 OE2 GLU A 40 19.923 5.686 6.219 1.00 2.06 O ATOM 0 H GLU A 40 15.412 4.473 6.225 1.00 0.59 H new ATOM 0 HA GLU A 40 16.847 2.526 4.679 1.00 0.70 H new ATOM 0 HB2 GLU A 40 16.951 3.230 7.622 1.00 0.90 H new ATOM 0 HB3 GLU A 40 18.085 2.197 6.774 1.00 0.90 H new ATOM 0 HG2 GLU A 40 18.356 4.074 5.051 1.00 0.99 H new ATOM 0 HG3 GLU A 40 17.399 5.096 6.105 1.00 0.99 H new ATOM 633 N LEU A 41 14.575 1.344 6.734 1.00 0.64 N ATOM 634 CA LEU A 41 13.742 0.166 6.937 1.00 0.69 C ATOM 635 C LEU A 41 13.141 -0.319 5.613 1.00 0.67 C ATOM 636 O LEU A 41 13.368 -1.462 5.225 1.00 0.77 O ATOM 637 CB LEU A 41 12.655 0.448 7.986 1.00 0.76 C ATOM 638 CG LEU A 41 13.222 0.563 9.412 1.00 1.12 C ATOM 639 CD1 LEU A 41 12.196 1.254 10.316 1.00 2.56 C ATOM 640 CD2 LEU A 41 13.557 -0.813 10.004 1.00 1.92 C ATOM 0 H LEU A 41 14.332 2.136 7.329 1.00 0.64 H new ATOM 0 HA LEU A 41 14.370 -0.639 7.319 1.00 0.69 H new ATOM 0 HB2 LEU A 41 12.139 1.373 7.729 1.00 0.76 H new ATOM 0 HB3 LEU A 41 11.913 -0.350 7.958 1.00 0.76 H new ATOM 0 HG LEU A 41 14.141 1.146 9.357 1.00 1.12 H new ATOM 0 HD11 LEU A 41 12.598 1.335 11.326 1.00 2.56 H new ATOM 0 HD12 LEU A 41 11.983 2.250 9.929 1.00 2.56 H new ATOM 0 HD13 LEU A 41 11.277 0.668 10.337 1.00 2.56 H new ATOM 0 HD21 LEU A 41 13.955 -0.689 11.011 1.00 1.92 H new ATOM 0 HD22 LEU A 41 12.654 -1.422 10.043 1.00 1.92 H new ATOM 0 HD23 LEU A 41 14.301 -1.307 9.379 1.00 1.92 H new ATOM 652 N VAL A 42 12.389 0.523 4.896 1.00 0.63 N ATOM 653 CA VAL A 42 11.744 0.094 3.659 1.00 0.72 C ATOM 654 C VAL A 42 12.801 -0.389 2.656 1.00 0.76 C ATOM 655 O VAL A 42 12.673 -1.484 2.110 1.00 0.85 O ATOM 656 CB VAL A 42 10.747 1.144 3.112 1.00 0.80 C ATOM 657 CG1 VAL A 42 11.406 2.421 2.581 1.00 2.18 C ATOM 658 CG2 VAL A 42 9.882 0.561 1.996 1.00 2.18 C ATOM 0 H VAL A 42 12.215 1.495 5.151 1.00 0.63 H new ATOM 0 HA VAL A 42 11.108 -0.766 3.867 1.00 0.72 H new ATOM 0 HB VAL A 42 10.140 1.414 3.976 1.00 0.80 H new ATOM 0 HG11 VAL A 42 10.637 3.103 2.217 1.00 2.18 H new ATOM 0 HG12 VAL A 42 11.967 2.901 3.383 1.00 2.18 H new ATOM 0 HG13 VAL A 42 12.083 2.169 1.765 1.00 2.18 H new ATOM 0 HG21 VAL A 42 9.193 1.324 1.634 1.00 2.18 H new ATOM 0 HG22 VAL A 42 10.520 0.230 1.177 1.00 2.18 H new ATOM 0 HG23 VAL A 42 9.315 -0.287 2.380 1.00 2.18 H new ATOM 668 N THR A 43 13.876 0.380 2.436 1.00 0.76 N ATOM 669 CA THR A 43 14.868 -0.016 1.442 1.00 0.94 C ATOM 670 C THR A 43 15.523 -1.354 1.819 1.00 0.97 C ATOM 671 O THR A 43 15.729 -2.199 0.953 1.00 1.19 O ATOM 672 CB THR A 43 15.861 1.126 1.146 1.00 1.09 C ATOM 673 OG1 THR A 43 16.254 1.093 -0.209 1.00 1.55 O ATOM 674 CG2 THR A 43 17.129 1.103 2.002 1.00 1.10 C ATOM 0 H THR A 43 14.074 1.255 2.921 1.00 0.76 H new ATOM 0 HA THR A 43 14.364 -0.199 0.493 1.00 0.94 H new ATOM 0 HB THR A 43 15.318 2.039 1.391 1.00 1.09 H new ATOM 0 HG1 THR A 43 16.883 1.824 -0.385 1.00 1.55 H new ATOM 0 HG21 THR A 43 17.769 1.941 1.726 1.00 1.10 H new ATOM 0 HG22 THR A 43 16.859 1.184 3.055 1.00 1.10 H new ATOM 0 HG23 THR A 43 17.664 0.168 1.835 1.00 1.10 H new ATOM 682 N GLN A 44 15.827 -1.573 3.104 1.00 0.86 N ATOM 683 CA GLN A 44 16.363 -2.847 3.574 1.00 0.96 C ATOM 684 C GLN A 44 15.352 -3.970 3.334 1.00 0.95 C ATOM 685 O GLN A 44 15.706 -5.030 2.819 1.00 1.09 O ATOM 686 CB GLN A 44 16.715 -2.753 5.063 1.00 0.98 C ATOM 687 CG GLN A 44 17.965 -1.894 5.296 1.00 2.05 C ATOM 688 CD GLN A 44 18.144 -1.574 6.776 1.00 2.72 C ATOM 689 OE1 GLN A 44 18.127 -0.418 7.180 1.00 4.23 O ATOM 690 NE2 GLN A 44 18.319 -2.601 7.604 1.00 2.55 N ATOM 0 H GLN A 44 15.708 -0.875 3.839 1.00 0.86 H new ATOM 0 HA GLN A 44 17.270 -3.074 3.014 1.00 0.96 H new ATOM 0 HB2 GLN A 44 15.874 -2.328 5.610 1.00 0.98 H new ATOM 0 HB3 GLN A 44 16.881 -3.754 5.462 1.00 0.98 H new ATOM 0 HG2 GLN A 44 18.845 -2.419 4.925 1.00 2.05 H new ATOM 0 HG3 GLN A 44 17.884 -0.967 4.728 1.00 2.05 H new ATOM 0 HE21 GLN A 44 18.329 -3.554 7.240 1.00 2.55 H new ATOM 0 HE22 GLN A 44 18.443 -2.435 8.603 1.00 2.55 H new ATOM 699 N GLN A 45 14.095 -3.735 3.712 1.00 0.83 N ATOM 700 CA GLN A 45 13.011 -4.694 3.556 1.00 0.84 C ATOM 701 C GLN A 45 12.788 -5.081 2.094 1.00 0.88 C ATOM 702 O GLN A 45 12.287 -6.181 1.849 1.00 0.99 O ATOM 703 CB GLN A 45 11.721 -4.126 4.148 1.00 0.83 C ATOM 704 CG GLN A 45 11.519 -4.514 5.614 1.00 0.84 C ATOM 705 CD GLN A 45 12.570 -3.978 6.585 1.00 0.98 C ATOM 706 OE1 GLN A 45 13.716 -4.414 6.581 1.00 2.04 O ATOM 707 NE2 GLN A 45 12.176 -3.074 7.478 1.00 2.03 N ATOM 0 H GLN A 45 13.801 -2.858 4.142 1.00 0.83 H new ATOM 0 HA GLN A 45 13.296 -5.598 4.094 1.00 0.84 H new ATOM 0 HB2 GLN A 45 11.736 -3.039 4.063 1.00 0.83 H new ATOM 0 HB3 GLN A 45 10.872 -4.480 3.563 1.00 0.83 H new ATOM 0 HG2 GLN A 45 10.539 -4.160 5.934 1.00 0.84 H new ATOM 0 HG3 GLN A 45 11.504 -5.602 5.686 1.00 0.84 H new ATOM 0 HE21 GLN A 45 11.217 -2.726 7.462 1.00 2.03 H new ATOM 0 HE22 GLN A 45 12.832 -2.729 8.178 1.00 2.03 H new ATOM 716 N LEU A 46 13.134 -4.185 1.160 1.00 0.86 N ATOM 717 CA LEU A 46 13.122 -4.420 -0.279 1.00 0.91 C ATOM 718 C LEU A 46 14.526 -4.726 -0.823 1.00 0.94 C ATOM 719 O LEU A 46 15.087 -3.905 -1.541 1.00 1.09 O ATOM 720 CB LEU A 46 12.504 -3.201 -0.989 1.00 0.97 C ATOM 721 CG LEU A 46 10.967 -3.159 -0.883 1.00 1.05 C ATOM 722 CD1 LEU A 46 10.479 -1.825 -0.339 1.00 1.48 C ATOM 723 CD2 LEU A 46 10.326 -3.418 -2.251 1.00 1.59 C ATOM 0 H LEU A 46 13.441 -3.243 1.401 1.00 0.86 H new ATOM 0 HA LEU A 46 12.513 -5.301 -0.480 1.00 0.91 H new ATOM 0 HB2 LEU A 46 12.918 -2.289 -0.559 1.00 0.97 H new ATOM 0 HB3 LEU A 46 12.790 -3.216 -2.041 1.00 0.97 H new ATOM 0 HG LEU A 46 10.669 -3.944 -0.187 1.00 1.05 H new ATOM 0 HD11 LEU A 46 9.391 -1.833 -0.279 1.00 1.48 H new ATOM 0 HD12 LEU A 46 10.896 -1.663 0.655 1.00 1.48 H new ATOM 0 HD13 LEU A 46 10.800 -1.022 -1.003 1.00 1.48 H new ATOM 0 HD21 LEU A 46 9.241 -3.385 -2.156 1.00 1.59 H new ATOM 0 HD22 LEU A 46 10.653 -2.654 -2.956 1.00 1.59 H new ATOM 0 HD23 LEU A 46 10.628 -4.400 -2.614 1.00 1.59 H new ATOM 735 N PRO A 47 15.110 -5.913 -0.584 1.00 0.91 N ATOM 736 CA PRO A 47 16.461 -6.224 -1.030 1.00 0.95 C ATOM 737 C PRO A 47 16.530 -6.576 -2.524 1.00 0.91 C ATOM 738 O PRO A 47 17.565 -7.066 -2.986 1.00 1.06 O ATOM 739 CB PRO A 47 16.872 -7.428 -0.179 1.00 1.13 C ATOM 740 CG PRO A 47 15.551 -8.186 -0.102 1.00 1.19 C ATOM 741 CD PRO A 47 14.564 -7.048 0.141 1.00 1.02 C ATOM 0 HA PRO A 47 17.120 -5.364 -0.912 1.00 0.95 H new ATOM 0 HB2 PRO A 47 17.660 -8.017 -0.649 1.00 1.13 H new ATOM 0 HB3 PRO A 47 17.238 -7.134 0.805 1.00 1.13 H new ATOM 0 HG2 PRO A 47 15.334 -8.728 -1.023 1.00 1.19 H new ATOM 0 HG3 PRO A 47 15.543 -8.916 0.707 1.00 1.19 H new ATOM 0 HD2 PRO A 47 13.569 -7.305 -0.221 1.00 1.02 H new ATOM 0 HD3 PRO A 47 14.470 -6.828 1.204 1.00 1.02 H new ATOM 749 N HIS A 48 15.453 -6.408 -3.299 1.00 0.98 N ATOM 750 CA HIS A 48 15.474 -6.630 -4.739 1.00 1.07 C ATOM 751 C HIS A 48 16.189 -5.465 -5.435 1.00 1.32 C ATOM 752 O HIS A 48 15.563 -4.618 -6.070 1.00 3.01 O ATOM 753 CB HIS A 48 14.054 -6.852 -5.264 1.00 1.27 C ATOM 754 CG HIS A 48 13.549 -8.233 -4.935 1.00 2.19 C ATOM 755 ND1 HIS A 48 12.753 -8.573 -3.869 1.00 3.21 N ATOM 756 CD2 HIS A 48 13.826 -9.383 -5.624 1.00 3.60 C ATOM 757 CE1 HIS A 48 12.527 -9.892 -3.928 1.00 4.53 C ATOM 758 NE2 HIS A 48 13.157 -10.429 -4.985 1.00 4.77 N ATOM 0 H HIS A 48 14.545 -6.114 -2.940 1.00 0.98 H new ATOM 0 HA HIS A 48 16.037 -7.536 -4.965 1.00 1.07 H new ATOM 0 HB2 HIS A 48 13.385 -6.107 -4.832 1.00 1.27 H new ATOM 0 HB3 HIS A 48 14.038 -6.706 -6.344 1.00 1.27 H new ATOM 0 HD1 HIS A 48 12.397 -7.934 -3.158 1.00 3.21 H new ATOM 0 HD2 HIS A 48 14.449 -9.466 -6.502 1.00 3.60 H new ATOM 0 HE1 HIS A 48 11.923 -10.446 -3.224 1.00 4.53 H new ATOM 0 HE2 HIS A 48 13.149 -11.409 -5.266 1.00 4.77 H new ATOM 766 N LEU A 49 17.521 -5.445 -5.330 1.00 1.42 N ATOM 767 CA LEU A 49 18.441 -4.629 -6.126 1.00 1.39 C ATOM 768 C LEU A 49 18.474 -3.150 -5.719 1.00 1.22 C ATOM 769 O LEU A 49 19.564 -2.616 -5.531 1.00 1.32 O ATOM 770 CB LEU A 49 18.216 -4.781 -7.644 1.00 1.52 C ATOM 771 CG LEU A 49 18.631 -6.143 -8.232 1.00 2.03 C ATOM 772 CD1 LEU A 49 17.749 -7.312 -7.771 1.00 3.70 C ATOM 773 CD2 LEU A 49 18.566 -6.054 -9.761 1.00 2.47 C ATOM 0 H LEU A 49 18.012 -6.028 -4.652 1.00 1.42 H new ATOM 0 HA LEU A 49 19.427 -5.033 -5.896 1.00 1.39 H new ATOM 0 HB2 LEU A 49 17.160 -4.617 -7.857 1.00 1.52 H new ATOM 0 HB3 LEU A 49 18.771 -3.996 -8.158 1.00 1.52 H new ATOM 0 HG LEU A 49 19.639 -6.349 -7.873 1.00 2.03 H new ATOM 0 HD11 LEU A 49 18.103 -8.237 -8.227 1.00 3.70 H new ATOM 0 HD12 LEU A 49 17.799 -7.400 -6.686 1.00 3.70 H new ATOM 0 HD13 LEU A 49 16.717 -7.131 -8.073 1.00 3.70 H new ATOM 0 HD21 LEU A 49 18.857 -7.011 -10.194 1.00 2.47 H new ATOM 0 HD22 LEU A 49 17.549 -5.811 -10.068 1.00 2.47 H new ATOM 0 HD23 LEU A 49 19.246 -5.276 -10.109 1.00 2.47 H new ATOM 785 N LEU A 50 17.317 -2.488 -5.615 1.00 1.10 N ATOM 786 CA LEU A 50 17.192 -1.055 -5.329 1.00 1.06 C ATOM 787 C LEU A 50 17.731 -0.242 -6.512 1.00 1.01 C ATOM 788 O LEU A 50 18.704 0.500 -6.398 1.00 1.19 O ATOM 789 CB LEU A 50 17.848 -0.625 -4.001 1.00 1.35 C ATOM 790 CG LEU A 50 17.294 -1.246 -2.707 1.00 1.67 C ATOM 791 CD1 LEU A 50 15.772 -1.088 -2.602 1.00 2.43 C ATOM 792 CD2 LEU A 50 17.720 -2.703 -2.502 1.00 2.66 C ATOM 0 H LEU A 50 16.414 -2.949 -5.731 1.00 1.10 H new ATOM 0 HA LEU A 50 16.130 -0.848 -5.199 1.00 1.06 H new ATOM 0 HB2 LEU A 50 18.911 -0.858 -4.059 1.00 1.35 H new ATOM 0 HB3 LEU A 50 17.763 0.459 -3.918 1.00 1.35 H new ATOM 0 HG LEU A 50 17.745 -0.679 -1.893 1.00 1.67 H new ATOM 0 HD11 LEU A 50 15.422 -1.540 -1.674 1.00 2.43 H new ATOM 0 HD12 LEU A 50 15.515 -0.029 -2.609 1.00 2.43 H new ATOM 0 HD13 LEU A 50 15.296 -1.583 -3.448 1.00 2.43 H new ATOM 0 HD21 LEU A 50 17.295 -3.079 -1.571 1.00 2.66 H new ATOM 0 HD22 LEU A 50 17.361 -3.308 -3.335 1.00 2.66 H new ATOM 0 HD23 LEU A 50 18.807 -2.761 -2.453 1.00 2.66 H new ATOM 804 N LYS A 51 17.101 -0.419 -7.675 1.00 0.95 N ATOM 805 CA LYS A 51 17.459 0.261 -8.919 1.00 1.04 C ATOM 806 C LYS A 51 16.861 1.677 -8.975 1.00 1.10 C ATOM 807 O LYS A 51 17.478 2.609 -9.483 1.00 1.17 O ATOM 808 CB LYS A 51 17.043 -0.629 -10.100 1.00 1.21 C ATOM 809 CG LYS A 51 15.520 -0.795 -10.229 1.00 1.31 C ATOM 810 CD LYS A 51 14.917 0.288 -11.140 1.00 1.50 C ATOM 811 CE LYS A 51 14.542 -0.244 -12.522 1.00 1.89 C ATOM 812 NZ LYS A 51 15.738 -0.643 -13.292 1.00 2.65 N ATOM 0 H LYS A 51 16.310 -1.054 -7.779 1.00 0.95 H new ATOM 0 HA LYS A 51 18.538 0.409 -8.973 1.00 1.04 H new ATOM 0 HB2 LYS A 51 17.435 -0.202 -11.023 1.00 1.21 H new ATOM 0 HB3 LYS A 51 17.500 -1.612 -9.984 1.00 1.21 H new ATOM 0 HG2 LYS A 51 15.292 -1.782 -10.633 1.00 1.31 H new ATOM 0 HG3 LYS A 51 15.061 -0.741 -9.242 1.00 1.31 H new ATOM 0 HD2 LYS A 51 14.030 0.705 -10.663 1.00 1.50 H new ATOM 0 HD3 LYS A 51 15.632 1.103 -11.251 1.00 1.50 H new ATOM 0 HE2 LYS A 51 13.875 -1.099 -12.415 1.00 1.89 H new ATOM 0 HE3 LYS A 51 13.993 0.521 -13.071 1.00 1.89 H new ATOM 0 HZ1 LYS A 51 15.447 -0.999 -14.225 1.00 2.65 H new ATOM 0 HZ2 LYS A 51 16.362 0.180 -13.415 1.00 2.65 H new ATOM 0 HZ3 LYS A 51 16.248 -1.391 -12.779 1.00 2.65 H new ATOM 826 N ASP A 52 15.623 1.773 -8.492 1.00 1.19 N ATOM 827 CA ASP A 52 14.939 2.896 -7.887 1.00 1.32 C ATOM 828 C ASP A 52 15.251 4.281 -8.451 1.00 1.11 C ATOM 829 O ASP A 52 16.208 4.920 -8.028 1.00 1.28 O ATOM 830 CB ASP A 52 15.086 2.787 -6.359 1.00 1.76 C ATOM 831 CG ASP A 52 14.533 1.471 -5.800 1.00 2.21 C ATOM 832 OD1 ASP A 52 14.538 0.473 -6.562 1.00 3.24 O ATOM 833 OD2 ASP A 52 14.118 1.474 -4.626 1.00 2.46 O ATOM 0 H ASP A 52 15.008 0.960 -8.524 1.00 1.19 H new ATOM 0 HA ASP A 52 13.889 2.814 -8.167 1.00 1.32 H new ATOM 0 HB2 ASP A 52 16.139 2.875 -6.093 1.00 1.76 H new ATOM 0 HB3 ASP A 52 14.568 3.622 -5.888 1.00 1.76 H new ATOM 838 N VAL A 53 14.436 4.747 -9.412 1.00 1.01 N ATOM 839 CA VAL A 53 14.658 6.007 -10.108 1.00 0.96 C ATOM 840 C VAL A 53 13.381 6.850 -10.285 1.00 1.07 C ATOM 841 O VAL A 53 12.237 6.373 -10.210 1.00 1.69 O ATOM 842 CB VAL A 53 15.430 5.730 -11.410 1.00 1.43 C ATOM 843 CG1 VAL A 53 14.652 4.822 -12.371 1.00 2.06 C ATOM 844 CG2 VAL A 53 15.883 7.000 -12.144 1.00 2.07 C ATOM 0 H VAL A 53 13.601 4.250 -9.723 1.00 1.01 H new ATOM 0 HA VAL A 53 15.278 6.650 -9.484 1.00 0.96 H new ATOM 0 HB VAL A 53 16.329 5.207 -11.084 1.00 1.43 H new ATOM 0 HG11 VAL A 53 15.241 4.658 -13.274 1.00 2.06 H new ATOM 0 HG12 VAL A 53 14.454 3.865 -11.888 1.00 2.06 H new ATOM 0 HG13 VAL A 53 13.707 5.297 -12.635 1.00 2.06 H new ATOM 0 HG21 VAL A 53 16.420 6.724 -13.051 1.00 2.07 H new ATOM 0 HG22 VAL A 53 15.011 7.599 -12.406 1.00 2.07 H new ATOM 0 HG23 VAL A 53 16.540 7.580 -11.496 1.00 2.07 H new ATOM 854 N GLY A 54 13.593 8.154 -10.488 1.00 0.97 N ATOM 855 CA GLY A 54 12.565 9.159 -10.687 1.00 1.20 C ATOM 856 C GLY A 54 11.925 9.539 -9.357 1.00 1.03 C ATOM 857 O GLY A 54 12.091 10.651 -8.873 1.00 1.20 O ATOM 0 H GLY A 54 14.533 8.548 -10.518 1.00 0.97 H new ATOM 0 HA2 GLY A 54 12.998 10.043 -11.155 1.00 1.20 H new ATOM 0 HA3 GLY A 54 11.804 8.779 -11.368 1.00 1.20 H new ATOM 861 N SER A 55 11.195 8.598 -8.759 1.00 0.88 N ATOM 862 CA SER A 55 10.487 8.847 -7.510 1.00 0.87 C ATOM 863 C SER A 55 11.422 8.741 -6.303 1.00 0.75 C ATOM 864 O SER A 55 11.098 9.269 -5.238 1.00 0.78 O ATOM 865 CB SER A 55 9.242 7.968 -7.410 1.00 1.01 C ATOM 866 OG SER A 55 8.468 8.139 -8.588 1.00 1.32 O ATOM 0 H SER A 55 11.080 7.653 -9.124 1.00 0.88 H new ATOM 0 HA SER A 55 10.131 9.877 -7.506 1.00 0.87 H new ATOM 0 HB2 SER A 55 9.526 6.922 -7.293 1.00 1.01 H new ATOM 0 HB3 SER A 55 8.657 8.240 -6.531 1.00 1.01 H new ATOM 0 HG SER A 55 7.596 7.708 -8.472 1.00 1.32 H new ATOM 872 N LEU A 56 12.590 8.097 -6.476 1.00 0.70 N ATOM 873 CA LEU A 56 13.635 8.099 -5.458 1.00 0.69 C ATOM 874 C LEU A 56 13.831 9.529 -4.960 1.00 0.71 C ATOM 875 O LEU A 56 13.762 9.774 -3.764 1.00 0.68 O ATOM 876 CB LEU A 56 14.949 7.440 -5.940 1.00 0.78 C ATOM 877 CG LEU A 56 16.069 8.383 -6.442 1.00 1.85 C ATOM 878 CD1 LEU A 56 17.433 7.702 -6.381 1.00 2.30 C ATOM 879 CD2 LEU A 56 15.844 8.897 -7.871 1.00 4.23 C ATOM 0 H LEU A 56 12.826 7.570 -7.316 1.00 0.70 H new ATOM 0 HA LEU A 56 13.315 7.476 -4.622 1.00 0.69 H new ATOM 0 HB2 LEU A 56 15.350 6.846 -5.119 1.00 0.78 H new ATOM 0 HB3 LEU A 56 14.704 6.747 -6.745 1.00 0.78 H new ATOM 0 HG LEU A 56 16.041 9.240 -5.769 1.00 1.85 H new ATOM 0 HD11 LEU A 56 18.199 8.389 -6.740 1.00 2.30 H new ATOM 0 HD12 LEU A 56 17.653 7.419 -5.352 1.00 2.30 H new ATOM 0 HD13 LEU A 56 17.423 6.810 -7.008 1.00 2.30 H new ATOM 0 HD21 LEU A 56 16.668 9.552 -8.156 1.00 4.23 H new ATOM 0 HD22 LEU A 56 15.797 8.052 -8.558 1.00 4.23 H new ATOM 0 HD23 LEU A 56 14.907 9.452 -7.915 1.00 4.23 H new ATOM 891 N ASP A 57 14.027 10.451 -5.906 1.00 0.86 N ATOM 892 CA ASP A 57 14.215 11.879 -5.666 1.00 1.02 C ATOM 893 C ASP A 57 13.029 12.453 -4.885 1.00 0.98 C ATOM 894 O ASP A 57 13.196 12.921 -3.760 1.00 1.00 O ATOM 895 CB ASP A 57 14.425 12.594 -7.012 1.00 1.27 C ATOM 896 CG ASP A 57 14.226 14.101 -6.925 1.00 2.01 C ATOM 897 OD1 ASP A 57 14.418 14.696 -5.845 1.00 2.74 O ATOM 898 OD2 ASP A 57 13.751 14.702 -7.907 1.00 3.19 O ATOM 0 H ASP A 57 14.060 10.211 -6.897 1.00 0.86 H new ATOM 0 HA ASP A 57 15.102 12.039 -5.053 1.00 1.02 H new ATOM 0 HB2 ASP A 57 15.432 12.387 -7.373 1.00 1.27 H new ATOM 0 HB3 ASP A 57 13.732 12.184 -7.747 1.00 1.27 H new ATOM 903 N GLU A 58 11.824 12.382 -5.456 1.00 1.00 N ATOM 904 CA GLU A 58 10.593 12.849 -4.823 1.00 1.07 C ATOM 905 C GLU A 58 10.508 12.437 -3.350 1.00 0.95 C ATOM 906 O GLU A 58 10.206 13.246 -2.466 1.00 1.06 O ATOM 907 CB GLU A 58 9.375 12.397 -5.636 1.00 1.17 C ATOM 908 CG GLU A 58 9.351 13.070 -7.020 1.00 1.79 C ATOM 909 CD GLU A 58 9.167 14.581 -6.909 1.00 2.70 C ATOM 910 OE1 GLU A 58 8.001 14.998 -6.760 1.00 3.61 O ATOM 911 OE2 GLU A 58 10.197 15.294 -6.923 1.00 3.65 O ATOM 0 H GLU A 58 11.676 11.992 -6.387 1.00 1.00 H new ATOM 0 HA GLU A 58 10.602 13.939 -4.820 1.00 1.07 H new ATOM 0 HB2 GLU A 58 9.395 11.314 -5.755 1.00 1.17 H new ATOM 0 HB3 GLU A 58 8.461 12.641 -5.094 1.00 1.17 H new ATOM 0 HG2 GLU A 58 10.281 12.854 -7.546 1.00 1.79 H new ATOM 0 HG3 GLU A 58 8.542 12.648 -7.616 1.00 1.79 H new ATOM 918 N LYS A 59 10.817 11.173 -3.077 1.00 0.77 N ATOM 919 CA LYS A 59 10.826 10.659 -1.723 1.00 0.70 C ATOM 920 C LYS A 59 12.009 11.237 -0.939 1.00 0.66 C ATOM 921 O LYS A 59 11.833 11.718 0.178 1.00 0.69 O ATOM 922 CB LYS A 59 10.841 9.131 -1.790 1.00 0.67 C ATOM 923 CG LYS A 59 10.204 8.484 -0.555 1.00 0.72 C ATOM 924 CD LYS A 59 9.515 7.163 -0.912 1.00 0.70 C ATOM 925 CE LYS A 59 10.418 6.023 -1.377 1.00 0.70 C ATOM 926 NZ LYS A 59 11.012 6.262 -2.712 1.00 0.94 N ATOM 0 H LYS A 59 11.066 10.485 -3.787 1.00 0.77 H new ATOM 0 HA LYS A 59 9.930 10.967 -1.184 1.00 0.70 H new ATOM 0 HB2 LYS A 59 10.308 8.804 -2.683 1.00 0.67 H new ATOM 0 HB3 LYS A 59 11.870 8.785 -1.888 1.00 0.67 H new ATOM 0 HG2 LYS A 59 10.969 8.305 0.200 1.00 0.72 H new ATOM 0 HG3 LYS A 59 9.478 9.169 -0.117 1.00 0.72 H new ATOM 0 HD2 LYS A 59 8.959 6.822 -0.039 1.00 0.70 H new ATOM 0 HD3 LYS A 59 8.785 7.361 -1.697 1.00 0.70 H new ATOM 0 HE2 LYS A 59 11.218 5.881 -0.650 1.00 0.70 H new ATOM 0 HE3 LYS A 59 9.842 5.098 -1.402 1.00 0.70 H new ATOM 0 HZ1 LYS A 59 11.559 5.427 -3.003 1.00 0.94 H new ATOM 0 HZ2 LYS A 59 10.254 6.438 -3.403 1.00 0.94 H new ATOM 0 HZ3 LYS A 59 11.640 7.090 -2.669 1.00 0.94 H new ATOM 940 N MET A 60 13.208 11.217 -1.522 1.00 0.68 N ATOM 941 CA MET A 60 14.421 11.757 -0.931 1.00 0.75 C ATOM 942 C MET A 60 14.149 13.155 -0.392 1.00 0.81 C ATOM 943 O MET A 60 14.393 13.387 0.786 1.00 0.84 O ATOM 944 CB MET A 60 15.582 11.762 -1.941 1.00 0.91 C ATOM 945 CG MET A 60 16.937 12.064 -1.282 1.00 1.05 C ATOM 946 SD MET A 60 18.096 10.673 -1.195 1.00 1.92 S ATOM 947 CE MET A 60 17.155 9.506 -0.190 1.00 4.10 C ATOM 0 H MET A 60 13.361 10.812 -2.445 1.00 0.68 H new ATOM 0 HA MET A 60 14.723 11.115 -0.103 1.00 0.75 H new ATOM 0 HB2 MET A 60 15.631 10.793 -2.437 1.00 0.91 H new ATOM 0 HB3 MET A 60 15.384 12.505 -2.713 1.00 0.91 H new ATOM 0 HG2 MET A 60 17.414 12.877 -1.830 1.00 1.05 H new ATOM 0 HG3 MET A 60 16.755 12.426 -0.270 1.00 1.05 H new ATOM 0 HE1 MET A 60 17.738 8.596 -0.048 1.00 4.10 H new ATOM 0 HE2 MET A 60 16.938 9.953 0.780 1.00 4.10 H new ATOM 0 HE3 MET A 60 16.220 9.263 -0.695 1.00 4.10 H new ATOM 957 N LYS A 61 13.613 14.068 -1.212 1.00 0.89 N ATOM 958 CA LYS A 61 13.372 15.426 -0.736 1.00 0.97 C ATOM 959 C LYS A 61 12.332 15.442 0.394 1.00 0.95 C ATOM 960 O LYS A 61 12.474 16.203 1.352 1.00 1.06 O ATOM 961 CB LYS A 61 13.121 16.430 -1.879 1.00 1.10 C ATOM 962 CG LYS A 61 11.713 16.454 -2.495 1.00 1.71 C ATOM 963 CD LYS A 61 11.710 16.085 -3.980 1.00 1.73 C ATOM 964 CE LYS A 61 12.346 17.095 -4.939 1.00 2.10 C ATOM 965 NZ LYS A 61 12.462 16.517 -6.293 1.00 2.51 N ATOM 0 H LYS A 61 13.346 13.894 -2.181 1.00 0.89 H new ATOM 0 HA LYS A 61 14.293 15.793 -0.283 1.00 0.97 H new ATOM 0 HB2 LYS A 61 13.344 17.430 -1.506 1.00 1.10 H new ATOM 0 HB3 LYS A 61 13.835 16.221 -2.676 1.00 1.10 H new ATOM 0 HG2 LYS A 61 11.072 15.760 -1.951 1.00 1.71 H new ATOM 0 HG3 LYS A 61 11.284 17.448 -2.371 1.00 1.71 H new ATOM 0 HD2 LYS A 61 12.228 15.133 -4.095 1.00 1.73 H new ATOM 0 HD3 LYS A 61 10.677 15.925 -4.289 1.00 1.73 H new ATOM 0 HE2 LYS A 61 11.743 18.002 -4.974 1.00 2.10 H new ATOM 0 HE3 LYS A 61 13.332 17.382 -4.574 1.00 2.10 H new ATOM 0 HZ1 LYS A 61 12.278 17.255 -7.002 1.00 2.51 H new ATOM 0 HZ2 LYS A 61 13.421 16.138 -6.428 1.00 2.51 H new ATOM 0 HZ3 LYS A 61 11.768 15.750 -6.404 1.00 2.51 H new ATOM 979 N SER A 62 11.314 14.570 0.310 1.00 0.89 N ATOM 980 CA SER A 62 10.327 14.418 1.373 1.00 0.93 C ATOM 981 C SER A 62 11.002 14.037 2.696 1.00 0.88 C ATOM 982 O SER A 62 10.567 14.484 3.752 1.00 1.03 O ATOM 983 CB SER A 62 9.249 13.379 1.019 1.00 1.00 C ATOM 984 OG SER A 62 8.597 13.649 -0.214 1.00 1.61 O ATOM 0 H SER A 62 11.159 13.959 -0.492 1.00 0.89 H new ATOM 0 HA SER A 62 9.836 15.385 1.486 1.00 0.93 H new ATOM 0 HB2 SER A 62 9.707 12.391 0.972 1.00 1.00 H new ATOM 0 HB3 SER A 62 8.507 13.349 1.817 1.00 1.00 H new ATOM 0 HG SER A 62 9.218 13.489 -0.955 1.00 1.61 H new ATOM 990 N LEU A 63 12.039 13.193 2.652 1.00 0.78 N ATOM 991 CA LEU A 63 12.798 12.859 3.850 1.00 0.82 C ATOM 992 C LEU A 63 13.692 14.045 4.234 1.00 0.86 C ATOM 993 O LEU A 63 13.546 14.599 5.319 1.00 0.95 O ATOM 994 CB LEU A 63 13.588 11.547 3.666 1.00 0.83 C ATOM 995 CG LEU A 63 12.779 10.234 3.549 1.00 1.13 C ATOM 996 CD1 LEU A 63 11.277 10.349 3.237 1.00 1.43 C ATOM 997 CD2 LEU A 63 13.392 9.375 2.438 1.00 1.77 C ATOM 0 H LEU A 63 12.366 12.734 1.802 1.00 0.78 H new ATOM 0 HA LEU A 63 12.111 12.677 4.677 1.00 0.82 H new ATOM 0 HB2 LEU A 63 14.199 11.646 2.769 1.00 0.83 H new ATOM 0 HB3 LEU A 63 14.272 11.446 4.508 1.00 0.83 H new ATOM 0 HG LEU A 63 12.842 9.807 4.550 1.00 1.13 H new ATOM 0 HD11 LEU A 63 10.839 9.352 3.184 1.00 1.43 H new ATOM 0 HD12 LEU A 63 10.785 10.921 4.024 1.00 1.43 H new ATOM 0 HD13 LEU A 63 11.142 10.856 2.282 1.00 1.43 H new ATOM 0 HD21 LEU A 63 12.830 8.445 2.345 1.00 1.77 H new ATOM 0 HD22 LEU A 63 13.353 9.919 1.494 1.00 1.77 H new ATOM 0 HD23 LEU A 63 14.430 9.149 2.683 1.00 1.77 H new ATOM 1009 N ASP A 64 14.594 14.444 3.334 1.00 0.86 N ATOM 1010 CA ASP A 64 15.592 15.494 3.519 1.00 0.99 C ATOM 1011 C ASP A 64 15.043 16.695 4.293 1.00 1.03 C ATOM 1012 O ASP A 64 15.636 17.132 5.280 1.00 1.15 O ATOM 1013 CB ASP A 64 16.094 15.939 2.142 1.00 1.04 C ATOM 1014 CG ASP A 64 17.145 17.031 2.257 1.00 1.28 C ATOM 1015 OD1 ASP A 64 18.333 16.662 2.372 1.00 1.91 O ATOM 1016 OD2 ASP A 64 16.738 18.210 2.202 1.00 2.26 O ATOM 0 H ASP A 64 14.649 14.019 2.408 1.00 0.86 H new ATOM 0 HA ASP A 64 16.409 15.086 4.114 1.00 0.99 H new ATOM 0 HB2 ASP A 64 16.514 15.083 1.613 1.00 1.04 H new ATOM 0 HB3 ASP A 64 15.255 16.301 1.548 1.00 1.04 H new ATOM 1021 N VAL A 65 13.894 17.210 3.841 1.00 0.98 N ATOM 1022 CA VAL A 65 13.363 18.478 4.321 1.00 1.07 C ATOM 1023 C VAL A 65 13.129 18.492 5.839 1.00 1.05 C ATOM 1024 O VAL A 65 13.432 19.489 6.492 1.00 1.20 O ATOM 1025 CB VAL A 65 12.127 18.887 3.500 1.00 1.19 C ATOM 1026 CG1 VAL A 65 10.939 17.936 3.678 1.00 1.94 C ATOM 1027 CG2 VAL A 65 11.683 20.308 3.859 1.00 2.36 C ATOM 0 H VAL A 65 13.313 16.757 3.135 1.00 0.98 H new ATOM 0 HA VAL A 65 14.122 19.244 4.160 1.00 1.07 H new ATOM 0 HB VAL A 65 12.437 18.838 2.456 1.00 1.19 H new ATOM 0 HG11 VAL A 65 10.102 18.282 3.072 1.00 1.94 H new ATOM 0 HG12 VAL A 65 11.225 16.933 3.362 1.00 1.94 H new ATOM 0 HG13 VAL A 65 10.644 17.915 4.727 1.00 1.94 H new ATOM 0 HG21 VAL A 65 10.808 20.576 3.267 1.00 2.36 H new ATOM 0 HG22 VAL A 65 11.432 20.354 4.919 1.00 2.36 H new ATOM 0 HG23 VAL A 65 12.492 21.007 3.647 1.00 2.36 H new ATOM 1037 N ASN A 66 12.582 17.412 6.411 1.00 0.96 N ATOM 1038 CA ASN A 66 12.388 17.305 7.858 1.00 0.96 C ATOM 1039 C ASN A 66 12.205 15.854 8.296 1.00 0.90 C ATOM 1040 O ASN A 66 11.266 15.531 9.030 1.00 0.96 O ATOM 1041 CB ASN A 66 11.181 18.148 8.319 1.00 1.03 C ATOM 1042 CG ASN A 66 9.838 17.686 7.747 1.00 2.60 C ATOM 1043 OD1 ASN A 66 9.766 16.910 6.800 1.00 4.40 O ATOM 1044 ND2 ASN A 66 8.739 18.167 8.322 1.00 3.43 N ATOM 0 H ASN A 66 12.265 16.596 5.887 1.00 0.96 H new ATOM 0 HA ASN A 66 13.291 17.693 8.330 1.00 0.96 H new ATOM 0 HB2 ASN A 66 11.128 18.122 9.407 1.00 1.03 H new ATOM 0 HB3 ASN A 66 11.347 19.187 8.033 1.00 1.03 H new ATOM 0 HD21 ASN A 66 7.820 17.891 7.976 1.00 3.43 H new ATOM 0 HD22 ASN A 66 8.815 18.812 9.109 1.00 3.43 H new ATOM 1051 N GLN A 67 13.167 14.995 7.953 1.00 0.88 N ATOM 1052 CA GLN A 67 13.118 13.584 8.307 1.00 0.86 C ATOM 1053 C GLN A 67 12.959 13.370 9.810 1.00 1.00 C ATOM 1054 O GLN A 67 12.405 12.368 10.262 1.00 1.09 O ATOM 1055 CB GLN A 67 14.356 12.808 7.844 1.00 0.88 C ATOM 1056 CG GLN A 67 15.703 13.380 8.325 1.00 1.01 C ATOM 1057 CD GLN A 67 16.209 14.417 7.340 1.00 1.82 C ATOM 1058 OE1 GLN A 67 16.689 14.030 6.279 1.00 2.68 O ATOM 1059 NE2 GLN A 67 16.066 15.700 7.652 1.00 2.36 N ATOM 0 H GLN A 67 13.997 15.261 7.424 1.00 0.88 H new ATOM 0 HA GLN A 67 12.242 13.200 7.785 1.00 0.86 H new ATOM 0 HB2 GLN A 67 14.271 11.778 8.191 1.00 0.88 H new ATOM 0 HB3 GLN A 67 14.360 12.777 6.754 1.00 0.88 H new ATOM 0 HG2 GLN A 67 15.585 13.830 9.311 1.00 1.01 H new ATOM 0 HG3 GLN A 67 16.433 12.577 8.427 1.00 1.01 H new ATOM 0 HE21 GLN A 67 15.660 15.964 8.550 1.00 2.36 H new ATOM 0 HE22 GLN A 67 16.362 16.421 6.994 1.00 2.36 H new ATOM 1068 N ASP A 68 13.505 14.328 10.551 1.00 1.15 N ATOM 1069 CA ASP A 68 13.596 14.415 11.989 1.00 1.42 C ATOM 1070 C ASP A 68 12.203 14.354 12.624 1.00 1.53 C ATOM 1071 O ASP A 68 12.068 14.024 13.801 1.00 1.88 O ATOM 1072 CB ASP A 68 14.303 15.744 12.328 1.00 1.63 C ATOM 1073 CG ASP A 68 15.532 16.035 11.462 1.00 3.52 C ATOM 1074 OD1 ASP A 68 15.332 16.194 10.230 1.00 4.72 O ATOM 1075 OD2 ASP A 68 16.641 16.077 12.032 1.00 4.66 O ATOM 0 H ASP A 68 13.935 15.139 10.107 1.00 1.15 H new ATOM 0 HA ASP A 68 14.164 13.575 12.389 1.00 1.42 H new ATOM 0 HB2 ASP A 68 13.591 16.561 12.216 1.00 1.63 H new ATOM 0 HB3 ASP A 68 14.605 15.726 13.375 1.00 1.63 H new ATOM 1080 N SER A 69 11.169 14.697 11.846 1.00 1.35 N ATOM 1081 CA SER A 69 9.777 14.530 12.226 1.00 1.42 C ATOM 1082 C SER A 69 9.413 13.040 12.322 1.00 1.57 C ATOM 1083 O SER A 69 10.270 12.159 12.265 1.00 2.72 O ATOM 1084 CB SER A 69 8.896 15.247 11.190 1.00 1.32 C ATOM 1085 OG SER A 69 9.438 16.511 10.862 1.00 2.54 O ATOM 0 H SER A 69 11.288 15.105 10.919 1.00 1.35 H new ATOM 0 HA SER A 69 9.610 14.968 13.210 1.00 1.42 H new ATOM 0 HB2 SER A 69 8.814 14.637 10.291 1.00 1.32 H new ATOM 0 HB3 SER A 69 7.888 15.370 11.585 1.00 1.32 H new ATOM 0 HG SER A 69 10.065 16.414 10.115 1.00 2.54 H new ATOM 1091 N GLU A 70 8.113 12.757 12.409 1.00 0.99 N ATOM 1092 CA GLU A 70 7.568 11.414 12.284 1.00 0.93 C ATOM 1093 C GLU A 70 6.564 11.390 11.149 1.00 1.04 C ATOM 1094 O GLU A 70 5.937 12.409 10.852 1.00 1.40 O ATOM 1095 CB GLU A 70 6.928 10.947 13.595 1.00 1.04 C ATOM 1096 CG GLU A 70 8.019 10.430 14.537 1.00 2.30 C ATOM 1097 CD GLU A 70 7.486 10.073 15.914 1.00 3.08 C ATOM 1098 OE1 GLU A 70 6.302 10.356 16.206 1.00 3.14 O ATOM 1099 OE2 GLU A 70 8.245 9.492 16.722 1.00 4.31 O ATOM 0 H GLU A 70 7.401 13.469 12.571 1.00 0.99 H new ATOM 0 HA GLU A 70 8.380 10.721 12.062 1.00 0.93 H new ATOM 0 HB2 GLU A 70 6.388 11.770 14.063 1.00 1.04 H new ATOM 0 HB3 GLU A 70 6.200 10.160 13.397 1.00 1.04 H new ATOM 0 HG2 GLU A 70 8.488 9.551 14.095 1.00 2.30 H new ATOM 0 HG3 GLU A 70 8.795 11.189 14.638 1.00 2.30 H new ATOM 1106 N LEU A 71 6.426 10.216 10.537 1.00 1.05 N ATOM 1107 CA LEU A 71 5.392 9.939 9.549 1.00 1.19 C ATOM 1108 C LEU A 71 4.269 9.132 10.202 1.00 1.05 C ATOM 1109 O LEU A 71 4.334 8.817 11.391 1.00 1.16 O ATOM 1110 CB LEU A 71 5.976 9.335 8.257 1.00 1.64 C ATOM 1111 CG LEU A 71 7.093 8.297 8.393 1.00 1.38 C ATOM 1112 CD1 LEU A 71 6.575 7.019 9.041 1.00 2.61 C ATOM 1113 CD2 LEU A 71 7.599 7.963 6.987 1.00 1.89 C ATOM 0 H LEU A 71 7.039 9.421 10.718 1.00 1.05 H new ATOM 0 HA LEU A 71 4.940 10.870 9.208 1.00 1.19 H new ATOM 0 HB2 LEU A 71 5.158 8.875 7.703 1.00 1.64 H new ATOM 0 HB3 LEU A 71 6.354 10.155 7.646 1.00 1.64 H new ATOM 0 HG LEU A 71 7.887 8.704 9.018 1.00 1.38 H new ATOM 0 HD11 LEU A 71 7.388 6.298 9.126 1.00 2.61 H new ATOM 0 HD12 LEU A 71 6.187 7.246 10.034 1.00 2.61 H new ATOM 0 HD13 LEU A 71 5.779 6.597 8.428 1.00 2.61 H new ATOM 0 HD21 LEU A 71 8.397 7.224 7.054 1.00 1.89 H new ATOM 0 HD22 LEU A 71 6.780 7.560 6.392 1.00 1.89 H new ATOM 0 HD23 LEU A 71 7.981 8.867 6.513 1.00 1.89 H new ATOM 1125 N LYS A 72 3.204 8.856 9.447 1.00 0.90 N ATOM 1126 CA LYS A 72 2.027 8.122 9.887 1.00 0.86 C ATOM 1127 C LYS A 72 1.617 7.190 8.749 1.00 0.78 C ATOM 1128 O LYS A 72 2.063 7.396 7.612 1.00 0.76 O ATOM 1129 CB LYS A 72 0.897 9.100 10.239 1.00 0.92 C ATOM 1130 CG LYS A 72 1.268 9.920 11.480 1.00 1.04 C ATOM 1131 CD LYS A 72 0.118 10.844 11.896 1.00 1.96 C ATOM 1132 CE LYS A 72 0.529 11.642 13.142 1.00 2.54 C ATOM 1133 NZ LYS A 72 -0.519 12.592 13.570 1.00 4.34 N ATOM 0 H LYS A 72 3.140 9.152 8.473 1.00 0.90 H new ATOM 0 HA LYS A 72 2.241 7.540 10.783 1.00 0.86 H new ATOM 0 HB2 LYS A 72 0.709 9.767 9.397 1.00 0.92 H new ATOM 0 HB3 LYS A 72 -0.026 8.549 10.422 1.00 0.92 H new ATOM 0 HG2 LYS A 72 1.515 9.249 12.303 1.00 1.04 H new ATOM 0 HG3 LYS A 72 2.159 10.513 11.274 1.00 1.04 H new ATOM 0 HD2 LYS A 72 -0.130 11.524 11.081 1.00 1.96 H new ATOM 0 HD3 LYS A 72 -0.777 10.258 12.105 1.00 1.96 H new ATOM 0 HE2 LYS A 72 0.746 10.952 13.957 1.00 2.54 H new ATOM 0 HE3 LYS A 72 1.449 12.189 12.934 1.00 2.54 H new ATOM 0 HZ1 LYS A 72 -0.197 13.107 14.414 1.00 4.34 H new ATOM 0 HZ2 LYS A 72 -0.709 13.268 12.803 1.00 4.34 H new ATOM 0 HZ3 LYS A 72 -1.390 12.070 13.795 1.00 4.34 H new ATOM 1147 N PHE A 73 0.781 6.188 9.053 1.00 0.81 N ATOM 1148 CA PHE A 73 0.496 5.087 8.129 1.00 0.81 C ATOM 1149 C PHE A 73 0.188 5.568 6.709 1.00 0.66 C ATOM 1150 O PHE A 73 0.645 4.977 5.734 1.00 0.59 O ATOM 1151 CB PHE A 73 -0.616 4.159 8.655 1.00 0.98 C ATOM 1152 CG PHE A 73 -1.950 4.851 8.861 1.00 0.88 C ATOM 1153 CD1 PHE A 73 -2.840 5.042 7.787 1.00 2.22 C ATOM 1154 CD2 PHE A 73 -2.232 5.440 10.102 1.00 1.99 C ATOM 1155 CE1 PHE A 73 -3.904 5.951 7.915 1.00 2.99 C ATOM 1156 CE2 PHE A 73 -3.277 6.365 10.229 1.00 2.61 C ATOM 1157 CZ PHE A 73 -4.089 6.652 9.123 1.00 2.77 C ATOM 0 H PHE A 73 0.286 6.120 9.942 1.00 0.81 H new ATOM 0 HA PHE A 73 1.414 4.503 8.073 1.00 0.81 H new ATOM 0 HB2 PHE A 73 -0.750 3.335 7.954 1.00 0.98 H new ATOM 0 HB3 PHE A 73 -0.294 3.723 9.601 1.00 0.98 H new ATOM 0 HD1 PHE A 73 -2.705 4.492 6.868 1.00 2.22 H new ATOM 0 HD2 PHE A 73 -1.639 5.179 10.966 1.00 1.99 H new ATOM 0 HE1 PHE A 73 -4.579 6.112 7.088 1.00 2.99 H new ATOM 0 HE2 PHE A 73 -3.456 6.855 11.175 1.00 2.61 H new ATOM 0 HZ PHE A 73 -4.855 7.409 9.197 1.00 2.77 H new ATOM 1167 N ASN A 74 -0.592 6.643 6.590 1.00 0.69 N ATOM 1168 CA ASN A 74 -1.057 7.169 5.314 1.00 0.67 C ATOM 1169 C ASN A 74 0.080 7.723 4.450 1.00 0.57 C ATOM 1170 O ASN A 74 0.080 7.481 3.243 1.00 0.62 O ATOM 1171 CB ASN A 74 -2.189 8.184 5.492 1.00 0.83 C ATOM 1172 CG ASN A 74 -1.883 9.281 6.503 1.00 2.00 C ATOM 1173 OD1 ASN A 74 -1.456 10.371 6.148 1.00 2.49 O ATOM 1174 ND2 ASN A 74 -2.125 9.015 7.786 1.00 3.70 N ATOM 0 H ASN A 74 -0.922 7.179 7.393 1.00 0.69 H new ATOM 0 HA ASN A 74 -1.469 6.321 4.767 1.00 0.67 H new ATOM 0 HB2 ASN A 74 -2.407 8.643 4.528 1.00 0.83 H new ATOM 0 HB3 ASN A 74 -3.090 7.657 5.805 1.00 0.83 H new ATOM 0 HD21 ASN A 74 -1.954 9.728 8.496 1.00 3.70 H new ATOM 0 HD22 ASN A 74 -2.481 8.099 8.059 1.00 3.70 H new ATOM 1181 N GLU A 75 1.054 8.451 5.016 1.00 0.55 N ATOM 1182 CA GLU A 75 2.169 8.917 4.191 1.00 0.57 C ATOM 1183 C GLU A 75 3.200 7.806 3.993 1.00 0.47 C ATOM 1184 O GLU A 75 3.734 7.650 2.893 1.00 0.47 O ATOM 1185 CB GLU A 75 2.791 10.243 4.655 1.00 1.08 C ATOM 1186 CG GLU A 75 3.730 10.689 3.518 1.00 2.44 C ATOM 1187 CD GLU A 75 4.158 12.140 3.530 1.00 3.32 C ATOM 1188 OE1 GLU A 75 4.198 12.735 4.624 1.00 3.41 O ATOM 1189 OE2 GLU A 75 4.457 12.603 2.404 1.00 4.78 O ATOM 0 H GLU A 75 1.092 8.719 5.999 1.00 0.55 H new ATOM 0 HA GLU A 75 1.748 9.159 3.215 1.00 0.57 H new ATOM 0 HB2 GLU A 75 2.021 10.991 4.842 1.00 1.08 H new ATOM 0 HB3 GLU A 75 3.341 10.112 5.587 1.00 1.08 H new ATOM 0 HG2 GLU A 75 4.625 10.068 3.551 1.00 2.44 H new ATOM 0 HG3 GLU A 75 3.236 10.486 2.568 1.00 2.44 H new ATOM 1196 N TYR A 76 3.442 6.990 5.028 1.00 0.54 N ATOM 1197 CA TYR A 76 4.186 5.744 4.852 1.00 0.59 C ATOM 1198 C TYR A 76 3.649 5.032 3.605 1.00 0.53 C ATOM 1199 O TYR A 76 4.417 4.594 2.752 1.00 0.53 O ATOM 1200 CB TYR A 76 4.054 4.888 6.116 1.00 0.76 C ATOM 1201 CG TYR A 76 4.771 3.548 6.114 1.00 1.11 C ATOM 1202 CD1 TYR A 76 4.241 2.467 5.379 1.00 1.44 C ATOM 1203 CD2 TYR A 76 5.778 3.302 7.067 1.00 2.60 C ATOM 1204 CE1 TYR A 76 4.665 1.153 5.640 1.00 1.64 C ATOM 1205 CE2 TYR A 76 6.189 1.985 7.340 1.00 2.99 C ATOM 1206 CZ TYR A 76 5.611 0.910 6.648 1.00 2.01 C ATOM 1207 OH TYR A 76 5.959 -0.367 6.971 1.00 2.58 O ATOM 0 H TYR A 76 3.136 7.171 5.984 1.00 0.54 H new ATOM 0 HA TYR A 76 5.249 5.936 4.704 1.00 0.59 H new ATOM 0 HB2 TYR A 76 4.424 5.470 6.960 1.00 0.76 H new ATOM 0 HB3 TYR A 76 2.994 4.706 6.294 1.00 0.76 H new ATOM 0 HD1 TYR A 76 3.505 2.650 4.611 1.00 1.44 H new ATOM 0 HD2 TYR A 76 6.237 4.128 7.590 1.00 2.60 H new ATOM 0 HE1 TYR A 76 4.264 0.331 5.066 1.00 1.64 H new ATOM 0 HE2 TYR A 76 6.951 1.801 8.083 1.00 2.99 H new ATOM 0 HH TYR A 76 6.627 -0.353 7.688 1.00 2.58 H new ATOM 1217 N TRP A 77 2.319 4.983 3.480 1.00 0.53 N ATOM 1218 CA TRP A 77 1.639 4.449 2.320 1.00 0.53 C ATOM 1219 C TRP A 77 2.193 4.991 1.000 1.00 0.50 C ATOM 1220 O TRP A 77 2.849 4.251 0.268 1.00 0.49 O ATOM 1221 CB TRP A 77 0.126 4.665 2.434 1.00 0.56 C ATOM 1222 CG TRP A 77 -0.615 3.514 1.922 1.00 0.56 C ATOM 1223 CD1 TRP A 77 -0.868 3.335 0.621 1.00 0.65 C ATOM 1224 CD2 TRP A 77 -1.225 2.411 2.639 1.00 0.51 C ATOM 1225 NE1 TRP A 77 -1.519 2.137 0.462 1.00 0.67 N ATOM 1226 CE2 TRP A 77 -1.792 1.535 1.675 1.00 0.58 C ATOM 1227 CE3 TRP A 77 -1.408 2.092 4.001 1.00 0.47 C ATOM 1228 CZ2 TRP A 77 -2.480 0.375 2.050 1.00 0.59 C ATOM 1229 CZ3 TRP A 77 -2.133 0.948 4.369 1.00 0.49 C ATOM 1230 CH2 TRP A 77 -2.617 0.066 3.403 1.00 0.55 C ATOM 0 H TRP A 77 1.683 5.322 4.202 1.00 0.53 H new ATOM 0 HA TRP A 77 1.832 3.376 2.303 1.00 0.53 H new ATOM 0 HB2 TRP A 77 -0.141 4.838 3.477 1.00 0.56 H new ATOM 0 HB3 TRP A 77 -0.159 5.559 1.880 1.00 0.56 H new ATOM 0 HD1 TRP A 77 -0.604 4.019 -0.172 1.00 0.65 H new ATOM 0 HE1 TRP A 77 -1.771 1.739 -0.443 1.00 0.67 H new ATOM 0 HE3 TRP A 77 -0.988 2.731 4.764 1.00 0.47 H new ATOM 0 HZ2 TRP A 77 -2.901 -0.275 1.298 1.00 0.59 H new ATOM 0 HZ3 TRP A 77 -2.319 0.748 5.414 1.00 0.49 H new ATOM 0 HH2 TRP A 77 -3.097 -0.854 3.702 1.00 0.55 H new ATOM 1241 N ARG A 78 1.911 6.258 0.663 1.00 0.53 N ATOM 1242 CA ARG A 78 2.395 6.843 -0.583 1.00 0.53 C ATOM 1243 C ARG A 78 3.905 6.609 -0.769 1.00 0.53 C ATOM 1244 O ARG A 78 4.328 6.275 -1.875 1.00 0.58 O ATOM 1245 CB ARG A 78 1.943 8.311 -0.736 1.00 0.63 C ATOM 1246 CG ARG A 78 2.647 9.383 0.114 1.00 1.63 C ATOM 1247 CD ARG A 78 3.837 9.988 -0.641 1.00 3.12 C ATOM 1248 NE ARG A 78 4.479 11.128 0.061 1.00 3.58 N ATOM 1249 CZ ARG A 78 5.583 11.774 -0.360 1.00 4.94 C ATOM 1250 NH1 ARG A 78 6.177 11.453 -1.510 1.00 6.26 N ATOM 1251 NH2 ARG A 78 6.100 12.747 0.390 1.00 5.41 N ATOM 0 H ARG A 78 1.352 6.890 1.237 1.00 0.53 H new ATOM 0 HA ARG A 78 1.926 6.320 -1.416 1.00 0.53 H new ATOM 0 HB2 ARG A 78 2.060 8.588 -1.784 1.00 0.63 H new ATOM 0 HB3 ARG A 78 0.877 8.356 -0.512 1.00 0.63 H new ATOM 0 HG2 ARG A 78 1.938 10.170 0.374 1.00 1.63 H new ATOM 0 HG3 ARG A 78 2.991 8.942 1.050 1.00 1.63 H new ATOM 0 HD2 ARG A 78 4.582 9.210 -0.807 1.00 3.12 H new ATOM 0 HD3 ARG A 78 3.500 10.322 -1.622 1.00 3.12 H new ATOM 0 HE ARG A 78 4.050 11.447 0.930 1.00 3.58 H new ATOM 0 HH11 ARG A 78 5.796 10.705 -2.090 1.00 6.26 H new ATOM 0 HH12 ARG A 78 7.012 11.955 -1.810 1.00 6.26 H new ATOM 0 HH21 ARG A 78 5.660 12.997 1.275 1.00 5.41 H new ATOM 0 HH22 ARG A 78 6.936 13.241 0.079 1.00 5.41 H new ATOM 1265 N LEU A 79 4.711 6.707 0.301 1.00 0.52 N ATOM 1266 CA LEU A 79 6.138 6.388 0.225 1.00 0.55 C ATOM 1267 C LEU A 79 6.368 4.962 -0.291 1.00 0.51 C ATOM 1268 O LEU A 79 7.133 4.786 -1.244 1.00 0.53 O ATOM 1269 CB LEU A 79 6.861 6.578 1.573 1.00 0.63 C ATOM 1270 CG LEU A 79 7.331 8.000 1.959 1.00 0.79 C ATOM 1271 CD1 LEU A 79 6.565 9.134 1.281 1.00 0.89 C ATOM 1272 CD2 LEU A 79 7.226 8.200 3.476 1.00 0.98 C ATOM 0 H LEU A 79 4.396 7.004 1.224 1.00 0.52 H new ATOM 0 HA LEU A 79 6.566 7.096 -0.485 1.00 0.55 H new ATOM 0 HB2 LEU A 79 6.196 6.223 2.360 1.00 0.63 H new ATOM 0 HB3 LEU A 79 7.735 5.927 1.576 1.00 0.63 H new ATOM 0 HG LEU A 79 8.362 8.055 1.610 1.00 0.79 H new ATOM 0 HD11 LEU A 79 6.965 10.092 1.613 1.00 0.89 H new ATOM 0 HD12 LEU A 79 6.673 9.051 0.200 1.00 0.89 H new ATOM 0 HD13 LEU A 79 5.510 9.070 1.546 1.00 0.89 H new ATOM 0 HD21 LEU A 79 7.560 9.205 3.734 1.00 0.98 H new ATOM 0 HD22 LEU A 79 6.190 8.070 3.789 1.00 0.98 H new ATOM 0 HD23 LEU A 79 7.853 7.467 3.984 1.00 0.98 H new ATOM 1284 N ILE A 80 5.761 3.928 0.314 1.00 0.52 N ATOM 1285 CA ILE A 80 5.972 2.585 -0.223 1.00 0.53 C ATOM 1286 C ILE A 80 5.400 2.493 -1.642 1.00 0.51 C ATOM 1287 O ILE A 80 5.945 1.757 -2.448 1.00 0.56 O ATOM 1288 CB ILE A 80 5.542 1.404 0.680 1.00 0.53 C ATOM 1289 CG1 ILE A 80 4.132 0.913 0.322 1.00 0.55 C ATOM 1290 CG2 ILE A 80 5.659 1.677 2.179 1.00 0.67 C ATOM 1291 CD1 ILE A 80 3.678 -0.363 1.023 1.00 0.46 C ATOM 0 H ILE A 80 5.153 3.991 1.131 1.00 0.52 H new ATOM 0 HA ILE A 80 7.054 2.455 -0.257 1.00 0.53 H new ATOM 0 HB ILE A 80 6.261 0.612 0.471 1.00 0.53 H new ATOM 0 HG12 ILE A 80 3.421 1.706 0.555 1.00 0.55 H new ATOM 0 HG13 ILE A 80 4.087 0.750 -0.755 1.00 0.55 H new ATOM 0 HG21 ILE A 80 5.337 0.797 2.735 1.00 0.67 H new ATOM 0 HG22 ILE A 80 6.696 1.905 2.428 1.00 0.67 H new ATOM 0 HG23 ILE A 80 5.028 2.525 2.445 1.00 0.67 H new ATOM 0 HD11 ILE A 80 2.670 -0.618 0.697 1.00 0.46 H new ATOM 0 HD12 ILE A 80 4.358 -1.177 0.772 1.00 0.46 H new ATOM 0 HD13 ILE A 80 3.682 -0.207 2.102 1.00 0.46 H new ATOM 1303 N GLY A 81 4.308 3.200 -1.957 1.00 0.48 N ATOM 1304 CA GLY A 81 3.794 3.322 -3.323 1.00 0.48 C ATOM 1305 C GLY A 81 4.897 3.693 -4.308 1.00 0.52 C ATOM 1306 O GLY A 81 5.174 2.971 -5.268 1.00 0.71 O ATOM 0 H GLY A 81 3.754 3.706 -1.266 1.00 0.48 H new ATOM 0 HA2 GLY A 81 3.337 2.380 -3.626 1.00 0.48 H new ATOM 0 HA3 GLY A 81 3.011 4.079 -3.351 1.00 0.48 H new ATOM 1310 N GLU A 82 5.540 4.827 -4.041 1.00 0.43 N ATOM 1311 CA GLU A 82 6.670 5.308 -4.810 1.00 0.46 C ATOM 1312 C GLU A 82 7.753 4.220 -4.881 1.00 0.49 C ATOM 1313 O GLU A 82 8.203 3.870 -5.971 1.00 0.58 O ATOM 1314 CB GLU A 82 7.143 6.621 -4.175 1.00 0.47 C ATOM 1315 CG GLU A 82 6.089 7.726 -4.373 1.00 0.69 C ATOM 1316 CD GLU A 82 6.237 8.876 -3.389 1.00 1.58 C ATOM 1317 OE1 GLU A 82 7.307 9.003 -2.758 1.00 2.72 O ATOM 1318 OE2 GLU A 82 5.259 9.642 -3.244 1.00 2.54 O ATOM 0 H GLU A 82 5.281 5.443 -3.270 1.00 0.43 H new ATOM 0 HA GLU A 82 6.401 5.519 -5.845 1.00 0.46 H new ATOM 0 HB2 GLU A 82 7.327 6.472 -3.111 1.00 0.47 H new ATOM 0 HB3 GLU A 82 8.089 6.928 -4.622 1.00 0.47 H new ATOM 0 HG2 GLU A 82 6.164 8.113 -5.389 1.00 0.69 H new ATOM 0 HG3 GLU A 82 5.094 7.293 -4.270 1.00 0.69 H new ATOM 1325 N LEU A 83 8.118 3.621 -3.741 1.00 0.50 N ATOM 1326 CA LEU A 83 9.102 2.544 -3.692 1.00 0.62 C ATOM 1327 C LEU A 83 8.717 1.373 -4.623 1.00 0.74 C ATOM 1328 O LEU A 83 9.518 0.916 -5.441 1.00 0.78 O ATOM 1329 CB LEU A 83 9.299 2.095 -2.233 1.00 0.76 C ATOM 1330 CG LEU A 83 10.727 1.636 -1.895 1.00 1.19 C ATOM 1331 CD1 LEU A 83 11.278 0.660 -2.931 1.00 2.03 C ATOM 1332 CD2 LEU A 83 11.713 2.791 -1.705 1.00 2.41 C ATOM 0 H LEU A 83 7.737 3.873 -2.829 1.00 0.50 H new ATOM 0 HA LEU A 83 10.055 2.918 -4.066 1.00 0.62 H new ATOM 0 HB2 LEU A 83 9.030 2.920 -1.573 1.00 0.76 H new ATOM 0 HB3 LEU A 83 8.609 1.279 -2.021 1.00 0.76 H new ATOM 0 HG LEU A 83 10.632 1.124 -0.937 1.00 1.19 H new ATOM 0 HD11 LEU A 83 12.289 0.364 -2.650 1.00 2.03 H new ATOM 0 HD12 LEU A 83 10.640 -0.223 -2.975 1.00 2.03 H new ATOM 0 HD13 LEU A 83 11.299 1.141 -3.909 1.00 2.03 H new ATOM 0 HD21 LEU A 83 12.700 2.392 -1.469 1.00 2.41 H new ATOM 0 HD22 LEU A 83 11.768 3.377 -2.623 1.00 2.41 H new ATOM 0 HD23 LEU A 83 11.374 3.428 -0.888 1.00 2.41 H new ATOM 1344 N ALA A 84 7.479 0.873 -4.525 1.00 0.86 N ATOM 1345 CA ALA A 84 6.957 -0.198 -5.352 1.00 1.12 C ATOM 1346 C ALA A 84 7.185 0.081 -6.834 1.00 1.18 C ATOM 1347 O ALA A 84 7.486 -0.851 -7.585 1.00 1.41 O ATOM 1348 CB ALA A 84 5.462 -0.380 -5.071 1.00 1.16 C ATOM 0 H ALA A 84 6.801 1.219 -3.846 1.00 0.86 H new ATOM 0 HA ALA A 84 7.490 -1.115 -5.103 1.00 1.12 H new ATOM 0 HB1 ALA A 84 5.070 -1.185 -5.693 1.00 1.16 H new ATOM 0 HB2 ALA A 84 5.317 -0.630 -4.020 1.00 1.16 H new ATOM 0 HB3 ALA A 84 4.933 0.545 -5.300 1.00 1.16 H new ATOM 1354 N LYS A 85 6.986 1.343 -7.234 1.00 1.06 N ATOM 1355 CA LYS A 85 7.169 1.830 -8.594 1.00 1.16 C ATOM 1356 C LYS A 85 8.652 1.900 -8.938 1.00 1.10 C ATOM 1357 O LYS A 85 9.042 1.494 -10.032 1.00 1.31 O ATOM 1358 CB LYS A 85 6.435 3.177 -8.741 1.00 1.27 C ATOM 1359 CG LYS A 85 6.794 4.001 -9.988 1.00 1.37 C ATOM 1360 CD LYS A 85 7.990 4.936 -9.736 1.00 2.12 C ATOM 1361 CE LYS A 85 8.225 5.869 -10.926 1.00 2.77 C ATOM 1362 NZ LYS A 85 9.386 6.758 -10.695 1.00 3.52 N ATOM 0 H LYS A 85 6.682 2.074 -6.591 1.00 1.06 H new ATOM 0 HA LYS A 85 6.732 1.140 -9.316 1.00 1.16 H new ATOM 0 HB2 LYS A 85 5.362 2.985 -8.752 1.00 1.27 H new ATOM 0 HB3 LYS A 85 6.642 3.781 -7.857 1.00 1.27 H new ATOM 0 HG2 LYS A 85 7.028 3.328 -10.813 1.00 1.37 H new ATOM 0 HG3 LYS A 85 5.930 4.591 -10.294 1.00 1.37 H new ATOM 0 HD2 LYS A 85 7.810 5.527 -8.838 1.00 2.12 H new ATOM 0 HD3 LYS A 85 8.886 4.343 -9.553 1.00 2.12 H new ATOM 0 HE2 LYS A 85 8.391 5.278 -11.826 1.00 2.77 H new ATOM 0 HE3 LYS A 85 7.333 6.471 -11.100 1.00 2.77 H new ATOM 0 HZ1 LYS A 85 9.529 7.366 -11.527 1.00 3.52 H new ATOM 0 HZ2 LYS A 85 9.208 7.351 -9.859 1.00 3.52 H new ATOM 0 HZ3 LYS A 85 10.238 6.183 -10.537 1.00 3.52 H new ATOM 1376 N GLU A 86 9.460 2.448 -8.029 1.00 0.84 N ATOM 1377 CA GLU A 86 10.901 2.581 -8.163 1.00 0.73 C ATOM 1378 C GLU A 86 11.500 1.227 -8.566 1.00 0.77 C ATOM 1379 O GLU A 86 11.963 1.085 -9.698 1.00 0.84 O ATOM 1380 CB GLU A 86 11.447 3.197 -6.864 1.00 0.61 C ATOM 1381 CG GLU A 86 11.295 4.727 -6.871 1.00 0.83 C ATOM 1382 CD GLU A 86 11.232 5.292 -5.460 1.00 1.12 C ATOM 1383 OE1 GLU A 86 12.099 4.957 -4.627 1.00 1.95 O ATOM 1384 OE2 GLU A 86 10.308 6.084 -5.174 1.00 2.31 O ATOM 0 H GLU A 86 9.110 2.824 -7.148 1.00 0.84 H new ATOM 0 HA GLU A 86 11.193 3.261 -8.963 1.00 0.73 H new ATOM 0 HB2 GLU A 86 10.916 2.780 -6.009 1.00 0.61 H new ATOM 0 HB3 GLU A 86 12.498 2.933 -6.746 1.00 0.61 H new ATOM 0 HG2 GLU A 86 12.134 5.174 -7.405 1.00 0.83 H new ATOM 0 HG3 GLU A 86 10.390 5.000 -7.413 1.00 0.83 H new ATOM 1391 N ILE A 87 11.398 0.197 -7.722 1.00 0.76 N ATOM 1392 CA ILE A 87 11.800 -1.151 -8.108 1.00 0.81 C ATOM 1393 C ILE A 87 10.664 -1.791 -8.916 1.00 0.80 C ATOM 1394 O ILE A 87 9.893 -2.620 -8.419 1.00 0.92 O ATOM 1395 CB ILE A 87 12.283 -1.989 -6.901 1.00 0.91 C ATOM 1396 CG1 ILE A 87 12.603 -3.456 -7.248 1.00 1.43 C ATOM 1397 CG2 ILE A 87 11.340 -1.939 -5.695 1.00 1.10 C ATOM 1398 CD1 ILE A 87 13.610 -3.595 -8.394 1.00 1.16 C ATOM 0 H ILE A 87 11.041 0.274 -6.770 1.00 0.76 H new ATOM 0 HA ILE A 87 12.677 -1.108 -8.754 1.00 0.81 H new ATOM 0 HB ILE A 87 13.215 -1.500 -6.619 1.00 0.91 H new ATOM 0 HG12 ILE A 87 12.997 -3.955 -6.363 1.00 1.43 H new ATOM 0 HG13 ILE A 87 11.680 -3.969 -7.519 1.00 1.43 H new ATOM 0 HG21 ILE A 87 11.747 -2.551 -4.890 1.00 1.10 H new ATOM 0 HG22 ILE A 87 11.240 -0.909 -5.353 1.00 1.10 H new ATOM 0 HG23 ILE A 87 10.361 -2.322 -5.983 1.00 1.10 H new ATOM 0 HD11 ILE A 87 13.794 -4.651 -8.591 1.00 1.16 H new ATOM 0 HD12 ILE A 87 13.208 -3.123 -9.291 1.00 1.16 H new ATOM 0 HD13 ILE A 87 14.546 -3.109 -8.117 1.00 1.16 H new ATOM 1410 N ARG A 88 10.595 -1.449 -10.207 1.00 0.88 N ATOM 1411 CA ARG A 88 9.567 -1.983 -11.092 1.00 1.01 C ATOM 1412 C ARG A 88 10.006 -3.391 -11.515 1.00 0.95 C ATOM 1413 O ARG A 88 10.760 -3.579 -12.466 1.00 1.21 O ATOM 1414 CB ARG A 88 9.290 -1.054 -12.296 1.00 1.43 C ATOM 1415 CG ARG A 88 7.786 -0.743 -12.416 1.00 2.27 C ATOM 1416 CD ARG A 88 7.434 -0.045 -13.740 1.00 2.65 C ATOM 1417 NE ARG A 88 6.168 0.712 -13.650 1.00 3.89 N ATOM 1418 CZ ARG A 88 4.906 0.266 -13.820 1.00 5.44 C ATOM 1419 NH1 ARG A 88 4.636 -0.996 -14.157 1.00 6.34 N ATOM 1420 NH2 ARG A 88 3.878 1.096 -13.646 1.00 6.64 N ATOM 0 H ARG A 88 11.243 -0.803 -10.658 1.00 0.88 H new ATOM 0 HA ARG A 88 8.614 -2.041 -10.567 1.00 1.01 H new ATOM 0 HB2 ARG A 88 9.849 -0.126 -12.180 1.00 1.43 H new ATOM 0 HB3 ARG A 88 9.642 -1.526 -13.213 1.00 1.43 H new ATOM 0 HG2 ARG A 88 7.219 -1.670 -12.336 1.00 2.27 H new ATOM 0 HG3 ARG A 88 7.481 -0.110 -11.583 1.00 2.27 H new ATOM 0 HD2 ARG A 88 8.242 0.632 -14.018 1.00 2.65 H new ATOM 0 HD3 ARG A 88 7.355 -0.790 -14.532 1.00 2.65 H new ATOM 0 HE ARG A 88 6.261 1.704 -13.430 1.00 3.89 H new ATOM 0 HH11 ARG A 88 5.397 -1.661 -14.295 1.00 6.34 H new ATOM 0 HH12 ARG A 88 3.669 -1.296 -14.277 1.00 6.34 H new ATOM 0 HH21 ARG A 88 4.046 2.068 -13.385 1.00 6.64 H new ATOM 0 HH22 ARG A 88 2.924 0.760 -13.774 1.00 6.64 H new ATOM 1434 N LYS A 89 9.531 -4.363 -10.736 1.00 0.94 N ATOM 1435 CA LYS A 89 9.693 -5.802 -10.900 1.00 1.04 C ATOM 1436 C LYS A 89 9.602 -6.232 -12.365 1.00 1.40 C ATOM 1437 O LYS A 89 8.648 -5.882 -13.056 1.00 2.06 O ATOM 1438 CB LYS A 89 8.579 -6.493 -10.102 1.00 1.54 C ATOM 1439 CG LYS A 89 8.526 -6.025 -8.638 1.00 1.01 C ATOM 1440 CD LYS A 89 7.295 -5.141 -8.365 1.00 1.55 C ATOM 1441 CE LYS A 89 7.252 -4.640 -6.910 1.00 1.67 C ATOM 1442 NZ LYS A 89 8.033 -3.392 -6.741 1.00 2.80 N ATOM 0 H LYS A 89 8.978 -4.143 -9.907 1.00 0.94 H new ATOM 0 HA LYS A 89 10.683 -6.085 -10.541 1.00 1.04 H new ATOM 0 HB2 LYS A 89 7.619 -6.295 -10.578 1.00 1.54 H new ATOM 0 HB3 LYS A 89 8.732 -7.572 -10.130 1.00 1.54 H new ATOM 0 HG2 LYS A 89 8.503 -6.893 -7.979 1.00 1.01 H new ATOM 0 HG3 LYS A 89 9.433 -5.469 -8.401 1.00 1.01 H new ATOM 0 HD2 LYS A 89 7.306 -4.287 -9.042 1.00 1.55 H new ATOM 0 HD3 LYS A 89 6.388 -5.707 -8.580 1.00 1.55 H new ATOM 0 HE2 LYS A 89 6.217 -4.466 -6.615 1.00 1.67 H new ATOM 0 HE3 LYS A 89 7.647 -5.410 -6.247 1.00 1.67 H new ATOM 0 HZ1 LYS A 89 8.227 -3.238 -5.731 1.00 2.80 H new ATOM 0 HZ2 LYS A 89 8.932 -3.472 -7.258 1.00 2.80 H new ATOM 0 HZ3 LYS A 89 7.489 -2.589 -7.116 1.00 2.80 H new ATOM 1456 N LYS A 90 10.580 -7.022 -12.824 1.00 1.62 N ATOM 1457 CA LYS A 90 10.571 -7.556 -14.177 1.00 2.16 C ATOM 1458 C LYS A 90 9.412 -8.544 -14.339 1.00 1.96 C ATOM 1459 O LYS A 90 8.644 -8.427 -15.289 1.00 2.80 O ATOM 1460 CB LYS A 90 11.931 -8.190 -14.510 1.00 2.85 C ATOM 1461 CG LYS A 90 12.053 -8.458 -16.018 1.00 3.62 C ATOM 1462 CD LYS A 90 13.422 -9.077 -16.344 1.00 4.65 C ATOM 1463 CE LYS A 90 13.699 -9.137 -17.856 1.00 5.69 C ATOM 1464 NZ LYS A 90 12.721 -9.971 -18.587 1.00 6.39 N ATOM 0 H LYS A 90 11.389 -7.303 -12.269 1.00 1.62 H new ATOM 0 HA LYS A 90 10.414 -6.746 -14.890 1.00 2.16 H new ATOM 0 HB2 LYS A 90 12.735 -7.528 -14.187 1.00 2.85 H new ATOM 0 HB3 LYS A 90 12.047 -9.124 -13.960 1.00 2.85 H new ATOM 0 HG2 LYS A 90 11.257 -9.130 -16.340 1.00 3.62 H new ATOM 0 HG3 LYS A 90 11.927 -7.527 -16.571 1.00 3.62 H new ATOM 0 HD2 LYS A 90 14.205 -8.495 -15.858 1.00 4.65 H new ATOM 0 HD3 LYS A 90 13.469 -10.084 -15.929 1.00 4.65 H new ATOM 0 HE2 LYS A 90 13.684 -8.126 -18.264 1.00 5.69 H new ATOM 0 HE3 LYS A 90 14.701 -9.532 -18.021 1.00 5.69 H new ATOM 0 HZ1 LYS A 90 12.957 -9.975 -19.600 1.00 6.39 H new ATOM 0 HZ2 LYS A 90 12.752 -10.944 -18.221 1.00 6.39 H new ATOM 0 HZ3 LYS A 90 11.766 -9.582 -18.455 1.00 6.39 H new ATOM 1478 N LYS A 91 9.304 -9.519 -13.423 1.00 1.57 N ATOM 1479 CA LYS A 91 8.183 -10.453 -13.379 1.00 1.97 C ATOM 1480 C LYS A 91 8.185 -11.253 -12.068 1.00 2.03 C ATOM 1481 O LYS A 91 7.249 -11.152 -11.280 1.00 2.49 O ATOM 1482 CB LYS A 91 8.244 -11.404 -14.592 1.00 2.55 C ATOM 1483 CG LYS A 91 7.048 -12.363 -14.662 1.00 3.30 C ATOM 1484 CD LYS A 91 7.212 -13.288 -15.879 1.00 3.86 C ATOM 1485 CE LYS A 91 6.278 -14.507 -15.844 1.00 4.74 C ATOM 1486 NZ LYS A 91 6.682 -15.481 -14.807 1.00 5.41 N ATOM 0 H LYS A 91 9.998 -9.677 -12.692 1.00 1.57 H new ATOM 0 HA LYS A 91 7.255 -9.882 -13.422 1.00 1.97 H new ATOM 0 HB2 LYS A 91 8.284 -10.814 -15.508 1.00 2.55 H new ATOM 0 HB3 LYS A 91 9.166 -11.984 -14.546 1.00 2.55 H new ATOM 0 HG2 LYS A 91 6.986 -12.953 -13.748 1.00 3.30 H new ATOM 0 HG3 LYS A 91 6.119 -11.799 -14.741 1.00 3.30 H new ATOM 0 HD2 LYS A 91 7.021 -12.718 -16.788 1.00 3.86 H new ATOM 0 HD3 LYS A 91 8.245 -13.632 -15.929 1.00 3.86 H new ATOM 0 HE2 LYS A 91 5.257 -14.177 -15.654 1.00 4.74 H new ATOM 0 HE3 LYS A 91 6.279 -14.994 -16.819 1.00 4.74 H new ATOM 0 HZ1 LYS A 91 6.227 -16.397 -14.995 1.00 5.41 H new ATOM 0 HZ2 LYS A 91 7.715 -15.598 -14.824 1.00 5.41 H new ATOM 0 HZ3 LYS A 91 6.388 -15.134 -13.872 1.00 5.41 H new ATOM 1500 N ASP A 92 9.234 -12.049 -11.835 1.00 1.94 N ATOM 1501 CA ASP A 92 9.173 -13.189 -10.913 1.00 2.31 C ATOM 1502 C ASP A 92 10.027 -12.911 -9.680 1.00 1.89 C ATOM 1503 O ASP A 92 10.947 -13.656 -9.360 1.00 2.35 O ATOM 1504 CB ASP A 92 9.622 -14.473 -11.635 1.00 3.01 C ATOM 1505 CG ASP A 92 8.639 -14.916 -12.703 1.00 4.14 C ATOM 1506 OD1 ASP A 92 7.424 -14.982 -12.413 1.00 4.70 O ATOM 1507 OD2 ASP A 92 9.059 -15.167 -13.855 1.00 5.08 O ATOM 0 H ASP A 92 10.144 -11.923 -12.277 1.00 1.94 H new ATOM 0 HA ASP A 92 8.145 -13.333 -10.581 1.00 2.31 H new ATOM 0 HB2 ASP A 92 10.598 -14.307 -12.091 1.00 3.01 H new ATOM 0 HB3 ASP A 92 9.744 -15.273 -10.904 1.00 3.01 H new ATOM 1512 N LEU A 93 9.692 -11.824 -8.989 1.00 1.46 N ATOM 1513 CA LEU A 93 10.511 -11.188 -7.962 1.00 1.15 C ATOM 1514 C LEU A 93 11.221 -12.183 -7.040 1.00 1.14 C ATOM 1515 O LEU A 93 12.447 -12.239 -7.054 1.00 1.41 O ATOM 1516 CB LEU A 93 9.610 -10.181 -7.219 1.00 1.49 C ATOM 1517 CG LEU A 93 10.309 -8.916 -6.708 1.00 2.09 C ATOM 1518 CD1 LEU A 93 10.988 -8.107 -7.820 1.00 3.77 C ATOM 1519 CD2 LEU A 93 9.300 -8.098 -5.892 1.00 2.59 C ATOM 0 H LEU A 93 8.805 -11.343 -9.136 1.00 1.46 H new ATOM 0 HA LEU A 93 11.344 -10.660 -8.426 1.00 1.15 H new ATOM 0 HB2 LEU A 93 8.802 -9.883 -7.887 1.00 1.49 H new ATOM 0 HB3 LEU A 93 9.152 -10.689 -6.370 1.00 1.49 H new ATOM 0 HG LEU A 93 11.136 -9.206 -6.059 1.00 2.09 H new ATOM 0 HD11 LEU A 93 11.463 -7.225 -7.390 1.00 3.77 H new ATOM 0 HD12 LEU A 93 11.742 -8.723 -8.310 1.00 3.77 H new ATOM 0 HD13 LEU A 93 10.242 -7.797 -8.552 1.00 3.77 H new ATOM 0 HD21 LEU A 93 9.781 -7.193 -5.520 1.00 2.59 H new ATOM 0 HD22 LEU A 93 8.455 -7.826 -6.525 1.00 2.59 H new ATOM 0 HD23 LEU A 93 8.946 -8.693 -5.050 1.00 2.59 H new ATOM 1531 N LYS A 94 10.480 -13.023 -6.314 1.00 1.11 N ATOM 1532 CA LYS A 94 11.040 -13.923 -5.305 1.00 1.14 C ATOM 1533 C LYS A 94 12.083 -14.907 -5.835 1.00 1.22 C ATOM 1534 O LYS A 94 12.838 -15.467 -5.044 1.00 1.33 O ATOM 1535 CB LYS A 94 9.943 -14.621 -4.486 1.00 1.34 C ATOM 1536 CG LYS A 94 9.289 -13.559 -3.606 1.00 1.53 C ATOM 1537 CD LYS A 94 8.047 -14.019 -2.824 1.00 1.67 C ATOM 1538 CE LYS A 94 7.218 -12.736 -2.742 1.00 2.40 C ATOM 1539 NZ LYS A 94 6.094 -12.700 -1.795 1.00 2.75 N ATOM 0 H LYS A 94 9.467 -13.098 -6.411 1.00 1.11 H new ATOM 0 HA LYS A 94 11.597 -13.274 -4.629 1.00 1.14 H new ATOM 0 HB2 LYS A 94 9.206 -15.082 -5.144 1.00 1.34 H new ATOM 0 HB3 LYS A 94 10.367 -15.418 -3.875 1.00 1.34 H new ATOM 0 HG2 LYS A 94 10.030 -13.195 -2.895 1.00 1.53 H new ATOM 0 HG3 LYS A 94 9.008 -12.714 -4.235 1.00 1.53 H new ATOM 0 HD2 LYS A 94 7.513 -14.816 -3.342 1.00 1.67 H new ATOM 0 HD3 LYS A 94 8.307 -14.399 -1.836 1.00 1.67 H new ATOM 0 HE2 LYS A 94 7.893 -11.918 -2.490 1.00 2.40 H new ATOM 0 HE3 LYS A 94 6.823 -12.529 -3.737 1.00 2.40 H new ATOM 0 HZ1 LYS A 94 5.615 -11.779 -1.860 1.00 2.75 H new ATOM 0 HZ2 LYS A 94 5.420 -13.458 -2.027 1.00 2.75 H new ATOM 0 HZ3 LYS A 94 6.450 -12.837 -0.828 1.00 2.75 H new ATOM 1553 N ILE A 95 12.150 -15.139 -7.151 1.00 1.28 N ATOM 1554 CA ILE A 95 13.288 -15.828 -7.745 1.00 1.41 C ATOM 1555 C ILE A 95 14.634 -15.198 -7.330 1.00 1.41 C ATOM 1556 O ILE A 95 15.684 -15.812 -7.518 1.00 1.60 O ATOM 1557 CB ILE A 95 13.089 -15.926 -9.267 1.00 1.48 C ATOM 1558 CG1 ILE A 95 13.654 -17.247 -9.808 1.00 2.10 C ATOM 1559 CG2 ILE A 95 13.675 -14.713 -10.004 1.00 1.76 C ATOM 1560 CD1 ILE A 95 13.249 -17.448 -11.269 1.00 2.30 C ATOM 0 H ILE A 95 11.430 -14.859 -7.817 1.00 1.28 H new ATOM 0 HA ILE A 95 13.335 -16.845 -7.356 1.00 1.41 H new ATOM 0 HB ILE A 95 12.016 -15.918 -9.459 1.00 1.48 H new ATOM 0 HG12 ILE A 95 14.741 -17.246 -9.723 1.00 2.10 H new ATOM 0 HG13 ILE A 95 13.288 -18.079 -9.206 1.00 2.10 H new ATOM 0 HG21 ILE A 95 13.512 -14.825 -11.076 1.00 1.76 H new ATOM 0 HG22 ILE A 95 13.185 -13.804 -9.655 1.00 1.76 H new ATOM 0 HG23 ILE A 95 14.745 -14.648 -9.805 1.00 1.76 H new ATOM 0 HD11 ILE A 95 13.659 -18.390 -11.634 1.00 2.30 H new ATOM 0 HD12 ILE A 95 12.162 -17.472 -11.345 1.00 2.30 H new ATOM 0 HD13 ILE A 95 13.637 -16.626 -11.871 1.00 2.30 H new ATOM 1572 N ARG A 96 14.624 -13.951 -6.835 1.00 1.29 N ATOM 1573 CA ARG A 96 15.745 -13.222 -6.255 1.00 1.38 C ATOM 1574 C ARG A 96 16.513 -12.585 -7.417 1.00 1.68 C ATOM 1575 O ARG A 96 16.665 -11.367 -7.489 1.00 2.38 O ATOM 1576 CB ARG A 96 16.608 -14.133 -5.372 1.00 1.80 C ATOM 1577 CG ARG A 96 17.358 -13.418 -4.233 1.00 1.86 C ATOM 1578 CD ARG A 96 18.120 -12.165 -4.678 1.00 2.83 C ATOM 1579 NE ARG A 96 18.671 -11.395 -3.549 1.00 3.35 N ATOM 1580 CZ ARG A 96 18.227 -10.169 -3.214 1.00 4.52 C ATOM 1581 NH1 ARG A 96 16.961 -9.809 -3.427 1.00 5.31 N ATOM 1582 NH2 ARG A 96 19.066 -9.269 -2.695 1.00 5.62 N ATOM 0 H ARG A 96 13.770 -13.393 -6.833 1.00 1.29 H new ATOM 0 HA ARG A 96 15.403 -12.436 -5.581 1.00 1.38 H new ATOM 0 HB2 ARG A 96 15.970 -14.903 -4.939 1.00 1.80 H new ATOM 0 HB3 ARG A 96 17.337 -14.641 -6.004 1.00 1.80 H new ATOM 0 HG2 ARG A 96 16.642 -13.140 -3.459 1.00 1.86 H new ATOM 0 HG3 ARG A 96 18.061 -14.117 -3.780 1.00 1.86 H new ATOM 0 HD2 ARG A 96 18.933 -12.458 -5.342 1.00 2.83 H new ATOM 0 HD3 ARG A 96 17.452 -11.526 -5.255 1.00 2.83 H new ATOM 0 HE ARG A 96 19.422 -11.809 -2.997 1.00 3.35 H new ATOM 0 HH11 ARG A 96 16.308 -10.468 -3.851 1.00 5.31 H new ATOM 0 HH12 ARG A 96 16.646 -8.875 -3.165 1.00 5.31 H new ATOM 0 HH21 ARG A 96 20.047 -9.509 -2.551 1.00 5.62 H new ATOM 0 HH22 ARG A 96 18.726 -8.341 -2.442 1.00 5.62 H new ATOM 1681 N GLU B 4 12.914 -15.521 -0.157 1.00 1.97 N ATOM 1682 CA GLU B 4 14.107 -14.761 -0.517 1.00 1.61 C ATOM 1683 C GLU B 4 14.322 -13.816 0.681 1.00 1.52 C ATOM 1684 O GLU B 4 13.449 -13.782 1.549 1.00 2.09 O ATOM 1685 CB GLU B 4 13.940 -14.105 -1.899 1.00 1.57 C ATOM 1686 CG GLU B 4 13.255 -12.734 -1.917 1.00 1.79 C ATOM 1687 CD GLU B 4 14.264 -11.595 -1.915 1.00 2.58 C ATOM 1688 OE1 GLU B 4 15.020 -11.480 -2.903 1.00 3.09 O ATOM 1689 OE2 GLU B 4 14.347 -10.905 -0.883 1.00 3.68 O ATOM 0 HA GLU B 4 15.009 -15.356 -0.662 1.00 1.61 H new ATOM 0 HB2 GLU B 4 14.926 -14.001 -2.351 1.00 1.57 H new ATOM 0 HB3 GLU B 4 13.368 -14.782 -2.533 1.00 1.57 H new ATOM 0 HG2 GLU B 4 12.622 -12.656 -2.801 1.00 1.79 H new ATOM 0 HG3 GLU B 4 12.603 -12.643 -1.048 1.00 1.79 H new ATOM 1696 N PRO B 5 15.421 -13.065 0.835 1.00 1.47 N ATOM 1697 CA PRO B 5 15.635 -12.338 2.088 1.00 1.74 C ATOM 1698 C PRO B 5 14.748 -11.077 2.280 1.00 1.60 C ATOM 1699 O PRO B 5 15.202 -10.097 2.868 1.00 1.83 O ATOM 1700 CB PRO B 5 17.146 -12.075 2.126 1.00 2.38 C ATOM 1701 CG PRO B 5 17.570 -12.060 0.655 1.00 2.31 C ATOM 1702 CD PRO B 5 16.574 -12.983 -0.053 1.00 1.73 C ATOM 0 HA PRO B 5 15.310 -12.928 2.945 1.00 1.74 H new ATOM 0 HB2 PRO B 5 17.372 -11.127 2.614 1.00 2.38 H new ATOM 0 HB3 PRO B 5 17.670 -12.852 2.682 1.00 2.38 H new ATOM 0 HG2 PRO B 5 17.534 -11.051 0.244 1.00 2.31 H new ATOM 0 HG3 PRO B 5 18.593 -12.417 0.535 1.00 2.31 H new ATOM 0 HD2 PRO B 5 16.292 -12.583 -1.027 1.00 1.73 H new ATOM 0 HD3 PRO B 5 17.007 -13.968 -0.226 1.00 1.73 H new ATOM 1710 N LEU B 6 13.476 -11.109 1.861 1.00 1.44 N ATOM 1711 CA LEU B 6 12.552 -9.976 1.864 1.00 1.47 C ATOM 1712 C LEU B 6 11.843 -9.778 3.205 1.00 1.38 C ATOM 1713 O LEU B 6 11.852 -10.670 4.056 1.00 1.61 O ATOM 1714 CB LEU B 6 11.537 -10.117 0.714 1.00 1.48 C ATOM 1715 CG LEU B 6 10.609 -11.351 0.728 1.00 1.52 C ATOM 1716 CD1 LEU B 6 9.468 -11.279 1.751 1.00 2.35 C ATOM 1717 CD2 LEU B 6 9.927 -11.463 -0.638 1.00 2.11 C ATOM 0 H LEU B 6 13.049 -11.961 1.497 1.00 1.44 H new ATOM 0 HA LEU B 6 13.150 -9.078 1.708 1.00 1.47 H new ATOM 0 HB2 LEU B 6 10.910 -9.225 0.708 1.00 1.48 H new ATOM 0 HB3 LEU B 6 12.091 -10.124 -0.225 1.00 1.48 H new ATOM 0 HG LEU B 6 11.251 -12.194 0.984 1.00 1.52 H new ATOM 0 HD11 LEU B 6 8.868 -12.187 1.691 1.00 2.35 H new ATOM 0 HD12 LEU B 6 9.884 -11.185 2.754 1.00 2.35 H new ATOM 0 HD13 LEU B 6 8.841 -10.414 1.536 1.00 2.35 H new ATOM 0 HD21 LEU B 6 9.267 -12.331 -0.645 1.00 2.11 H new ATOM 0 HD22 LEU B 6 9.344 -10.562 -0.829 1.00 2.11 H new ATOM 0 HD23 LEU B 6 10.684 -11.576 -1.414 1.00 2.11 H new ATOM 1729 N THR B 7 11.198 -8.610 3.354 1.00 1.29 N ATOM 1730 CA THR B 7 10.338 -8.157 4.453 1.00 1.40 C ATOM 1731 C THR B 7 8.839 -8.438 4.225 1.00 0.99 C ATOM 1732 O THR B 7 8.360 -8.372 3.095 1.00 1.15 O ATOM 1733 CB THR B 7 10.875 -8.528 5.852 1.00 1.00 C ATOM 1734 OG1 THR B 7 10.512 -9.847 6.192 1.00 2.39 O ATOM 1735 CG2 THR B 7 10.354 -7.592 6.955 1.00 1.09 C ATOM 0 H THR B 7 11.275 -7.890 2.635 1.00 1.29 H new ATOM 0 HA THR B 7 10.395 -7.069 4.439 1.00 1.40 H new ATOM 0 HB THR B 7 11.959 -8.429 5.792 1.00 1.00 H new ATOM 0 HG1 THR B 7 10.885 -10.469 5.533 1.00 2.39 H new ATOM 0 HG21 THR B 7 10.764 -7.900 7.917 1.00 1.09 H new ATOM 0 HG22 THR B 7 10.663 -6.569 6.740 1.00 1.09 H new ATOM 0 HG23 THR B 7 9.266 -7.643 6.991 1.00 1.09 H new ATOM 1743 N GLU B 8 8.067 -8.610 5.304 1.00 0.94 N ATOM 1744 CA GLU B 8 6.614 -8.441 5.332 1.00 0.96 C ATOM 1745 C GLU B 8 6.203 -7.199 4.528 1.00 0.97 C ATOM 1746 O GLU B 8 5.251 -7.229 3.748 1.00 1.09 O ATOM 1747 CB GLU B 8 6.146 -8.308 6.792 1.00 1.07 C ATOM 1748 CG GLU B 8 6.432 -9.569 7.623 1.00 1.54 C ATOM 1749 CD GLU B 8 6.025 -9.405 9.085 1.00 2.21 C ATOM 1750 OE1 GLU B 8 4.914 -8.882 9.320 1.00 3.35 O ATOM 1751 OE2 GLU B 8 6.834 -9.818 9.943 1.00 2.87 O ATOM 0 H GLU B 8 8.451 -8.879 6.210 1.00 0.94 H new ATOM 0 HA GLU B 8 6.143 -9.313 4.878 1.00 0.96 H new ATOM 0 HB2 GLU B 8 6.643 -7.454 7.252 1.00 1.07 H new ATOM 0 HB3 GLU B 8 5.076 -8.101 6.809 1.00 1.07 H new ATOM 0 HG2 GLU B 8 5.896 -10.415 7.192 1.00 1.54 H new ATOM 0 HG3 GLU B 8 7.495 -9.804 7.568 1.00 1.54 H new ATOM 1758 N LEU B 9 6.965 -6.113 4.696 1.00 0.93 N ATOM 1759 CA LEU B 9 6.795 -4.882 3.941 1.00 1.01 C ATOM 1760 C LEU B 9 6.783 -5.185 2.438 1.00 1.09 C ATOM 1761 O LEU B 9 5.863 -4.760 1.738 1.00 1.25 O ATOM 1762 CB LEU B 9 7.910 -3.884 4.298 1.00 1.08 C ATOM 1763 CG LEU B 9 7.706 -3.144 5.632 1.00 1.06 C ATOM 1764 CD1 LEU B 9 7.849 -4.014 6.892 1.00 2.10 C ATOM 1765 CD2 LEU B 9 8.621 -1.911 5.706 1.00 2.66 C ATOM 0 H LEU B 9 7.727 -6.071 5.373 1.00 0.93 H new ATOM 0 HA LEU B 9 5.839 -4.429 4.203 1.00 1.01 H new ATOM 0 HB2 LEU B 9 8.859 -4.418 4.336 1.00 1.08 H new ATOM 0 HB3 LEU B 9 7.990 -3.148 3.498 1.00 1.08 H new ATOM 0 HG LEU B 9 6.661 -2.833 5.631 1.00 1.06 H new ATOM 0 HD11 LEU B 9 7.687 -3.400 7.778 1.00 2.10 H new ATOM 0 HD12 LEU B 9 7.111 -4.816 6.866 1.00 2.10 H new ATOM 0 HD13 LEU B 9 8.850 -4.444 6.926 1.00 2.10 H new ATOM 0 HD21 LEU B 9 8.465 -1.398 6.655 1.00 2.66 H new ATOM 0 HD22 LEU B 9 9.662 -2.225 5.630 1.00 2.66 H new ATOM 0 HD23 LEU B 9 8.386 -1.234 4.885 1.00 2.66 H new ATOM 1777 N GLU B 10 7.775 -5.944 1.948 1.00 1.06 N ATOM 1778 CA GLU B 10 7.779 -6.393 0.562 1.00 1.13 C ATOM 1779 C GLU B 10 6.507 -7.155 0.266 1.00 1.09 C ATOM 1780 O GLU B 10 5.805 -6.799 -0.670 1.00 1.18 O ATOM 1781 CB GLU B 10 8.980 -7.278 0.189 1.00 1.31 C ATOM 1782 CG GLU B 10 9.953 -6.500 -0.694 1.00 1.16 C ATOM 1783 CD GLU B 10 10.838 -7.334 -1.609 1.00 2.22 C ATOM 1784 OE1 GLU B 10 10.545 -8.527 -1.812 1.00 3.18 O ATOM 1785 OE2 GLU B 10 11.795 -6.745 -2.158 1.00 3.39 O ATOM 0 H GLU B 10 8.578 -6.255 2.495 1.00 1.06 H new ATOM 0 HA GLU B 10 7.853 -5.488 -0.040 1.00 1.13 H new ATOM 0 HB2 GLU B 10 9.487 -7.615 1.093 1.00 1.31 H new ATOM 0 HB3 GLU B 10 8.635 -8.170 -0.335 1.00 1.31 H new ATOM 0 HG2 GLU B 10 9.379 -5.807 -1.309 1.00 1.16 H new ATOM 0 HG3 GLU B 10 10.595 -5.898 -0.050 1.00 1.16 H new ATOM 1792 N GLU B 11 6.200 -8.187 1.050 1.00 1.07 N ATOM 1793 CA GLU B 11 5.059 -9.040 0.729 1.00 1.15 C ATOM 1794 C GLU B 11 3.752 -8.225 0.627 1.00 1.04 C ATOM 1795 O GLU B 11 2.882 -8.525 -0.194 1.00 1.21 O ATOM 1796 CB GLU B 11 5.018 -10.229 1.696 1.00 1.18 C ATOM 1797 CG GLU B 11 4.232 -11.426 1.130 1.00 1.94 C ATOM 1798 CD GLU B 11 4.919 -12.752 1.438 1.00 2.11 C ATOM 1799 OE1 GLU B 11 5.934 -13.028 0.757 1.00 2.70 O ATOM 1800 OE2 GLU B 11 4.428 -13.469 2.332 1.00 2.85 O ATOM 0 H GLU B 11 6.712 -8.448 1.893 1.00 1.07 H new ATOM 0 HA GLU B 11 5.176 -9.467 -0.267 1.00 1.15 H new ATOM 0 HB2 GLU B 11 6.037 -10.543 1.923 1.00 1.18 H new ATOM 0 HB3 GLU B 11 4.565 -9.913 2.636 1.00 1.18 H new ATOM 0 HG2 GLU B 11 3.226 -11.432 1.550 1.00 1.94 H new ATOM 0 HG3 GLU B 11 4.126 -11.314 0.051 1.00 1.94 H new ATOM 1807 N SER B 12 3.652 -7.122 1.380 1.00 0.89 N ATOM 1808 CA SER B 12 2.744 -6.026 1.075 1.00 1.01 C ATOM 1809 C SER B 12 2.627 -5.662 -0.376 1.00 0.88 C ATOM 1810 O SER B 12 1.600 -5.795 -1.043 1.00 0.93 O ATOM 1811 CB SER B 12 1.378 -6.014 1.697 1.00 1.62 C ATOM 1812 OG SER B 12 0.610 -7.144 1.323 1.00 3.18 O ATOM 0 H SER B 12 4.206 -6.971 2.223 1.00 0.89 H new ATOM 0 HA SER B 12 3.304 -5.254 1.602 1.00 1.01 H new ATOM 0 HB2 SER B 12 1.475 -5.986 2.782 1.00 1.62 H new ATOM 0 HB3 SER B 12 0.853 -5.106 1.400 1.00 1.62 H new ATOM 0 HG SER B 12 -0.058 -6.879 0.657 1.00 3.18 H new ATOM 1818 N ILE B 13 3.735 -5.164 -0.845 1.00 0.80 N ATOM 1819 CA ILE B 13 3.767 -4.506 -2.099 1.00 0.82 C ATOM 1820 C ILE B 13 3.514 -5.560 -3.173 1.00 0.78 C ATOM 1821 O ILE B 13 2.752 -5.379 -4.125 1.00 0.75 O ATOM 1822 CB ILE B 13 5.139 -3.855 -2.125 1.00 0.79 C ATOM 1823 CG1 ILE B 13 5.203 -2.713 -1.102 1.00 1.00 C ATOM 1824 CG2 ILE B 13 5.348 -3.315 -3.505 1.00 0.75 C ATOM 1825 CD1 ILE B 13 6.633 -2.552 -0.628 1.00 0.77 C ATOM 0 H ILE B 13 4.633 -5.207 -0.363 1.00 0.80 H new ATOM 0 HA ILE B 13 3.012 -3.739 -2.272 1.00 0.82 H new ATOM 0 HB ILE B 13 5.912 -4.580 -1.870 1.00 0.79 H new ATOM 0 HG12 ILE B 13 4.849 -1.785 -1.551 1.00 1.00 H new ATOM 0 HG13 ILE B 13 4.549 -2.928 -0.257 1.00 1.00 H new ATOM 0 HG21 ILE B 13 6.326 -2.838 -3.565 1.00 0.75 H new ATOM 0 HG22 ILE B 13 5.298 -4.131 -4.226 1.00 0.75 H new ATOM 0 HG23 ILE B 13 4.573 -2.583 -3.730 1.00 0.75 H new ATOM 0 HD11 ILE B 13 6.686 -1.742 0.099 1.00 0.77 H new ATOM 0 HD12 ILE B 13 6.969 -3.479 -0.164 1.00 0.77 H new ATOM 0 HD13 ILE B 13 7.274 -2.319 -1.478 1.00 0.77 H new ATOM 1837 N GLU B 14 4.169 -6.686 -2.935 1.00 0.83 N ATOM 1838 CA GLU B 14 4.088 -7.932 -3.628 1.00 0.88 C ATOM 1839 C GLU B 14 2.666 -8.306 -4.028 1.00 0.81 C ATOM 1840 O GLU B 14 2.352 -8.574 -5.189 1.00 0.81 O ATOM 1841 CB GLU B 14 5.226 -8.001 -4.636 1.00 1.78 C ATOM 1842 CG GLU B 14 6.486 -8.220 -3.792 1.00 2.32 C ATOM 1843 CD GLU B 14 6.690 -9.706 -3.566 1.00 2.39 C ATOM 1844 OE1 GLU B 14 6.077 -10.236 -2.608 1.00 2.82 O ATOM 1845 OE2 GLU B 14 7.389 -10.316 -4.402 1.00 3.09 O ATOM 0 H GLU B 14 4.838 -6.738 -2.167 1.00 0.83 H new ATOM 0 HA GLU B 14 4.277 -8.788 -2.981 1.00 0.88 H new ATOM 0 HB2 GLU B 14 5.078 -8.816 -5.344 1.00 1.78 H new ATOM 0 HB3 GLU B 14 5.295 -7.082 -5.218 1.00 1.78 H new ATOM 0 HG2 GLU B 14 7.354 -7.795 -4.297 1.00 2.32 H new ATOM 0 HG3 GLU B 14 6.390 -7.705 -2.836 1.00 2.32 H new ATOM 1852 N THR B 15 1.812 -8.344 -3.004 1.00 0.87 N ATOM 1853 CA THR B 15 0.422 -8.753 -3.118 1.00 0.88 C ATOM 1854 C THR B 15 -0.327 -7.812 -4.060 1.00 0.82 C ATOM 1855 O THR B 15 -1.064 -8.280 -4.928 1.00 0.84 O ATOM 1856 CB THR B 15 -0.222 -8.843 -1.727 1.00 1.02 C ATOM 1857 OG1 THR B 15 0.525 -9.738 -0.929 1.00 1.13 O ATOM 1858 CG2 THR B 15 -1.653 -9.387 -1.801 1.00 1.09 C ATOM 0 H THR B 15 2.079 -8.085 -2.054 1.00 0.87 H new ATOM 0 HA THR B 15 0.367 -9.750 -3.555 1.00 0.88 H new ATOM 0 HB THR B 15 -0.238 -7.838 -1.306 1.00 1.02 H new ATOM 0 HG1 THR B 15 1.296 -9.270 -0.546 1.00 1.13 H new ATOM 0 HG21 THR B 15 -2.076 -9.436 -0.798 1.00 1.09 H new ATOM 0 HG22 THR B 15 -2.262 -8.727 -2.419 1.00 1.09 H new ATOM 0 HG23 THR B 15 -1.641 -10.385 -2.239 1.00 1.09 H new ATOM 1866 N VAL B 16 -0.131 -6.495 -3.942 1.00 0.81 N ATOM 1867 CA VAL B 16 -0.769 -5.553 -4.842 1.00 0.82 C ATOM 1868 C VAL B 16 -0.374 -5.871 -6.285 1.00 0.77 C ATOM 1869 O VAL B 16 -1.235 -6.158 -7.117 1.00 0.82 O ATOM 1870 CB VAL B 16 -0.381 -4.117 -4.466 1.00 0.88 C ATOM 1871 CG1 VAL B 16 -0.968 -3.148 -5.487 1.00 0.92 C ATOM 1872 CG2 VAL B 16 -0.866 -3.743 -3.061 1.00 0.99 C ATOM 0 H VAL B 16 0.463 -6.067 -3.232 1.00 0.81 H new ATOM 0 HA VAL B 16 -1.852 -5.643 -4.753 1.00 0.82 H new ATOM 0 HB VAL B 16 0.707 -4.052 -4.468 1.00 0.88 H new ATOM 0 HG11 VAL B 16 -0.693 -2.128 -5.220 1.00 0.92 H new ATOM 0 HG12 VAL B 16 -0.577 -3.382 -6.477 1.00 0.92 H new ATOM 0 HG13 VAL B 16 -2.054 -3.241 -5.494 1.00 0.92 H new ATOM 0 HG21 VAL B 16 -0.570 -2.719 -2.835 1.00 0.99 H new ATOM 0 HG22 VAL B 16 -1.952 -3.825 -3.017 1.00 0.99 H new ATOM 0 HG23 VAL B 16 -0.421 -4.419 -2.331 1.00 0.99 H new ATOM 1882 N VAL B 17 0.928 -5.813 -6.584 1.00 0.76 N ATOM 1883 CA VAL B 17 1.412 -5.987 -7.952 1.00 0.83 C ATOM 1884 C VAL B 17 0.967 -7.346 -8.512 1.00 0.78 C ATOM 1885 O VAL B 17 0.495 -7.437 -9.647 1.00 0.86 O ATOM 1886 CB VAL B 17 2.931 -5.732 -8.051 1.00 0.74 C ATOM 1887 CG1 VAL B 17 3.250 -4.288 -7.639 1.00 0.98 C ATOM 1888 CG2 VAL B 17 3.774 -6.713 -7.225 1.00 0.72 C ATOM 0 H VAL B 17 1.663 -5.647 -5.896 1.00 0.76 H new ATOM 0 HA VAL B 17 0.955 -5.231 -8.590 1.00 0.83 H new ATOM 0 HB VAL B 17 3.203 -5.895 -9.094 1.00 0.74 H new ATOM 0 HG11 VAL B 17 4.324 -4.118 -7.712 1.00 0.98 H new ATOM 0 HG12 VAL B 17 2.727 -3.597 -8.300 1.00 0.98 H new ATOM 0 HG13 VAL B 17 2.926 -4.123 -6.612 1.00 0.98 H new ATOM 0 HG21 VAL B 17 4.831 -6.473 -7.343 1.00 0.72 H new ATOM 0 HG22 VAL B 17 3.499 -6.633 -6.173 1.00 0.72 H new ATOM 0 HG23 VAL B 17 3.592 -7.730 -7.571 1.00 0.72 H new ATOM 1898 N THR B 18 1.048 -8.390 -7.683 1.00 0.76 N ATOM 1899 CA THR B 18 0.516 -9.706 -7.990 1.00 0.85 C ATOM 1900 C THR B 18 -0.941 -9.602 -8.411 1.00 0.88 C ATOM 1901 O THR B 18 -1.335 -10.139 -9.445 1.00 1.04 O ATOM 1902 CB THR B 18 0.630 -10.603 -6.751 1.00 1.03 C ATOM 1903 OG1 THR B 18 1.981 -10.938 -6.540 1.00 2.01 O ATOM 1904 CG2 THR B 18 -0.249 -11.850 -6.874 1.00 1.26 C ATOM 0 H THR B 18 1.493 -8.336 -6.767 1.00 0.76 H new ATOM 0 HA THR B 18 1.089 -10.137 -8.811 1.00 0.85 H new ATOM 0 HB THR B 18 0.265 -10.053 -5.884 1.00 1.03 H new ATOM 0 HG1 THR B 18 2.417 -10.228 -6.024 1.00 2.01 H new ATOM 0 HG21 THR B 18 -0.142 -12.461 -5.978 1.00 1.26 H new ATOM 0 HG22 THR B 18 -1.291 -11.551 -6.987 1.00 1.26 H new ATOM 0 HG23 THR B 18 0.059 -12.428 -7.746 1.00 1.26 H new ATOM 1912 N THR B 19 -1.761 -8.979 -7.569 1.00 0.86 N ATOM 1913 CA THR B 19 -3.200 -9.050 -7.711 1.00 1.02 C ATOM 1914 C THR B 19 -3.649 -8.196 -8.902 1.00 0.93 C ATOM 1915 O THR B 19 -4.575 -8.567 -9.614 1.00 1.07 O ATOM 1916 CB THR B 19 -3.843 -8.698 -6.371 1.00 1.19 C ATOM 1917 OG1 THR B 19 -3.393 -9.616 -5.398 1.00 1.34 O ATOM 1918 CG2 THR B 19 -5.368 -8.786 -6.420 1.00 1.58 C ATOM 0 H THR B 19 -1.444 -8.418 -6.779 1.00 0.86 H new ATOM 0 HA THR B 19 -3.538 -10.058 -7.950 1.00 1.02 H new ATOM 0 HB THR B 19 -3.561 -7.673 -6.131 1.00 1.19 H new ATOM 0 HG1 THR B 19 -2.525 -9.323 -5.049 1.00 1.34 H new ATOM 0 HG21 THR B 19 -5.779 -8.527 -5.444 1.00 1.58 H new ATOM 0 HG22 THR B 19 -5.749 -8.092 -7.170 1.00 1.58 H new ATOM 0 HG23 THR B 19 -5.666 -9.802 -6.681 1.00 1.58 H new ATOM 1926 N PHE B 20 -2.947 -7.092 -9.183 1.00 0.79 N ATOM 1927 CA PHE B 20 -3.160 -6.319 -10.404 1.00 0.80 C ATOM 1928 C PHE B 20 -3.005 -7.211 -11.643 1.00 1.03 C ATOM 1929 O PHE B 20 -3.803 -7.137 -12.574 1.00 1.17 O ATOM 1930 CB PHE B 20 -2.175 -5.143 -10.474 1.00 0.75 C ATOM 1931 CG PHE B 20 -2.551 -3.891 -9.700 1.00 0.65 C ATOM 1932 CD1 PHE B 20 -3.241 -3.946 -8.472 1.00 1.73 C ATOM 1933 CD2 PHE B 20 -2.213 -2.639 -10.240 1.00 1.82 C ATOM 1934 CE1 PHE B 20 -3.552 -2.760 -7.784 1.00 1.87 C ATOM 1935 CE2 PHE B 20 -2.591 -1.460 -9.587 1.00 1.93 C ATOM 1936 CZ PHE B 20 -3.175 -1.515 -8.316 1.00 1.10 C ATOM 0 H PHE B 20 -2.222 -6.715 -8.573 1.00 0.79 H new ATOM 0 HA PHE B 20 -4.176 -5.925 -10.384 1.00 0.80 H new ATOM 0 HB2 PHE B 20 -1.206 -5.488 -10.113 1.00 0.75 H new ATOM 0 HB3 PHE B 20 -2.045 -4.870 -11.521 1.00 0.75 H new ATOM 0 HD1 PHE B 20 -3.531 -4.901 -8.059 1.00 1.73 H new ATOM 0 HD2 PHE B 20 -1.658 -2.586 -11.165 1.00 1.82 H new ATOM 0 HE1 PHE B 20 -4.082 -2.806 -6.844 1.00 1.87 H new ATOM 0 HE2 PHE B 20 -2.432 -0.505 -10.065 1.00 1.93 H new ATOM 0 HZ PHE B 20 -3.334 -0.609 -7.750 1.00 1.10 H new ATOM 1946 N PHE B 21 -1.965 -8.048 -11.668 1.00 1.18 N ATOM 1947 CA PHE B 21 -1.748 -9.002 -12.748 1.00 1.52 C ATOM 1948 C PHE B 21 -2.855 -10.064 -12.718 1.00 1.67 C ATOM 1949 O PHE B 21 -3.504 -10.354 -13.724 1.00 1.86 O ATOM 1950 CB PHE B 21 -0.346 -9.607 -12.586 1.00 1.80 C ATOM 1951 CG PHE B 21 0.202 -10.361 -13.783 1.00 2.17 C ATOM 1952 CD1 PHE B 21 0.825 -9.644 -14.822 1.00 3.26 C ATOM 1953 CD2 PHE B 21 0.356 -11.759 -13.715 1.00 2.65 C ATOM 1954 CE1 PHE B 21 1.626 -10.314 -15.764 1.00 3.87 C ATOM 1955 CE2 PHE B 21 1.207 -12.421 -14.619 1.00 3.48 C ATOM 1956 CZ PHE B 21 1.848 -11.696 -15.640 1.00 3.76 C ATOM 0 H PHE B 21 -1.253 -8.080 -10.939 1.00 1.18 H new ATOM 0 HA PHE B 21 -1.796 -8.516 -13.723 1.00 1.52 H new ATOM 0 HB2 PHE B 21 0.348 -8.803 -12.341 1.00 1.80 H new ATOM 0 HB3 PHE B 21 -0.362 -10.285 -11.733 1.00 1.80 H new ATOM 0 HD1 PHE B 21 0.687 -8.575 -14.896 1.00 3.26 H new ATOM 0 HD2 PHE B 21 -0.180 -12.324 -12.967 1.00 2.65 H new ATOM 0 HE1 PHE B 21 2.070 -9.767 -16.582 1.00 3.87 H new ATOM 0 HE2 PHE B 21 1.368 -13.485 -14.529 1.00 3.48 H new ATOM 0 HZ PHE B 21 2.510 -12.201 -16.328 1.00 3.76 H new ATOM 1966 N THR B 22 -3.080 -10.633 -11.538 1.00 1.77 N ATOM 1967 CA THR B 22 -4.022 -11.711 -11.286 1.00 2.11 C ATOM 1968 C THR B 22 -5.398 -11.109 -10.988 1.00 1.99 C ATOM 1969 O THR B 22 -5.949 -11.310 -9.910 1.00 2.20 O ATOM 1970 CB THR B 22 -3.481 -12.568 -10.125 1.00 2.54 C ATOM 1971 OG1 THR B 22 -2.078 -12.718 -10.249 1.00 3.65 O ATOM 1972 CG2 THR B 22 -4.117 -13.961 -10.107 1.00 3.01 C ATOM 0 H THR B 22 -2.587 -10.340 -10.695 1.00 1.77 H new ATOM 0 HA THR B 22 -4.135 -12.360 -12.155 1.00 2.11 H new ATOM 0 HB THR B 22 -3.732 -12.054 -9.197 1.00 2.54 H new ATOM 0 HG1 THR B 22 -1.632 -11.908 -9.925 1.00 3.65 H new ATOM 0 HG21 THR B 22 -3.711 -14.536 -9.275 1.00 3.01 H new ATOM 0 HG22 THR B 22 -5.197 -13.867 -9.990 1.00 3.01 H new ATOM 0 HG23 THR B 22 -3.897 -14.474 -11.043 1.00 3.01 H new ATOM 2097 N LYS B 30 -2.851 -3.461 -18.550 1.00 1.86 N ATOM 2098 CA LYS B 30 -1.876 -2.428 -18.890 1.00 1.83 C ATOM 2099 C LYS B 30 -0.976 -2.180 -17.677 1.00 1.70 C ATOM 2100 O LYS B 30 0.246 -2.265 -17.762 1.00 2.46 O ATOM 2101 CB LYS B 30 -2.565 -1.114 -19.311 1.00 2.30 C ATOM 2102 CG LYS B 30 -3.240 -1.150 -20.692 1.00 2.65 C ATOM 2103 CD LYS B 30 -4.723 -1.576 -20.699 1.00 3.00 C ATOM 2104 CE LYS B 30 -5.684 -0.630 -19.957 1.00 3.31 C ATOM 2105 NZ LYS B 30 -5.626 0.732 -20.501 1.00 3.88 N ATOM 0 HA LYS B 30 -1.283 -2.773 -19.737 1.00 1.83 H new ATOM 0 HB2 LYS B 30 -3.315 -0.858 -18.563 1.00 2.30 H new ATOM 0 HB3 LYS B 30 -1.824 -0.315 -19.306 1.00 2.30 H new ATOM 0 HG2 LYS B 30 -3.163 -0.159 -21.140 1.00 2.65 H new ATOM 0 HG3 LYS B 30 -2.681 -1.833 -21.332 1.00 2.65 H new ATOM 0 HD2 LYS B 30 -5.054 -1.664 -21.734 1.00 3.00 H new ATOM 0 HD3 LYS B 30 -4.801 -2.568 -20.254 1.00 3.00 H new ATOM 0 HE2 LYS B 30 -6.702 -1.011 -20.034 1.00 3.31 H new ATOM 0 HE3 LYS B 30 -5.431 -0.611 -18.897 1.00 3.31 H new ATOM 0 HZ1 LYS B 30 -6.310 1.335 -20.001 1.00 3.88 H new ATOM 0 HZ2 LYS B 30 -4.668 1.116 -20.374 1.00 3.88 H new ATOM 0 HZ3 LYS B 30 -5.859 0.711 -21.514 1.00 3.88 H new ATOM 2119 N ASP B 31 -1.622 -1.868 -16.553 1.00 1.24 N ATOM 2120 CA ASP B 31 -1.027 -1.673 -15.239 1.00 1.17 C ATOM 2121 C ASP B 31 -2.176 -1.759 -14.240 1.00 1.14 C ATOM 2122 O ASP B 31 -2.216 -2.676 -13.427 1.00 1.39 O ATOM 2123 CB ASP B 31 -0.274 -0.335 -15.136 1.00 1.31 C ATOM 2124 CG ASP B 31 0.513 -0.226 -13.831 1.00 2.35 C ATOM 2125 OD1 ASP B 31 -0.112 0.111 -12.799 1.00 3.55 O ATOM 2126 OD2 ASP B 31 1.752 -0.438 -13.886 1.00 3.29 O ATOM 0 H ASP B 31 -2.634 -1.738 -16.539 1.00 1.24 H new ATOM 0 HA ASP B 31 -0.273 -2.434 -15.037 1.00 1.17 H new ATOM 0 HB2 ASP B 31 0.407 -0.235 -15.981 1.00 1.31 H new ATOM 0 HB3 ASP B 31 -0.985 0.488 -15.201 1.00 1.31 H new ATOM 2131 N SER B 32 -3.153 -0.850 -14.368 1.00 1.11 N ATOM 2132 CA SER B 32 -4.305 -0.778 -13.482 1.00 1.07 C ATOM 2133 C SER B 32 -5.596 -0.389 -14.222 1.00 1.02 C ATOM 2134 O SER B 32 -5.700 -0.570 -15.436 1.00 1.18 O ATOM 2135 CB SER B 32 -3.985 0.200 -12.349 1.00 1.06 C ATOM 2136 OG SER B 32 -4.818 -0.079 -11.242 1.00 1.60 O ATOM 0 H SER B 32 -3.158 -0.140 -15.100 1.00 1.11 H new ATOM 0 HA SER B 32 -4.495 -1.769 -13.070 1.00 1.07 H new ATOM 0 HB2 SER B 32 -2.937 0.111 -12.062 1.00 1.06 H new ATOM 0 HB3 SER B 32 -4.138 1.226 -12.684 1.00 1.06 H new ATOM 0 HG SER B 32 -4.300 -0.543 -10.552 1.00 1.60 H new ATOM 2142 N LEU B 33 -6.582 0.104 -13.459 1.00 0.89 N ATOM 2143 CA LEU B 33 -7.969 0.322 -13.863 1.00 0.84 C ATOM 2144 C LEU B 33 -8.201 1.799 -14.228 1.00 0.79 C ATOM 2145 O LEU B 33 -7.250 2.546 -14.453 1.00 0.90 O ATOM 2146 CB LEU B 33 -8.906 -0.110 -12.711 1.00 0.86 C ATOM 2147 CG LEU B 33 -8.768 -1.548 -12.176 1.00 0.98 C ATOM 2148 CD1 LEU B 33 -8.757 -2.595 -13.295 1.00 1.70 C ATOM 2149 CD2 LEU B 33 -7.572 -1.736 -11.243 1.00 1.16 C ATOM 0 H LEU B 33 -6.419 0.375 -12.489 1.00 0.89 H new ATOM 0 HA LEU B 33 -8.186 -0.277 -14.747 1.00 0.84 H new ATOM 0 HB2 LEU B 33 -8.750 0.574 -11.877 1.00 0.86 H new ATOM 0 HB3 LEU B 33 -9.934 0.026 -13.046 1.00 0.86 H new ATOM 0 HG LEU B 33 -9.665 -1.711 -11.578 1.00 0.98 H new ATOM 0 HD11 LEU B 33 -8.658 -3.590 -12.861 1.00 1.70 H new ATOM 0 HD12 LEU B 33 -9.689 -2.536 -13.858 1.00 1.70 H new ATOM 0 HD13 LEU B 33 -7.917 -2.405 -13.963 1.00 1.70 H new ATOM 0 HD21 LEU B 33 -7.535 -2.771 -10.903 1.00 1.16 H new ATOM 0 HD22 LEU B 33 -6.653 -1.496 -11.777 1.00 1.16 H new ATOM 0 HD23 LEU B 33 -7.675 -1.075 -10.382 1.00 1.16 H new ATOM 2161 N SER B 34 -9.470 2.226 -14.257 1.00 0.78 N ATOM 2162 CA SER B 34 -9.895 3.620 -14.322 1.00 0.74 C ATOM 2163 C SER B 34 -10.362 4.065 -12.930 1.00 0.71 C ATOM 2164 O SER B 34 -10.609 3.229 -12.058 1.00 0.74 O ATOM 2165 CB SER B 34 -10.975 3.773 -15.395 1.00 0.84 C ATOM 2166 OG SER B 34 -10.439 3.379 -16.644 1.00 1.66 O ATOM 0 H SER B 34 -10.257 1.578 -14.235 1.00 0.78 H new ATOM 0 HA SER B 34 -9.069 4.270 -14.610 1.00 0.74 H new ATOM 0 HB2 SER B 34 -11.842 3.161 -15.147 1.00 0.84 H new ATOM 0 HB3 SER B 34 -11.317 4.807 -15.441 1.00 0.84 H new ATOM 0 HG SER B 34 -11.125 3.472 -17.338 1.00 1.66 H new ATOM 2172 N VAL B 35 -10.341 5.373 -12.675 1.00 0.74 N ATOM 2173 CA VAL B 35 -10.205 5.906 -11.325 1.00 0.72 C ATOM 2174 C VAL B 35 -11.501 5.785 -10.519 1.00 0.75 C ATOM 2175 O VAL B 35 -11.507 5.239 -9.415 1.00 0.74 O ATOM 2176 CB VAL B 35 -9.756 7.360 -11.449 1.00 0.79 C ATOM 2177 CG1 VAL B 35 -9.709 8.089 -10.114 1.00 0.91 C ATOM 2178 CG2 VAL B 35 -8.371 7.478 -12.094 1.00 0.89 C ATOM 0 H VAL B 35 -10.418 6.089 -13.398 1.00 0.74 H new ATOM 0 HA VAL B 35 -9.465 5.325 -10.774 1.00 0.72 H new ATOM 0 HB VAL B 35 -10.511 7.827 -12.082 1.00 0.79 H new ATOM 0 HG11 VAL B 35 -9.383 9.117 -10.272 1.00 0.91 H new ATOM 0 HG12 VAL B 35 -10.702 8.089 -9.664 1.00 0.91 H new ATOM 0 HG13 VAL B 35 -9.009 7.584 -9.448 1.00 0.91 H new ATOM 0 HG21 VAL B 35 -8.090 8.529 -12.163 1.00 0.89 H new ATOM 0 HG22 VAL B 35 -7.640 6.946 -11.485 1.00 0.89 H new ATOM 0 HG23 VAL B 35 -8.397 7.043 -13.093 1.00 0.89 H new ATOM 2188 N ASN B 36 -12.600 6.338 -11.034 1.00 0.88 N ATOM 2189 CA ASN B 36 -13.878 6.282 -10.336 1.00 1.04 C ATOM 2190 C ASN B 36 -14.253 4.822 -10.078 1.00 1.04 C ATOM 2191 O ASN B 36 -14.643 4.459 -8.972 1.00 1.07 O ATOM 2192 CB ASN B 36 -14.980 7.014 -11.114 1.00 1.29 C ATOM 2193 CG ASN B 36 -15.936 7.707 -10.145 1.00 2.58 C ATOM 2194 OD1 ASN B 36 -16.635 7.060 -9.367 1.00 3.44 O ATOM 2195 ND2 ASN B 36 -15.944 9.036 -10.131 1.00 3.10 N ATOM 0 H ASN B 36 -12.628 6.827 -11.929 1.00 0.88 H new ATOM 0 HA ASN B 36 -13.777 6.796 -9.380 1.00 1.04 H new ATOM 0 HB2 ASN B 36 -14.535 7.748 -11.786 1.00 1.29 H new ATOM 0 HB3 ASN B 36 -15.529 6.306 -11.735 1.00 1.29 H new ATOM 0 HD21 ASN B 36 -16.536 9.535 -9.468 1.00 3.10 H new ATOM 0 HD22 ASN B 36 -15.358 9.556 -10.784 1.00 3.10 H new ATOM 2202 N GLU B 37 -14.059 3.981 -11.092 1.00 1.05 N ATOM 2203 CA GLU B 37 -14.282 2.550 -11.048 1.00 1.08 C ATOM 2204 C GLU B 37 -13.454 1.966 -9.906 1.00 0.93 C ATOM 2205 O GLU B 37 -13.996 1.315 -9.015 1.00 0.97 O ATOM 2206 CB GLU B 37 -13.907 1.922 -12.402 1.00 1.19 C ATOM 2207 CG GLU B 37 -14.724 2.471 -13.587 1.00 2.65 C ATOM 2208 CD GLU B 37 -14.354 3.884 -14.041 1.00 4.29 C ATOM 2209 OE1 GLU B 37 -13.285 4.373 -13.604 1.00 4.64 O ATOM 2210 OE2 GLU B 37 -15.157 4.458 -14.800 1.00 5.80 O ATOM 0 H GLU B 37 -13.728 4.299 -12.003 1.00 1.05 H new ATOM 0 HA GLU B 37 -15.334 2.330 -10.867 1.00 1.08 H new ATOM 0 HB2 GLU B 37 -12.848 2.095 -12.592 1.00 1.19 H new ATOM 0 HB3 GLU B 37 -14.049 0.843 -12.344 1.00 1.19 H new ATOM 0 HG2 GLU B 37 -14.606 1.793 -14.433 1.00 2.65 H new ATOM 0 HG3 GLU B 37 -15.779 2.460 -13.315 1.00 2.65 H new ATOM 2217 N PHE B 38 -12.146 2.244 -9.906 1.00 0.80 N ATOM 2218 CA PHE B 38 -11.261 1.909 -8.800 1.00 0.70 C ATOM 2219 C PHE B 38 -11.875 2.295 -7.455 1.00 0.69 C ATOM 2220 O PHE B 38 -11.868 1.468 -6.550 1.00 0.72 O ATOM 2221 CB PHE B 38 -9.859 2.507 -8.991 1.00 0.62 C ATOM 2222 CG PHE B 38 -9.140 2.867 -7.703 1.00 0.84 C ATOM 2223 CD1 PHE B 38 -8.648 1.845 -6.872 1.00 1.50 C ATOM 2224 CD2 PHE B 38 -9.192 4.190 -7.220 1.00 2.09 C ATOM 2225 CE1 PHE B 38 -8.186 2.149 -5.581 1.00 1.66 C ATOM 2226 CE2 PHE B 38 -8.788 4.480 -5.907 1.00 2.42 C ATOM 2227 CZ PHE B 38 -8.255 3.466 -5.096 1.00 1.65 C ATOM 0 H PHE B 38 -11.675 2.711 -10.681 1.00 0.80 H new ATOM 0 HA PHE B 38 -11.140 0.826 -8.795 1.00 0.70 H new ATOM 0 HB2 PHE B 38 -9.248 1.795 -9.545 1.00 0.62 H new ATOM 0 HB3 PHE B 38 -9.942 3.402 -9.607 1.00 0.62 H new ATOM 0 HD1 PHE B 38 -8.625 0.825 -7.227 1.00 1.50 H new ATOM 0 HD2 PHE B 38 -9.544 4.984 -7.862 1.00 2.09 H new ATOM 0 HE1 PHE B 38 -7.776 1.367 -4.959 1.00 1.66 H new ATOM 0 HE2 PHE B 38 -8.887 5.484 -5.521 1.00 2.42 H new ATOM 0 HZ PHE B 38 -7.899 3.697 -4.103 1.00 1.65 H new ATOM 2237 N LYS B 39 -12.405 3.513 -7.295 1.00 0.72 N ATOM 2238 CA LYS B 39 -12.994 3.897 -6.014 1.00 0.75 C ATOM 2239 C LYS B 39 -14.127 2.946 -5.595 1.00 0.84 C ATOM 2240 O LYS B 39 -14.265 2.639 -4.409 1.00 0.92 O ATOM 2241 CB LYS B 39 -13.318 5.404 -5.939 1.00 0.98 C ATOM 2242 CG LYS B 39 -14.695 5.800 -5.371 1.00 0.90 C ATOM 2243 CD LYS B 39 -15.730 5.814 -6.501 1.00 1.55 C ATOM 2244 CE LYS B 39 -17.134 6.282 -6.096 1.00 2.43 C ATOM 2245 NZ LYS B 39 -18.070 6.225 -7.243 1.00 3.58 N ATOM 0 H LYS B 39 -12.437 4.231 -8.018 1.00 0.72 H new ATOM 0 HA LYS B 39 -12.237 3.765 -5.241 1.00 0.75 H new ATOM 0 HB2 LYS B 39 -12.551 5.885 -5.332 1.00 0.98 H new ATOM 0 HB3 LYS B 39 -13.235 5.818 -6.944 1.00 0.98 H new ATOM 0 HG2 LYS B 39 -14.997 5.095 -4.596 1.00 0.90 H new ATOM 0 HG3 LYS B 39 -14.638 6.783 -4.903 1.00 0.90 H new ATOM 0 HD2 LYS B 39 -15.365 6.461 -7.298 1.00 1.55 H new ATOM 0 HD3 LYS B 39 -15.805 4.809 -6.916 1.00 1.55 H new ATOM 0 HE2 LYS B 39 -17.509 5.656 -5.286 1.00 2.43 H new ATOM 0 HE3 LYS B 39 -17.084 7.302 -5.714 1.00 2.43 H new ATOM 0 HZ1 LYS B 39 -18.765 6.994 -7.162 1.00 3.58 H new ATOM 0 HZ2 LYS B 39 -17.538 6.330 -8.131 1.00 3.58 H new ATOM 0 HZ3 LYS B 39 -18.565 5.310 -7.242 1.00 3.58 H new ATOM 2259 N GLU B 40 -14.934 2.467 -6.544 1.00 0.89 N ATOM 2260 CA GLU B 40 -15.993 1.521 -6.226 1.00 1.00 C ATOM 2261 C GLU B 40 -15.375 0.165 -5.895 1.00 0.98 C ATOM 2262 O GLU B 40 -15.611 -0.374 -4.816 1.00 1.22 O ATOM 2263 CB GLU B 40 -17.050 1.475 -7.341 1.00 1.14 C ATOM 2264 CG GLU B 40 -17.525 2.909 -7.606 1.00 1.15 C ATOM 2265 CD GLU B 40 -18.896 3.035 -8.242 1.00 1.64 C ATOM 2266 OE1 GLU B 40 -19.399 2.039 -8.800 1.00 2.61 O ATOM 2267 OE2 GLU B 40 -19.396 4.179 -8.140 1.00 2.59 O ATOM 0 H GLU B 40 -14.872 2.719 -7.530 1.00 0.89 H new ATOM 0 HA GLU B 40 -16.536 1.848 -5.339 1.00 1.00 H new ATOM 0 HB2 GLU B 40 -16.629 1.040 -8.247 1.00 1.14 H new ATOM 0 HB3 GLU B 40 -17.889 0.845 -7.045 1.00 1.14 H new ATOM 0 HG2 GLU B 40 -17.531 3.452 -6.661 1.00 1.15 H new ATOM 0 HG3 GLU B 40 -16.797 3.401 -8.252 1.00 1.15 H new ATOM 2274 N LEU B 41 -14.527 -0.355 -6.785 1.00 0.82 N ATOM 2275 CA LEU B 41 -13.838 -1.623 -6.580 1.00 0.79 C ATOM 2276 C LEU B 41 -13.150 -1.667 -5.211 1.00 0.76 C ATOM 2277 O LEU B 41 -13.358 -2.609 -4.456 1.00 0.88 O ATOM 2278 CB LEU B 41 -12.841 -1.887 -7.719 1.00 0.80 C ATOM 2279 CG LEU B 41 -13.450 -2.690 -8.882 1.00 1.06 C ATOM 2280 CD1 LEU B 41 -14.603 -1.960 -9.579 1.00 2.54 C ATOM 2281 CD2 LEU B 41 -12.355 -2.997 -9.911 1.00 2.28 C ATOM 0 H LEU B 41 -14.301 0.097 -7.671 1.00 0.82 H new ATOM 0 HA LEU B 41 -14.582 -2.420 -6.593 1.00 0.79 H new ATOM 0 HB2 LEU B 41 -12.471 -0.934 -8.098 1.00 0.80 H new ATOM 0 HB3 LEU B 41 -11.981 -2.428 -7.323 1.00 0.80 H new ATOM 0 HG LEU B 41 -13.860 -3.606 -8.457 1.00 1.06 H new ATOM 0 HD11 LEU B 41 -14.989 -2.579 -10.389 1.00 2.54 H new ATOM 0 HD12 LEU B 41 -15.399 -1.767 -8.860 1.00 2.54 H new ATOM 0 HD13 LEU B 41 -14.243 -1.015 -9.984 1.00 2.54 H new ATOM 0 HD21 LEU B 41 -12.781 -3.566 -10.737 1.00 2.28 H new ATOM 0 HD22 LEU B 41 -11.939 -2.063 -10.290 1.00 2.28 H new ATOM 0 HD23 LEU B 41 -11.565 -3.580 -9.438 1.00 2.28 H new ATOM 2293 N VAL B 42 -12.334 -0.668 -4.866 1.00 0.70 N ATOM 2294 CA VAL B 42 -11.629 -0.662 -3.594 1.00 0.78 C ATOM 2295 C VAL B 42 -12.639 -0.701 -2.443 1.00 0.89 C ATOM 2296 O VAL B 42 -12.584 -1.614 -1.625 1.00 0.92 O ATOM 2297 CB VAL B 42 -10.589 0.478 -3.515 1.00 0.81 C ATOM 2298 CG1 VAL B 42 -11.206 1.867 -3.320 1.00 2.26 C ATOM 2299 CG2 VAL B 42 -9.552 0.241 -2.415 1.00 2.26 C ATOM 0 H VAL B 42 -12.149 0.145 -5.454 1.00 0.70 H new ATOM 0 HA VAL B 42 -11.028 -1.566 -3.502 1.00 0.78 H new ATOM 0 HB VAL B 42 -10.101 0.461 -4.490 1.00 0.81 H new ATOM 0 HG11 VAL B 42 -10.414 2.614 -3.274 1.00 2.26 H new ATOM 0 HG12 VAL B 42 -11.868 2.092 -4.156 1.00 2.26 H new ATOM 0 HG13 VAL B 42 -11.776 1.885 -2.391 1.00 2.26 H new ATOM 0 HG21 VAL B 42 -8.843 1.069 -2.399 1.00 2.26 H new ATOM 0 HG22 VAL B 42 -10.054 0.174 -1.450 1.00 2.26 H new ATOM 0 HG23 VAL B 42 -9.019 -0.689 -2.612 1.00 2.26 H new ATOM 2309 N THR B 43 -13.593 0.232 -2.373 1.00 1.05 N ATOM 2310 CA THR B 43 -14.492 0.248 -1.223 1.00 1.31 C ATOM 2311 C THR B 43 -15.274 -1.080 -1.145 1.00 1.31 C ATOM 2312 O THR B 43 -15.369 -1.677 -0.075 1.00 1.51 O ATOM 2313 CB THR B 43 -15.312 1.555 -1.169 1.00 1.65 C ATOM 2314 OG1 THR B 43 -15.674 1.858 0.164 1.00 2.05 O ATOM 2315 CG2 THR B 43 -16.580 1.519 -2.025 1.00 1.73 C ATOM 0 H THR B 43 -13.758 0.958 -3.070 1.00 1.05 H new ATOM 0 HA THR B 43 -13.931 0.281 -0.289 1.00 1.31 H new ATOM 0 HB THR B 43 -14.661 2.327 -1.579 1.00 1.65 H new ATOM 0 HG1 THR B 43 -15.424 2.783 0.369 1.00 2.05 H new ATOM 0 HG21 THR B 43 -17.105 2.470 -1.938 1.00 1.73 H new ATOM 0 HG22 THR B 43 -16.311 1.347 -3.067 1.00 1.73 H new ATOM 0 HG23 THR B 43 -17.229 0.714 -1.680 1.00 1.73 H new ATOM 2323 N GLN B 44 -15.727 -1.620 -2.286 1.00 1.21 N ATOM 2324 CA GLN B 44 -16.329 -2.952 -2.366 1.00 1.24 C ATOM 2325 C GLN B 44 -15.408 -4.040 -1.796 1.00 1.12 C ATOM 2326 O GLN B 44 -15.853 -4.853 -0.990 1.00 1.16 O ATOM 2327 CB GLN B 44 -16.693 -3.293 -3.816 1.00 1.29 C ATOM 2328 CG GLN B 44 -17.879 -2.478 -4.342 1.00 1.89 C ATOM 2329 CD GLN B 44 -18.014 -2.646 -5.852 1.00 2.50 C ATOM 2330 OE1 GLN B 44 -17.830 -1.704 -6.614 1.00 3.83 O ATOM 2331 NE2 GLN B 44 -18.327 -3.856 -6.306 1.00 2.62 N ATOM 0 H GLN B 44 -15.684 -1.138 -3.184 1.00 1.21 H new ATOM 0 HA GLN B 44 -17.234 -2.927 -1.758 1.00 1.24 H new ATOM 0 HB2 GLN B 44 -15.827 -3.117 -4.454 1.00 1.29 H new ATOM 0 HB3 GLN B 44 -16.929 -4.355 -3.886 1.00 1.29 H new ATOM 0 HG2 GLN B 44 -18.797 -2.801 -3.851 1.00 1.89 H new ATOM 0 HG3 GLN B 44 -17.741 -1.425 -4.098 1.00 1.89 H new ATOM 0 HE21 GLN B 44 -18.475 -4.624 -5.651 1.00 2.62 H new ATOM 0 HE22 GLN B 44 -18.419 -4.016 -7.309 1.00 2.62 H new ATOM 2340 N GLN B 45 -14.137 -4.068 -2.216 1.00 1.01 N ATOM 2341 CA GLN B 45 -13.149 -5.038 -1.742 1.00 0.95 C ATOM 2342 C GLN B 45 -12.989 -4.959 -0.227 1.00 0.86 C ATOM 2343 O GLN B 45 -12.588 -5.953 0.376 1.00 0.84 O ATOM 2344 CB GLN B 45 -11.774 -4.823 -2.404 1.00 1.02 C ATOM 2345 CG GLN B 45 -11.573 -5.563 -3.737 1.00 0.87 C ATOM 2346 CD GLN B 45 -12.682 -5.430 -4.784 1.00 0.97 C ATOM 2347 OE1 GLN B 45 -13.829 -5.805 -4.559 1.00 2.11 O ATOM 2348 NE2 GLN B 45 -12.337 -4.966 -5.983 1.00 2.21 N ATOM 0 H GLN B 45 -13.765 -3.410 -2.901 1.00 1.01 H new ATOM 0 HA GLN B 45 -13.521 -6.024 -2.019 1.00 0.95 H new ATOM 0 HB2 GLN B 45 -11.632 -3.756 -2.573 1.00 1.02 H new ATOM 0 HB3 GLN B 45 -10.998 -5.142 -1.708 1.00 1.02 H new ATOM 0 HG2 GLN B 45 -10.643 -5.210 -4.183 1.00 0.87 H new ATOM 0 HG3 GLN B 45 -11.440 -6.623 -3.519 1.00 0.87 H new ATOM 0 HE21 GLN B 45 -11.380 -4.658 -6.155 1.00 2.21 H new ATOM 0 HE22 GLN B 45 -13.030 -4.918 -6.730 1.00 2.21 H new ATOM 2357 N LEU B 46 -13.273 -3.791 0.362 1.00 0.85 N ATOM 2358 CA LEU B 46 -13.186 -3.537 1.789 1.00 0.82 C ATOM 2359 C LEU B 46 -14.577 -3.440 2.443 1.00 0.84 C ATOM 2360 O LEU B 46 -14.986 -2.356 2.854 1.00 0.88 O ATOM 2361 CB LEU B 46 -12.365 -2.253 2.000 1.00 0.87 C ATOM 2362 CG LEU B 46 -10.871 -2.433 1.675 1.00 0.97 C ATOM 2363 CD1 LEU B 46 -10.458 -2.033 0.260 1.00 1.04 C ATOM 2364 CD2 LEU B 46 -10.019 -1.616 2.646 1.00 1.60 C ATOM 0 H LEU B 46 -13.579 -2.975 -0.167 1.00 0.85 H new ATOM 0 HA LEU B 46 -12.688 -4.375 2.277 1.00 0.82 H new ATOM 0 HB2 LEU B 46 -12.774 -1.460 1.374 1.00 0.87 H new ATOM 0 HB3 LEU B 46 -12.469 -1.928 3.035 1.00 0.87 H new ATOM 0 HG LEU B 46 -10.703 -3.506 1.769 1.00 0.97 H new ATOM 0 HD11 LEU B 46 -9.388 -2.198 0.133 1.00 1.04 H new ATOM 0 HD12 LEU B 46 -11.006 -2.636 -0.463 1.00 1.04 H new ATOM 0 HD13 LEU B 46 -10.684 -0.979 0.099 1.00 1.04 H new ATOM 0 HD21 LEU B 46 -8.964 -1.751 2.407 1.00 1.60 H new ATOM 0 HD22 LEU B 46 -10.279 -0.561 2.559 1.00 1.60 H new ATOM 0 HD23 LEU B 46 -10.206 -1.953 3.666 1.00 1.60 H new ATOM 2376 N PRO B 47 -15.314 -4.548 2.635 1.00 0.86 N ATOM 2377 CA PRO B 47 -16.674 -4.514 3.165 1.00 0.88 C ATOM 2378 C PRO B 47 -16.760 -4.300 4.687 1.00 0.92 C ATOM 2379 O PRO B 47 -17.811 -4.558 5.275 1.00 1.11 O ATOM 2380 CB PRO B 47 -17.287 -5.854 2.746 1.00 0.92 C ATOM 2381 CG PRO B 47 -16.082 -6.791 2.768 1.00 0.90 C ATOM 2382 CD PRO B 47 -14.966 -5.900 2.236 1.00 0.85 C ATOM 0 HA PRO B 47 -17.213 -3.654 2.766 1.00 0.88 H new ATOM 0 HB2 PRO B 47 -18.065 -6.178 3.437 1.00 0.92 H new ATOM 0 HB3 PRO B 47 -17.741 -5.801 1.757 1.00 0.92 H new ATOM 0 HG2 PRO B 47 -15.868 -7.154 3.773 1.00 0.90 H new ATOM 0 HG3 PRO B 47 -16.237 -7.667 2.139 1.00 0.90 H new ATOM 0 HD2 PRO B 47 -14.001 -6.193 2.649 1.00 0.85 H new ATOM 0 HD3 PRO B 47 -14.886 -5.979 1.152 1.00 0.85 H new ATOM 2390 N HIS B 48 -15.712 -3.796 5.350 1.00 0.99 N ATOM 2391 CA HIS B 48 -15.734 -3.528 6.787 1.00 1.04 C ATOM 2392 C HIS B 48 -16.490 -2.218 7.062 1.00 1.21 C ATOM 2393 O HIS B 48 -15.924 -1.253 7.575 1.00 2.73 O ATOM 2394 CB HIS B 48 -14.299 -3.509 7.331 1.00 1.26 C ATOM 2395 CG HIS B 48 -14.219 -3.551 8.839 1.00 1.87 C ATOM 2396 ND1 HIS B 48 -14.610 -2.566 9.720 1.00 3.06 N ATOM 2397 CD2 HIS B 48 -13.730 -4.592 9.577 1.00 2.79 C ATOM 2398 CE1 HIS B 48 -14.338 -3.005 10.961 1.00 3.80 C ATOM 2399 NE2 HIS B 48 -13.814 -4.239 10.928 1.00 3.67 N ATOM 0 H HIS B 48 -14.826 -3.563 4.902 1.00 0.99 H new ATOM 0 HA HIS B 48 -16.268 -4.321 7.311 1.00 1.04 H new ATOM 0 HB2 HIS B 48 -13.754 -4.361 6.924 1.00 1.26 H new ATOM 0 HB3 HIS B 48 -13.797 -2.610 6.975 1.00 1.26 H new ATOM 0 HD1 HIS B 48 -15.029 -1.669 9.475 1.00 3.06 H new ATOM 0 HD2 HIS B 48 -13.346 -5.523 9.186 1.00 2.79 H new ATOM 0 HE1 HIS B 48 -14.517 -2.440 11.864 1.00 3.80 H new ATOM 2407 N LEU B 49 -17.773 -2.177 6.684 1.00 1.42 N ATOM 2408 CA LEU B 49 -18.684 -1.044 6.853 1.00 1.47 C ATOM 2409 C LEU B 49 -18.536 0.026 5.759 1.00 1.28 C ATOM 2410 O LEU B 49 -19.440 0.841 5.624 1.00 1.26 O ATOM 2411 CB LEU B 49 -18.619 -0.458 8.280 1.00 1.76 C ATOM 2412 CG LEU B 49 -19.967 -0.065 8.918 1.00 2.23 C ATOM 2413 CD1 LEU B 49 -20.732 1.062 8.220 1.00 2.98 C ATOM 2414 CD2 LEU B 49 -20.899 -1.269 9.095 1.00 3.97 C ATOM 0 H LEU B 49 -18.224 -2.972 6.231 1.00 1.42 H new ATOM 0 HA LEU B 49 -19.690 -1.443 6.724 1.00 1.47 H new ATOM 0 HB2 LEU B 49 -18.133 -1.188 8.928 1.00 1.76 H new ATOM 0 HB3 LEU B 49 -17.980 0.425 8.259 1.00 1.76 H new ATOM 0 HG LEU B 49 -19.666 0.327 9.890 1.00 2.23 H new ATOM 0 HD11 LEU B 49 -21.663 1.254 8.753 1.00 2.98 H new ATOM 0 HD12 LEU B 49 -20.123 1.966 8.215 1.00 2.98 H new ATOM 0 HD13 LEU B 49 -20.955 0.769 7.194 1.00 2.98 H new ATOM 0 HD21 LEU B 49 -21.835 -0.941 9.548 1.00 3.97 H new ATOM 0 HD22 LEU B 49 -21.104 -1.717 8.123 1.00 3.97 H new ATOM 0 HD23 LEU B 49 -20.422 -2.006 9.741 1.00 3.97 H new ATOM 2426 N LEU B 50 -17.424 0.043 5.006 1.00 1.47 N ATOM 2427 CA LEU B 50 -17.102 0.973 3.916 1.00 1.53 C ATOM 2428 C LEU B 50 -17.694 2.365 4.150 1.00 1.54 C ATOM 2429 O LEU B 50 -18.468 2.908 3.365 1.00 1.78 O ATOM 2430 CB LEU B 50 -17.365 0.347 2.538 1.00 1.89 C ATOM 2431 CG LEU B 50 -18.586 -0.581 2.425 1.00 2.34 C ATOM 2432 CD1 LEU B 50 -19.887 0.219 2.386 1.00 3.69 C ATOM 2433 CD2 LEU B 50 -18.454 -1.406 1.148 1.00 3.10 C ATOM 0 H LEU B 50 -16.679 -0.638 5.154 1.00 1.47 H new ATOM 0 HA LEU B 50 -16.027 1.155 3.919 1.00 1.53 H new ATOM 0 HB2 LEU B 50 -17.482 1.154 1.814 1.00 1.89 H new ATOM 0 HB3 LEU B 50 -16.480 -0.218 2.246 1.00 1.89 H new ATOM 0 HG LEU B 50 -18.618 -1.231 3.299 1.00 2.34 H new ATOM 0 HD11 LEU B 50 -20.732 -0.465 2.306 1.00 3.69 H new ATOM 0 HD12 LEU B 50 -19.981 0.806 3.300 1.00 3.69 H new ATOM 0 HD13 LEU B 50 -19.878 0.887 1.525 1.00 3.69 H new ATOM 0 HD21 LEU B 50 -19.313 -2.070 1.053 1.00 3.10 H new ATOM 0 HD22 LEU B 50 -18.414 -0.739 0.287 1.00 3.10 H new ATOM 0 HD23 LEU B 50 -17.540 -1.999 1.191 1.00 3.10 H new ATOM 2445 N LYS B 51 -17.323 2.898 5.313 1.00 1.41 N ATOM 2446 CA LYS B 51 -17.886 4.115 5.882 1.00 1.50 C ATOM 2447 C LYS B 51 -17.265 5.349 5.241 1.00 1.43 C ATOM 2448 O LYS B 51 -17.968 6.319 4.978 1.00 1.67 O ATOM 2449 CB LYS B 51 -17.763 4.131 7.415 1.00 1.59 C ATOM 2450 CG LYS B 51 -16.383 3.736 7.964 1.00 1.79 C ATOM 2451 CD LYS B 51 -15.567 4.901 8.519 1.00 1.91 C ATOM 2452 CE LYS B 51 -15.861 5.359 9.941 1.00 2.22 C ATOM 2453 NZ LYS B 51 -17.180 6.004 10.079 1.00 3.43 N ATOM 0 H LYS B 51 -16.601 2.480 5.900 1.00 1.41 H new ATOM 0 HA LYS B 51 -18.952 4.133 5.656 1.00 1.50 H new ATOM 0 HB2 LYS B 51 -18.006 5.132 7.773 1.00 1.59 H new ATOM 0 HB3 LYS B 51 -18.509 3.454 7.831 1.00 1.59 H new ATOM 0 HG2 LYS B 51 -16.518 2.995 8.752 1.00 1.79 H new ATOM 0 HG3 LYS B 51 -15.813 3.256 7.169 1.00 1.79 H new ATOM 0 HD2 LYS B 51 -14.513 4.627 8.466 1.00 1.91 H new ATOM 0 HD3 LYS B 51 -15.708 5.755 7.856 1.00 1.91 H new ATOM 0 HE2 LYS B 51 -15.811 4.500 10.611 1.00 2.22 H new ATOM 0 HE3 LYS B 51 -15.087 6.057 10.259 1.00 2.22 H new ATOM 0 HZ1 LYS B 51 -17.148 6.699 10.852 1.00 3.43 H new ATOM 0 HZ2 LYS B 51 -17.425 6.486 9.191 1.00 3.43 H new ATOM 0 HZ3 LYS B 51 -17.899 5.283 10.292 1.00 3.43 H new ATOM 2467 N ASP B 52 -15.948 5.298 5.033 1.00 1.27 N ATOM 2468 CA ASP B 52 -15.169 6.221 4.228 1.00 1.27 C ATOM 2469 C ASP B 52 -15.542 7.680 4.485 1.00 1.26 C ATOM 2470 O ASP B 52 -16.095 8.348 3.616 1.00 1.49 O ATOM 2471 CB ASP B 52 -15.187 5.828 2.738 1.00 1.52 C ATOM 2472 CG ASP B 52 -14.696 4.406 2.446 1.00 1.97 C ATOM 2473 OD1 ASP B 52 -14.420 3.671 3.422 1.00 2.53 O ATOM 2474 OD2 ASP B 52 -14.592 4.075 1.241 1.00 2.80 O ATOM 0 H ASP B 52 -15.370 4.567 5.449 1.00 1.27 H new ATOM 0 HA ASP B 52 -14.130 6.137 4.548 1.00 1.27 H new ATOM 0 HB2 ASP B 52 -16.205 5.931 2.361 1.00 1.52 H new ATOM 0 HB3 ASP B 52 -14.568 6.533 2.183 1.00 1.52 H new ATOM 2479 N VAL B 53 -15.185 8.179 5.674 1.00 1.38 N ATOM 2480 CA VAL B 53 -15.345 9.575 6.060 1.00 1.53 C ATOM 2481 C VAL B 53 -14.097 10.047 6.813 1.00 1.85 C ATOM 2482 O VAL B 53 -13.564 9.302 7.637 1.00 2.53 O ATOM 2483 CB VAL B 53 -16.620 9.784 6.905 1.00 2.23 C ATOM 2484 CG1 VAL B 53 -17.882 9.802 6.034 1.00 3.60 C ATOM 2485 CG2 VAL B 53 -16.790 8.726 8.003 1.00 3.72 C ATOM 0 H VAL B 53 -14.768 7.606 6.407 1.00 1.38 H new ATOM 0 HA VAL B 53 -15.460 10.175 5.157 1.00 1.53 H new ATOM 0 HB VAL B 53 -16.491 10.755 7.382 1.00 2.23 H new ATOM 0 HG11 VAL B 53 -18.758 9.951 6.665 1.00 3.60 H new ATOM 0 HG12 VAL B 53 -17.813 10.615 5.311 1.00 3.60 H new ATOM 0 HG13 VAL B 53 -17.973 8.853 5.506 1.00 3.60 H new ATOM 0 HG21 VAL B 53 -17.704 8.926 8.563 1.00 3.72 H new ATOM 0 HG22 VAL B 53 -16.852 7.737 7.549 1.00 3.72 H new ATOM 0 HG23 VAL B 53 -15.935 8.762 8.679 1.00 3.72 H new ATOM 2495 N GLY B 54 -13.671 11.290 6.557 1.00 1.81 N ATOM 2496 CA GLY B 54 -12.567 11.956 7.233 1.00 2.41 C ATOM 2497 C GLY B 54 -11.673 12.659 6.213 1.00 2.21 C ATOM 2498 O GLY B 54 -11.780 13.865 6.010 1.00 2.88 O ATOM 0 H GLY B 54 -14.107 11.876 5.845 1.00 1.81 H new ATOM 0 HA2 GLY B 54 -12.953 12.681 7.950 1.00 2.41 H new ATOM 0 HA3 GLY B 54 -11.984 11.228 7.798 1.00 2.41 H new ATOM 2502 N SER B 55 -10.812 11.884 5.559 1.00 1.65 N ATOM 2503 CA SER B 55 -9.996 12.279 4.418 1.00 1.75 C ATOM 2504 C SER B 55 -10.810 12.236 3.121 1.00 1.77 C ATOM 2505 O SER B 55 -10.373 12.830 2.135 1.00 2.19 O ATOM 2506 CB SER B 55 -8.797 11.328 4.289 1.00 1.55 C ATOM 2507 OG SER B 55 -7.602 11.887 4.817 1.00 1.78 O ATOM 0 H SER B 55 -10.658 10.912 5.826 1.00 1.65 H new ATOM 0 HA SER B 55 -9.651 13.300 4.582 1.00 1.75 H new ATOM 0 HB2 SER B 55 -9.019 10.396 4.808 1.00 1.55 H new ATOM 0 HB3 SER B 55 -8.645 11.080 3.239 1.00 1.55 H new ATOM 0 HG SER B 55 -6.955 12.019 4.093 1.00 1.78 H new ATOM 2513 N LEU B 56 -11.946 11.517 3.113 1.00 1.42 N ATOM 2514 CA LEU B 56 -12.670 11.056 1.924 1.00 1.20 C ATOM 2515 C LEU B 56 -12.647 12.069 0.783 1.00 1.03 C ATOM 2516 O LEU B 56 -12.373 11.716 -0.363 1.00 1.10 O ATOM 2517 CB LEU B 56 -14.120 10.659 2.287 1.00 1.07 C ATOM 2518 CG LEU B 56 -15.177 11.792 2.323 1.00 2.34 C ATOM 2519 CD1 LEU B 56 -16.598 11.230 2.305 1.00 2.59 C ATOM 2520 CD2 LEU B 56 -15.053 12.740 3.528 1.00 4.90 C ATOM 0 H LEU B 56 -12.403 11.230 3.979 1.00 1.42 H new ATOM 0 HA LEU B 56 -12.145 10.173 1.560 1.00 1.20 H new ATOM 0 HB2 LEU B 56 -14.454 9.908 1.571 1.00 1.07 H new ATOM 0 HB3 LEU B 56 -14.104 10.181 3.266 1.00 1.07 H new ATOM 0 HG LEU B 56 -14.976 12.372 1.423 1.00 2.34 H new ATOM 0 HD11 LEU B 56 -17.314 12.051 2.331 1.00 2.59 H new ATOM 0 HD12 LEU B 56 -16.747 10.647 1.396 1.00 2.59 H new ATOM 0 HD13 LEU B 56 -16.747 10.590 3.175 1.00 2.59 H new ATOM 0 HD21 LEU B 56 -15.831 13.501 3.473 1.00 4.90 H new ATOM 0 HD22 LEU B 56 -15.166 12.172 4.451 1.00 4.90 H new ATOM 0 HD23 LEU B 56 -14.074 13.220 3.514 1.00 4.90 H new ATOM 2532 N ASP B 57 -12.923 13.320 1.146 1.00 1.04 N ATOM 2533 CA ASP B 57 -12.926 14.505 0.298 1.00 1.13 C ATOM 2534 C ASP B 57 -11.770 14.473 -0.697 1.00 1.02 C ATOM 2535 O ASP B 57 -11.994 14.520 -1.906 1.00 1.08 O ATOM 2536 CB ASP B 57 -12.835 15.765 1.168 1.00 1.39 C ATOM 2537 CG ASP B 57 -12.593 16.996 0.302 1.00 2.51 C ATOM 2538 OD1 ASP B 57 -13.498 17.314 -0.497 1.00 3.24 O ATOM 2539 OD2 ASP B 57 -11.488 17.569 0.413 1.00 3.59 O ATOM 0 H ASP B 57 -13.168 13.546 2.110 1.00 1.04 H new ATOM 0 HA ASP B 57 -13.858 14.520 -0.267 1.00 1.13 H new ATOM 0 HB2 ASP B 57 -13.757 15.889 1.737 1.00 1.39 H new ATOM 0 HB3 ASP B 57 -12.026 15.657 1.891 1.00 1.39 H new ATOM 2544 N GLU B 58 -10.538 14.367 -0.190 1.00 0.99 N ATOM 2545 CA GLU B 58 -9.336 14.360 -1.009 1.00 1.01 C ATOM 2546 C GLU B 58 -9.436 13.294 -2.092 1.00 0.88 C ATOM 2547 O GLU B 58 -9.155 13.550 -3.261 1.00 0.97 O ATOM 2548 CB GLU B 58 -8.078 14.210 -0.137 1.00 1.14 C ATOM 2549 CG GLU B 58 -6.803 14.571 -0.920 1.00 2.28 C ATOM 2550 CD GLU B 58 -6.887 15.986 -1.473 1.00 3.54 C ATOM 2551 OE1 GLU B 58 -7.013 16.928 -0.659 1.00 4.12 O ATOM 2552 OE2 GLU B 58 -7.020 16.155 -2.706 1.00 4.77 O ATOM 0 H GLU B 58 -10.352 14.283 0.809 1.00 0.99 H new ATOM 0 HA GLU B 58 -9.246 15.320 -1.517 1.00 1.01 H new ATOM 0 HB2 GLU B 58 -8.163 14.853 0.739 1.00 1.14 H new ATOM 0 HB3 GLU B 58 -8.006 13.185 0.226 1.00 1.14 H new ATOM 0 HG2 GLU B 58 -5.934 14.482 -0.268 1.00 2.28 H new ATOM 0 HG3 GLU B 58 -6.662 13.865 -1.738 1.00 2.28 H new ATOM 2559 N LYS B 59 -9.898 12.104 -1.713 1.00 0.76 N ATOM 2560 CA LYS B 59 -10.096 11.041 -2.672 1.00 0.72 C ATOM 2561 C LYS B 59 -11.178 11.449 -3.665 1.00 0.74 C ATOM 2562 O LYS B 59 -10.921 11.462 -4.864 1.00 0.80 O ATOM 2563 CB LYS B 59 -10.389 9.708 -1.960 1.00 0.72 C ATOM 2564 CG LYS B 59 -9.297 8.716 -2.362 1.00 0.84 C ATOM 2565 CD LYS B 59 -9.357 7.366 -1.646 1.00 0.79 C ATOM 2566 CE LYS B 59 -10.624 6.560 -1.946 1.00 1.21 C ATOM 2567 NZ LYS B 59 -11.691 6.793 -0.943 1.00 1.72 N ATOM 0 H LYS B 59 -10.139 11.861 -0.752 1.00 0.76 H new ATOM 0 HA LYS B 59 -9.181 10.876 -3.241 1.00 0.72 H new ATOM 0 HB2 LYS B 59 -10.401 9.846 -0.879 1.00 0.72 H new ATOM 0 HB3 LYS B 59 -11.372 9.331 -2.244 1.00 0.72 H new ATOM 0 HG2 LYS B 59 -9.361 8.544 -3.436 1.00 0.84 H new ATOM 0 HG3 LYS B 59 -8.325 9.170 -2.169 1.00 0.84 H new ATOM 0 HD2 LYS B 59 -8.486 6.775 -1.932 1.00 0.79 H new ATOM 0 HD3 LYS B 59 -9.290 7.533 -0.571 1.00 0.79 H new ATOM 0 HE2 LYS B 59 -10.995 6.826 -2.936 1.00 1.21 H new ATOM 0 HE3 LYS B 59 -10.379 5.498 -1.972 1.00 1.21 H new ATOM 0 HZ1 LYS B 59 -12.307 5.957 -0.891 1.00 1.72 H new ATOM 0 HZ2 LYS B 59 -11.261 6.964 -0.012 1.00 1.72 H new ATOM 0 HZ3 LYS B 59 -12.254 7.622 -1.222 1.00 1.72 H new ATOM 2581 N MET B 60 -12.373 11.788 -3.177 1.00 0.77 N ATOM 2582 CA MET B 60 -13.508 12.157 -4.009 1.00 0.83 C ATOM 2583 C MET B 60 -13.088 13.166 -5.083 1.00 0.82 C ATOM 2584 O MET B 60 -13.218 12.882 -6.271 1.00 0.84 O ATOM 2585 CB MET B 60 -14.662 12.653 -3.122 1.00 0.95 C ATOM 2586 CG MET B 60 -15.929 12.970 -3.930 1.00 1.09 C ATOM 2587 SD MET B 60 -15.947 14.579 -4.769 1.00 2.32 S ATOM 2588 CE MET B 60 -17.445 14.409 -5.761 1.00 2.39 C ATOM 0 H MET B 60 -12.577 11.813 -2.178 1.00 0.77 H new ATOM 0 HA MET B 60 -13.873 11.282 -4.547 1.00 0.83 H new ATOM 0 HB2 MET B 60 -14.892 11.895 -2.373 1.00 0.95 H new ATOM 0 HB3 MET B 60 -14.345 13.546 -2.584 1.00 0.95 H new ATOM 0 HG2 MET B 60 -16.065 12.189 -4.678 1.00 1.09 H new ATOM 0 HG3 MET B 60 -16.787 12.921 -3.259 1.00 1.09 H new ATOM 0 HE1 MET B 60 -17.602 15.318 -6.341 1.00 2.39 H new ATOM 0 HE2 MET B 60 -17.339 13.561 -6.437 1.00 2.39 H new ATOM 0 HE3 MET B 60 -18.300 14.245 -5.104 1.00 2.39 H new ATOM 2598 N LYS B 61 -12.553 14.317 -4.673 1.00 0.86 N ATOM 2599 CA LYS B 61 -12.160 15.356 -5.619 1.00 0.94 C ATOM 2600 C LYS B 61 -11.046 14.854 -6.537 1.00 0.95 C ATOM 2601 O LYS B 61 -11.147 14.967 -7.757 1.00 1.01 O ATOM 2602 CB LYS B 61 -11.818 16.663 -4.893 1.00 1.11 C ATOM 2603 CG LYS B 61 -10.614 16.560 -3.938 1.00 1.53 C ATOM 2604 CD LYS B 61 -10.806 17.423 -2.685 1.00 1.50 C ATOM 2605 CE LYS B 61 -9.874 18.631 -2.561 1.00 2.31 C ATOM 2606 NZ LYS B 61 -8.467 18.257 -2.299 1.00 3.57 N ATOM 0 H LYS B 61 -12.383 14.551 -3.695 1.00 0.86 H new ATOM 0 HA LYS B 61 -13.006 15.590 -6.265 1.00 0.94 H new ATOM 0 HB2 LYS B 61 -11.613 17.435 -5.635 1.00 1.11 H new ATOM 0 HB3 LYS B 61 -12.690 16.989 -4.326 1.00 1.11 H new ATOM 0 HG2 LYS B 61 -10.471 15.520 -3.645 1.00 1.53 H new ATOM 0 HG3 LYS B 61 -9.709 16.872 -4.459 1.00 1.53 H new ATOM 0 HD2 LYS B 61 -11.836 17.779 -2.666 1.00 1.50 H new ATOM 0 HD3 LYS B 61 -10.671 16.791 -1.807 1.00 1.50 H new ATOM 0 HE2 LYS B 61 -9.923 19.215 -3.480 1.00 2.31 H new ATOM 0 HE3 LYS B 61 -10.228 19.274 -1.755 1.00 2.31 H new ATOM 0 HZ1 LYS B 61 -7.859 19.093 -2.410 1.00 3.57 H new ATOM 0 HZ2 LYS B 61 -8.380 17.892 -1.329 1.00 3.57 H new ATOM 0 HZ3 LYS B 61 -8.172 17.523 -2.974 1.00 3.57 H new ATOM 2620 N SER B 62 -9.995 14.266 -5.957 1.00 0.98 N ATOM 2621 CA SER B 62 -8.911 13.687 -6.751 1.00 1.05 C ATOM 2622 C SER B 62 -9.437 12.738 -7.840 1.00 1.04 C ATOM 2623 O SER B 62 -8.880 12.712 -8.935 1.00 1.20 O ATOM 2624 CB SER B 62 -7.878 12.986 -5.856 1.00 1.13 C ATOM 2625 OG SER B 62 -6.753 12.566 -6.611 1.00 1.42 O ATOM 0 H SER B 62 -9.874 14.179 -4.948 1.00 0.98 H new ATOM 0 HA SER B 62 -8.411 14.512 -7.258 1.00 1.05 H new ATOM 0 HB2 SER B 62 -7.557 13.664 -5.065 1.00 1.13 H new ATOM 0 HB3 SER B 62 -8.337 12.125 -5.371 1.00 1.13 H new ATOM 0 HG SER B 62 -6.109 12.124 -6.020 1.00 1.42 H new ATOM 2631 N LEU B 63 -10.474 11.944 -7.550 1.00 0.96 N ATOM 2632 CA LEU B 63 -11.107 11.094 -8.550 1.00 1.01 C ATOM 2633 C LEU B 63 -11.868 11.957 -9.555 1.00 1.02 C ATOM 2634 O LEU B 63 -11.677 11.806 -10.761 1.00 1.11 O ATOM 2635 CB LEU B 63 -12.038 10.052 -7.898 1.00 1.04 C ATOM 2636 CG LEU B 63 -11.372 8.840 -7.212 1.00 1.11 C ATOM 2637 CD1 LEU B 63 -9.886 8.984 -6.850 1.00 1.13 C ATOM 2638 CD2 LEU B 63 -12.147 8.517 -5.932 1.00 1.42 C ATOM 0 H LEU B 63 -10.891 11.877 -6.622 1.00 0.96 H new ATOM 0 HA LEU B 63 -10.328 10.543 -9.077 1.00 1.01 H new ATOM 0 HB2 LEU B 63 -12.651 10.564 -7.157 1.00 1.04 H new ATOM 0 HB3 LEU B 63 -12.714 9.676 -8.666 1.00 1.04 H new ATOM 0 HG LEU B 63 -11.407 8.046 -7.958 1.00 1.11 H new ATOM 0 HD11 LEU B 63 -9.537 8.067 -6.375 1.00 1.13 H new ATOM 0 HD12 LEU B 63 -9.307 9.167 -7.755 1.00 1.13 H new ATOM 0 HD13 LEU B 63 -9.758 9.820 -6.163 1.00 1.13 H new ATOM 0 HD21 LEU B 63 -11.689 7.662 -5.435 1.00 1.42 H new ATOM 0 HD22 LEU B 63 -12.124 9.379 -5.266 1.00 1.42 H new ATOM 0 HD23 LEU B 63 -13.181 8.279 -6.183 1.00 1.42 H new ATOM 2650 N ASP B 64 -12.731 12.846 -9.061 1.00 0.99 N ATOM 2651 CA ASP B 64 -13.598 13.694 -9.871 1.00 1.06 C ATOM 2652 C ASP B 64 -12.835 14.358 -11.026 1.00 1.09 C ATOM 2653 O ASP B 64 -13.257 14.251 -12.176 1.00 1.22 O ATOM 2654 CB ASP B 64 -14.270 14.730 -8.963 1.00 1.07 C ATOM 2655 CG ASP B 64 -15.315 15.536 -9.715 1.00 1.20 C ATOM 2656 OD1 ASP B 64 -14.927 16.587 -10.264 1.00 1.48 O ATOM 2657 OD2 ASP B 64 -16.483 15.092 -9.702 1.00 1.87 O ATOM 0 H ASP B 64 -12.847 12.998 -8.059 1.00 0.99 H new ATOM 0 HA ASP B 64 -14.365 13.075 -10.336 1.00 1.06 H new ATOM 0 HB2 ASP B 64 -14.738 14.225 -8.118 1.00 1.07 H new ATOM 0 HB3 ASP B 64 -13.515 15.402 -8.555 1.00 1.07 H new ATOM 2662 N VAL B 65 -11.688 14.978 -10.713 1.00 1.03 N ATOM 2663 CA VAL B 65 -10.877 15.788 -11.633 1.00 1.08 C ATOM 2664 C VAL B 65 -10.806 15.196 -13.044 1.00 1.08 C ATOM 2665 O VAL B 65 -11.294 15.792 -14.002 1.00 1.17 O ATOM 2666 CB VAL B 65 -9.462 15.975 -11.050 1.00 1.11 C ATOM 2667 CG1 VAL B 65 -8.453 16.559 -12.050 1.00 1.55 C ATOM 2668 CG2 VAL B 65 -9.517 16.933 -9.867 1.00 1.53 C ATOM 0 H VAL B 65 -11.285 14.927 -9.777 1.00 1.03 H new ATOM 0 HA VAL B 65 -11.366 16.757 -11.731 1.00 1.08 H new ATOM 0 HB VAL B 65 -9.128 14.977 -10.766 1.00 1.11 H new ATOM 0 HG11 VAL B 65 -7.481 16.662 -11.568 1.00 1.55 H new ATOM 0 HG12 VAL B 65 -8.364 15.893 -12.908 1.00 1.55 H new ATOM 0 HG13 VAL B 65 -8.797 17.538 -12.385 1.00 1.55 H new ATOM 0 HG21 VAL B 65 -8.515 17.063 -9.457 1.00 1.53 H new ATOM 0 HG22 VAL B 65 -9.902 17.898 -10.198 1.00 1.53 H new ATOM 0 HG23 VAL B 65 -10.173 16.525 -9.098 1.00 1.53 H new ATOM 2678 N ASN B 66 -10.146 14.044 -13.173 1.00 1.04 N ATOM 2679 CA ASN B 66 -10.058 13.314 -14.444 1.00 1.02 C ATOM 2680 C ASN B 66 -10.179 11.820 -14.202 1.00 0.97 C ATOM 2681 O ASN B 66 -9.298 11.055 -14.598 1.00 0.98 O ATOM 2682 CB ASN B 66 -8.753 13.608 -15.211 1.00 1.10 C ATOM 2683 CG ASN B 66 -8.675 15.031 -15.756 1.00 1.48 C ATOM 2684 OD1 ASN B 66 -7.788 15.795 -15.393 1.00 2.89 O ATOM 2685 ND2 ASN B 66 -9.581 15.398 -16.659 1.00 1.88 N ATOM 0 H ASN B 66 -9.657 13.589 -12.402 1.00 1.04 H new ATOM 0 HA ASN B 66 -10.886 13.661 -15.062 1.00 1.02 H new ATOM 0 HB2 ASN B 66 -7.905 13.434 -14.549 1.00 1.10 H new ATOM 0 HB3 ASN B 66 -8.661 12.905 -16.039 1.00 1.10 H new ATOM 0 HD21 ASN B 66 -9.547 16.333 -17.065 1.00 1.88 H new ATOM 0 HD22 ASN B 66 -10.310 14.744 -16.945 1.00 1.88 H new ATOM 2692 N GLN B 67 -11.295 11.389 -13.611 1.00 0.96 N ATOM 2693 CA GLN B 67 -11.529 9.982 -13.352 1.00 0.92 C ATOM 2694 C GLN B 67 -11.264 9.078 -14.563 1.00 1.02 C ATOM 2695 O GLN B 67 -10.807 7.942 -14.428 1.00 1.09 O ATOM 2696 CB GLN B 67 -12.955 9.753 -12.871 1.00 0.98 C ATOM 2697 CG GLN B 67 -13.979 10.634 -13.609 1.00 1.22 C ATOM 2698 CD GLN B 67 -15.344 9.977 -13.588 1.00 1.88 C ATOM 2699 OE1 GLN B 67 -16.060 10.082 -12.598 1.00 2.77 O ATOM 2700 NE2 GLN B 67 -15.698 9.255 -14.640 1.00 2.94 N ATOM 0 H GLN B 67 -12.049 12.004 -13.305 1.00 0.96 H new ATOM 0 HA GLN B 67 -10.813 9.708 -12.577 1.00 0.92 H new ATOM 0 HB2 GLN B 67 -13.217 8.704 -13.010 1.00 0.98 H new ATOM 0 HB3 GLN B 67 -13.011 9.956 -11.802 1.00 0.98 H new ATOM 0 HG2 GLN B 67 -14.032 11.615 -13.138 1.00 1.22 H new ATOM 0 HG3 GLN B 67 -13.659 10.792 -14.639 1.00 1.22 H new ATOM 0 HE21 GLN B 67 -15.077 9.190 -15.446 1.00 2.94 H new ATOM 0 HE22 GLN B 67 -16.592 8.764 -14.644 1.00 2.94 H new ATOM 2709 N ASP B 68 -11.615 9.589 -15.741 1.00 1.08 N ATOM 2710 CA ASP B 68 -11.614 8.838 -16.981 1.00 1.14 C ATOM 2711 C ASP B 68 -10.187 8.462 -17.384 1.00 1.19 C ATOM 2712 O ASP B 68 -9.980 7.506 -18.126 1.00 1.36 O ATOM 2713 CB ASP B 68 -12.282 9.678 -18.082 1.00 1.13 C ATOM 2714 CG ASP B 68 -13.649 10.218 -17.682 1.00 2.39 C ATOM 2715 OD1 ASP B 68 -14.371 9.493 -16.962 1.00 3.62 O ATOM 2716 OD2 ASP B 68 -13.925 11.377 -18.052 1.00 3.40 O ATOM 0 H ASP B 68 -11.913 10.558 -15.856 1.00 1.08 H new ATOM 0 HA ASP B 68 -12.176 7.914 -16.841 1.00 1.14 H new ATOM 0 HB2 ASP B 68 -11.630 10.513 -18.338 1.00 1.13 H new ATOM 0 HB3 ASP B 68 -12.388 9.069 -18.980 1.00 1.13 H new ATOM 2721 N SER B 69 -9.193 9.228 -16.916 1.00 1.13 N ATOM 2722 CA SER B 69 -7.793 8.919 -17.155 1.00 1.21 C ATOM 2723 C SER B 69 -7.451 7.629 -16.409 1.00 1.29 C ATOM 2724 O SER B 69 -7.673 7.553 -15.203 1.00 2.49 O ATOM 2725 CB SER B 69 -6.933 10.084 -16.651 1.00 1.24 C ATOM 2726 OG SER B 69 -5.593 9.950 -17.086 1.00 1.84 O ATOM 0 H SER B 69 -9.344 10.073 -16.365 1.00 1.13 H new ATOM 0 HA SER B 69 -7.599 8.779 -18.219 1.00 1.21 H new ATOM 0 HB2 SER B 69 -7.344 11.027 -17.012 1.00 1.24 H new ATOM 0 HB3 SER B 69 -6.964 10.119 -15.562 1.00 1.24 H new ATOM 0 HG SER B 69 -5.064 10.705 -16.754 1.00 1.84 H new ATOM 2732 N GLU B 70 -6.916 6.622 -17.101 1.00 0.98 N ATOM 2733 CA GLU B 70 -6.549 5.373 -16.442 1.00 0.86 C ATOM 2734 C GLU B 70 -5.515 5.631 -15.351 1.00 0.97 C ATOM 2735 O GLU B 70 -4.682 6.537 -15.460 1.00 1.42 O ATOM 2736 CB GLU B 70 -5.994 4.333 -17.415 1.00 1.06 C ATOM 2737 CG GLU B 70 -7.018 3.932 -18.484 1.00 1.70 C ATOM 2738 CD GLU B 70 -6.438 4.126 -19.878 1.00 2.39 C ATOM 2739 OE1 GLU B 70 -6.275 5.293 -20.283 1.00 3.27 O ATOM 2740 OE2 GLU B 70 -6.115 3.077 -20.480 1.00 3.10 O ATOM 0 H GLU B 70 -6.730 6.647 -18.104 1.00 0.98 H new ATOM 0 HA GLU B 70 -7.466 4.973 -16.009 1.00 0.86 H new ATOM 0 HB2 GLU B 70 -5.103 4.731 -17.900 1.00 1.06 H new ATOM 0 HB3 GLU B 70 -5.686 3.447 -16.860 1.00 1.06 H new ATOM 0 HG2 GLU B 70 -7.307 2.890 -18.346 1.00 1.70 H new ATOM 0 HG3 GLU B 70 -7.922 4.531 -18.373 1.00 1.70 H new ATOM 2747 N LEU B 71 -5.554 4.806 -14.307 1.00 0.83 N ATOM 2748 CA LEU B 71 -4.652 4.899 -13.174 1.00 0.92 C ATOM 2749 C LEU B 71 -3.492 3.900 -13.316 1.00 0.79 C ATOM 2750 O LEU B 71 -3.555 3.003 -14.157 1.00 0.82 O ATOM 2751 CB LEU B 71 -5.452 4.773 -11.874 1.00 1.18 C ATOM 2752 CG LEU B 71 -5.881 3.349 -11.517 1.00 1.62 C ATOM 2753 CD1 LEU B 71 -5.053 2.848 -10.335 1.00 2.33 C ATOM 2754 CD2 LEU B 71 -7.345 3.335 -11.099 1.00 2.52 C ATOM 0 H LEU B 71 -6.227 4.043 -14.229 1.00 0.83 H new ATOM 0 HA LEU B 71 -4.173 5.878 -13.144 1.00 0.92 H new ATOM 0 HB2 LEU B 71 -4.853 5.172 -11.056 1.00 1.18 H new ATOM 0 HB3 LEU B 71 -6.343 5.397 -11.951 1.00 1.18 H new ATOM 0 HG LEU B 71 -5.732 2.713 -12.390 1.00 1.62 H new ATOM 0 HD11 LEU B 71 -5.359 1.833 -10.081 1.00 2.33 H new ATOM 0 HD12 LEU B 71 -3.996 2.852 -10.603 1.00 2.33 H new ATOM 0 HD13 LEU B 71 -5.212 3.501 -9.477 1.00 2.33 H new ATOM 0 HD21 LEU B 71 -7.642 2.317 -10.847 1.00 2.52 H new ATOM 0 HD22 LEU B 71 -7.481 3.979 -10.230 1.00 2.52 H new ATOM 0 HD23 LEU B 71 -7.962 3.699 -11.921 1.00 2.52 H new ATOM 2766 N LYS B 72 -2.427 4.050 -12.522 1.00 0.76 N ATOM 2767 CA LYS B 72 -1.354 3.069 -12.366 1.00 0.76 C ATOM 2768 C LYS B 72 -1.143 2.791 -10.874 1.00 0.67 C ATOM 2769 O LYS B 72 -1.526 3.608 -10.030 1.00 0.57 O ATOM 2770 CB LYS B 72 -0.037 3.528 -13.021 1.00 1.07 C ATOM 2771 CG LYS B 72 -0.205 4.099 -14.441 1.00 1.18 C ATOM 2772 CD LYS B 72 -0.369 5.630 -14.409 1.00 1.61 C ATOM 2773 CE LYS B 72 -1.555 6.161 -15.232 1.00 2.45 C ATOM 2774 NZ LYS B 72 -2.322 7.180 -14.485 1.00 3.89 N ATOM 0 H LYS B 72 -2.286 4.885 -11.953 1.00 0.76 H new ATOM 0 HA LYS B 72 -1.654 2.155 -12.879 1.00 0.76 H new ATOM 0 HB2 LYS B 72 0.425 4.286 -12.389 1.00 1.07 H new ATOM 0 HB3 LYS B 72 0.650 2.683 -13.060 1.00 1.07 H new ATOM 0 HG2 LYS B 72 0.662 3.836 -15.047 1.00 1.18 H new ATOM 0 HG3 LYS B 72 -1.075 3.647 -14.917 1.00 1.18 H new ATOM 0 HD2 LYS B 72 -0.490 5.948 -13.374 1.00 1.61 H new ATOM 0 HD3 LYS B 72 0.548 6.089 -14.779 1.00 1.61 H new ATOM 0 HE2 LYS B 72 -1.188 6.591 -16.164 1.00 2.45 H new ATOM 0 HE3 LYS B 72 -2.212 5.334 -15.500 1.00 2.45 H new ATOM 0 HZ1 LYS B 72 -3.152 7.467 -15.042 1.00 3.89 H new ATOM 0 HZ2 LYS B 72 -2.635 6.782 -13.576 1.00 3.89 H new ATOM 0 HZ3 LYS B 72 -1.719 8.009 -14.310 1.00 3.89 H new ATOM 2788 N PHE B 73 -0.528 1.650 -10.540 1.00 0.89 N ATOM 2789 CA PHE B 73 -0.386 1.217 -9.147 1.00 0.89 C ATOM 2790 C PHE B 73 0.194 2.302 -8.232 1.00 0.63 C ATOM 2791 O PHE B 73 -0.260 2.470 -7.100 1.00 0.49 O ATOM 2792 CB PHE B 73 0.366 -0.114 -9.035 1.00 1.44 C ATOM 2793 CG PHE B 73 1.823 -0.108 -9.432 1.00 1.26 C ATOM 2794 CD1 PHE B 73 2.788 0.287 -8.494 1.00 2.87 C ATOM 2795 CD2 PHE B 73 2.225 -0.751 -10.619 1.00 1.93 C ATOM 2796 CE1 PHE B 73 4.143 0.038 -8.742 1.00 3.86 C ATOM 2797 CE2 PHE B 73 3.582 -1.026 -10.848 1.00 2.64 C ATOM 2798 CZ PHE B 73 4.547 -0.625 -9.912 1.00 3.41 C ATOM 0 H PHE B 73 -0.120 1.008 -11.220 1.00 0.89 H new ATOM 0 HA PHE B 73 -1.397 1.041 -8.780 1.00 0.89 H new ATOM 0 HB2 PHE B 73 0.296 -0.458 -8.003 1.00 1.44 H new ATOM 0 HB3 PHE B 73 -0.151 -0.849 -9.651 1.00 1.44 H new ATOM 0 HD1 PHE B 73 2.486 0.782 -7.583 1.00 2.87 H new ATOM 0 HD2 PHE B 73 1.487 -1.033 -11.355 1.00 1.93 H new ATOM 0 HE1 PHE B 73 4.885 0.359 -8.026 1.00 3.86 H new ATOM 0 HE2 PHE B 73 3.883 -1.546 -11.745 1.00 2.64 H new ATOM 0 HZ PHE B 73 5.593 -0.825 -10.090 1.00 3.41 H new ATOM 2808 N ASN B 74 1.181 3.049 -8.734 1.00 0.85 N ATOM 2809 CA ASN B 74 1.793 4.183 -8.045 1.00 0.98 C ATOM 2810 C ASN B 74 0.732 5.128 -7.463 1.00 0.84 C ATOM 2811 O ASN B 74 0.833 5.557 -6.315 1.00 1.01 O ATOM 2812 CB ASN B 74 2.705 4.933 -9.028 1.00 1.43 C ATOM 2813 CG ASN B 74 3.421 6.109 -8.370 1.00 1.59 C ATOM 2814 OD1 ASN B 74 4.581 5.994 -7.992 1.00 2.87 O ATOM 2815 ND2 ASN B 74 2.761 7.261 -8.265 1.00 1.87 N ATOM 0 H ASN B 74 1.585 2.876 -9.654 1.00 0.85 H new ATOM 0 HA ASN B 74 2.383 3.809 -7.208 1.00 0.98 H new ATOM 0 HB2 ASN B 74 3.443 4.242 -9.435 1.00 1.43 H new ATOM 0 HB3 ASN B 74 2.111 5.295 -9.867 1.00 1.43 H new ATOM 0 HD21 ASN B 74 3.221 8.077 -7.861 1.00 1.87 H new ATOM 0 HD22 ASN B 74 1.796 7.327 -8.588 1.00 1.87 H new ATOM 2822 N GLU B 75 -0.269 5.475 -8.275 1.00 0.71 N ATOM 2823 CA GLU B 75 -1.299 6.442 -7.927 1.00 0.70 C ATOM 2824 C GLU B 75 -2.311 5.793 -6.982 1.00 0.66 C ATOM 2825 O GLU B 75 -2.637 6.357 -5.938 1.00 0.86 O ATOM 2826 CB GLU B 75 -1.991 6.914 -9.209 1.00 0.74 C ATOM 2827 CG GLU B 75 -1.020 7.548 -10.225 1.00 1.44 C ATOM 2828 CD GLU B 75 -1.610 7.554 -11.625 1.00 2.50 C ATOM 2829 OE1 GLU B 75 -2.408 6.638 -11.921 1.00 3.81 O ATOM 2830 OE2 GLU B 75 -1.219 8.389 -12.469 1.00 3.44 O ATOM 0 H GLU B 75 -0.384 5.081 -9.209 1.00 0.71 H new ATOM 0 HA GLU B 75 -0.853 7.300 -7.423 1.00 0.70 H new ATOM 0 HB2 GLU B 75 -2.493 6.067 -9.676 1.00 0.74 H new ATOM 0 HB3 GLU B 75 -2.762 7.640 -8.952 1.00 0.74 H new ATOM 0 HG2 GLU B 75 -0.789 8.569 -9.921 1.00 1.44 H new ATOM 0 HG3 GLU B 75 -0.080 6.995 -10.227 1.00 1.44 H new ATOM 2837 N TYR B 76 -2.792 4.600 -7.365 1.00 0.53 N ATOM 2838 CA TYR B 76 -3.669 3.758 -6.550 1.00 0.62 C ATOM 2839 C TYR B 76 -3.202 3.773 -5.100 1.00 0.60 C ATOM 2840 O TYR B 76 -3.984 4.064 -4.197 1.00 0.73 O ATOM 2841 CB TYR B 76 -3.649 2.328 -7.105 1.00 0.70 C ATOM 2842 CG TYR B 76 -4.043 1.211 -6.159 1.00 1.05 C ATOM 2843 CD1 TYR B 76 -3.044 0.549 -5.417 1.00 1.94 C ATOM 2844 CD2 TYR B 76 -5.317 0.629 -6.273 1.00 1.79 C ATOM 2845 CE1 TYR B 76 -3.336 -0.651 -4.754 1.00 2.23 C ATOM 2846 CE2 TYR B 76 -5.617 -0.561 -5.588 1.00 2.05 C ATOM 2847 CZ TYR B 76 -4.634 -1.182 -4.800 1.00 1.82 C ATOM 2848 OH TYR B 76 -4.939 -2.308 -4.097 1.00 2.23 O ATOM 0 H TYR B 76 -2.574 4.188 -8.272 1.00 0.53 H new ATOM 0 HA TYR B 76 -4.688 4.143 -6.587 1.00 0.62 H new ATOM 0 HB2 TYR B 76 -4.315 2.291 -7.967 1.00 0.70 H new ATOM 0 HB3 TYR B 76 -2.643 2.122 -7.471 1.00 0.70 H new ATOM 0 HD1 TYR B 76 -2.050 0.968 -5.359 1.00 1.94 H new ATOM 0 HD2 TYR B 76 -6.069 1.098 -6.890 1.00 1.79 H new ATOM 0 HE1 TYR B 76 -2.561 -1.167 -4.207 1.00 2.23 H new ATOM 0 HE2 TYR B 76 -6.602 -0.997 -5.667 1.00 2.05 H new ATOM 0 HH TYR B 76 -5.912 -2.413 -4.053 1.00 2.23 H new ATOM 2858 N TRP B 77 -1.921 3.459 -4.897 1.00 0.49 N ATOM 2859 CA TRP B 77 -1.317 3.332 -3.585 1.00 0.47 C ATOM 2860 C TRP B 77 -1.796 4.385 -2.577 1.00 0.49 C ATOM 2861 O TRP B 77 -2.560 4.075 -1.666 1.00 0.49 O ATOM 2862 CB TRP B 77 0.206 3.331 -3.749 1.00 0.48 C ATOM 2863 CG TRP B 77 0.820 2.238 -2.972 1.00 0.43 C ATOM 2864 CD1 TRP B 77 1.168 2.312 -1.678 1.00 0.42 C ATOM 2865 CD2 TRP B 77 1.202 0.913 -3.422 1.00 0.42 C ATOM 2866 NE1 TRP B 77 1.603 1.085 -1.254 1.00 0.40 N ATOM 2867 CE2 TRP B 77 1.698 0.194 -2.299 1.00 0.41 C ATOM 2868 CE3 TRP B 77 1.289 0.288 -4.681 1.00 0.49 C ATOM 2869 CZ2 TRP B 77 2.186 -1.112 -2.409 1.00 0.49 C ATOM 2870 CZ3 TRP B 77 1.846 -0.993 -4.787 1.00 0.52 C ATOM 2871 CH2 TRP B 77 2.136 -1.742 -3.656 1.00 0.58 C ATOM 0 H TRP B 77 -1.268 3.284 -5.661 1.00 0.49 H new ATOM 0 HA TRP B 77 -1.642 2.386 -3.151 1.00 0.47 H new ATOM 0 HB2 TRP B 77 0.462 3.221 -4.803 1.00 0.48 H new ATOM 0 HB3 TRP B 77 0.611 4.288 -3.421 1.00 0.48 H new ATOM 0 HD1 TRP B 77 1.113 3.201 -1.067 1.00 0.42 H new ATOM 0 HE1 TRP B 77 1.828 0.859 -0.285 1.00 0.40 H new ATOM 0 HE3 TRP B 77 0.927 0.795 -5.563 1.00 0.49 H new ATOM 0 HZ2 TRP B 77 2.593 -1.623 -1.549 1.00 0.49 H new ATOM 0 HZ3 TRP B 77 2.053 -1.404 -5.764 1.00 0.52 H new ATOM 0 HH2 TRP B 77 2.322 -2.803 -3.738 1.00 0.58 H new ATOM 2882 N ARG B 78 -1.345 5.631 -2.743 1.00 0.55 N ATOM 2883 CA ARG B 78 -1.732 6.781 -1.932 1.00 0.61 C ATOM 2884 C ARG B 78 -3.234 6.727 -1.594 1.00 0.64 C ATOM 2885 O ARG B 78 -3.632 6.820 -0.433 1.00 0.67 O ATOM 2886 CB ARG B 78 -1.415 8.086 -2.697 1.00 0.66 C ATOM 2887 CG ARG B 78 -0.214 7.992 -3.657 1.00 1.27 C ATOM 2888 CD ARG B 78 0.178 9.320 -4.316 1.00 1.28 C ATOM 2889 NE ARG B 78 0.515 10.380 -3.348 1.00 2.61 N ATOM 2890 CZ ARG B 78 -0.311 11.349 -2.910 1.00 3.66 C ATOM 2891 NH1 ARG B 78 -1.598 11.353 -3.276 1.00 4.29 N ATOM 2892 NH2 ARG B 78 0.156 12.308 -2.102 1.00 5.19 N ATOM 0 H ARG B 78 -0.676 5.872 -3.474 1.00 0.55 H new ATOM 0 HA ARG B 78 -1.166 6.757 -1.001 1.00 0.61 H new ATOM 0 HB2 ARG B 78 -2.296 8.381 -3.267 1.00 0.66 H new ATOM 0 HB3 ARG B 78 -1.224 8.878 -1.973 1.00 0.66 H new ATOM 0 HG2 ARG B 78 0.645 7.606 -3.108 1.00 1.27 H new ATOM 0 HG3 ARG B 78 -0.445 7.267 -4.438 1.00 1.27 H new ATOM 0 HD2 ARG B 78 1.032 9.153 -4.972 1.00 1.28 H new ATOM 0 HD3 ARG B 78 -0.644 9.661 -4.945 1.00 1.28 H new ATOM 0 HE ARG B 78 1.464 10.379 -2.975 1.00 2.61 H new ATOM 0 HH11 ARG B 78 -1.956 10.620 -3.889 1.00 4.29 H new ATOM 0 HH12 ARG B 78 -2.221 12.089 -2.942 1.00 4.29 H new ATOM 0 HH21 ARG B 78 1.136 12.304 -1.819 1.00 5.19 H new ATOM 0 HH22 ARG B 78 -0.468 13.043 -1.769 1.00 5.19 H new ATOM 2906 N LEU B 79 -4.071 6.551 -2.623 1.00 0.63 N ATOM 2907 CA LEU B 79 -5.521 6.541 -2.491 1.00 0.62 C ATOM 2908 C LEU B 79 -5.986 5.392 -1.591 1.00 0.53 C ATOM 2909 O LEU B 79 -6.818 5.616 -0.710 1.00 0.54 O ATOM 2910 CB LEU B 79 -6.192 6.502 -3.877 1.00 0.71 C ATOM 2911 CG LEU B 79 -6.269 7.871 -4.582 1.00 1.03 C ATOM 2912 CD1 LEU B 79 -5.005 8.733 -4.475 1.00 1.39 C ATOM 2913 CD2 LEU B 79 -6.562 7.663 -6.073 1.00 1.40 C ATOM 0 H LEU B 79 -3.750 6.410 -3.581 1.00 0.63 H new ATOM 0 HA LEU B 79 -5.830 7.467 -2.006 1.00 0.62 H new ATOM 0 HB2 LEU B 79 -5.643 5.808 -4.514 1.00 0.71 H new ATOM 0 HB3 LEU B 79 -7.201 6.105 -3.768 1.00 0.71 H new ATOM 0 HG LEU B 79 -7.064 8.408 -4.064 1.00 1.03 H new ATOM 0 HD11 LEU B 79 -5.161 9.674 -5.003 1.00 1.39 H new ATOM 0 HD12 LEU B 79 -4.791 8.936 -3.426 1.00 1.39 H new ATOM 0 HD13 LEU B 79 -4.164 8.202 -4.920 1.00 1.39 H new ATOM 0 HD21 LEU B 79 -6.616 8.631 -6.572 1.00 1.40 H new ATOM 0 HD22 LEU B 79 -5.766 7.068 -6.521 1.00 1.40 H new ATOM 0 HD23 LEU B 79 -7.512 7.142 -6.188 1.00 1.40 H new ATOM 2925 N ILE B 80 -5.480 4.166 -1.771 1.00 0.49 N ATOM 2926 CA ILE B 80 -5.897 3.089 -0.869 1.00 0.46 C ATOM 2927 C ILE B 80 -5.419 3.368 0.554 1.00 0.49 C ATOM 2928 O ILE B 80 -6.078 2.954 1.498 1.00 0.57 O ATOM 2929 CB ILE B 80 -5.547 1.661 -1.330 1.00 0.47 C ATOM 2930 CG1 ILE B 80 -4.155 1.221 -0.868 1.00 0.56 C ATOM 2931 CG2 ILE B 80 -5.636 1.538 -2.836 1.00 0.67 C ATOM 2932 CD1 ILE B 80 -3.748 -0.208 -1.216 1.00 0.47 C ATOM 0 H ILE B 80 -4.813 3.903 -2.497 1.00 0.49 H new ATOM 0 HA ILE B 80 -6.987 3.101 -0.892 1.00 0.46 H new ATOM 0 HB ILE B 80 -6.281 1.003 -0.866 1.00 0.47 H new ATOM 0 HG12 ILE B 80 -3.420 1.901 -1.300 1.00 0.56 H new ATOM 0 HG13 ILE B 80 -4.101 1.338 0.214 1.00 0.56 H new ATOM 0 HG21 ILE B 80 -5.384 0.520 -3.133 1.00 0.67 H new ATOM 0 HG22 ILE B 80 -6.650 1.770 -3.161 1.00 0.67 H new ATOM 0 HG23 ILE B 80 -4.938 2.235 -3.300 1.00 0.67 H new ATOM 0 HD11 ILE B 80 -2.745 -0.403 -0.838 1.00 0.47 H new ATOM 0 HD12 ILE B 80 -4.450 -0.907 -0.761 1.00 0.47 H new ATOM 0 HD13 ILE B 80 -3.759 -0.336 -2.298 1.00 0.47 H new ATOM 2944 N GLY B 81 -4.280 4.039 0.735 1.00 0.56 N ATOM 2945 CA GLY B 81 -3.846 4.401 2.077 1.00 0.79 C ATOM 2946 C GLY B 81 -4.787 5.422 2.709 1.00 0.70 C ATOM 2947 O GLY B 81 -5.054 5.353 3.906 1.00 0.76 O ATOM 0 H GLY B 81 -3.656 4.336 -0.015 1.00 0.56 H new ATOM 0 HA2 GLY B 81 -3.803 3.508 2.701 1.00 0.79 H new ATOM 0 HA3 GLY B 81 -2.837 4.810 2.037 1.00 0.79 H new ATOM 2951 N GLU B 82 -5.341 6.343 1.918 1.00 0.63 N ATOM 2952 CA GLU B 82 -6.459 7.126 2.418 1.00 0.69 C ATOM 2953 C GLU B 82 -7.635 6.193 2.746 1.00 0.64 C ATOM 2954 O GLU B 82 -8.146 6.239 3.860 1.00 0.77 O ATOM 2955 CB GLU B 82 -6.797 8.300 1.489 1.00 0.78 C ATOM 2956 CG GLU B 82 -5.641 9.320 1.417 1.00 0.97 C ATOM 2957 CD GLU B 82 -5.358 10.004 2.752 1.00 3.12 C ATOM 2958 OE1 GLU B 82 -4.590 9.460 3.575 1.00 4.67 O ATOM 2959 OE2 GLU B 82 -5.936 11.074 3.029 1.00 4.00 O ATOM 0 H GLU B 82 -5.045 6.556 0.966 1.00 0.63 H new ATOM 0 HA GLU B 82 -6.183 7.611 3.355 1.00 0.69 H new ATOM 0 HB2 GLU B 82 -7.013 7.923 0.489 1.00 0.78 H new ATOM 0 HB3 GLU B 82 -7.700 8.797 1.844 1.00 0.78 H new ATOM 0 HG2 GLU B 82 -4.738 8.813 1.078 1.00 0.97 H new ATOM 0 HG3 GLU B 82 -5.880 10.078 0.671 1.00 0.97 H new ATOM 2966 N LEU B 83 -8.015 5.264 1.858 1.00 0.56 N ATOM 2967 CA LEU B 83 -9.025 4.258 2.186 1.00 0.62 C ATOM 2968 C LEU B 83 -8.743 3.628 3.569 1.00 0.70 C ATOM 2969 O LEU B 83 -9.638 3.564 4.409 1.00 0.81 O ATOM 2970 CB LEU B 83 -9.163 3.220 1.058 1.00 0.63 C ATOM 2971 CG LEU B 83 -10.567 2.606 0.903 1.00 1.18 C ATOM 2972 CD1 LEU B 83 -11.191 2.214 2.238 1.00 2.36 C ATOM 2973 CD2 LEU B 83 -11.536 3.530 0.161 1.00 2.22 C ATOM 0 H LEU B 83 -7.638 5.191 0.913 1.00 0.56 H new ATOM 0 HA LEU B 83 -9.996 4.747 2.263 1.00 0.62 H new ATOM 0 HB2 LEU B 83 -8.883 3.691 0.116 1.00 0.63 H new ATOM 0 HB3 LEU B 83 -8.449 2.416 1.236 1.00 0.63 H new ATOM 0 HG LEU B 83 -10.409 1.706 0.309 1.00 1.18 H new ATOM 0 HD11 LEU B 83 -12.179 1.787 2.066 1.00 2.36 H new ATOM 0 HD12 LEU B 83 -10.558 1.477 2.733 1.00 2.36 H new ATOM 0 HD13 LEU B 83 -11.282 3.097 2.870 1.00 2.36 H new ATOM 0 HD21 LEU B 83 -12.510 3.047 0.080 1.00 2.22 H new ATOM 0 HD22 LEU B 83 -11.639 4.466 0.711 1.00 2.22 H new ATOM 0 HD23 LEU B 83 -11.150 3.736 -0.837 1.00 2.22 H new ATOM 2985 N ALA B 84 -7.490 3.235 3.834 1.00 0.66 N ATOM 2986 CA ALA B 84 -7.021 2.691 5.103 1.00 0.77 C ATOM 2987 C ALA B 84 -7.523 3.459 6.340 1.00 1.08 C ATOM 2988 O ALA B 84 -7.873 2.825 7.332 1.00 1.38 O ATOM 2989 CB ALA B 84 -5.486 2.575 5.089 1.00 0.66 C ATOM 0 H ALA B 84 -6.748 3.292 3.136 1.00 0.66 H new ATOM 0 HA ALA B 84 -7.457 1.697 5.198 1.00 0.77 H new ATOM 0 HB1 ALA B 84 -5.143 2.168 6.040 1.00 0.66 H new ATOM 0 HB2 ALA B 84 -5.178 1.913 4.279 1.00 0.66 H new ATOM 0 HB3 ALA B 84 -5.048 3.562 4.938 1.00 0.66 H new ATOM 2995 N LYS B 85 -7.538 4.801 6.313 1.00 1.16 N ATOM 2996 CA LYS B 85 -8.150 5.609 7.378 1.00 1.58 C ATOM 2997 C LYS B 85 -9.666 5.728 7.201 1.00 1.57 C ATOM 2998 O LYS B 85 -10.404 5.695 8.187 1.00 1.95 O ATOM 2999 CB LYS B 85 -7.499 7.002 7.513 1.00 1.84 C ATOM 3000 CG LYS B 85 -7.300 7.688 6.162 1.00 1.81 C ATOM 3001 CD LYS B 85 -7.021 9.186 6.135 1.00 1.65 C ATOM 3002 CE LYS B 85 -5.635 9.656 6.576 1.00 2.09 C ATOM 3003 NZ LYS B 85 -5.240 10.829 5.769 1.00 2.48 N ATOM 0 H LYS B 85 -7.130 5.352 5.558 1.00 1.16 H new ATOM 0 HA LYS B 85 -7.962 5.076 8.310 1.00 1.58 H new ATOM 0 HB2 LYS B 85 -8.123 7.631 8.148 1.00 1.84 H new ATOM 0 HB3 LYS B 85 -6.535 6.902 8.012 1.00 1.84 H new ATOM 0 HG2 LYS B 85 -6.473 7.189 5.657 1.00 1.81 H new ATOM 0 HG3 LYS B 85 -8.194 7.508 5.565 1.00 1.81 H new ATOM 0 HD2 LYS B 85 -7.188 9.540 5.118 1.00 1.65 H new ATOM 0 HD3 LYS B 85 -7.760 9.677 6.769 1.00 1.65 H new ATOM 0 HE2 LYS B 85 -5.646 9.915 7.635 1.00 2.09 H new ATOM 0 HE3 LYS B 85 -4.909 8.853 6.451 1.00 2.09 H new ATOM 0 HZ1 LYS B 85 -4.702 11.493 6.362 1.00 2.48 H new ATOM 0 HZ2 LYS B 85 -4.649 10.519 4.972 1.00 2.48 H new ATOM 0 HZ3 LYS B 85 -6.091 11.302 5.405 1.00 2.48 H new ATOM 3017 N GLU B 86 -10.103 5.931 5.953 1.00 1.18 N ATOM 3018 CA GLU B 86 -11.489 6.176 5.582 1.00 1.17 C ATOM 3019 C GLU B 86 -12.381 5.090 6.180 1.00 1.53 C ATOM 3020 O GLU B 86 -13.350 5.422 6.853 1.00 2.08 O ATOM 3021 CB GLU B 86 -11.614 6.292 4.042 1.00 0.96 C ATOM 3022 CG GLU B 86 -12.068 7.668 3.520 1.00 1.18 C ATOM 3023 CD GLU B 86 -11.064 8.727 3.882 1.00 2.05 C ATOM 3024 OE1 GLU B 86 -10.041 8.821 3.173 1.00 2.55 O ATOM 3025 OE2 GLU B 86 -11.380 9.471 4.834 1.00 3.80 O ATOM 0 H GLU B 86 -9.474 5.928 5.150 1.00 1.18 H new ATOM 0 HA GLU B 86 -11.829 7.127 5.993 1.00 1.17 H new ATOM 0 HB2 GLU B 86 -10.648 6.054 3.597 1.00 0.96 H new ATOM 0 HB3 GLU B 86 -12.320 5.539 3.694 1.00 0.96 H new ATOM 0 HG2 GLU B 86 -12.191 7.630 2.438 1.00 1.18 H new ATOM 0 HG3 GLU B 86 -13.040 7.921 3.943 1.00 1.18 H new ATOM 3032 N ILE B 87 -12.066 3.816 5.940 1.00 1.29 N ATOM 3033 CA ILE B 87 -12.690 2.648 6.528 1.00 1.46 C ATOM 3034 C ILE B 87 -12.100 2.301 7.894 1.00 1.58 C ATOM 3035 O ILE B 87 -10.887 2.271 8.091 1.00 1.26 O ATOM 3036 CB ILE B 87 -12.656 1.458 5.564 1.00 1.34 C ATOM 3037 CG1 ILE B 87 -13.752 0.474 5.993 1.00 1.64 C ATOM 3038 CG2 ILE B 87 -11.288 0.764 5.520 1.00 1.25 C ATOM 3039 CD1 ILE B 87 -13.852 -0.671 5.002 1.00 3.74 C ATOM 0 H ILE B 87 -11.322 3.566 5.289 1.00 1.29 H new ATOM 0 HA ILE B 87 -13.737 2.895 6.704 1.00 1.46 H new ATOM 0 HB ILE B 87 -12.834 1.822 4.552 1.00 1.34 H new ATOM 0 HG12 ILE B 87 -13.532 0.085 6.987 1.00 1.64 H new ATOM 0 HG13 ILE B 87 -14.709 0.992 6.058 1.00 1.64 H new ATOM 0 HG21 ILE B 87 -11.326 -0.071 4.820 1.00 1.25 H new ATOM 0 HG22 ILE B 87 -10.529 1.476 5.195 1.00 1.25 H new ATOM 0 HG23 ILE B 87 -11.036 0.393 6.514 1.00 1.25 H new ATOM 0 HD11 ILE B 87 -14.634 -1.360 5.320 1.00 3.74 H new ATOM 0 HD12 ILE B 87 -14.095 -0.278 4.015 1.00 3.74 H new ATOM 0 HD13 ILE B 87 -12.899 -1.198 4.958 1.00 3.74 H new ATOM 3051 N ARG B 88 -12.976 2.016 8.854 1.00 2.34 N ATOM 3052 CA ARG B 88 -12.589 1.740 10.230 1.00 2.69 C ATOM 3053 C ARG B 88 -12.176 0.285 10.469 1.00 2.39 C ATOM 3054 O ARG B 88 -12.810 -0.414 11.251 1.00 2.78 O ATOM 3055 CB ARG B 88 -13.673 2.258 11.191 1.00 3.52 C ATOM 3056 CG ARG B 88 -13.097 2.970 12.425 1.00 3.46 C ATOM 3057 CD ARG B 88 -12.258 4.200 12.035 1.00 3.05 C ATOM 3058 NE ARG B 88 -12.050 5.119 13.161 1.00 3.66 N ATOM 3059 CZ ARG B 88 -11.314 6.241 13.078 1.00 4.03 C ATOM 3060 NH1 ARG B 88 -10.749 6.587 11.913 1.00 4.22 N ATOM 3061 NH2 ARG B 88 -11.146 7.008 14.162 1.00 5.04 N ATOM 0 H ARG B 88 -13.982 1.970 8.695 1.00 2.34 H new ATOM 0 HA ARG B 88 -11.675 2.293 10.445 1.00 2.69 H new ATOM 0 HB2 ARG B 88 -14.327 2.946 10.655 1.00 3.52 H new ATOM 0 HB3 ARG B 88 -14.290 1.421 11.517 1.00 3.52 H new ATOM 0 HG2 ARG B 88 -13.912 3.279 13.080 1.00 3.46 H new ATOM 0 HG3 ARG B 88 -12.479 2.273 12.991 1.00 3.46 H new ATOM 0 HD2 ARG B 88 -11.291 3.870 11.656 1.00 3.05 H new ATOM 0 HD3 ARG B 88 -12.754 4.732 11.223 1.00 3.05 H new ATOM 0 HE ARG B 88 -12.488 4.894 14.055 1.00 3.66 H new ATOM 0 HH11 ARG B 88 -10.877 5.999 11.089 1.00 4.22 H new ATOM 0 HH12 ARG B 88 -10.191 7.438 11.850 1.00 4.22 H new ATOM 0 HH21 ARG B 88 -11.576 6.741 15.048 1.00 5.04 H new ATOM 0 HH22 ARG B 88 -10.588 7.860 14.103 1.00 5.04 H new ATOM 3075 N LYS B 89 -11.067 -0.157 9.866 1.00 1.82 N ATOM 3076 CA LYS B 89 -10.479 -1.451 10.221 1.00 1.44 C ATOM 3077 C LYS B 89 -10.251 -1.558 11.738 1.00 1.49 C ATOM 3078 O LYS B 89 -10.521 -2.597 12.339 1.00 1.43 O ATOM 3079 CB LYS B 89 -9.159 -1.676 9.473 1.00 1.45 C ATOM 3080 CG LYS B 89 -9.372 -2.283 8.080 1.00 1.86 C ATOM 3081 CD LYS B 89 -7.999 -2.594 7.466 1.00 2.04 C ATOM 3082 CE LYS B 89 -8.024 -3.670 6.373 1.00 3.00 C ATOM 3083 NZ LYS B 89 -8.894 -3.342 5.235 1.00 3.68 N ATOM 0 H LYS B 89 -10.565 0.355 9.140 1.00 1.82 H new ATOM 0 HA LYS B 89 -11.185 -2.226 9.923 1.00 1.44 H new ATOM 0 HB2 LYS B 89 -8.633 -0.726 9.376 1.00 1.45 H new ATOM 0 HB3 LYS B 89 -8.520 -2.336 10.060 1.00 1.45 H new ATOM 0 HG2 LYS B 89 -9.969 -3.192 8.151 1.00 1.86 H new ATOM 0 HG3 LYS B 89 -9.922 -1.589 7.445 1.00 1.86 H new ATOM 0 HD2 LYS B 89 -7.586 -1.677 7.047 1.00 2.04 H new ATOM 0 HD3 LYS B 89 -7.324 -2.915 8.259 1.00 2.04 H new ATOM 0 HE2 LYS B 89 -7.009 -3.827 6.008 1.00 3.00 H new ATOM 0 HE3 LYS B 89 -8.355 -4.612 6.811 1.00 3.00 H new ATOM 0 HZ1 LYS B 89 -9.725 -3.967 5.242 1.00 3.68 H new ATOM 0 HZ2 LYS B 89 -9.205 -2.352 5.309 1.00 3.68 H new ATOM 0 HZ3 LYS B 89 -8.369 -3.474 4.347 1.00 3.68 H new ATOM 3097 N LYS B 90 -9.749 -0.477 12.350 1.00 1.87 N ATOM 3098 CA LYS B 90 -9.557 -0.336 13.792 1.00 2.46 C ATOM 3099 C LYS B 90 -8.528 -1.345 14.322 1.00 1.65 C ATOM 3100 O LYS B 90 -7.379 -0.984 14.558 1.00 2.03 O ATOM 3101 CB LYS B 90 -10.913 -0.421 14.519 1.00 4.25 C ATOM 3102 CG LYS B 90 -10.809 -0.219 16.039 1.00 5.04 C ATOM 3103 CD LYS B 90 -11.975 -0.946 16.719 1.00 6.90 C ATOM 3104 CE LYS B 90 -11.874 -0.861 18.248 1.00 7.92 C ATOM 3105 NZ LYS B 90 -12.735 -1.870 18.895 1.00 9.45 N ATOM 0 H LYS B 90 -9.456 0.351 11.832 1.00 1.87 H new ATOM 0 HA LYS B 90 -9.141 0.650 13.999 1.00 2.46 H new ATOM 0 HB2 LYS B 90 -11.585 0.331 14.106 1.00 4.25 H new ATOM 0 HB3 LYS B 90 -11.362 -1.394 14.320 1.00 4.25 H new ATOM 0 HG2 LYS B 90 -9.858 -0.606 16.406 1.00 5.04 H new ATOM 0 HG3 LYS B 90 -10.835 0.844 16.280 1.00 5.04 H new ATOM 0 HD2 LYS B 90 -12.918 -0.510 16.391 1.00 6.90 H new ATOM 0 HD3 LYS B 90 -11.983 -1.992 16.411 1.00 6.90 H new ATOM 0 HE2 LYS B 90 -10.839 -1.010 18.556 1.00 7.92 H new ATOM 0 HE3 LYS B 90 -12.164 0.136 18.580 1.00 7.92 H new ATOM 0 HZ1 LYS B 90 -12.401 -2.041 19.865 1.00 9.45 H new ATOM 0 HZ2 LYS B 90 -13.715 -1.524 18.922 1.00 9.45 H new ATOM 0 HZ3 LYS B 90 -12.696 -2.757 18.354 1.00 9.45 H new ATOM 3119 N LYS B 91 -8.962 -2.588 14.544 1.00 1.64 N ATOM 3120 CA LYS B 91 -8.133 -3.716 14.951 1.00 2.47 C ATOM 3121 C LYS B 91 -8.939 -5.008 14.815 1.00 2.41 C ATOM 3122 O LYS B 91 -8.413 -6.019 14.356 1.00 3.05 O ATOM 3123 CB LYS B 91 -7.535 -3.557 16.369 1.00 3.55 C ATOM 3124 CG LYS B 91 -8.482 -3.933 17.519 1.00 3.86 C ATOM 3125 CD LYS B 91 -7.795 -3.856 18.888 1.00 5.00 C ATOM 3126 CE LYS B 91 -8.672 -4.590 19.918 1.00 5.59 C ATOM 3127 NZ LYS B 91 -8.083 -4.597 21.271 1.00 6.61 N ATOM 0 H LYS B 91 -9.944 -2.843 14.439 1.00 1.64 H new ATOM 0 HA LYS B 91 -7.271 -3.754 14.285 1.00 2.47 H new ATOM 0 HB2 LYS B 91 -6.639 -4.173 16.440 1.00 3.55 H new ATOM 0 HB3 LYS B 91 -7.221 -2.521 16.501 1.00 3.55 H new ATOM 0 HG2 LYS B 91 -9.344 -3.266 17.510 1.00 3.86 H new ATOM 0 HG3 LYS B 91 -8.859 -4.943 17.361 1.00 3.86 H new ATOM 0 HD2 LYS B 91 -6.805 -4.311 18.841 1.00 5.00 H new ATOM 0 HD3 LYS B 91 -7.654 -2.816 19.183 1.00 5.00 H new ATOM 0 HE2 LYS B 91 -9.653 -4.116 19.956 1.00 5.59 H new ATOM 0 HE3 LYS B 91 -8.827 -5.618 19.589 1.00 5.59 H new ATOM 0 HZ1 LYS B 91 -8.716 -5.104 21.922 1.00 6.61 H new ATOM 0 HZ2 LYS B 91 -7.159 -5.073 21.245 1.00 6.61 H new ATOM 0 HZ3 LYS B 91 -7.959 -3.618 21.601 1.00 6.61 H new ATOM 3141 N ASP B 92 -10.212 -4.992 15.241 1.00 2.16 N ATOM 3142 CA ASP B 92 -11.001 -6.208 15.421 1.00 2.53 C ATOM 3143 C ASP B 92 -11.615 -6.614 14.077 1.00 2.18 C ATOM 3144 O ASP B 92 -12.820 -6.839 13.971 1.00 2.45 O ATOM 3145 CB ASP B 92 -12.102 -5.944 16.469 1.00 3.19 C ATOM 3146 CG ASP B 92 -11.584 -5.334 17.764 1.00 4.22 C ATOM 3147 OD1 ASP B 92 -11.017 -6.082 18.585 1.00 5.36 O ATOM 3148 OD2 ASP B 92 -11.744 -4.101 17.915 1.00 4.51 O ATOM 0 H ASP B 92 -10.717 -4.135 15.468 1.00 2.16 H new ATOM 0 HA ASP B 92 -10.368 -7.022 15.775 1.00 2.53 H new ATOM 0 HB2 ASP B 92 -12.849 -5.278 16.038 1.00 3.19 H new ATOM 0 HB3 ASP B 92 -12.606 -6.883 16.697 1.00 3.19 H new ATOM 3153 N LEU B 93 -10.755 -6.775 13.072 1.00 1.88 N ATOM 3154 CA LEU B 93 -11.080 -6.787 11.650 1.00 1.56 C ATOM 3155 C LEU B 93 -12.274 -7.704 11.363 1.00 1.27 C ATOM 3156 O LEU B 93 -13.360 -7.268 10.978 1.00 1.17 O ATOM 3157 CB LEU B 93 -9.794 -7.171 10.886 1.00 2.16 C ATOM 3158 CG LEU B 93 -9.378 -6.114 9.855 1.00 1.34 C ATOM 3159 CD1 LEU B 93 -7.890 -6.272 9.523 1.00 2.22 C ATOM 3160 CD2 LEU B 93 -10.224 -6.274 8.589 1.00 2.63 C ATOM 0 H LEU B 93 -9.758 -6.908 13.240 1.00 1.88 H new ATOM 0 HA LEU B 93 -11.404 -5.804 11.307 1.00 1.56 H new ATOM 0 HB2 LEU B 93 -8.982 -7.316 11.599 1.00 2.16 H new ATOM 0 HB3 LEU B 93 -9.948 -8.124 10.381 1.00 2.16 H new ATOM 0 HG LEU B 93 -9.541 -5.118 10.267 1.00 1.34 H new ATOM 0 HD11 LEU B 93 -7.599 -5.519 8.790 1.00 2.22 H new ATOM 0 HD12 LEU B 93 -7.299 -6.143 10.430 1.00 2.22 H new ATOM 0 HD13 LEU B 93 -7.712 -7.266 9.112 1.00 2.22 H new ATOM 0 HD21 LEU B 93 -9.928 -5.523 7.857 1.00 2.63 H new ATOM 0 HD22 LEU B 93 -10.069 -7.269 8.171 1.00 2.63 H new ATOM 0 HD23 LEU B 93 -11.278 -6.144 8.837 1.00 2.63 H new ATOM 3172 N LYS B 94 -12.106 -8.982 11.695 1.00 1.52 N ATOM 3173 CA LYS B 94 -13.083 -10.024 11.440 1.00 1.59 C ATOM 3174 C LYS B 94 -14.503 -9.736 11.950 1.00 1.53 C ATOM 3175 O LYS B 94 -15.440 -10.440 11.571 1.00 1.68 O ATOM 3176 CB LYS B 94 -12.495 -11.399 11.778 1.00 2.16 C ATOM 3177 CG LYS B 94 -12.158 -11.620 13.257 1.00 3.32 C ATOM 3178 CD LYS B 94 -13.413 -11.944 14.078 1.00 5.09 C ATOM 3179 CE LYS B 94 -13.512 -10.981 15.273 1.00 6.50 C ATOM 3180 NZ LYS B 94 -14.742 -11.184 16.063 1.00 8.32 N ATOM 0 H LYS B 94 -11.265 -9.324 12.160 1.00 1.52 H new ATOM 0 HA LYS B 94 -13.278 -10.037 10.368 1.00 1.59 H new ATOM 0 HB2 LYS B 94 -13.203 -12.166 11.465 1.00 2.16 H new ATOM 0 HB3 LYS B 94 -11.589 -11.543 11.190 1.00 2.16 H new ATOM 0 HG2 LYS B 94 -11.441 -12.436 13.350 1.00 3.32 H new ATOM 0 HG3 LYS B 94 -11.679 -10.727 13.659 1.00 3.32 H new ATOM 0 HD2 LYS B 94 -14.301 -11.856 13.453 1.00 5.09 H new ATOM 0 HD3 LYS B 94 -13.373 -12.974 14.431 1.00 5.09 H new ATOM 0 HE2 LYS B 94 -12.644 -11.117 15.918 1.00 6.50 H new ATOM 0 HE3 LYS B 94 -13.482 -9.953 14.911 1.00 6.50 H new ATOM 0 HZ1 LYS B 94 -14.760 -10.511 16.856 1.00 8.32 H new ATOM 0 HZ2 LYS B 94 -15.573 -11.029 15.457 1.00 8.32 H new ATOM 0 HZ3 LYS B 94 -14.760 -12.156 16.433 1.00 8.32 H new ATOM 3194 N ILE B 95 -14.688 -8.780 12.869 1.00 1.53 N ATOM 3195 CA ILE B 95 -16.011 -8.374 13.305 1.00 1.70 C ATOM 3196 C ILE B 95 -16.892 -7.853 12.162 1.00 1.66 C ATOM 3197 O ILE B 95 -18.115 -7.956 12.287 1.00 1.98 O ATOM 3198 CB ILE B 95 -15.872 -7.349 14.446 1.00 1.81 C ATOM 3199 CG1 ILE B 95 -17.069 -7.424 15.402 1.00 2.97 C ATOM 3200 CG2 ILE B 95 -15.672 -5.917 13.920 1.00 2.55 C ATOM 3201 CD1 ILE B 95 -16.785 -6.605 16.660 1.00 3.24 C ATOM 0 H ILE B 95 -13.926 -8.276 13.322 1.00 1.53 H new ATOM 0 HA ILE B 95 -16.532 -9.257 13.676 1.00 1.70 H new ATOM 0 HB ILE B 95 -14.973 -7.611 15.004 1.00 1.81 H new ATOM 0 HG12 ILE B 95 -17.964 -7.047 14.907 1.00 2.97 H new ATOM 0 HG13 ILE B 95 -17.266 -8.462 15.671 1.00 2.97 H new ATOM 0 HG21 ILE B 95 -15.579 -5.230 14.761 1.00 2.55 H new ATOM 0 HG22 ILE B 95 -14.766 -5.875 13.315 1.00 2.55 H new ATOM 0 HG23 ILE B 95 -16.529 -5.630 13.310 1.00 2.55 H new ATOM 0 HD11 ILE B 95 -17.640 -6.664 17.333 1.00 3.24 H new ATOM 0 HD12 ILE B 95 -15.901 -7.001 17.160 1.00 3.24 H new ATOM 0 HD13 ILE B 95 -16.610 -5.565 16.385 1.00 3.24 H new ATOM 3213 N ARG B 96 -16.297 -7.276 11.102 1.00 1.41 N ATOM 3214 CA ARG B 96 -16.981 -6.647 9.966 1.00 1.57 C ATOM 3215 C ARG B 96 -18.361 -6.069 10.315 1.00 1.97 C ATOM 3216 O ARG B 96 -19.377 -6.626 9.898 1.00 3.28 O ATOM 3217 CB ARG B 96 -16.961 -7.492 8.691 1.00 1.93 C ATOM 3218 CG ARG B 96 -17.336 -8.969 8.766 1.00 1.70 C ATOM 3219 CD ARG B 96 -18.811 -9.353 8.817 1.00 2.24 C ATOM 3220 NE ARG B 96 -19.258 -9.351 10.204 1.00 3.20 N ATOM 3221 CZ ARG B 96 -19.291 -10.397 11.045 1.00 4.00 C ATOM 3222 NH1 ARG B 96 -19.032 -11.647 10.641 1.00 4.08 N ATOM 3223 NH2 ARG B 96 -19.562 -10.161 12.330 1.00 5.65 N ATOM 0 H ARG B 96 -15.282 -7.236 11.014 1.00 1.41 H new ATOM 0 HA ARG B 96 -16.376 -5.774 9.724 1.00 1.57 H new ATOM 0 HB2 ARG B 96 -17.633 -7.020 7.975 1.00 1.93 H new ATOM 0 HB3 ARG B 96 -15.956 -7.430 8.273 1.00 1.93 H new ATOM 0 HG2 ARG B 96 -16.896 -9.465 7.901 1.00 1.70 H new ATOM 0 HG3 ARG B 96 -16.856 -9.386 9.651 1.00 1.70 H new ATOM 0 HD2 ARG B 96 -19.403 -8.650 8.231 1.00 2.24 H new ATOM 0 HD3 ARG B 96 -18.958 -10.339 8.376 1.00 2.24 H new ATOM 0 HE ARG B 96 -19.581 -8.458 10.576 1.00 3.20 H new ATOM 0 HH11 ARG B 96 -18.800 -11.830 9.665 1.00 4.08 H new ATOM 0 HH12 ARG B 96 -19.067 -12.417 11.310 1.00 4.08 H new ATOM 0 HH21 ARG B 96 -19.737 -9.208 12.648 1.00 5.65 H new ATOM 0 HH22 ARG B 96 -19.595 -10.934 12.995 1.00 5.65 H new