USER MOD reduce.3.24.130724 H: found=0, std=0, add=1443, rem=0, adj=49 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 -114:sc= 2.26 USER MOD Set 1.2: B 85 LYS NZ :NH3+ -148:sc= 1.09 (180deg=0) USER MOD Set 2.1: B 36 ASN : amide:sc= 1.15 K(o=0.85,f=-8.5!) USER MOD Set 2.2: B 67 GLN : amide:sc= -0.297 K(o=0.85,f=-9) USER MOD Set 3.1: A 55 SER OG : rot -103:sc= 2.29 USER MOD Set 3.2: A 85 LYS NZ :NH3+ 156:sc= 1.18 (180deg=-0.0245) USER MOD Set 4.1: A 45 GLN : amide:sc= 0.127 K(o=0.87,f=-3!) USER MOD Set 4.2: B 7 THR OG1 : rot 69:sc= 0.74 USER MOD Single : A 7 THR OG1 : rot 107:sc= 1.24 USER MOD Single : A 12 SER OG : rot 66:sc= 1.18 USER MOD Single : A 15 THR OG1 : rot 155:sc= 1.25 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 75:sc= 1.12 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 133:sc= 0.505 USER MOD Single : A 34 SER OG : rot -97:sc= 0.966 USER MOD Single : A 36 ASN :FLIP amide:sc= -0.0598 F(o=-0.83,f=-0.06) USER MOD Single : A 39 LYS NZ :NH3+ -178:sc= -0.415 (180deg=-0.518) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.15) USER MOD Single : A 48 HIS : no HE2:sc= 1.03 K(o=1,f=-4.7!) USER MOD Single : A 51 LYS NZ :NH3+ 168:sc= -0.587 (180deg=-0.814) USER MOD Single : A 59 LYS NZ :NH3+ -162:sc= -0.902 (180deg=-1.41!) USER MOD Single : A 60 MET CE :methyl -179:sc= -0.137 (180deg=-0.138) USER MOD Single : A 61 LYS NZ :NH3+ 127:sc= 2.34 (180deg=1.28) USER MOD Single : A 62 SER OG : rot 72:sc= 1.1 USER MOD Single : A 66 ASN : amide:sc= -0.261 X(o=-0.26,f=-0.26) USER MOD Single : A 67 GLN :FLIP amide:sc= -1.79! C(o=-3!,f=-1.8!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -158:sc= 2.53 (180deg=2.35) USER MOD Single : A 74 ASN : amide:sc= 0.599 K(o=0.6,f=-6.1!) USER MOD Single : A 76 TYR OH : rot 30:sc= -0.0122 USER MOD Single : A 89 LYS NZ :NH3+ -156:sc= 0.371 (180deg=-1.22) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -147:sc= 1.14 (180deg=-0.43!) USER MOD Single : A 94 LYS NZ :NH3+ -150:sc= 0.837 (180deg=-2.62!) USER MOD Single : B 12 SER OG : rot 137:sc= 0.65 USER MOD Single : B 15 THR OG1 : rot 75:sc= 1.24 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 76:sc= 0.688 USER MOD Single : B 22 THR OG1 : rot -50:sc= 0.708 USER MOD Single : B 30 LYS NZ :NH3+ -177:sc= 0.832 (180deg=0.504) USER MOD Single : B 32 SER OG : rot 78:sc= 0.0379 USER MOD Single : B 34 SER OG : rot 82:sc= 1.21 USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 THR OG1 : rot -21:sc= 0.322 USER MOD Single : B 44 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : B 45 GLN : amide:sc= -0.0104 K(o=-0.01,f=-2.6!) USER MOD Single : B 48 HIS : no HE2:sc= 0.508 K(o=0.51,f=-7.5!) USER MOD Single : B 51 LYS NZ :NH3+ -167:sc= -0.167 (180deg=-0.47) USER MOD Single : B 59 LYS NZ :NH3+ -175:sc= 1.27 (180deg=0.962) USER MOD Single : B 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 152:sc= 0.635! (180deg=-0.884!) USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 66 ASN : amide:sc= -0.731 X(o=-0.73,f=-0.26) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ -178:sc= 1.28 (180deg=1.25) USER MOD Single : B 74 ASN : amide:sc= 1.14 K(o=1.1,f=-0.15) USER MOD Single : B 76 TYR OH : rot 30:sc= -0.073 USER MOD Single : B 89 LYS NZ :NH3+ 164:sc= 1.96 (180deg=1.15) USER MOD Single : B 90 LYS NZ :NH3+ -164:sc= 1.18 (180deg=0.915) USER MOD Single : B 91 LYS NZ :NH3+ -166:sc= 0.895 (180deg=-0.15) USER MOD Single : B 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 -14.344 -13.528 8.440 1.00 1.22 N ATOM 41 CA GLU A 4 -14.657 -12.263 7.796 1.00 1.02 C ATOM 42 C GLU A 4 -14.501 -12.443 6.290 1.00 1.02 C ATOM 43 O GLU A 4 -13.652 -13.226 5.862 1.00 1.07 O ATOM 44 CB GLU A 4 -13.796 -11.111 8.354 1.00 1.07 C ATOM 45 CG GLU A 4 -12.272 -11.300 8.288 1.00 1.73 C ATOM 46 CD GLU A 4 -11.706 -12.328 9.258 1.00 3.51 C ATOM 47 OE1 GLU A 4 -12.365 -12.596 10.285 1.00 4.36 O ATOM 48 OE2 GLU A 4 -10.606 -12.846 8.988 1.00 4.57 O ATOM 0 HA GLU A 4 -15.687 -11.979 8.011 1.00 1.02 H new ATOM 0 HB2 GLU A 4 -14.051 -10.201 7.811 1.00 1.07 H new ATOM 0 HB3 GLU A 4 -14.075 -10.950 9.395 1.00 1.07 H new ATOM 0 HG2 GLU A 4 -12.001 -11.593 7.274 1.00 1.73 H new ATOM 0 HG3 GLU A 4 -11.794 -10.340 8.481 1.00 1.73 H new ATOM 55 N PRO A 5 -15.312 -11.763 5.465 1.00 1.11 N ATOM 56 CA PRO A 5 -15.313 -11.983 4.033 1.00 1.22 C ATOM 57 C PRO A 5 -14.204 -11.139 3.397 1.00 1.20 C ATOM 58 O PRO A 5 -14.466 -10.364 2.479 1.00 1.36 O ATOM 59 CB PRO A 5 -16.720 -11.564 3.597 1.00 1.46 C ATOM 60 CG PRO A 5 -17.029 -10.392 4.530 1.00 1.55 C ATOM 61 CD PRO A 5 -16.269 -10.721 5.817 1.00 1.27 C ATOM 0 HA PRO A 5 -15.109 -13.010 3.730 1.00 1.22 H new ATOM 0 HB2 PRO A 5 -16.746 -11.265 2.549 1.00 1.46 H new ATOM 0 HB3 PRO A 5 -17.438 -12.375 3.715 1.00 1.46 H new ATOM 0 HG2 PRO A 5 -16.697 -9.446 4.103 1.00 1.55 H new ATOM 0 HG3 PRO A 5 -18.100 -10.301 4.713 1.00 1.55 H new ATOM 0 HD2 PRO A 5 -15.760 -9.839 6.205 1.00 1.27 H new ATOM 0 HD3 PRO A 5 -16.950 -11.064 6.595 1.00 1.27 H new ATOM 69 N LEU A 6 -12.964 -11.285 3.879 1.00 1.09 N ATOM 70 CA LEU A 6 -11.899 -10.380 3.467 1.00 1.08 C ATOM 71 C LEU A 6 -11.332 -10.768 2.097 1.00 1.09 C ATOM 72 O LEU A 6 -10.874 -11.890 1.889 1.00 1.75 O ATOM 73 CB LEU A 6 -10.815 -10.267 4.558 1.00 1.13 C ATOM 74 CG LEU A 6 -9.764 -11.393 4.643 1.00 1.17 C ATOM 75 CD1 LEU A 6 -8.775 -11.059 5.765 1.00 2.34 C ATOM 76 CD2 LEU A 6 -10.344 -12.792 4.902 1.00 2.10 C ATOM 0 H LEU A 6 -12.682 -12.008 4.541 1.00 1.09 H new ATOM 0 HA LEU A 6 -12.324 -9.384 3.347 1.00 1.08 H new ATOM 0 HB2 LEU A 6 -10.287 -9.325 4.410 1.00 1.13 H new ATOM 0 HB3 LEU A 6 -11.316 -10.202 5.524 1.00 1.13 H new ATOM 0 HG LEU A 6 -9.286 -11.436 3.665 1.00 1.17 H new ATOM 0 HD11 LEU A 6 -8.026 -11.847 5.836 1.00 2.34 H new ATOM 0 HD12 LEU A 6 -8.284 -10.111 5.547 1.00 2.34 H new ATOM 0 HD13 LEU A 6 -9.311 -10.981 6.711 1.00 2.34 H new ATOM 0 HD21 LEU A 6 -9.533 -13.519 4.946 1.00 2.10 H new ATOM 0 HD22 LEU A 6 -10.884 -12.792 5.849 1.00 2.10 H new ATOM 0 HD23 LEU A 6 -11.027 -13.058 4.095 1.00 2.10 H new ATOM 88 N THR A 7 -11.390 -9.838 1.140 1.00 0.78 N ATOM 89 CA THR A 7 -10.867 -10.043 -0.205 1.00 0.76 C ATOM 90 C THR A 7 -9.367 -9.727 -0.230 1.00 0.73 C ATOM 91 O THR A 7 -8.858 -9.111 0.701 1.00 0.80 O ATOM 92 CB THR A 7 -11.642 -9.156 -1.199 1.00 0.86 C ATOM 93 OG1 THR A 7 -13.003 -9.062 -0.831 1.00 1.31 O ATOM 94 CG2 THR A 7 -11.580 -9.726 -2.620 1.00 1.17 C ATOM 0 H THR A 7 -11.805 -8.917 1.282 1.00 0.78 H new ATOM 0 HA THR A 7 -10.999 -11.084 -0.500 1.00 0.76 H new ATOM 0 HB THR A 7 -11.173 -8.172 -1.174 1.00 0.86 H new ATOM 0 HG1 THR A 7 -13.182 -8.171 -0.465 1.00 1.31 H new ATOM 0 HG21 THR A 7 -12.136 -9.077 -3.297 1.00 1.17 H new ATOM 0 HG22 THR A 7 -10.541 -9.783 -2.944 1.00 1.17 H new ATOM 0 HG23 THR A 7 -12.019 -10.724 -2.631 1.00 1.17 H new ATOM 102 N GLU A 8 -8.677 -10.096 -1.314 1.00 0.75 N ATOM 103 CA GLU A 8 -7.273 -9.781 -1.583 1.00 0.77 C ATOM 104 C GLU A 8 -6.926 -8.339 -1.186 1.00 0.77 C ATOM 105 O GLU A 8 -5.920 -8.068 -0.533 1.00 0.80 O ATOM 106 CB GLU A 8 -7.013 -9.958 -3.087 1.00 0.93 C ATOM 107 CG GLU A 8 -7.283 -11.374 -3.619 1.00 1.03 C ATOM 108 CD GLU A 8 -7.288 -11.376 -5.143 1.00 1.83 C ATOM 109 OE1 GLU A 8 -8.143 -10.646 -5.690 1.00 2.71 O ATOM 110 OE2 GLU A 8 -6.448 -12.092 -5.726 1.00 2.71 O ATOM 0 H GLU A 8 -9.102 -10.647 -2.060 1.00 0.75 H new ATOM 0 HA GLU A 8 -6.651 -10.453 -0.991 1.00 0.77 H new ATOM 0 HB2 GLU A 8 -7.637 -9.252 -3.636 1.00 0.93 H new ATOM 0 HB3 GLU A 8 -5.976 -9.697 -3.297 1.00 0.93 H new ATOM 0 HG2 GLU A 8 -6.520 -12.060 -3.250 1.00 1.03 H new ATOM 0 HG3 GLU A 8 -8.242 -11.733 -3.245 1.00 1.03 H new ATOM 117 N LEU A 9 -7.761 -7.395 -1.624 1.00 0.78 N ATOM 118 CA LEU A 9 -7.503 -5.981 -1.399 1.00 0.82 C ATOM 119 C LEU A 9 -7.511 -5.690 0.099 1.00 0.84 C ATOM 120 O LEU A 9 -6.517 -5.177 0.612 1.00 0.89 O ATOM 121 CB LEU A 9 -8.521 -5.118 -2.156 1.00 0.87 C ATOM 122 CG LEU A 9 -8.010 -4.750 -3.552 1.00 0.99 C ATOM 123 CD1 LEU A 9 -7.817 -5.964 -4.459 1.00 1.72 C ATOM 124 CD2 LEU A 9 -8.839 -3.671 -4.242 1.00 2.55 C ATOM 0 H LEU A 9 -8.621 -7.590 -2.137 1.00 0.78 H new ATOM 0 HA LEU A 9 -6.517 -5.726 -1.788 1.00 0.82 H new ATOM 0 HB2 LEU A 9 -9.465 -5.657 -2.242 1.00 0.87 H new ATOM 0 HB3 LEU A 9 -8.723 -4.209 -1.589 1.00 0.87 H new ATOM 0 HG LEU A 9 -7.024 -4.320 -3.375 1.00 0.99 H new ATOM 0 HD11 LEU A 9 -7.454 -5.636 -5.433 1.00 1.72 H new ATOM 0 HD12 LEU A 9 -7.091 -6.642 -4.010 1.00 1.72 H new ATOM 0 HD13 LEU A 9 -8.769 -6.481 -4.582 1.00 1.72 H new ATOM 0 HD21 LEU A 9 -8.418 -3.462 -5.226 1.00 2.55 H new ATOM 0 HD22 LEU A 9 -9.867 -4.017 -4.353 1.00 2.55 H new ATOM 0 HD23 LEU A 9 -8.825 -2.762 -3.641 1.00 2.55 H new ATOM 136 N GLU A 10 -8.612 -6.040 0.786 1.00 0.81 N ATOM 137 CA GLU A 10 -8.665 -5.964 2.249 1.00 0.84 C ATOM 138 C GLU A 10 -7.398 -6.593 2.825 1.00 0.71 C ATOM 139 O GLU A 10 -6.590 -5.885 3.420 1.00 0.67 O ATOM 140 CB GLU A 10 -9.922 -6.632 2.852 1.00 1.05 C ATOM 141 CG GLU A 10 -11.155 -5.723 2.792 1.00 1.41 C ATOM 142 CD GLU A 10 -12.306 -6.099 3.735 1.00 2.39 C ATOM 143 OE1 GLU A 10 -12.226 -7.190 4.331 1.00 3.26 O ATOM 144 OE2 GLU A 10 -13.261 -5.288 3.839 1.00 3.41 O ATOM 0 H GLU A 10 -9.471 -6.376 0.351 1.00 0.81 H new ATOM 0 HA GLU A 10 -8.727 -4.910 2.521 1.00 0.84 H new ATOM 0 HB2 GLU A 10 -10.130 -7.558 2.316 1.00 1.05 H new ATOM 0 HB3 GLU A 10 -9.724 -6.902 3.889 1.00 1.05 H new ATOM 0 HG2 GLU A 10 -10.843 -4.703 3.018 1.00 1.41 H new ATOM 0 HG3 GLU A 10 -11.533 -5.722 1.770 1.00 1.41 H new ATOM 151 N GLU A 11 -7.186 -7.886 2.566 1.00 0.76 N ATOM 152 CA GLU A 11 -6.032 -8.642 3.041 1.00 0.75 C ATOM 153 C GLU A 11 -4.743 -7.829 2.913 1.00 0.67 C ATOM 154 O GLU A 11 -3.976 -7.733 3.870 1.00 0.69 O ATOM 155 CB GLU A 11 -5.955 -9.994 2.310 1.00 0.80 C ATOM 156 CG GLU A 11 -4.727 -10.837 2.695 1.00 1.21 C ATOM 157 CD GLU A 11 -3.460 -10.401 1.961 1.00 2.93 C ATOM 158 OE1 GLU A 11 -3.493 -10.451 0.713 1.00 3.61 O ATOM 159 OE2 GLU A 11 -2.499 -10.003 2.655 1.00 4.20 O ATOM 0 H GLU A 11 -7.829 -8.446 2.007 1.00 0.76 H new ATOM 0 HA GLU A 11 -6.155 -8.848 4.104 1.00 0.75 H new ATOM 0 HB2 GLU A 11 -6.858 -10.565 2.525 1.00 0.80 H new ATOM 0 HB3 GLU A 11 -5.939 -9.815 1.235 1.00 0.80 H new ATOM 0 HG2 GLU A 11 -4.563 -10.763 3.770 1.00 1.21 H new ATOM 0 HG3 GLU A 11 -4.927 -11.885 2.474 1.00 1.21 H new ATOM 166 N SER A 12 -4.508 -7.191 1.766 1.00 0.67 N ATOM 167 CA SER A 12 -3.227 -6.540 1.557 1.00 0.65 C ATOM 168 C SER A 12 -3.042 -5.400 2.561 1.00 0.59 C ATOM 169 O SER A 12 -1.961 -5.193 3.123 1.00 0.63 O ATOM 170 CB SER A 12 -3.128 -6.030 0.116 1.00 0.73 C ATOM 171 OG SER A 12 -3.346 -7.067 -0.824 1.00 1.75 O ATOM 0 H SER A 12 -5.169 -7.115 0.993 1.00 0.67 H new ATOM 0 HA SER A 12 -2.427 -7.263 1.719 1.00 0.65 H new ATOM 0 HB2 SER A 12 -3.860 -5.238 -0.040 1.00 0.73 H new ATOM 0 HB3 SER A 12 -2.144 -5.592 -0.048 1.00 0.73 H new ATOM 0 HG SER A 12 -4.269 -7.387 -0.750 1.00 1.75 H new ATOM 177 N ILE A 13 -4.131 -4.664 2.787 1.00 0.56 N ATOM 178 CA ILE A 13 -4.177 -3.545 3.706 1.00 0.53 C ATOM 179 C ILE A 13 -4.020 -4.079 5.130 1.00 0.51 C ATOM 180 O ILE A 13 -3.198 -3.557 5.887 1.00 0.53 O ATOM 181 CB ILE A 13 -5.486 -2.768 3.476 1.00 0.58 C ATOM 182 CG1 ILE A 13 -5.510 -2.214 2.041 1.00 0.75 C ATOM 183 CG2 ILE A 13 -5.746 -1.617 4.462 1.00 0.61 C ATOM 184 CD1 ILE A 13 -6.940 -2.036 1.574 1.00 0.71 C ATOM 0 H ILE A 13 -5.021 -4.840 2.322 1.00 0.56 H new ATOM 0 HA ILE A 13 -3.361 -2.842 3.538 1.00 0.53 H new ATOM 0 HB ILE A 13 -6.283 -3.491 3.646 1.00 0.58 H new ATOM 0 HG12 ILE A 13 -4.986 -1.259 2.003 1.00 0.75 H new ATOM 0 HG13 ILE A 13 -4.983 -2.894 1.372 1.00 0.75 H new ATOM 0 HG21 ILE A 13 -6.691 -1.133 4.216 1.00 0.61 H new ATOM 0 HG22 ILE A 13 -5.794 -2.011 5.477 1.00 0.61 H new ATOM 0 HG23 ILE A 13 -4.937 -0.889 4.393 1.00 0.61 H new ATOM 0 HD11 ILE A 13 -6.944 -1.643 0.557 1.00 0.71 H new ATOM 0 HD12 ILE A 13 -7.452 -2.998 1.594 1.00 0.71 H new ATOM 0 HD13 ILE A 13 -7.454 -1.338 2.235 1.00 0.71 H new ATOM 196 N GLU A 14 -4.775 -5.129 5.474 1.00 0.52 N ATOM 197 CA GLU A 14 -4.690 -5.829 6.752 1.00 0.61 C ATOM 198 C GLU A 14 -3.231 -6.162 7.059 1.00 0.59 C ATOM 199 O GLU A 14 -2.724 -5.876 8.141 1.00 0.63 O ATOM 200 CB GLU A 14 -5.515 -7.122 6.722 1.00 0.89 C ATOM 201 CG GLU A 14 -6.998 -6.866 6.446 1.00 1.56 C ATOM 202 CD GLU A 14 -7.696 -6.314 7.672 1.00 3.09 C ATOM 203 OE1 GLU A 14 -7.916 -7.132 8.590 1.00 3.60 O ATOM 204 OE2 GLU A 14 -7.958 -5.090 7.686 1.00 4.35 O ATOM 0 H GLU A 14 -5.480 -5.523 4.851 1.00 0.52 H new ATOM 0 HA GLU A 14 -5.092 -5.178 7.529 1.00 0.61 H new ATOM 0 HB2 GLU A 14 -5.116 -7.786 5.955 1.00 0.89 H new ATOM 0 HB3 GLU A 14 -5.410 -7.638 7.676 1.00 0.89 H new ATOM 0 HG2 GLU A 14 -7.101 -6.164 5.619 1.00 1.56 H new ATOM 0 HG3 GLU A 14 -7.479 -7.794 6.138 1.00 1.56 H new ATOM 211 N THR A 15 -2.548 -6.757 6.087 1.00 0.60 N ATOM 212 CA THR A 15 -1.158 -7.151 6.201 1.00 0.63 C ATOM 213 C THR A 15 -0.273 -5.930 6.460 1.00 0.60 C ATOM 214 O THR A 15 0.541 -5.959 7.380 1.00 0.68 O ATOM 215 CB THR A 15 -0.758 -7.995 4.983 1.00 0.68 C ATOM 216 OG1 THR A 15 -1.587 -9.141 4.989 1.00 0.80 O ATOM 217 CG2 THR A 15 0.701 -8.453 5.073 1.00 0.76 C ATOM 0 H THR A 15 -2.959 -6.981 5.181 1.00 0.60 H new ATOM 0 HA THR A 15 -1.010 -7.793 7.069 1.00 0.63 H new ATOM 0 HB THR A 15 -0.870 -7.402 4.075 1.00 0.68 H new ATOM 0 HG1 THR A 15 -1.662 -9.496 4.078 1.00 0.80 H new ATOM 0 HG21 THR A 15 0.950 -9.048 4.195 1.00 0.76 H new ATOM 0 HG22 THR A 15 1.354 -7.581 5.118 1.00 0.76 H new ATOM 0 HG23 THR A 15 0.838 -9.056 5.971 1.00 0.76 H new ATOM 225 N VAL A 16 -0.428 -4.827 5.719 1.00 0.53 N ATOM 226 CA VAL A 16 0.325 -3.619 6.033 1.00 0.52 C ATOM 227 C VAL A 16 0.080 -3.189 7.487 1.00 0.53 C ATOM 228 O VAL A 16 1.028 -2.994 8.250 1.00 0.58 O ATOM 229 CB VAL A 16 -0.009 -2.506 5.028 1.00 0.50 C ATOM 230 CG1 VAL A 16 0.515 -1.163 5.534 1.00 0.53 C ATOM 231 CG2 VAL A 16 0.619 -2.797 3.661 1.00 0.56 C ATOM 0 H VAL A 16 -1.054 -4.750 4.917 1.00 0.53 H new ATOM 0 HA VAL A 16 1.391 -3.829 5.941 1.00 0.52 H new ATOM 0 HB VAL A 16 -1.093 -2.467 4.924 1.00 0.50 H new ATOM 0 HG11 VAL A 16 0.272 -0.383 4.813 1.00 0.53 H new ATOM 0 HG12 VAL A 16 0.051 -0.929 6.492 1.00 0.53 H new ATOM 0 HG13 VAL A 16 1.596 -1.218 5.658 1.00 0.53 H new ATOM 0 HG21 VAL A 16 0.368 -1.995 2.967 1.00 0.56 H new ATOM 0 HG22 VAL A 16 1.702 -2.862 3.765 1.00 0.56 H new ATOM 0 HG23 VAL A 16 0.234 -3.742 3.278 1.00 0.56 H new ATOM 241 N VAL A 17 -1.183 -3.029 7.891 1.00 0.56 N ATOM 242 CA VAL A 17 -1.457 -2.540 9.238 1.00 0.66 C ATOM 243 C VAL A 17 -0.938 -3.506 10.310 1.00 0.75 C ATOM 244 O VAL A 17 -0.381 -3.068 11.318 1.00 0.87 O ATOM 245 CB VAL A 17 -2.921 -2.107 9.432 1.00 0.71 C ATOM 246 CG1 VAL A 17 -3.266 -0.966 8.463 1.00 0.70 C ATOM 247 CG2 VAL A 17 -3.914 -3.255 9.251 1.00 0.70 C ATOM 0 H VAL A 17 -2.007 -3.225 7.322 1.00 0.56 H new ATOM 0 HA VAL A 17 -0.886 -1.621 9.370 1.00 0.66 H new ATOM 0 HB VAL A 17 -3.012 -1.766 10.463 1.00 0.71 H new ATOM 0 HG11 VAL A 17 -4.304 -0.667 8.608 1.00 0.70 H new ATOM 0 HG12 VAL A 17 -2.613 -0.115 8.656 1.00 0.70 H new ATOM 0 HG13 VAL A 17 -3.126 -1.306 7.437 1.00 0.70 H new ATOM 0 HG21 VAL A 17 -4.929 -2.886 9.401 1.00 0.70 H new ATOM 0 HG22 VAL A 17 -3.821 -3.662 8.244 1.00 0.70 H new ATOM 0 HG23 VAL A 17 -3.702 -4.038 9.979 1.00 0.70 H new ATOM 257 N THR A 18 -1.061 -4.817 10.092 1.00 0.76 N ATOM 258 CA THR A 18 -0.502 -5.799 11.011 1.00 0.89 C ATOM 259 C THR A 18 1.021 -5.656 11.048 1.00 0.85 C ATOM 260 O THR A 18 1.609 -5.720 12.125 1.00 0.93 O ATOM 261 CB THR A 18 -0.997 -7.230 10.706 1.00 1.00 C ATOM 262 OG1 THR A 18 -1.311 -7.875 11.924 1.00 1.49 O ATOM 263 CG2 THR A 18 0.010 -8.115 9.962 1.00 1.16 C ATOM 0 H THR A 18 -1.543 -5.218 9.287 1.00 0.76 H new ATOM 0 HA THR A 18 -0.867 -5.600 12.019 1.00 0.89 H new ATOM 0 HB THR A 18 -1.859 -7.108 10.051 1.00 1.00 H new ATOM 0 HG1 THR A 18 -1.628 -8.784 11.741 1.00 1.49 H new ATOM 0 HG21 THR A 18 -0.426 -9.099 9.793 1.00 1.16 H new ATOM 0 HG22 THR A 18 0.258 -7.658 9.004 1.00 1.16 H new ATOM 0 HG23 THR A 18 0.916 -8.217 10.560 1.00 1.16 H new ATOM 271 N THR A 19 1.664 -5.412 9.901 1.00 0.76 N ATOM 272 CA THR A 19 3.106 -5.217 9.836 1.00 0.79 C ATOM 273 C THR A 19 3.544 -4.045 10.723 1.00 0.72 C ATOM 274 O THR A 19 4.550 -4.160 11.421 1.00 0.90 O ATOM 275 CB THR A 19 3.553 -5.079 8.375 1.00 0.85 C ATOM 276 OG1 THR A 19 3.235 -6.261 7.676 1.00 1.32 O ATOM 277 CG2 THR A 19 5.060 -4.865 8.241 1.00 0.99 C ATOM 0 H THR A 19 1.196 -5.345 8.997 1.00 0.76 H new ATOM 0 HA THR A 19 3.610 -6.096 10.238 1.00 0.79 H new ATOM 0 HB THR A 19 3.036 -4.210 7.969 1.00 0.85 H new ATOM 0 HG1 THR A 19 2.271 -6.287 7.499 1.00 1.32 H new ATOM 0 HG21 THR A 19 5.322 -4.774 7.187 1.00 0.99 H new ATOM 0 HG22 THR A 19 5.346 -3.954 8.766 1.00 0.99 H new ATOM 0 HG23 THR A 19 5.588 -5.715 8.674 1.00 0.99 H new ATOM 285 N PHE A 20 2.784 -2.941 10.761 1.00 0.64 N ATOM 286 CA PHE A 20 3.056 -1.890 11.745 1.00 0.70 C ATOM 287 C PHE A 20 3.051 -2.451 13.169 1.00 0.82 C ATOM 288 O PHE A 20 3.829 -2.009 14.013 1.00 0.94 O ATOM 289 CB PHE A 20 2.035 -0.746 11.688 1.00 0.75 C ATOM 290 CG PHE A 20 1.987 0.052 10.403 1.00 0.73 C ATOM 291 CD1 PHE A 20 3.172 0.554 9.835 1.00 1.37 C ATOM 292 CD2 PHE A 20 0.744 0.441 9.871 1.00 1.78 C ATOM 293 CE1 PHE A 20 3.115 1.341 8.676 1.00 1.27 C ATOM 294 CE2 PHE A 20 0.688 1.172 8.674 1.00 1.97 C ATOM 295 CZ PHE A 20 1.877 1.617 8.075 1.00 0.98 C ATOM 0 H PHE A 20 1.997 -2.757 10.139 1.00 0.64 H new ATOM 0 HA PHE A 20 4.041 -1.500 11.489 1.00 0.70 H new ATOM 0 HB2 PHE A 20 1.044 -1.164 11.868 1.00 0.75 H new ATOM 0 HB3 PHE A 20 2.245 -0.060 12.508 1.00 0.75 H new ATOM 0 HD1 PHE A 20 4.126 0.333 10.292 1.00 1.37 H new ATOM 0 HD2 PHE A 20 -0.169 0.177 10.384 1.00 1.78 H new ATOM 0 HE1 PHE A 20 4.024 1.735 8.246 1.00 1.27 H new ATOM 0 HE2 PHE A 20 -0.265 1.391 8.216 1.00 1.97 H new ATOM 0 HZ PHE A 20 1.839 2.173 7.150 1.00 0.98 H new ATOM 305 N PHE A 21 2.142 -3.388 13.455 1.00 0.88 N ATOM 306 CA PHE A 21 2.017 -3.959 14.782 1.00 1.03 C ATOM 307 C PHE A 21 3.208 -4.867 15.090 1.00 1.07 C ATOM 308 O PHE A 21 3.902 -4.665 16.085 1.00 1.31 O ATOM 309 CB PHE A 21 0.667 -4.665 14.964 1.00 1.09 C ATOM 310 CG PHE A 21 0.242 -4.792 16.418 1.00 1.27 C ATOM 311 CD1 PHE A 21 0.849 -5.750 17.254 1.00 2.39 C ATOM 312 CD2 PHE A 21 -0.788 -3.977 16.928 1.00 2.23 C ATOM 313 CE1 PHE A 21 0.387 -5.933 18.569 1.00 2.85 C ATOM 314 CE2 PHE A 21 -1.266 -4.177 18.235 1.00 2.65 C ATOM 315 CZ PHE A 21 -0.697 -5.174 19.046 1.00 2.48 C ATOM 0 H PHE A 21 1.482 -3.763 12.774 1.00 0.88 H new ATOM 0 HA PHE A 21 2.035 -3.149 15.512 1.00 1.03 H new ATOM 0 HB2 PHE A 21 -0.099 -4.115 14.416 1.00 1.09 H new ATOM 0 HB3 PHE A 21 0.723 -5.660 14.522 1.00 1.09 H new ATOM 0 HD1 PHE A 21 1.671 -6.345 16.884 1.00 2.39 H new ATOM 0 HD2 PHE A 21 -1.211 -3.197 16.313 1.00 2.23 H new ATOM 0 HE1 PHE A 21 0.864 -6.657 19.213 1.00 2.85 H new ATOM 0 HE2 PHE A 21 -2.070 -3.565 18.616 1.00 2.65 H new ATOM 0 HZ PHE A 21 -1.092 -5.357 20.034 1.00 2.48 H new ATOM 325 N THR A 22 3.466 -5.861 14.234 1.00 1.03 N ATOM 326 CA THR A 22 4.565 -6.803 14.425 1.00 1.30 C ATOM 327 C THR A 22 5.858 -6.174 13.884 1.00 1.70 C ATOM 328 O THR A 22 6.525 -6.694 12.993 1.00 2.14 O ATOM 329 CB THR A 22 4.190 -8.198 13.876 1.00 1.67 C ATOM 330 OG1 THR A 22 5.137 -9.171 14.270 1.00 2.99 O ATOM 331 CG2 THR A 22 3.984 -8.294 12.360 1.00 2.38 C ATOM 0 H THR A 22 2.917 -6.032 13.391 1.00 1.03 H new ATOM 0 HA THR A 22 4.759 -6.994 15.480 1.00 1.30 H new ATOM 0 HB THR A 22 3.214 -8.389 14.321 1.00 1.67 H new ATOM 0 HG1 THR A 22 4.876 -10.045 13.911 1.00 2.99 H new ATOM 0 HG21 THR A 22 3.725 -9.318 12.092 1.00 2.38 H new ATOM 0 HG22 THR A 22 3.177 -7.625 12.059 1.00 2.38 H new ATOM 0 HG23 THR A 22 4.903 -8.007 11.849 1.00 2.38 H new ATOM 478 N ASP A 31 2.318 4.587 15.046 1.00 1.06 N ATOM 479 CA ASP A 31 1.622 4.407 13.773 1.00 0.99 C ATOM 480 C ASP A 31 2.607 3.663 12.875 1.00 1.12 C ATOM 481 O ASP A 31 2.617 2.436 12.838 1.00 1.69 O ATOM 482 CB ASP A 31 1.204 5.733 13.099 1.00 1.22 C ATOM 483 CG ASP A 31 -0.175 6.236 13.487 1.00 1.59 C ATOM 484 OD1 ASP A 31 -1.119 5.424 13.442 1.00 2.32 O ATOM 485 OD2 ASP A 31 -0.260 7.453 13.771 1.00 2.75 O ATOM 0 HA ASP A 31 0.691 3.866 13.941 1.00 0.99 H new ATOM 0 HB2 ASP A 31 1.938 6.499 13.349 1.00 1.22 H new ATOM 0 HB3 ASP A 31 1.236 5.601 12.018 1.00 1.22 H new ATOM 490 N SER A 32 3.475 4.429 12.211 1.00 1.03 N ATOM 491 CA SER A 32 4.681 3.952 11.557 1.00 0.96 C ATOM 492 C SER A 32 5.867 4.478 12.374 1.00 0.87 C ATOM 493 O SER A 32 5.725 4.734 13.570 1.00 1.00 O ATOM 494 CB SER A 32 4.675 4.424 10.095 1.00 1.07 C ATOM 495 OG SER A 32 5.786 3.927 9.370 1.00 1.78 O ATOM 0 H SER A 32 3.346 5.436 12.114 1.00 1.03 H new ATOM 0 HA SER A 32 4.748 2.865 11.522 1.00 0.96 H new ATOM 0 HB2 SER A 32 3.753 4.098 9.613 1.00 1.07 H new ATOM 0 HB3 SER A 32 4.682 5.514 10.066 1.00 1.07 H new ATOM 0 HG SER A 32 5.481 3.566 8.511 1.00 1.78 H new ATOM 501 N LEU A 33 7.026 4.627 11.730 1.00 0.85 N ATOM 502 CA LEU A 33 8.274 5.050 12.345 1.00 0.83 C ATOM 503 C LEU A 33 8.611 6.460 11.863 1.00 0.76 C ATOM 504 O LEU A 33 7.815 7.107 11.184 1.00 0.94 O ATOM 505 CB LEU A 33 9.416 4.083 11.975 1.00 1.05 C ATOM 506 CG LEU A 33 9.163 2.584 12.201 1.00 1.12 C ATOM 507 CD1 LEU A 33 8.597 2.261 13.587 1.00 1.50 C ATOM 508 CD2 LEU A 33 8.300 1.984 11.087 1.00 1.04 C ATOM 0 H LEU A 33 7.119 4.449 10.730 1.00 0.85 H new ATOM 0 HA LEU A 33 8.160 5.045 13.429 1.00 0.83 H new ATOM 0 HB2 LEU A 33 9.657 4.231 10.922 1.00 1.05 H new ATOM 0 HB3 LEU A 33 10.299 4.367 12.547 1.00 1.05 H new ATOM 0 HG LEU A 33 10.143 2.109 12.162 1.00 1.12 H new ATOM 0 HD11 LEU A 33 8.444 1.186 13.676 1.00 1.50 H new ATOM 0 HD12 LEU A 33 9.299 2.592 14.353 1.00 1.50 H new ATOM 0 HD13 LEU A 33 7.645 2.775 13.720 1.00 1.50 H new ATOM 0 HD21 LEU A 33 8.142 0.923 11.281 1.00 1.04 H new ATOM 0 HD22 LEU A 33 7.337 2.495 11.057 1.00 1.04 H new ATOM 0 HD23 LEU A 33 8.805 2.107 10.129 1.00 1.04 H new ATOM 520 N SER A 34 9.821 6.918 12.177 1.00 0.68 N ATOM 521 CA SER A 34 10.356 8.155 11.634 1.00 0.64 C ATOM 522 C SER A 34 10.703 7.969 10.158 1.00 0.61 C ATOM 523 O SER A 34 11.019 6.856 9.732 1.00 0.65 O ATOM 524 CB SER A 34 11.598 8.577 12.423 1.00 0.71 C ATOM 525 OG SER A 34 11.243 8.866 13.757 1.00 1.42 O ATOM 0 H SER A 34 10.455 6.438 12.816 1.00 0.68 H new ATOM 0 HA SER A 34 9.603 8.938 11.721 1.00 0.64 H new ATOM 0 HB2 SER A 34 12.342 7.781 12.400 1.00 0.71 H new ATOM 0 HB3 SER A 34 12.053 9.453 11.961 1.00 0.71 H new ATOM 0 HG SER A 34 11.120 9.833 13.861 1.00 1.42 H new ATOM 531 N VAL A 35 10.683 9.055 9.381 1.00 0.65 N ATOM 532 CA VAL A 35 11.034 8.996 7.961 1.00 0.67 C ATOM 533 C VAL A 35 12.395 8.326 7.741 1.00 0.73 C ATOM 534 O VAL A 35 12.541 7.474 6.862 1.00 0.77 O ATOM 535 CB VAL A 35 11.052 10.379 7.287 1.00 0.92 C ATOM 536 CG1 VAL A 35 10.759 10.196 5.792 1.00 1.00 C ATOM 537 CG2 VAL A 35 10.026 11.372 7.845 1.00 1.07 C ATOM 0 H VAL A 35 10.427 9.985 9.712 1.00 0.65 H new ATOM 0 HA VAL A 35 10.248 8.398 7.499 1.00 0.67 H new ATOM 0 HB VAL A 35 12.039 10.798 7.482 1.00 0.92 H new ATOM 0 HG11 VAL A 35 10.768 11.168 5.298 1.00 1.00 H new ATOM 0 HG12 VAL A 35 11.521 9.556 5.348 1.00 1.00 H new ATOM 0 HG13 VAL A 35 9.780 9.734 5.667 1.00 1.00 H new ATOM 0 HG21 VAL A 35 10.109 12.319 7.312 1.00 1.07 H new ATOM 0 HG22 VAL A 35 9.022 10.969 7.714 1.00 1.07 H new ATOM 0 HG23 VAL A 35 10.217 11.534 8.906 1.00 1.07 H new ATOM 547 N ASN A 36 13.406 8.755 8.508 1.00 0.90 N ATOM 548 CA ASN A 36 14.781 8.317 8.283 1.00 1.06 C ATOM 549 C ASN A 36 14.858 6.790 8.346 1.00 0.88 C ATOM 550 O ASN A 36 15.289 6.135 7.396 1.00 0.80 O ATOM 551 CB ASN A 36 15.744 8.913 9.323 1.00 1.53 C ATOM 552 CG ASN A 36 17.157 8.925 8.757 1.00 2.34 C ATOM 553 OD1 ASN A 36 17.441 9.868 7.860 1.00 3.27 O flip ATOM 554 ND2 ASN A 36 17.985 8.096 9.105 1.00 2.52 N flip ATOM 0 H ASN A 36 13.293 9.404 9.287 1.00 0.90 H new ATOM 0 HA ASN A 36 15.081 8.669 7.296 1.00 1.06 H new ATOM 0 HB2 ASN A 36 15.436 9.926 9.582 1.00 1.53 H new ATOM 0 HB3 ASN A 36 15.713 8.326 10.241 1.00 1.53 H new ATOM 0 HD21 ASN A 36 17.737 7.386 9.794 1.00 2.52 H new ATOM 0 HD22 ASN A 36 18.924 8.114 8.706 1.00 2.52 H new ATOM 561 N GLU A 37 14.390 6.265 9.484 1.00 0.94 N ATOM 562 CA GLU A 37 14.242 4.852 9.795 1.00 0.95 C ATOM 563 C GLU A 37 13.471 4.176 8.664 1.00 0.77 C ATOM 564 O GLU A 37 13.975 3.253 8.028 1.00 0.77 O ATOM 565 CB GLU A 37 13.532 4.750 11.160 1.00 1.13 C ATOM 566 CG GLU A 37 13.023 3.356 11.563 1.00 1.74 C ATOM 567 CD GLU A 37 14.112 2.319 11.808 1.00 2.88 C ATOM 568 OE1 GLU A 37 15.300 2.696 11.735 1.00 3.67 O ATOM 569 OE2 GLU A 37 13.721 1.166 12.088 1.00 3.86 O ATOM 0 H GLU A 37 14.088 6.859 10.256 1.00 0.94 H new ATOM 0 HA GLU A 37 15.200 4.339 9.872 1.00 0.95 H new ATOM 0 HB2 GLU A 37 14.220 5.098 11.930 1.00 1.13 H new ATOM 0 HB3 GLU A 37 12.684 5.435 11.156 1.00 1.13 H new ATOM 0 HG2 GLU A 37 12.424 3.452 12.468 1.00 1.74 H new ATOM 0 HG3 GLU A 37 12.361 2.987 10.780 1.00 1.74 H new ATOM 576 N PHE A 38 12.261 4.669 8.385 1.00 0.69 N ATOM 577 CA PHE A 38 11.410 4.160 7.319 1.00 0.60 C ATOM 578 C PHE A 38 12.176 3.919 6.015 1.00 0.55 C ATOM 579 O PHE A 38 12.074 2.823 5.466 1.00 0.60 O ATOM 580 CB PHE A 38 10.210 5.082 7.110 1.00 0.57 C ATOM 581 CG PHE A 38 9.500 4.874 5.788 1.00 0.61 C ATOM 582 CD1 PHE A 38 8.589 3.814 5.636 1.00 2.09 C ATOM 583 CD2 PHE A 38 9.849 5.662 4.673 1.00 2.11 C ATOM 584 CE1 PHE A 38 7.998 3.571 4.385 1.00 2.12 C ATOM 585 CE2 PHE A 38 9.291 5.390 3.415 1.00 2.21 C ATOM 586 CZ PHE A 38 8.354 4.354 3.274 1.00 0.99 C ATOM 0 H PHE A 38 11.845 5.443 8.903 1.00 0.69 H new ATOM 0 HA PHE A 38 11.043 3.183 7.633 1.00 0.60 H new ATOM 0 HB2 PHE A 38 9.499 4.927 7.922 1.00 0.57 H new ATOM 0 HB3 PHE A 38 10.544 6.118 7.173 1.00 0.57 H new ATOM 0 HD1 PHE A 38 8.344 3.187 6.480 1.00 2.09 H new ATOM 0 HD2 PHE A 38 10.548 6.477 4.787 1.00 2.11 H new ATOM 0 HE1 PHE A 38 7.269 2.781 4.277 1.00 2.12 H new ATOM 0 HE2 PHE A 38 9.582 5.977 2.556 1.00 2.21 H new ATOM 0 HZ PHE A 38 7.906 4.159 2.311 1.00 0.99 H new ATOM 596 N LYS A 39 12.933 4.911 5.517 1.00 0.55 N ATOM 597 CA LYS A 39 13.695 4.730 4.281 1.00 0.58 C ATOM 598 C LYS A 39 14.484 3.417 4.352 1.00 0.68 C ATOM 599 O LYS A 39 14.439 2.596 3.437 1.00 0.69 O ATOM 600 CB LYS A 39 14.652 5.909 4.011 1.00 0.88 C ATOM 601 CG LYS A 39 15.389 5.691 2.672 1.00 1.05 C ATOM 602 CD LYS A 39 16.631 6.563 2.436 1.00 1.58 C ATOM 603 CE LYS A 39 17.915 6.121 3.167 1.00 2.52 C ATOM 604 NZ LYS A 39 17.953 6.465 4.606 1.00 3.57 N ATOM 0 H LYS A 39 13.030 5.831 5.947 1.00 0.55 H new ATOM 0 HA LYS A 39 12.986 4.693 3.454 1.00 0.58 H new ATOM 0 HB2 LYS A 39 14.092 6.844 3.980 1.00 0.88 H new ATOM 0 HB3 LYS A 39 15.374 5.997 4.823 1.00 0.88 H new ATOM 0 HG2 LYS A 39 15.688 4.644 2.611 1.00 1.05 H new ATOM 0 HG3 LYS A 39 14.685 5.869 1.859 1.00 1.05 H new ATOM 0 HD2 LYS A 39 16.836 6.587 1.366 1.00 1.58 H new ATOM 0 HD3 LYS A 39 16.397 7.584 2.739 1.00 1.58 H new ATOM 0 HE2 LYS A 39 18.024 5.042 3.062 1.00 2.52 H new ATOM 0 HE3 LYS A 39 18.773 6.578 2.675 1.00 2.52 H new ATOM 0 HZ1 LYS A 39 18.862 6.163 5.011 1.00 3.57 H new ATOM 0 HZ2 LYS A 39 17.848 7.493 4.720 1.00 3.57 H new ATOM 0 HZ3 LYS A 39 17.176 5.981 5.099 1.00 3.57 H new ATOM 618 N GLU A 40 15.243 3.235 5.429 1.00 0.85 N ATOM 619 CA GLU A 40 16.136 2.097 5.560 1.00 1.03 C ATOM 620 C GLU A 40 15.357 0.809 5.842 1.00 1.03 C ATOM 621 O GLU A 40 15.709 -0.248 5.327 1.00 1.21 O ATOM 622 CB GLU A 40 17.265 2.424 6.546 1.00 1.24 C ATOM 623 CG GLU A 40 17.816 3.801 6.138 1.00 1.21 C ATOM 624 CD GLU A 40 19.263 4.082 6.502 1.00 1.75 C ATOM 625 OE1 GLU A 40 19.878 3.265 7.213 1.00 2.67 O ATOM 626 OE2 GLU A 40 19.713 5.142 6.005 1.00 2.10 O ATOM 0 H GLU A 40 15.254 3.869 6.228 1.00 0.85 H new ATOM 0 HA GLU A 40 16.635 1.897 4.612 1.00 1.03 H new ATOM 0 HB2 GLU A 40 16.892 2.443 7.570 1.00 1.24 H new ATOM 0 HB3 GLU A 40 18.047 1.666 6.506 1.00 1.24 H new ATOM 0 HG2 GLU A 40 17.708 3.906 5.058 1.00 1.21 H new ATOM 0 HG3 GLU A 40 17.193 4.568 6.597 1.00 1.21 H new ATOM 633 N LEU A 41 14.240 0.883 6.566 1.00 0.93 N ATOM 634 CA LEU A 41 13.337 -0.253 6.663 1.00 1.01 C ATOM 635 C LEU A 41 12.891 -0.705 5.273 1.00 0.91 C ATOM 636 O LEU A 41 12.937 -1.899 4.981 1.00 1.13 O ATOM 637 CB LEU A 41 12.117 0.060 7.532 1.00 1.11 C ATOM 638 CG LEU A 41 12.446 0.210 9.023 1.00 1.14 C ATOM 639 CD1 LEU A 41 11.180 0.693 9.731 1.00 2.76 C ATOM 640 CD2 LEU A 41 12.899 -1.118 9.648 1.00 2.08 C ATOM 0 H LEU A 41 13.945 1.709 7.086 1.00 0.93 H new ATOM 0 HA LEU A 41 13.887 -1.063 7.142 1.00 1.01 H new ATOM 0 HB2 LEU A 41 11.655 0.981 7.176 1.00 1.11 H new ATOM 0 HB3 LEU A 41 11.381 -0.734 7.409 1.00 1.11 H new ATOM 0 HG LEU A 41 13.266 0.919 9.135 1.00 1.14 H new ATOM 0 HD11 LEU A 41 11.381 0.810 10.796 1.00 2.76 H new ATOM 0 HD12 LEU A 41 10.872 1.651 9.312 1.00 2.76 H new ATOM 0 HD13 LEU A 41 10.383 -0.037 9.590 1.00 2.76 H new ATOM 0 HD21 LEU A 41 13.122 -0.966 10.704 1.00 2.08 H new ATOM 0 HD22 LEU A 41 12.104 -1.857 9.548 1.00 2.08 H new ATOM 0 HD23 LEU A 41 13.793 -1.475 9.136 1.00 2.08 H new ATOM 652 N VAL A 42 12.458 0.211 4.403 1.00 0.69 N ATOM 653 CA VAL A 42 12.016 -0.220 3.084 1.00 0.69 C ATOM 654 C VAL A 42 13.219 -0.700 2.269 1.00 0.65 C ATOM 655 O VAL A 42 13.150 -1.760 1.665 1.00 0.75 O ATOM 656 CB VAL A 42 11.084 0.783 2.378 1.00 0.69 C ATOM 657 CG1 VAL A 42 9.839 1.020 3.235 1.00 1.38 C ATOM 658 CG2 VAL A 42 11.726 2.130 2.046 1.00 1.33 C ATOM 0 H VAL A 42 12.406 1.214 4.580 1.00 0.69 H new ATOM 0 HA VAL A 42 11.357 -1.081 3.200 1.00 0.69 H new ATOM 0 HB VAL A 42 10.832 0.324 1.422 1.00 0.69 H new ATOM 0 HG11 VAL A 42 9.182 1.730 2.733 1.00 1.38 H new ATOM 0 HG12 VAL A 42 9.312 0.077 3.380 1.00 1.38 H new ATOM 0 HG13 VAL A 42 10.135 1.422 4.204 1.00 1.38 H new ATOM 0 HG21 VAL A 42 10.995 2.769 1.551 1.00 1.33 H new ATOM 0 HG22 VAL A 42 12.064 2.609 2.965 1.00 1.33 H new ATOM 0 HG23 VAL A 42 12.578 1.974 1.384 1.00 1.33 H new ATOM 668 N THR A 43 14.356 -0.002 2.304 1.00 0.58 N ATOM 669 CA THR A 43 15.555 -0.473 1.607 1.00 0.65 C ATOM 670 C THR A 43 15.896 -1.918 2.016 1.00 0.77 C ATOM 671 O THR A 43 16.205 -2.745 1.163 1.00 0.92 O ATOM 672 CB THR A 43 16.724 0.531 1.748 1.00 0.79 C ATOM 673 OG1 THR A 43 17.338 0.739 0.494 1.00 1.12 O ATOM 674 CG2 THR A 43 17.829 0.128 2.728 1.00 1.21 C ATOM 0 H THR A 43 14.472 0.881 2.801 1.00 0.58 H new ATOM 0 HA THR A 43 15.352 -0.514 0.537 1.00 0.65 H new ATOM 0 HB THR A 43 16.253 1.429 2.147 1.00 0.79 H new ATOM 0 HG1 THR A 43 18.075 1.377 0.593 1.00 1.12 H new ATOM 0 HG21 THR A 43 18.597 0.902 2.749 1.00 1.21 H new ATOM 0 HG22 THR A 43 17.405 0.010 3.725 1.00 1.21 H new ATOM 0 HG23 THR A 43 18.273 -0.815 2.408 1.00 1.21 H new ATOM 682 N GLN A 44 15.801 -2.233 3.314 1.00 0.84 N ATOM 683 CA GLN A 44 16.026 -3.578 3.828 1.00 1.06 C ATOM 684 C GLN A 44 14.949 -4.560 3.350 1.00 1.11 C ATOM 685 O GLN A 44 15.285 -5.668 2.943 1.00 1.22 O ATOM 686 CB GLN A 44 16.102 -3.545 5.361 1.00 1.25 C ATOM 687 CG GLN A 44 17.425 -2.958 5.875 1.00 1.33 C ATOM 688 CD GLN A 44 18.623 -3.846 5.551 1.00 2.62 C ATOM 689 OE1 GLN A 44 19.538 -3.436 4.845 1.00 4.23 O ATOM 690 NE2 GLN A 44 18.630 -5.076 6.058 1.00 3.36 N ATOM 0 H GLN A 44 15.564 -1.553 4.037 1.00 0.84 H new ATOM 0 HA GLN A 44 16.977 -3.936 3.434 1.00 1.06 H new ATOM 0 HB2 GLN A 44 15.272 -2.955 5.749 1.00 1.25 H new ATOM 0 HB3 GLN A 44 15.983 -4.557 5.749 1.00 1.25 H new ATOM 0 HG2 GLN A 44 17.577 -1.973 5.434 1.00 1.33 H new ATOM 0 HG3 GLN A 44 17.362 -2.818 6.954 1.00 1.33 H new ATOM 0 HE21 GLN A 44 17.856 -5.391 6.642 1.00 3.36 H new ATOM 0 HE22 GLN A 44 19.410 -5.704 5.862 1.00 3.36 H new ATOM 699 N GLN A 45 13.666 -4.189 3.425 1.00 1.10 N ATOM 700 CA GLN A 45 12.565 -5.086 3.067 1.00 1.20 C ATOM 701 C GLN A 45 12.420 -5.257 1.550 1.00 1.26 C ATOM 702 O GLN A 45 11.842 -6.251 1.117 1.00 1.51 O ATOM 703 CB GLN A 45 11.243 -4.590 3.670 1.00 1.14 C ATOM 704 CG GLN A 45 11.083 -4.753 5.191 1.00 1.12 C ATOM 705 CD GLN A 45 12.343 -5.119 5.977 1.00 1.56 C ATOM 706 OE1 GLN A 45 12.670 -6.287 6.131 1.00 3.11 O ATOM 707 NE2 GLN A 45 13.047 -4.136 6.521 1.00 1.53 N ATOM 0 H GLN A 45 13.364 -3.265 3.734 1.00 1.10 H new ATOM 0 HA GLN A 45 12.807 -6.063 3.485 1.00 1.20 H new ATOM 0 HB2 GLN A 45 11.131 -3.534 3.426 1.00 1.14 H new ATOM 0 HB3 GLN A 45 10.425 -5.119 3.181 1.00 1.14 H new ATOM 0 HG2 GLN A 45 10.689 -3.820 5.594 1.00 1.12 H new ATOM 0 HG3 GLN A 45 10.332 -5.522 5.374 1.00 1.12 H new ATOM 0 HE21 GLN A 45 12.761 -3.167 6.383 1.00 1.53 H new ATOM 0 HE22 GLN A 45 13.875 -4.349 7.078 1.00 1.53 H new ATOM 716 N LEU A 46 12.937 -4.317 0.750 1.00 1.09 N ATOM 717 CA LEU A 46 12.880 -4.327 -0.710 1.00 1.22 C ATOM 718 C LEU A 46 14.275 -4.641 -1.302 1.00 1.25 C ATOM 719 O LEU A 46 14.761 -3.860 -2.118 1.00 1.44 O ATOM 720 CB LEU A 46 12.463 -2.910 -1.188 1.00 1.17 C ATOM 721 CG LEU A 46 11.043 -2.364 -0.923 1.00 1.46 C ATOM 722 CD1 LEU A 46 10.127 -2.738 -2.088 1.00 2.71 C ATOM 723 CD2 LEU A 46 10.370 -2.750 0.396 1.00 2.45 C ATOM 0 H LEU A 46 13.424 -3.500 1.119 1.00 1.09 H new ATOM 0 HA LEU A 46 12.169 -5.086 -1.037 1.00 1.22 H new ATOM 0 HB2 LEU A 46 13.164 -2.204 -0.742 1.00 1.17 H new ATOM 0 HB3 LEU A 46 12.621 -2.878 -2.266 1.00 1.17 H new ATOM 0 HG LEU A 46 11.194 -1.288 -0.832 1.00 1.46 H new ATOM 0 HD11 LEU A 46 9.125 -2.353 -1.901 1.00 2.71 H new ATOM 0 HD12 LEU A 46 10.516 -2.306 -3.010 1.00 2.71 H new ATOM 0 HD13 LEU A 46 10.086 -3.823 -2.185 1.00 2.71 H new ATOM 0 HD21 LEU A 46 9.380 -2.296 0.446 1.00 2.45 H new ATOM 0 HD22 LEU A 46 10.276 -3.834 0.453 1.00 2.45 H new ATOM 0 HD23 LEU A 46 10.974 -2.394 1.231 1.00 2.45 H new ATOM 735 N PRO A 47 14.953 -5.765 -1.009 1.00 1.17 N ATOM 736 CA PRO A 47 16.350 -5.926 -1.407 1.00 1.16 C ATOM 737 C PRO A 47 16.497 -6.505 -2.822 1.00 1.03 C ATOM 738 O PRO A 47 17.560 -7.019 -3.163 1.00 1.11 O ATOM 739 CB PRO A 47 16.926 -6.881 -0.362 1.00 1.28 C ATOM 740 CG PRO A 47 15.754 -7.831 -0.131 1.00 1.20 C ATOM 741 CD PRO A 47 14.555 -6.884 -0.168 1.00 1.17 C ATOM 0 HA PRO A 47 16.869 -4.968 -1.444 1.00 1.16 H new ATOM 0 HB2 PRO A 47 17.810 -7.403 -0.728 1.00 1.28 H new ATOM 0 HB3 PRO A 47 17.218 -6.361 0.551 1.00 1.28 H new ATOM 0 HG2 PRO A 47 15.692 -8.596 -0.905 1.00 1.20 H new ATOM 0 HG3 PRO A 47 15.833 -8.350 0.824 1.00 1.20 H new ATOM 0 HD2 PRO A 47 13.676 -7.384 -0.574 1.00 1.17 H new ATOM 0 HD3 PRO A 47 14.294 -6.545 0.835 1.00 1.17 H new ATOM 749 N HIS A 48 15.444 -6.469 -3.645 1.00 1.10 N ATOM 750 CA HIS A 48 15.404 -7.236 -4.881 1.00 1.18 C ATOM 751 C HIS A 48 16.430 -6.729 -5.901 1.00 1.42 C ATOM 752 O HIS A 48 17.077 -7.540 -6.558 1.00 2.60 O ATOM 753 CB HIS A 48 13.975 -7.259 -5.437 1.00 1.48 C ATOM 754 CG HIS A 48 13.824 -8.087 -6.692 1.00 2.38 C ATOM 755 ND1 HIS A 48 13.506 -9.424 -6.740 1.00 3.40 N ATOM 756 CD2 HIS A 48 14.022 -7.669 -7.981 1.00 3.14 C ATOM 757 CE1 HIS A 48 13.513 -9.798 -8.030 1.00 4.33 C ATOM 758 NE2 HIS A 48 13.830 -8.764 -8.827 1.00 4.20 N ATOM 0 H HIS A 48 14.607 -5.912 -3.471 1.00 1.10 H new ATOM 0 HA HIS A 48 15.691 -8.265 -4.663 1.00 1.18 H new ATOM 0 HB2 HIS A 48 13.303 -7.649 -4.672 1.00 1.48 H new ATOM 0 HB3 HIS A 48 13.660 -6.237 -5.647 1.00 1.48 H new ATOM 0 HD1 HIS A 48 13.302 -10.023 -5.940 1.00 3.40 H new ATOM 0 HD2 HIS A 48 14.281 -6.667 -8.290 1.00 3.14 H new ATOM 0 HE1 HIS A 48 13.293 -10.796 -8.380 1.00 4.33 H new ATOM 766 N LEU A 49 16.566 -5.404 -6.058 1.00 1.00 N ATOM 767 CA LEU A 49 17.501 -4.810 -7.022 1.00 1.09 C ATOM 768 C LEU A 49 17.920 -3.376 -6.677 1.00 1.12 C ATOM 769 O LEU A 49 19.060 -3.018 -6.954 1.00 1.48 O ATOM 770 CB LEU A 49 16.934 -4.864 -8.458 1.00 1.19 C ATOM 771 CG LEU A 49 17.583 -5.949 -9.339 1.00 1.80 C ATOM 772 CD1 LEU A 49 16.776 -6.151 -10.626 1.00 3.02 C ATOM 773 CD2 LEU A 49 19.025 -5.579 -9.712 1.00 2.32 C ATOM 0 H LEU A 49 16.034 -4.718 -5.523 1.00 1.00 H new ATOM 0 HA LEU A 49 18.402 -5.421 -6.963 1.00 1.09 H new ATOM 0 HB2 LEU A 49 15.860 -5.043 -8.409 1.00 1.19 H new ATOM 0 HB3 LEU A 49 17.074 -3.892 -8.931 1.00 1.19 H new ATOM 0 HG LEU A 49 17.592 -6.872 -8.759 1.00 1.80 H new ATOM 0 HD11 LEU A 49 17.250 -6.921 -11.235 1.00 3.02 H new ATOM 0 HD12 LEU A 49 15.761 -6.460 -10.375 1.00 3.02 H new ATOM 0 HD13 LEU A 49 16.742 -5.216 -11.185 1.00 3.02 H new ATOM 0 HD21 LEU A 49 19.453 -6.365 -10.333 1.00 2.32 H new ATOM 0 HD22 LEU A 49 19.028 -4.639 -10.263 1.00 2.32 H new ATOM 0 HD23 LEU A 49 19.619 -5.470 -8.805 1.00 2.32 H new ATOM 785 N LEU A 50 17.009 -2.550 -6.147 1.00 0.99 N ATOM 786 CA LEU A 50 17.223 -1.121 -5.908 1.00 1.18 C ATOM 787 C LEU A 50 17.499 -0.394 -7.233 1.00 1.29 C ATOM 788 O LEU A 50 18.628 -0.004 -7.516 1.00 1.84 O ATOM 789 CB LEU A 50 18.307 -0.846 -4.843 1.00 1.78 C ATOM 790 CG LEU A 50 17.861 -1.023 -3.380 1.00 2.00 C ATOM 791 CD1 LEU A 50 16.863 0.058 -2.945 1.00 2.70 C ATOM 792 CD2 LEU A 50 17.282 -2.410 -3.096 1.00 2.32 C ATOM 0 H LEU A 50 16.081 -2.867 -5.866 1.00 0.99 H new ATOM 0 HA LEU A 50 16.303 -0.715 -5.488 1.00 1.18 H new ATOM 0 HB2 LEU A 50 19.151 -1.510 -5.030 1.00 1.78 H new ATOM 0 HB3 LEU A 50 18.669 0.174 -4.973 1.00 1.78 H new ATOM 0 HG LEU A 50 18.770 -0.916 -2.788 1.00 2.00 H new ATOM 0 HD11 LEU A 50 16.577 -0.108 -1.906 1.00 2.70 H new ATOM 0 HD12 LEU A 50 17.325 1.040 -3.042 1.00 2.70 H new ATOM 0 HD13 LEU A 50 15.977 0.011 -3.577 1.00 2.70 H new ATOM 0 HD21 LEU A 50 16.986 -2.473 -2.049 1.00 2.32 H new ATOM 0 HD22 LEU A 50 16.411 -2.578 -3.730 1.00 2.32 H new ATOM 0 HD23 LEU A 50 18.036 -3.169 -3.306 1.00 2.32 H new ATOM 804 N LYS A 51 16.458 -0.246 -8.065 1.00 1.11 N ATOM 805 CA LYS A 51 16.516 0.581 -9.278 1.00 1.44 C ATOM 806 C LYS A 51 16.264 2.037 -8.971 1.00 1.30 C ATOM 807 O LYS A 51 17.019 2.927 -9.354 1.00 1.32 O ATOM 808 CB LYS A 51 15.744 0.124 -10.522 1.00 1.63 C ATOM 809 CG LYS A 51 14.360 -0.404 -10.208 1.00 1.49 C ATOM 810 CD LYS A 51 14.474 -1.845 -9.758 1.00 3.51 C ATOM 811 CE LYS A 51 14.432 -2.958 -10.813 1.00 4.49 C ATOM 812 NZ LYS A 51 15.586 -2.927 -11.731 1.00 4.65 N ATOM 0 H LYS A 51 15.554 -0.695 -7.916 1.00 1.11 H new ATOM 0 HA LYS A 51 17.548 0.430 -9.595 1.00 1.44 H new ATOM 0 HB2 LYS A 51 15.657 0.961 -11.215 1.00 1.63 H new ATOM 0 HB3 LYS A 51 16.315 -0.653 -11.030 1.00 1.63 H new ATOM 0 HG2 LYS A 51 13.895 0.199 -9.428 1.00 1.49 H new ATOM 0 HG3 LYS A 51 13.721 -0.334 -11.088 1.00 1.49 H new ATOM 0 HD2 LYS A 51 15.411 -1.946 -9.210 1.00 3.51 H new ATOM 0 HD3 LYS A 51 13.668 -2.033 -9.049 1.00 3.51 H new ATOM 0 HE2 LYS A 51 14.400 -3.925 -10.311 1.00 4.49 H new ATOM 0 HE3 LYS A 51 13.512 -2.868 -11.391 1.00 4.49 H new ATOM 0 HZ1 LYS A 51 15.613 -3.807 -12.284 1.00 4.65 H new ATOM 0 HZ2 LYS A 51 15.495 -2.116 -12.375 1.00 4.65 H new ATOM 0 HZ3 LYS A 51 16.464 -2.836 -11.182 1.00 4.65 H new ATOM 826 N ASP A 52 15.137 2.191 -8.300 1.00 1.23 N ATOM 827 CA ASP A 52 14.766 3.295 -7.448 1.00 1.19 C ATOM 828 C ASP A 52 15.342 4.648 -7.867 1.00 1.05 C ATOM 829 O ASP A 52 16.418 5.049 -7.430 1.00 1.40 O ATOM 830 CB ASP A 52 15.045 2.909 -5.981 1.00 1.71 C ATOM 831 CG ASP A 52 14.459 1.552 -5.571 1.00 2.16 C ATOM 832 OD1 ASP A 52 14.534 0.610 -6.397 1.00 3.17 O ATOM 833 OD2 ASP A 52 13.939 1.467 -4.442 1.00 2.65 O ATOM 0 H ASP A 52 14.401 1.487 -8.344 1.00 1.23 H new ATOM 0 HA ASP A 52 13.696 3.466 -7.562 1.00 1.19 H new ATOM 0 HB2 ASP A 52 16.123 2.892 -5.819 1.00 1.71 H new ATOM 0 HB3 ASP A 52 14.637 3.681 -5.329 1.00 1.71 H new ATOM 838 N VAL A 53 14.584 5.362 -8.706 1.00 0.95 N ATOM 839 CA VAL A 53 14.957 6.640 -9.287 1.00 1.13 C ATOM 840 C VAL A 53 13.725 7.555 -9.328 1.00 1.07 C ATOM 841 O VAL A 53 12.587 7.085 -9.251 1.00 1.46 O ATOM 842 CB VAL A 53 15.595 6.386 -10.668 1.00 1.58 C ATOM 843 CG1 VAL A 53 14.628 5.705 -11.649 1.00 1.90 C ATOM 844 CG2 VAL A 53 16.161 7.663 -11.302 1.00 2.45 C ATOM 0 H VAL A 53 13.661 5.047 -9.005 1.00 0.95 H new ATOM 0 HA VAL A 53 15.703 7.158 -8.684 1.00 1.13 H new ATOM 0 HB VAL A 53 16.424 5.705 -10.476 1.00 1.58 H new ATOM 0 HG11 VAL A 53 15.129 5.550 -12.605 1.00 1.90 H new ATOM 0 HG12 VAL A 53 14.315 4.743 -11.243 1.00 1.90 H new ATOM 0 HG13 VAL A 53 13.753 6.338 -11.796 1.00 1.90 H new ATOM 0 HG21 VAL A 53 16.597 7.425 -12.272 1.00 2.45 H new ATOM 0 HG22 VAL A 53 15.360 8.390 -11.433 1.00 2.45 H new ATOM 0 HG23 VAL A 53 16.929 8.083 -10.652 1.00 2.45 H new ATOM 854 N GLY A 54 13.945 8.869 -9.427 1.00 1.23 N ATOM 855 CA GLY A 54 12.893 9.865 -9.587 1.00 1.30 C ATOM 856 C GLY A 54 12.093 10.042 -8.299 1.00 1.22 C ATOM 857 O GLY A 54 12.322 10.984 -7.545 1.00 1.34 O ATOM 0 H GLY A 54 14.881 9.274 -9.397 1.00 1.23 H new ATOM 0 HA2 GLY A 54 13.334 10.819 -9.877 1.00 1.30 H new ATOM 0 HA3 GLY A 54 12.225 9.564 -10.394 1.00 1.30 H new ATOM 861 N SER A 55 11.184 9.109 -8.013 1.00 1.13 N ATOM 862 CA SER A 55 10.482 9.141 -6.736 1.00 1.14 C ATOM 863 C SER A 55 11.466 8.905 -5.591 1.00 0.99 C ATOM 864 O SER A 55 11.272 9.426 -4.497 1.00 1.05 O ATOM 865 CB SER A 55 9.332 8.145 -6.690 1.00 1.27 C ATOM 866 OG SER A 55 8.206 8.649 -7.382 1.00 1.67 O ATOM 0 H SER A 55 10.923 8.342 -8.632 1.00 1.13 H new ATOM 0 HA SER A 55 10.041 10.131 -6.621 1.00 1.14 H new ATOM 0 HB2 SER A 55 9.645 7.200 -7.134 1.00 1.27 H new ATOM 0 HB3 SER A 55 9.065 7.937 -5.654 1.00 1.27 H new ATOM 0 HG SER A 55 7.539 8.963 -6.736 1.00 1.67 H new ATOM 872 N LEU A 56 12.554 8.170 -5.852 1.00 0.86 N ATOM 873 CA LEU A 56 13.676 8.069 -4.930 1.00 0.81 C ATOM 874 C LEU A 56 14.056 9.459 -4.439 1.00 0.91 C ATOM 875 O LEU A 56 14.101 9.691 -3.235 1.00 0.96 O ATOM 876 CB LEU A 56 14.855 7.389 -5.634 1.00 0.83 C ATOM 877 CG LEU A 56 16.163 7.269 -4.828 1.00 1.40 C ATOM 878 CD1 LEU A 56 16.976 8.565 -4.711 1.00 1.57 C ATOM 879 CD2 LEU A 56 15.941 6.629 -3.453 1.00 2.77 C ATOM 0 H LEU A 56 12.675 7.631 -6.710 1.00 0.86 H new ATOM 0 HA LEU A 56 13.398 7.465 -4.066 1.00 0.81 H new ATOM 0 HB2 LEU A 56 14.544 6.387 -5.929 1.00 0.83 H new ATOM 0 HB3 LEU A 56 15.068 7.940 -6.550 1.00 0.83 H new ATOM 0 HG LEU A 56 16.779 6.598 -5.426 1.00 1.40 H new ATOM 0 HD11 LEU A 56 17.877 8.378 -4.127 1.00 1.57 H new ATOM 0 HD12 LEU A 56 17.255 8.911 -5.706 1.00 1.57 H new ATOM 0 HD13 LEU A 56 16.375 9.328 -4.217 1.00 1.57 H new ATOM 0 HD21 LEU A 56 16.891 6.566 -2.923 1.00 2.77 H new ATOM 0 HD22 LEU A 56 15.244 7.237 -2.877 1.00 2.77 H new ATOM 0 HD23 LEU A 56 15.530 5.628 -3.580 1.00 2.77 H new ATOM 891 N ASP A 57 14.320 10.373 -5.376 1.00 1.04 N ATOM 892 CA ASP A 57 14.755 11.723 -5.066 1.00 1.23 C ATOM 893 C ASP A 57 13.688 12.440 -4.230 1.00 1.25 C ATOM 894 O ASP A 57 13.973 12.892 -3.124 1.00 1.29 O ATOM 895 CB ASP A 57 15.100 12.466 -6.365 1.00 1.46 C ATOM 896 CG ASP A 57 15.243 13.963 -6.152 1.00 2.07 C ATOM 897 OD1 ASP A 57 15.817 14.367 -5.123 1.00 3.33 O ATOM 898 OD2 ASP A 57 14.720 14.709 -7.008 1.00 2.60 O ATOM 0 H ASP A 57 14.235 10.189 -6.376 1.00 1.04 H new ATOM 0 HA ASP A 57 15.662 11.698 -4.461 1.00 1.23 H new ATOM 0 HB2 ASP A 57 16.030 12.069 -6.772 1.00 1.46 H new ATOM 0 HB3 ASP A 57 14.322 12.279 -7.105 1.00 1.46 H new ATOM 903 N GLU A 58 12.446 12.500 -4.725 1.00 1.28 N ATOM 904 CA GLU A 58 11.321 13.086 -3.991 1.00 1.41 C ATOM 905 C GLU A 58 11.270 12.583 -2.541 1.00 1.28 C ATOM 906 O GLU A 58 11.177 13.362 -1.588 1.00 1.43 O ATOM 907 CB GLU A 58 10.006 12.812 -4.734 1.00 1.52 C ATOM 908 CG GLU A 58 9.957 13.514 -6.102 1.00 1.96 C ATOM 909 CD GLU A 58 9.837 15.029 -5.963 1.00 3.20 C ATOM 910 OE1 GLU A 58 8.688 15.500 -5.841 1.00 3.43 O ATOM 911 OE2 GLU A 58 10.897 15.695 -5.964 1.00 4.75 O ATOM 0 H GLU A 58 12.194 12.143 -5.647 1.00 1.28 H new ATOM 0 HA GLU A 58 11.467 14.165 -3.943 1.00 1.41 H new ATOM 0 HB2 GLU A 58 9.886 11.738 -4.874 1.00 1.52 H new ATOM 0 HB3 GLU A 58 9.168 13.149 -4.124 1.00 1.52 H new ATOM 0 HG2 GLU A 58 10.858 13.272 -6.666 1.00 1.96 H new ATOM 0 HG3 GLU A 58 9.111 13.134 -6.674 1.00 1.96 H new ATOM 918 N LYS A 59 11.351 11.268 -2.359 1.00 1.04 N ATOM 919 CA LYS A 59 11.301 10.659 -1.041 1.00 0.96 C ATOM 920 C LYS A 59 12.553 11.003 -0.223 1.00 0.98 C ATOM 921 O LYS A 59 12.463 11.274 0.973 1.00 1.15 O ATOM 922 CB LYS A 59 11.085 9.150 -1.213 1.00 0.84 C ATOM 923 CG LYS A 59 10.089 8.578 -0.205 1.00 0.91 C ATOM 924 CD LYS A 59 9.367 7.327 -0.733 1.00 0.82 C ATOM 925 CE LYS A 59 10.255 6.127 -1.058 1.00 0.81 C ATOM 926 NZ LYS A 59 11.016 6.327 -2.307 1.00 1.03 N ATOM 0 H LYS A 59 11.453 10.599 -3.122 1.00 1.04 H new ATOM 0 HA LYS A 59 10.465 11.060 -0.468 1.00 0.96 H new ATOM 0 HB2 LYS A 59 10.728 8.951 -2.223 1.00 0.84 H new ATOM 0 HB3 LYS A 59 12.040 8.636 -1.106 1.00 0.84 H new ATOM 0 HG2 LYS A 59 10.614 8.328 0.717 1.00 0.91 H new ATOM 0 HG3 LYS A 59 9.351 9.341 0.044 1.00 0.91 H new ATOM 0 HD2 LYS A 59 8.630 7.018 0.008 1.00 0.82 H new ATOM 0 HD3 LYS A 59 8.818 7.602 -1.634 1.00 0.82 H new ATOM 0 HE2 LYS A 59 10.948 5.955 -0.234 1.00 0.81 H new ATOM 0 HE3 LYS A 59 9.638 5.233 -1.148 1.00 0.81 H new ATOM 0 HZ1 LYS A 59 11.359 5.409 -2.655 1.00 1.03 H new ATOM 0 HZ2 LYS A 59 10.399 6.761 -3.024 1.00 1.03 H new ATOM 0 HZ3 LYS A 59 11.826 6.953 -2.123 1.00 1.03 H new ATOM 940 N MET A 60 13.725 11.008 -0.857 1.00 0.91 N ATOM 941 CA MET A 60 14.975 11.401 -0.227 1.00 0.96 C ATOM 942 C MET A 60 14.869 12.829 0.309 1.00 1.04 C ATOM 943 O MET A 60 15.202 13.052 1.467 1.00 1.09 O ATOM 944 CB MET A 60 16.151 11.210 -1.195 1.00 1.03 C ATOM 945 CG MET A 60 17.493 11.574 -0.546 1.00 1.18 C ATOM 946 SD MET A 60 18.968 11.231 -1.544 1.00 1.68 S ATOM 947 CE MET A 60 18.983 9.423 -1.529 1.00 3.46 C ATOM 0 H MET A 60 13.829 10.735 -1.834 1.00 0.91 H new ATOM 0 HA MET A 60 15.170 10.754 0.628 1.00 0.96 H new ATOM 0 HB2 MET A 60 16.180 10.173 -1.531 1.00 1.03 H new ATOM 0 HB3 MET A 60 15.997 11.828 -2.080 1.00 1.03 H new ATOM 0 HG2 MET A 60 17.481 12.636 -0.302 1.00 1.18 H new ATOM 0 HG3 MET A 60 17.579 11.031 0.395 1.00 1.18 H new ATOM 0 HE1 MET A 60 19.846 9.062 -2.089 1.00 3.46 H new ATOM 0 HE2 MET A 60 19.043 9.068 -0.500 1.00 3.46 H new ATOM 0 HE3 MET A 60 18.069 9.048 -1.989 1.00 3.46 H new ATOM 957 N LYS A 61 14.376 13.781 -0.490 1.00 1.09 N ATOM 958 CA LYS A 61 14.079 15.132 -0.015 1.00 1.16 C ATOM 959 C LYS A 61 13.132 15.055 1.183 1.00 1.23 C ATOM 960 O LYS A 61 13.366 15.663 2.225 1.00 1.30 O ATOM 961 CB LYS A 61 13.396 15.951 -1.112 1.00 1.28 C ATOM 962 CG LYS A 61 14.291 16.275 -2.313 1.00 2.21 C ATOM 963 CD LYS A 61 13.404 16.230 -3.560 1.00 1.87 C ATOM 964 CE LYS A 61 13.970 17.032 -4.733 1.00 2.42 C ATOM 965 NZ LYS A 61 13.310 16.657 -5.998 1.00 2.52 N ATOM 0 H LYS A 61 14.173 13.636 -1.479 1.00 1.09 H new ATOM 0 HA LYS A 61 15.018 15.609 0.266 1.00 1.16 H new ATOM 0 HB2 LYS A 61 12.521 15.405 -1.464 1.00 1.28 H new ATOM 0 HB3 LYS A 61 13.037 16.885 -0.680 1.00 1.28 H new ATOM 0 HG2 LYS A 61 14.747 17.259 -2.200 1.00 2.21 H new ATOM 0 HG3 LYS A 61 15.105 15.554 -2.393 1.00 2.21 H new ATOM 0 HD2 LYS A 61 13.273 15.192 -3.867 1.00 1.87 H new ATOM 0 HD3 LYS A 61 12.416 16.615 -3.309 1.00 1.87 H new ATOM 0 HE2 LYS A 61 13.833 18.098 -4.549 1.00 2.42 H new ATOM 0 HE3 LYS A 61 15.043 16.858 -4.813 1.00 2.42 H new ATOM 0 HZ1 LYS A 61 12.949 17.512 -6.468 1.00 2.52 H new ATOM 0 HZ2 LYS A 61 13.996 16.183 -6.620 1.00 2.52 H new ATOM 0 HZ3 LYS A 61 12.519 16.012 -5.799 1.00 2.52 H new ATOM 979 N SER A 62 12.045 14.295 1.020 1.00 1.25 N ATOM 980 CA SER A 62 11.080 14.091 2.097 1.00 1.38 C ATOM 981 C SER A 62 11.749 13.622 3.397 1.00 1.39 C ATOM 982 O SER A 62 11.331 14.045 4.474 1.00 1.54 O ATOM 983 CB SER A 62 9.940 13.157 1.677 1.00 1.42 C ATOM 984 OG SER A 62 9.332 13.611 0.483 1.00 1.59 O ATOM 0 H SER A 62 11.814 13.812 0.152 1.00 1.25 H new ATOM 0 HA SER A 62 10.637 15.065 2.304 1.00 1.38 H new ATOM 0 HB2 SER A 62 10.325 12.148 1.533 1.00 1.42 H new ATOM 0 HB3 SER A 62 9.196 13.104 2.472 1.00 1.42 H new ATOM 0 HG SER A 62 9.939 13.459 -0.271 1.00 1.59 H new ATOM 990 N LEU A 63 12.795 12.784 3.330 1.00 1.31 N ATOM 991 CA LEU A 63 13.637 12.576 4.505 1.00 1.37 C ATOM 992 C LEU A 63 14.382 13.874 4.838 1.00 1.26 C ATOM 993 O LEU A 63 14.240 14.398 5.937 1.00 1.31 O ATOM 994 CB LEU A 63 14.651 11.419 4.354 1.00 1.52 C ATOM 995 CG LEU A 63 14.206 9.986 4.642 1.00 1.98 C ATOM 996 CD1 LEU A 63 13.311 9.477 3.502 1.00 2.31 C ATOM 997 CD2 LEU A 63 15.527 9.218 4.761 1.00 3.08 C ATOM 0 H LEU A 63 13.068 12.257 2.500 1.00 1.31 H new ATOM 0 HA LEU A 63 12.967 12.291 5.316 1.00 1.37 H new ATOM 0 HB2 LEU A 63 15.026 11.445 3.331 1.00 1.52 H new ATOM 0 HB3 LEU A 63 15.495 11.637 5.009 1.00 1.52 H new ATOM 0 HG LEU A 63 13.603 9.875 5.543 1.00 1.98 H new ATOM 0 HD11 LEU A 63 12.998 8.455 3.714 1.00 2.31 H new ATOM 0 HD12 LEU A 63 12.432 10.116 3.417 1.00 2.31 H new ATOM 0 HD13 LEU A 63 13.868 9.499 2.565 1.00 2.31 H new ATOM 0 HD21 LEU A 63 15.320 8.168 4.969 1.00 3.08 H new ATOM 0 HD22 LEU A 63 16.081 9.300 3.826 1.00 3.08 H new ATOM 0 HD23 LEU A 63 16.121 9.639 5.573 1.00 3.08 H new ATOM 1009 N ASP A 64 15.218 14.367 3.925 1.00 1.20 N ATOM 1010 CA ASP A 64 16.171 15.451 4.153 1.00 1.24 C ATOM 1011 C ASP A 64 15.589 16.587 5.002 1.00 1.33 C ATOM 1012 O ASP A 64 16.202 17.004 5.985 1.00 1.44 O ATOM 1013 CB ASP A 64 16.668 15.982 2.807 1.00 1.17 C ATOM 1014 CG ASP A 64 17.711 17.070 3.010 1.00 1.31 C ATOM 1015 OD1 ASP A 64 18.877 16.691 3.249 1.00 2.27 O ATOM 1016 OD2 ASP A 64 17.318 18.252 2.917 1.00 2.01 O ATOM 0 H ASP A 64 15.251 14.008 2.971 1.00 1.20 H new ATOM 0 HA ASP A 64 17.006 15.042 4.722 1.00 1.24 H new ATOM 0 HB2 ASP A 64 17.095 15.166 2.224 1.00 1.17 H new ATOM 0 HB3 ASP A 64 15.829 16.378 2.234 1.00 1.17 H new ATOM 1021 N VAL A 65 14.380 17.036 4.655 1.00 1.33 N ATOM 1022 CA VAL A 65 13.763 18.183 5.318 1.00 1.47 C ATOM 1023 C VAL A 65 13.606 17.954 6.820 1.00 1.50 C ATOM 1024 O VAL A 65 14.053 18.765 7.627 1.00 1.66 O ATOM 1025 CB VAL A 65 12.430 18.585 4.655 1.00 1.53 C ATOM 1026 CG1 VAL A 65 12.697 18.945 3.199 1.00 2.35 C ATOM 1027 CG2 VAL A 65 11.330 17.513 4.681 1.00 2.83 C ATOM 0 H VAL A 65 13.810 16.621 3.918 1.00 1.33 H new ATOM 0 HA VAL A 65 14.444 19.025 5.193 1.00 1.47 H new ATOM 0 HB VAL A 65 12.055 19.422 5.245 1.00 1.53 H new ATOM 0 HG11 VAL A 65 11.762 19.231 2.718 1.00 2.35 H new ATOM 0 HG12 VAL A 65 13.399 19.778 3.153 1.00 2.35 H new ATOM 0 HG13 VAL A 65 13.122 18.084 2.683 1.00 2.35 H new ATOM 0 HG21 VAL A 65 10.436 17.897 4.190 1.00 2.83 H new ATOM 0 HG22 VAL A 65 11.678 16.622 4.158 1.00 2.83 H new ATOM 0 HG23 VAL A 65 11.095 17.258 5.714 1.00 2.83 H new ATOM 1037 N ASN A 66 12.924 16.868 7.190 1.00 1.40 N ATOM 1038 CA ASN A 66 12.584 16.579 8.588 1.00 1.39 C ATOM 1039 C ASN A 66 12.447 15.073 8.818 1.00 1.32 C ATOM 1040 O ASN A 66 11.421 14.593 9.298 1.00 1.33 O ATOM 1041 CB ASN A 66 11.281 17.293 8.997 1.00 1.43 C ATOM 1042 CG ASN A 66 11.396 18.813 9.054 1.00 1.54 C ATOM 1043 OD1 ASN A 66 11.813 19.372 10.062 1.00 2.35 O ATOM 1044 ND2 ASN A 66 10.985 19.504 7.991 1.00 2.08 N ATOM 0 H ASN A 66 12.591 16.164 6.531 1.00 1.40 H new ATOM 0 HA ASN A 66 13.398 16.954 9.209 1.00 1.39 H new ATOM 0 HB2 ASN A 66 10.495 17.025 8.291 1.00 1.43 H new ATOM 0 HB3 ASN A 66 10.970 16.926 9.975 1.00 1.43 H new ATOM 0 HD21 ASN A 66 11.013 20.524 8.004 1.00 2.08 H new ATOM 0 HD22 ASN A 66 10.643 19.013 7.165 1.00 2.08 H new ATOM 1051 N GLN A 67 13.506 14.322 8.522 1.00 1.30 N ATOM 1052 CA GLN A 67 13.504 12.871 8.534 1.00 1.24 C ATOM 1053 C GLN A 67 13.133 12.257 9.875 1.00 1.42 C ATOM 1054 O GLN A 67 12.641 11.130 9.939 1.00 1.51 O ATOM 1055 CB GLN A 67 14.851 12.298 8.093 1.00 1.24 C ATOM 1056 CG GLN A 67 16.059 12.748 8.950 1.00 1.48 C ATOM 1057 CD GLN A 67 16.409 14.234 8.890 1.00 1.79 C ATOM 1058 OE1 GLN A 67 16.310 14.839 7.712 1.00 3.50 O flip ATOM 1059 NE2 GLN A 67 16.754 14.833 9.901 1.00 2.18 N flip ATOM 0 H GLN A 67 14.408 14.721 8.262 1.00 1.30 H new ATOM 0 HA GLN A 67 12.725 12.601 7.821 1.00 1.24 H new ATOM 0 HB2 GLN A 67 14.792 11.210 8.116 1.00 1.24 H new ATOM 0 HB3 GLN A 67 15.031 12.586 7.057 1.00 1.24 H new ATOM 0 HG2 GLN A 67 15.860 12.484 9.989 1.00 1.48 H new ATOM 0 HG3 GLN A 67 16.933 12.177 8.638 1.00 1.48 H new ATOM 0 HE21 GLN A 67 16.820 14.337 10.790 1.00 2.18 H new ATOM 0 HE22 GLN A 67 16.976 15.828 9.854 1.00 2.18 H new ATOM 1068 N ASP A 68 13.453 12.978 10.944 1.00 1.59 N ATOM 1069 CA ASP A 68 13.095 12.583 12.293 1.00 1.78 C ATOM 1070 C ASP A 68 11.575 12.428 12.447 1.00 1.81 C ATOM 1071 O ASP A 68 11.104 11.566 13.189 1.00 2.18 O ATOM 1072 CB ASP A 68 13.650 13.633 13.258 1.00 2.00 C ATOM 1073 CG ASP A 68 13.207 13.359 14.686 1.00 2.97 C ATOM 1074 OD1 ASP A 68 13.864 12.513 15.327 1.00 4.33 O ATOM 1075 OD2 ASP A 68 12.226 14.011 15.102 1.00 3.48 O ATOM 0 H ASP A 68 13.970 13.856 10.894 1.00 1.59 H new ATOM 0 HA ASP A 68 13.527 11.608 12.519 1.00 1.78 H new ATOM 0 HB2 ASP A 68 14.739 13.637 13.207 1.00 2.00 H new ATOM 0 HB3 ASP A 68 13.313 14.624 12.954 1.00 2.00 H new ATOM 1080 N SER A 69 10.811 13.250 11.719 1.00 1.54 N ATOM 1081 CA SER A 69 9.367 13.338 11.858 1.00 1.50 C ATOM 1082 C SER A 69 8.691 11.981 11.652 1.00 1.56 C ATOM 1083 O SER A 69 9.117 11.169 10.825 1.00 2.66 O ATOM 1084 CB SER A 69 8.821 14.385 10.881 1.00 1.39 C ATOM 1085 OG SER A 69 7.455 14.655 11.137 1.00 2.17 O ATOM 0 H SER A 69 11.190 13.878 11.010 1.00 1.54 H new ATOM 0 HA SER A 69 9.137 13.648 12.877 1.00 1.50 H new ATOM 0 HB2 SER A 69 9.399 15.305 10.968 1.00 1.39 H new ATOM 0 HB3 SER A 69 8.939 14.029 9.858 1.00 1.39 H new ATOM 0 HG SER A 69 7.130 15.327 10.502 1.00 2.17 H new ATOM 1091 N GLU A 70 7.613 11.755 12.404 1.00 1.03 N ATOM 1092 CA GLU A 70 6.824 10.543 12.326 1.00 1.02 C ATOM 1093 C GLU A 70 6.119 10.438 10.985 1.00 0.93 C ATOM 1094 O GLU A 70 5.445 11.372 10.536 1.00 1.25 O ATOM 1095 CB GLU A 70 5.766 10.531 13.429 1.00 1.18 C ATOM 1096 CG GLU A 70 6.410 10.194 14.770 1.00 1.77 C ATOM 1097 CD GLU A 70 5.516 10.563 15.949 1.00 2.37 C ATOM 1098 OE1 GLU A 70 4.355 10.955 15.694 1.00 2.77 O ATOM 1099 OE2 GLU A 70 5.981 10.389 17.093 1.00 3.27 O ATOM 0 H GLU A 70 7.265 12.423 13.092 1.00 1.03 H new ATOM 0 HA GLU A 70 7.503 9.699 12.445 1.00 1.02 H new ATOM 0 HB2 GLU A 70 5.278 11.504 13.486 1.00 1.18 H new ATOM 0 HB3 GLU A 70 4.993 9.799 13.194 1.00 1.18 H new ATOM 0 HG2 GLU A 70 6.633 9.128 14.806 1.00 1.77 H new ATOM 0 HG3 GLU A 70 7.360 10.722 14.858 1.00 1.77 H new ATOM 1106 N LEU A 71 6.196 9.243 10.418 1.00 0.86 N ATOM 1107 CA LEU A 71 5.278 8.794 9.393 1.00 0.92 C ATOM 1108 C LEU A 71 4.056 8.175 10.063 1.00 0.87 C ATOM 1109 O LEU A 71 4.114 7.668 11.184 1.00 0.98 O ATOM 1110 CB LEU A 71 5.952 7.793 8.454 1.00 1.20 C ATOM 1111 CG LEU A 71 7.153 8.361 7.692 1.00 1.25 C ATOM 1112 CD1 LEU A 71 7.643 7.250 6.766 1.00 1.87 C ATOM 1113 CD2 LEU A 71 6.792 9.589 6.850 1.00 2.71 C ATOM 0 H LEU A 71 6.907 8.554 10.662 1.00 0.86 H new ATOM 0 HA LEU A 71 4.967 9.646 8.788 1.00 0.92 H new ATOM 0 HB2 LEU A 71 6.279 6.930 9.034 1.00 1.20 H new ATOM 0 HB3 LEU A 71 5.216 7.433 7.735 1.00 1.20 H new ATOM 0 HG LEU A 71 7.911 8.683 8.406 1.00 1.25 H new ATOM 0 HD11 LEU A 71 8.502 7.604 6.196 1.00 1.87 H new ATOM 0 HD12 LEU A 71 7.933 6.383 7.360 1.00 1.87 H new ATOM 0 HD13 LEU A 71 6.844 6.969 6.080 1.00 1.87 H new ATOM 0 HD21 LEU A 71 7.681 9.949 6.332 1.00 2.71 H new ATOM 0 HD22 LEU A 71 6.031 9.318 6.118 1.00 2.71 H new ATOM 0 HD23 LEU A 71 6.407 10.375 7.500 1.00 2.71 H new ATOM 1125 N LYS A 72 2.933 8.257 9.358 1.00 0.80 N ATOM 1126 CA LYS A 72 1.632 7.742 9.739 1.00 0.80 C ATOM 1127 C LYS A 72 1.269 6.733 8.651 1.00 0.73 C ATOM 1128 O LYS A 72 1.932 6.694 7.614 1.00 0.72 O ATOM 1129 CB LYS A 72 0.591 8.878 9.798 1.00 0.89 C ATOM 1130 CG LYS A 72 0.905 10.043 10.761 1.00 1.10 C ATOM 1131 CD LYS A 72 2.150 10.831 10.325 1.00 1.74 C ATOM 1132 CE LYS A 72 2.171 12.320 10.674 1.00 2.35 C ATOM 1133 NZ LYS A 72 3.319 12.966 10.002 1.00 3.54 N ATOM 0 H LYS A 72 2.911 8.715 8.447 1.00 0.80 H new ATOM 0 HA LYS A 72 1.648 7.286 10.729 1.00 0.80 H new ATOM 0 HB2 LYS A 72 0.472 9.286 8.794 1.00 0.89 H new ATOM 0 HB3 LYS A 72 -0.369 8.448 10.083 1.00 0.89 H new ATOM 0 HG2 LYS A 72 0.048 10.715 10.808 1.00 1.10 H new ATOM 0 HG3 LYS A 72 1.058 9.651 11.767 1.00 1.10 H new ATOM 0 HD2 LYS A 72 3.025 10.363 10.775 1.00 1.74 H new ATOM 0 HD3 LYS A 72 2.256 10.732 9.245 1.00 1.74 H new ATOM 0 HE2 LYS A 72 1.240 12.791 10.360 1.00 2.35 H new ATOM 0 HE3 LYS A 72 2.247 12.451 11.753 1.00 2.35 H new ATOM 0 HZ1 LYS A 72 3.564 13.845 10.502 1.00 3.54 H new ATOM 0 HZ2 LYS A 72 4.135 12.322 10.013 1.00 3.54 H new ATOM 0 HZ3 LYS A 72 3.066 13.187 9.018 1.00 3.54 H new ATOM 1147 N PHE A 73 0.211 5.950 8.853 1.00 0.82 N ATOM 1148 CA PHE A 73 -0.265 4.964 7.884 1.00 0.87 C ATOM 1149 C PHE A 73 -0.337 5.539 6.462 1.00 0.66 C ATOM 1150 O PHE A 73 0.194 4.947 5.526 1.00 0.58 O ATOM 1151 CB PHE A 73 -1.607 4.367 8.348 1.00 1.16 C ATOM 1152 CG PHE A 73 -2.514 5.333 9.091 1.00 1.31 C ATOM 1153 CD1 PHE A 73 -3.286 6.272 8.384 1.00 2.46 C ATOM 1154 CD2 PHE A 73 -2.441 5.412 10.496 1.00 2.17 C ATOM 1155 CE1 PHE A 73 -3.866 7.358 9.065 1.00 3.08 C ATOM 1156 CE2 PHE A 73 -3.057 6.475 11.177 1.00 2.91 C ATOM 1157 CZ PHE A 73 -3.748 7.462 10.460 1.00 2.99 C ATOM 0 H PHE A 73 -0.348 5.983 9.706 1.00 0.82 H new ATOM 0 HA PHE A 73 0.462 4.153 7.837 1.00 0.87 H new ATOM 0 HB2 PHE A 73 -2.140 3.988 7.476 1.00 1.16 H new ATOM 0 HB3 PHE A 73 -1.404 3.512 8.994 1.00 1.16 H new ATOM 0 HD1 PHE A 73 -3.433 6.160 7.320 1.00 2.46 H new ATOM 0 HD2 PHE A 73 -1.910 4.653 11.051 1.00 2.17 H new ATOM 0 HE1 PHE A 73 -4.404 8.114 8.513 1.00 3.08 H new ATOM 0 HE2 PHE A 73 -2.998 6.532 12.254 1.00 2.91 H new ATOM 0 HZ PHE A 73 -4.188 8.300 10.980 1.00 2.99 H new ATOM 1167 N ASN A 74 -0.976 6.699 6.288 1.00 0.68 N ATOM 1168 CA ASN A 74 -1.156 7.295 4.965 1.00 0.68 C ATOM 1169 C ASN A 74 0.177 7.731 4.358 1.00 0.57 C ATOM 1170 O ASN A 74 0.444 7.491 3.181 1.00 0.64 O ATOM 1171 CB ASN A 74 -2.077 8.510 5.045 1.00 0.90 C ATOM 1172 CG ASN A 74 -2.372 9.008 3.633 1.00 2.36 C ATOM 1173 OD1 ASN A 74 -1.691 9.901 3.132 1.00 3.26 O ATOM 1174 ND2 ASN A 74 -3.369 8.416 2.986 1.00 3.70 N ATOM 0 H ASN A 74 -1.378 7.244 7.051 1.00 0.68 H new ATOM 0 HA ASN A 74 -1.601 6.530 4.329 1.00 0.68 H new ATOM 0 HB2 ASN A 74 -3.005 8.245 5.552 1.00 0.90 H new ATOM 0 HB3 ASN A 74 -1.607 9.300 5.632 1.00 0.90 H new ATOM 0 HD21 ASN A 74 -3.597 8.698 2.033 1.00 3.70 H new ATOM 0 HD22 ASN A 74 -3.907 7.679 3.442 1.00 3.70 H new ATOM 1181 N GLU A 75 0.980 8.406 5.186 1.00 0.57 N ATOM 1182 CA GLU A 75 2.313 8.885 4.859 1.00 0.72 C ATOM 1183 C GLU A 75 3.127 7.712 4.312 1.00 0.56 C ATOM 1184 O GLU A 75 3.584 7.733 3.171 1.00 0.58 O ATOM 1185 CB GLU A 75 2.948 9.504 6.124 1.00 1.08 C ATOM 1186 CG GLU A 75 3.499 10.927 5.942 1.00 1.59 C ATOM 1187 CD GLU A 75 2.496 11.992 6.355 1.00 2.23 C ATOM 1188 OE1 GLU A 75 1.611 12.289 5.520 1.00 2.64 O ATOM 1189 OE2 GLU A 75 2.637 12.494 7.493 1.00 3.50 O ATOM 0 H GLU A 75 0.702 8.640 6.139 1.00 0.57 H new ATOM 0 HA GLU A 75 2.284 9.661 4.094 1.00 0.72 H new ATOM 0 HB2 GLU A 75 2.201 9.518 6.918 1.00 1.08 H new ATOM 0 HB3 GLU A 75 3.758 8.857 6.460 1.00 1.08 H new ATOM 0 HG2 GLU A 75 4.409 11.040 6.532 1.00 1.59 H new ATOM 0 HG3 GLU A 75 3.775 11.076 4.898 1.00 1.59 H new ATOM 1196 N TYR A 76 3.251 6.664 5.130 1.00 0.51 N ATOM 1197 CA TYR A 76 3.855 5.403 4.746 1.00 0.49 C ATOM 1198 C TYR A 76 3.290 4.943 3.403 1.00 0.46 C ATOM 1199 O TYR A 76 4.056 4.648 2.494 1.00 0.46 O ATOM 1200 CB TYR A 76 3.607 4.374 5.856 1.00 0.57 C ATOM 1201 CG TYR A 76 4.007 2.953 5.510 1.00 0.71 C ATOM 1202 CD1 TYR A 76 3.112 2.121 4.811 1.00 2.00 C ATOM 1203 CD2 TYR A 76 5.217 2.425 5.991 1.00 1.65 C ATOM 1204 CE1 TYR A 76 3.419 0.767 4.611 1.00 2.15 C ATOM 1205 CE2 TYR A 76 5.504 1.058 5.830 1.00 1.75 C ATOM 1206 CZ TYR A 76 4.592 0.227 5.157 1.00 1.22 C ATOM 1207 OH TYR A 76 4.826 -1.107 5.048 1.00 1.56 O ATOM 0 H TYR A 76 2.925 6.677 6.096 1.00 0.51 H new ATOM 0 HA TYR A 76 4.932 5.519 4.622 1.00 0.49 H new ATOM 0 HB2 TYR A 76 4.154 4.683 6.747 1.00 0.57 H new ATOM 0 HB3 TYR A 76 2.548 4.386 6.112 1.00 0.57 H new ATOM 0 HD1 TYR A 76 2.187 2.526 4.428 1.00 2.00 H new ATOM 0 HD2 TYR A 76 5.928 3.070 6.485 1.00 1.65 H new ATOM 0 HE1 TYR A 76 2.752 0.141 4.037 1.00 2.15 H new ATOM 0 HE2 TYR A 76 6.423 0.648 6.222 1.00 1.75 H new ATOM 0 HH TYR A 76 4.410 -1.446 4.228 1.00 1.56 H new ATOM 1217 N TRP A 77 1.961 4.876 3.276 1.00 0.47 N ATOM 1218 CA TRP A 77 1.331 4.306 2.096 1.00 0.44 C ATOM 1219 C TRP A 77 1.865 4.913 0.801 1.00 0.42 C ATOM 1220 O TRP A 77 2.587 4.247 0.063 1.00 0.44 O ATOM 1221 CB TRP A 77 -0.195 4.384 2.169 1.00 0.45 C ATOM 1222 CG TRP A 77 -0.835 3.082 1.881 1.00 0.44 C ATOM 1223 CD1 TRP A 77 -1.131 2.655 0.642 1.00 0.49 C ATOM 1224 CD2 TRP A 77 -1.326 2.063 2.794 1.00 0.44 C ATOM 1225 NE1 TRP A 77 -1.725 1.425 0.714 1.00 0.52 N ATOM 1226 CE2 TRP A 77 -1.889 1.013 2.014 1.00 0.49 C ATOM 1227 CE3 TRP A 77 -1.424 1.944 4.196 1.00 0.46 C ATOM 1228 CZ2 TRP A 77 -2.479 -0.115 2.588 1.00 0.56 C ATOM 1229 CZ3 TRP A 77 -2.080 0.841 4.769 1.00 0.50 C ATOM 1230 CH2 TRP A 77 -2.541 -0.212 3.980 1.00 0.55 C ATOM 0 H TRP A 77 1.305 5.212 3.981 1.00 0.47 H new ATOM 0 HA TRP A 77 1.600 3.250 2.082 1.00 0.44 H new ATOM 0 HB2 TRP A 77 -0.493 4.722 3.162 1.00 0.45 H new ATOM 0 HB3 TRP A 77 -0.554 5.128 1.458 1.00 0.45 H new ATOM 0 HD1 TRP A 77 -0.931 3.199 -0.269 1.00 0.49 H new ATOM 0 HE1 TRP A 77 -2.011 0.880 -0.099 1.00 0.52 H new ATOM 0 HE3 TRP A 77 -0.993 2.703 4.832 1.00 0.46 H new ATOM 0 HZ2 TRP A 77 -2.881 -0.900 1.965 1.00 0.56 H new ATOM 0 HZ3 TRP A 77 -2.229 0.809 5.838 1.00 0.50 H new ATOM 0 HH2 TRP A 77 -2.945 -1.100 4.444 1.00 0.55 H new ATOM 1241 N ARG A 78 1.512 6.164 0.502 1.00 0.44 N ATOM 1242 CA ARG A 78 1.970 6.826 -0.711 1.00 0.49 C ATOM 1243 C ARG A 78 3.492 6.679 -0.905 1.00 0.48 C ATOM 1244 O ARG A 78 3.938 6.392 -2.016 1.00 0.51 O ATOM 1245 CB ARG A 78 1.463 8.274 -0.712 1.00 0.70 C ATOM 1246 CG ARG A 78 2.003 9.177 0.400 1.00 1.18 C ATOM 1247 CD ARG A 78 1.064 10.382 0.552 1.00 1.57 C ATOM 1248 NE ARG A 78 1.729 11.486 1.258 1.00 2.26 N ATOM 1249 CZ ARG A 78 1.540 11.875 2.530 1.00 3.33 C ATOM 1250 NH1 ARG A 78 0.563 11.389 3.300 1.00 4.38 N ATOM 1251 NH2 ARG A 78 2.364 12.770 3.074 1.00 4.07 N ATOM 0 H ARG A 78 0.907 6.738 1.089 1.00 0.44 H new ATOM 0 HA ARG A 78 1.545 6.337 -1.588 1.00 0.49 H new ATOM 0 HB2 ARG A 78 1.714 8.725 -1.672 1.00 0.70 H new ATOM 0 HB3 ARG A 78 0.375 8.257 -0.642 1.00 0.70 H new ATOM 0 HG2 ARG A 78 2.066 8.626 1.338 1.00 1.18 H new ATOM 0 HG3 ARG A 78 3.012 9.512 0.159 1.00 1.18 H new ATOM 0 HD2 ARG A 78 0.738 10.719 -0.432 1.00 1.57 H new ATOM 0 HD3 ARG A 78 0.170 10.083 1.099 1.00 1.57 H new ATOM 0 HE ARG A 78 2.413 12.018 0.720 1.00 2.26 H new ATOM 0 HH11 ARG A 78 -0.080 10.691 2.927 1.00 4.38 H new ATOM 0 HH12 ARG A 78 0.460 11.716 4.261 1.00 4.38 H new ATOM 0 HH21 ARG A 78 3.133 13.155 2.525 1.00 4.07 H new ATOM 0 HH22 ARG A 78 2.226 13.070 4.039 1.00 4.07 H new ATOM 1265 N LEU A 79 4.289 6.794 0.168 1.00 0.49 N ATOM 1266 CA LEU A 79 5.733 6.561 0.105 1.00 0.51 C ATOM 1267 C LEU A 79 6.079 5.138 -0.373 1.00 0.51 C ATOM 1268 O LEU A 79 6.975 4.971 -1.200 1.00 0.55 O ATOM 1269 CB LEU A 79 6.389 6.856 1.465 1.00 0.61 C ATOM 1270 CG LEU A 79 6.762 8.330 1.734 1.00 0.68 C ATOM 1271 CD1 LEU A 79 5.753 9.373 1.239 1.00 0.74 C ATOM 1272 CD2 LEU A 79 7.017 8.528 3.234 1.00 0.93 C ATOM 0 H LEU A 79 3.950 7.049 1.096 1.00 0.49 H new ATOM 0 HA LEU A 79 6.136 7.250 -0.637 1.00 0.51 H new ATOM 0 HB2 LEU A 79 5.711 6.525 2.252 1.00 0.61 H new ATOM 0 HB3 LEU A 79 7.293 6.253 1.548 1.00 0.61 H new ATOM 0 HG LEU A 79 7.661 8.508 1.145 1.00 0.68 H new ATOM 0 HD11 LEU A 79 6.115 10.372 1.480 1.00 0.74 H new ATOM 0 HD12 LEU A 79 5.634 9.281 0.159 1.00 0.74 H new ATOM 0 HD13 LEU A 79 4.791 9.208 1.725 1.00 0.74 H new ATOM 0 HD21 LEU A 79 7.280 9.568 3.424 1.00 0.93 H new ATOM 0 HD22 LEU A 79 6.116 8.274 3.793 1.00 0.93 H new ATOM 0 HD23 LEU A 79 7.836 7.883 3.552 1.00 0.93 H new ATOM 1284 N ILE A 80 5.423 4.087 0.133 1.00 0.51 N ATOM 1285 CA ILE A 80 5.716 2.734 -0.342 1.00 0.53 C ATOM 1286 C ILE A 80 5.162 2.511 -1.749 1.00 0.50 C ATOM 1287 O ILE A 80 5.727 1.742 -2.520 1.00 0.54 O ATOM 1288 CB ILE A 80 5.326 1.620 0.642 1.00 0.60 C ATOM 1289 CG1 ILE A 80 3.825 1.467 0.903 1.00 0.95 C ATOM 1290 CG2 ILE A 80 5.999 1.878 1.975 1.00 0.48 C ATOM 1291 CD1 ILE A 80 3.424 -0.008 1.004 1.00 0.57 C ATOM 0 H ILE A 80 4.703 4.145 0.854 1.00 0.51 H new ATOM 0 HA ILE A 80 6.802 2.663 -0.401 1.00 0.53 H new ATOM 0 HB ILE A 80 5.654 0.696 0.166 1.00 0.60 H new ATOM 0 HG12 ILE A 80 3.560 1.982 1.826 1.00 0.95 H new ATOM 0 HG13 ILE A 80 3.264 1.944 0.100 1.00 0.95 H new ATOM 0 HG21 ILE A 80 5.727 1.091 2.678 1.00 0.48 H new ATOM 0 HG22 ILE A 80 7.081 1.886 1.841 1.00 0.48 H new ATOM 0 HG23 ILE A 80 5.674 2.842 2.366 1.00 0.48 H new ATOM 0 HD11 ILE A 80 2.352 -0.082 1.190 1.00 0.57 H new ATOM 0 HD12 ILE A 80 3.666 -0.516 0.070 1.00 0.57 H new ATOM 0 HD13 ILE A 80 3.967 -0.477 1.824 1.00 0.57 H new ATOM 1303 N GLY A 81 4.088 3.216 -2.098 1.00 0.44 N ATOM 1304 CA GLY A 81 3.636 3.355 -3.475 1.00 0.41 C ATOM 1305 C GLY A 81 4.778 3.819 -4.374 1.00 0.44 C ATOM 1306 O GLY A 81 5.127 3.155 -5.354 1.00 0.60 O ATOM 0 H GLY A 81 3.503 3.711 -1.424 1.00 0.44 H new ATOM 0 HA2 GLY A 81 3.249 2.401 -3.834 1.00 0.41 H new ATOM 0 HA3 GLY A 81 2.815 4.071 -3.523 1.00 0.41 H new ATOM 1310 N GLU A 82 5.389 4.947 -4.007 1.00 0.44 N ATOM 1311 CA GLU A 82 6.584 5.431 -4.668 1.00 0.51 C ATOM 1312 C GLU A 82 7.654 4.337 -4.723 1.00 0.57 C ATOM 1313 O GLU A 82 8.208 4.085 -5.788 1.00 0.66 O ATOM 1314 CB GLU A 82 7.078 6.706 -3.981 1.00 0.57 C ATOM 1315 CG GLU A 82 6.236 7.922 -4.381 1.00 0.69 C ATOM 1316 CD GLU A 82 7.025 9.202 -4.175 1.00 1.78 C ATOM 1317 OE1 GLU A 82 7.390 9.457 -3.008 1.00 2.76 O ATOM 1318 OE2 GLU A 82 7.302 9.850 -5.209 1.00 2.77 O ATOM 0 H GLU A 82 5.064 5.543 -3.245 1.00 0.44 H new ATOM 0 HA GLU A 82 6.350 5.687 -5.701 1.00 0.51 H new ATOM 0 HB2 GLU A 82 7.040 6.576 -2.899 1.00 0.57 H new ATOM 0 HB3 GLU A 82 8.121 6.882 -4.245 1.00 0.57 H new ATOM 0 HG2 GLU A 82 5.935 7.837 -5.425 1.00 0.69 H new ATOM 0 HG3 GLU A 82 5.322 7.951 -3.787 1.00 0.69 H new ATOM 1325 N LEU A 83 7.908 3.640 -3.612 1.00 0.57 N ATOM 1326 CA LEU A 83 8.857 2.534 -3.600 1.00 0.66 C ATOM 1327 C LEU A 83 8.509 1.469 -4.666 1.00 0.67 C ATOM 1328 O LEU A 83 9.364 1.103 -5.475 1.00 0.71 O ATOM 1329 CB LEU A 83 8.992 1.967 -2.177 1.00 0.77 C ATOM 1330 CG LEU A 83 10.410 1.496 -1.813 1.00 1.07 C ATOM 1331 CD1 LEU A 83 11.032 0.649 -2.920 1.00 1.98 C ATOM 1332 CD2 LEU A 83 11.350 2.665 -1.499 1.00 2.17 C ATOM 0 H LEU A 83 7.467 3.826 -2.711 1.00 0.57 H new ATOM 0 HA LEU A 83 9.841 2.907 -3.884 1.00 0.66 H new ATOM 0 HB2 LEU A 83 8.682 2.731 -1.464 1.00 0.77 H new ATOM 0 HB3 LEU A 83 8.304 1.129 -2.066 1.00 0.77 H new ATOM 0 HG LEU A 83 10.293 0.887 -0.916 1.00 1.07 H new ATOM 0 HD11 LEU A 83 12.033 0.338 -2.621 1.00 1.98 H new ATOM 0 HD12 LEU A 83 10.415 -0.232 -3.094 1.00 1.98 H new ATOM 0 HD13 LEU A 83 11.093 1.236 -3.836 1.00 1.98 H new ATOM 0 HD21 LEU A 83 12.338 2.280 -1.248 1.00 2.17 H new ATOM 0 HD22 LEU A 83 11.425 3.316 -2.370 1.00 2.17 H new ATOM 0 HD23 LEU A 83 10.956 3.232 -0.655 1.00 2.17 H new ATOM 1344 N ALA A 84 7.259 0.981 -4.724 1.00 0.66 N ATOM 1345 CA ALA A 84 6.834 0.116 -5.821 1.00 0.70 C ATOM 1346 C ALA A 84 7.131 0.719 -7.206 1.00 0.74 C ATOM 1347 O ALA A 84 7.490 -0.012 -8.123 1.00 0.85 O ATOM 1348 CB ALA A 84 5.347 -0.223 -5.672 1.00 0.69 C ATOM 0 H ALA A 84 6.537 1.172 -4.029 1.00 0.66 H new ATOM 0 HA ALA A 84 7.419 -0.802 -5.759 1.00 0.70 H new ATOM 0 HB1 ALA A 84 5.037 -0.868 -6.494 1.00 0.69 H new ATOM 0 HB2 ALA A 84 5.184 -0.738 -4.725 1.00 0.69 H new ATOM 0 HB3 ALA A 84 4.761 0.696 -5.691 1.00 0.69 H new ATOM 1354 N LYS A 85 6.975 2.036 -7.377 1.00 0.74 N ATOM 1355 CA LYS A 85 7.257 2.719 -8.642 1.00 0.84 C ATOM 1356 C LYS A 85 8.747 2.676 -8.994 1.00 0.79 C ATOM 1357 O LYS A 85 9.123 2.339 -10.115 1.00 0.93 O ATOM 1358 CB LYS A 85 6.719 4.159 -8.565 1.00 1.08 C ATOM 1359 CG LYS A 85 6.521 4.801 -9.941 1.00 1.02 C ATOM 1360 CD LYS A 85 6.040 6.255 -9.774 1.00 1.47 C ATOM 1361 CE LYS A 85 6.976 7.265 -10.447 1.00 1.86 C ATOM 1362 NZ LYS A 85 8.254 7.393 -9.720 1.00 2.76 N ATOM 0 H LYS A 85 6.648 2.660 -6.639 1.00 0.74 H new ATOM 0 HA LYS A 85 6.747 2.197 -9.451 1.00 0.84 H new ATOM 0 HB2 LYS A 85 5.769 4.157 -8.031 1.00 1.08 H new ATOM 0 HB3 LYS A 85 7.410 4.768 -7.983 1.00 1.08 H new ATOM 0 HG2 LYS A 85 7.456 4.780 -10.500 1.00 1.02 H new ATOM 0 HG3 LYS A 85 5.792 4.231 -10.517 1.00 1.02 H new ATOM 0 HD2 LYS A 85 5.040 6.354 -10.196 1.00 1.47 H new ATOM 0 HD3 LYS A 85 5.962 6.489 -8.712 1.00 1.47 H new ATOM 0 HE2 LYS A 85 7.171 6.953 -11.473 1.00 1.86 H new ATOM 0 HE3 LYS A 85 6.487 8.238 -10.497 1.00 1.86 H new ATOM 0 HZ1 LYS A 85 8.990 7.735 -10.370 1.00 2.76 H new ATOM 0 HZ2 LYS A 85 8.142 8.069 -8.937 1.00 2.76 H new ATOM 0 HZ3 LYS A 85 8.532 6.466 -9.340 1.00 2.76 H new ATOM 1376 N GLU A 86 9.573 3.071 -8.030 1.00 0.67 N ATOM 1377 CA GLU A 86 11.029 3.054 -8.035 1.00 0.70 C ATOM 1378 C GLU A 86 11.581 1.721 -8.572 1.00 0.71 C ATOM 1379 O GLU A 86 12.208 1.678 -9.629 1.00 0.89 O ATOM 1380 CB GLU A 86 11.432 3.388 -6.587 1.00 0.74 C ATOM 1381 CG GLU A 86 11.594 4.906 -6.454 1.00 0.87 C ATOM 1382 CD GLU A 86 11.385 5.367 -5.027 1.00 1.22 C ATOM 1383 OE1 GLU A 86 12.190 5.010 -4.143 1.00 2.15 O ATOM 1384 OE2 GLU A 86 10.413 6.117 -4.788 1.00 1.92 O ATOM 0 H GLU A 86 9.209 3.442 -7.153 1.00 0.67 H new ATOM 0 HA GLU A 86 11.464 3.784 -8.717 1.00 0.70 H new ATOM 0 HB2 GLU A 86 10.674 3.028 -5.892 1.00 0.74 H new ATOM 0 HB3 GLU A 86 12.364 2.885 -6.330 1.00 0.74 H new ATOM 0 HG2 GLU A 86 12.590 5.197 -6.788 1.00 0.87 H new ATOM 0 HG3 GLU A 86 10.879 5.407 -7.107 1.00 0.87 H new ATOM 1391 N ILE A 87 11.252 0.632 -7.889 1.00 0.62 N ATOM 1392 CA ILE A 87 11.539 -0.751 -8.183 1.00 0.73 C ATOM 1393 C ILE A 87 10.696 -1.464 -9.248 1.00 0.69 C ATOM 1394 O ILE A 87 9.608 -1.985 -8.991 1.00 0.82 O ATOM 1395 CB ILE A 87 12.322 -1.559 -7.120 1.00 0.76 C ATOM 1396 CG1 ILE A 87 12.305 -3.078 -7.366 1.00 1.37 C ATOM 1397 CG2 ILE A 87 11.809 -1.352 -5.681 1.00 1.35 C ATOM 1398 CD1 ILE A 87 13.622 -3.635 -6.855 1.00 1.88 C ATOM 0 H ILE A 87 10.720 0.715 -7.023 1.00 0.62 H new ATOM 0 HA ILE A 87 12.383 -0.653 -8.866 1.00 0.73 H new ATOM 0 HB ILE A 87 13.333 -1.165 -7.223 1.00 0.76 H new ATOM 0 HG12 ILE A 87 11.465 -3.541 -6.848 1.00 1.37 H new ATOM 0 HG13 ILE A 87 12.183 -3.294 -8.427 1.00 1.37 H new ATOM 0 HG21 ILE A 87 12.406 -1.950 -4.992 1.00 1.35 H new ATOM 0 HG22 ILE A 87 11.892 -0.299 -5.413 1.00 1.35 H new ATOM 0 HG23 ILE A 87 10.766 -1.661 -5.619 1.00 1.35 H new ATOM 0 HD11 ILE A 87 13.647 -4.713 -7.013 1.00 1.88 H new ATOM 0 HD12 ILE A 87 14.447 -3.170 -7.394 1.00 1.88 H new ATOM 0 HD13 ILE A 87 13.719 -3.422 -5.790 1.00 1.88 H new ATOM 1410 N ARG A 88 11.260 -1.613 -10.444 1.00 0.91 N ATOM 1411 CA ARG A 88 10.614 -2.339 -11.525 1.00 1.18 C ATOM 1412 C ARG A 88 10.847 -3.833 -11.285 1.00 1.15 C ATOM 1413 O ARG A 88 11.637 -4.473 -11.975 1.00 1.49 O ATOM 1414 CB ARG A 88 11.143 -1.877 -12.901 1.00 1.69 C ATOM 1415 CG ARG A 88 11.010 -0.349 -13.151 1.00 2.42 C ATOM 1416 CD ARG A 88 10.351 0.471 -14.295 1.00 2.04 C ATOM 1417 NE ARG A 88 11.295 1.444 -14.888 1.00 3.44 N ATOM 1418 CZ ARG A 88 11.204 1.977 -16.121 1.00 3.71 C ATOM 1419 NH1 ARG A 88 10.154 1.696 -16.900 1.00 2.89 N ATOM 1420 NH2 ARG A 88 12.170 2.789 -16.568 1.00 5.38 N ATOM 0 H ARG A 88 12.175 -1.234 -10.687 1.00 0.91 H new ATOM 0 HA ARG A 88 9.543 -2.137 -11.536 1.00 1.18 H new ATOM 0 HB2 ARG A 88 12.192 -2.159 -12.988 1.00 1.69 H new ATOM 0 HB3 ARG A 88 10.604 -2.411 -13.684 1.00 1.69 H new ATOM 0 HG2 ARG A 88 10.524 0.023 -12.249 1.00 2.42 H new ATOM 0 HG3 ARG A 88 12.039 0.010 -13.130 1.00 2.42 H new ATOM 0 HD2 ARG A 88 9.994 -0.208 -15.070 1.00 2.04 H new ATOM 0 HD3 ARG A 88 9.480 0.999 -13.908 1.00 2.04 H new ATOM 0 HE ARG A 88 12.084 1.737 -14.312 1.00 3.44 H new ATOM 0 HH11 ARG A 88 9.419 1.076 -16.561 1.00 2.89 H new ATOM 0 HH12 ARG A 88 10.089 2.102 -17.834 1.00 2.89 H new ATOM 0 HH21 ARG A 88 12.972 3.002 -15.975 1.00 5.38 H new ATOM 0 HH22 ARG A 88 12.104 3.194 -17.502 1.00 5.38 H new ATOM 1434 N LYS A 89 10.118 -4.360 -10.300 1.00 0.99 N ATOM 1435 CA LYS A 89 9.963 -5.755 -9.890 1.00 1.11 C ATOM 1436 C LYS A 89 9.873 -6.802 -11.013 1.00 1.50 C ATOM 1437 O LYS A 89 9.985 -7.993 -10.725 1.00 3.10 O ATOM 1438 CB LYS A 89 8.677 -5.802 -9.055 1.00 1.44 C ATOM 1439 CG LYS A 89 8.879 -5.153 -7.679 1.00 1.33 C ATOM 1440 CD LYS A 89 7.573 -4.554 -7.150 1.00 1.46 C ATOM 1441 CE LYS A 89 7.731 -4.014 -5.722 1.00 1.93 C ATOM 1442 NZ LYS A 89 7.835 -5.090 -4.714 1.00 2.80 N ATOM 0 H LYS A 89 9.559 -3.749 -9.704 1.00 0.99 H new ATOM 0 HA LYS A 89 10.871 -6.034 -9.355 1.00 1.11 H new ATOM 0 HB2 LYS A 89 7.877 -5.288 -9.587 1.00 1.44 H new ATOM 0 HB3 LYS A 89 8.362 -6.838 -8.928 1.00 1.44 H new ATOM 0 HG2 LYS A 89 9.252 -5.897 -6.975 1.00 1.33 H new ATOM 0 HG3 LYS A 89 9.637 -4.373 -7.750 1.00 1.33 H new ATOM 0 HD2 LYS A 89 7.249 -3.749 -7.809 1.00 1.46 H new ATOM 0 HD3 LYS A 89 6.792 -5.314 -7.167 1.00 1.46 H new ATOM 0 HE2 LYS A 89 8.621 -3.387 -5.671 1.00 1.93 H new ATOM 0 HE3 LYS A 89 6.879 -3.378 -5.482 1.00 1.93 H new ATOM 0 HZ1 LYS A 89 7.537 -4.727 -3.786 1.00 2.80 H new ATOM 0 HZ2 LYS A 89 7.222 -5.884 -4.989 1.00 2.80 H new ATOM 0 HZ3 LYS A 89 8.820 -5.418 -4.657 1.00 2.80 H new ATOM 1456 N LYS A 90 9.641 -6.400 -12.266 1.00 1.62 N ATOM 1457 CA LYS A 90 9.520 -7.274 -13.425 1.00 1.90 C ATOM 1458 C LYS A 90 8.216 -8.068 -13.336 1.00 2.04 C ATOM 1459 O LYS A 90 7.275 -7.752 -14.058 1.00 2.97 O ATOM 1460 CB LYS A 90 10.787 -8.133 -13.612 1.00 2.50 C ATOM 1461 CG LYS A 90 10.816 -8.873 -14.956 1.00 3.27 C ATOM 1462 CD LYS A 90 12.146 -9.635 -15.077 1.00 4.30 C ATOM 1463 CE LYS A 90 12.294 -10.388 -16.408 1.00 5.41 C ATOM 1464 NZ LYS A 90 11.335 -11.505 -16.542 1.00 6.60 N ATOM 0 H LYS A 90 9.529 -5.415 -12.505 1.00 1.62 H new ATOM 0 HA LYS A 90 9.455 -6.681 -14.337 1.00 1.90 H new ATOM 0 HB2 LYS A 90 11.667 -7.494 -13.536 1.00 2.50 H new ATOM 0 HB3 LYS A 90 10.850 -8.860 -12.802 1.00 2.50 H new ATOM 0 HG2 LYS A 90 9.977 -9.566 -15.023 1.00 3.27 H new ATOM 0 HG3 LYS A 90 10.711 -8.165 -15.778 1.00 3.27 H new ATOM 0 HD2 LYS A 90 12.971 -8.931 -14.972 1.00 4.30 H new ATOM 0 HD3 LYS A 90 12.226 -10.346 -14.254 1.00 4.30 H new ATOM 0 HE2 LYS A 90 12.150 -9.690 -17.233 1.00 5.41 H new ATOM 0 HE3 LYS A 90 13.310 -10.775 -16.491 1.00 5.41 H new ATOM 0 HZ1 LYS A 90 11.479 -11.978 -17.457 1.00 6.60 H new ATOM 0 HZ2 LYS A 90 11.487 -12.187 -15.772 1.00 6.60 H new ATOM 0 HZ3 LYS A 90 10.364 -11.137 -16.491 1.00 6.60 H new ATOM 1478 N LYS A 91 8.160 -9.061 -12.443 1.00 1.85 N ATOM 1479 CA LYS A 91 6.963 -9.826 -12.101 1.00 2.59 C ATOM 1480 C LYS A 91 7.282 -10.797 -10.957 1.00 2.46 C ATOM 1481 O LYS A 91 6.546 -10.885 -9.979 1.00 2.99 O ATOM 1482 CB LYS A 91 6.405 -10.589 -13.324 1.00 3.34 C ATOM 1483 CG LYS A 91 4.970 -11.103 -13.100 1.00 4.73 C ATOM 1484 CD LYS A 91 4.907 -12.595 -12.746 1.00 5.66 C ATOM 1485 CE LYS A 91 5.093 -13.466 -14.000 1.00 5.42 C ATOM 1486 NZ LYS A 91 5.308 -14.884 -13.653 1.00 6.10 N ATOM 0 H LYS A 91 8.981 -9.364 -11.919 1.00 1.85 H new ATOM 0 HA LYS A 91 6.191 -9.128 -11.777 1.00 2.59 H new ATOM 0 HB2 LYS A 91 6.420 -9.933 -14.194 1.00 3.34 H new ATOM 0 HB3 LYS A 91 7.058 -11.432 -13.550 1.00 3.34 H new ATOM 0 HG2 LYS A 91 4.506 -10.527 -12.299 1.00 4.73 H new ATOM 0 HG3 LYS A 91 4.383 -10.926 -14.001 1.00 4.73 H new ATOM 0 HD2 LYS A 91 5.681 -12.832 -12.016 1.00 5.66 H new ATOM 0 HD3 LYS A 91 3.948 -12.822 -12.280 1.00 5.66 H new ATOM 0 HE2 LYS A 91 4.214 -13.377 -14.639 1.00 5.42 H new ATOM 0 HE3 LYS A 91 5.943 -13.099 -14.575 1.00 5.42 H new ATOM 0 HZ1 LYS A 91 5.945 -15.319 -14.351 1.00 6.10 H new ATOM 0 HZ2 LYS A 91 5.735 -14.949 -12.707 1.00 6.10 H new ATOM 0 HZ3 LYS A 91 4.396 -15.384 -13.657 1.00 6.10 H new ATOM 1500 N ASP A 92 8.372 -11.555 -11.104 1.00 2.07 N ATOM 1501 CA ASP A 92 8.627 -12.770 -10.342 1.00 2.30 C ATOM 1502 C ASP A 92 9.598 -12.461 -9.211 1.00 1.80 C ATOM 1503 O ASP A 92 10.763 -12.854 -9.247 1.00 2.00 O ATOM 1504 CB ASP A 92 9.155 -13.867 -11.276 1.00 2.89 C ATOM 1505 CG ASP A 92 8.077 -14.346 -12.229 1.00 4.07 C ATOM 1506 OD1 ASP A 92 7.153 -15.054 -11.772 1.00 4.79 O ATOM 1507 OD2 ASP A 92 8.106 -13.965 -13.417 1.00 4.94 O ATOM 0 H ASP A 92 9.113 -11.333 -11.769 1.00 2.07 H new ATOM 0 HA ASP A 92 7.703 -13.139 -9.897 1.00 2.30 H new ATOM 0 HB2 ASP A 92 10.003 -13.486 -11.845 1.00 2.89 H new ATOM 0 HB3 ASP A 92 9.520 -14.707 -10.684 1.00 2.89 H new ATOM 1512 N LEU A 93 9.100 -11.738 -8.208 1.00 1.57 N ATOM 1513 CA LEU A 93 9.903 -11.214 -7.112 1.00 1.33 C ATOM 1514 C LEU A 93 10.876 -12.244 -6.530 1.00 1.07 C ATOM 1515 O LEU A 93 12.079 -11.986 -6.474 1.00 1.08 O ATOM 1516 CB LEU A 93 8.987 -10.713 -5.988 1.00 2.17 C ATOM 1517 CG LEU A 93 8.662 -9.219 -6.022 1.00 1.33 C ATOM 1518 CD1 LEU A 93 9.941 -8.374 -5.947 1.00 2.63 C ATOM 1519 CD2 LEU A 93 7.784 -8.874 -7.226 1.00 2.25 C ATOM 0 H LEU A 93 8.111 -11.498 -8.136 1.00 1.57 H new ATOM 0 HA LEU A 93 10.496 -10.399 -7.528 1.00 1.33 H new ATOM 0 HB2 LEU A 93 8.052 -11.272 -6.028 1.00 2.17 H new ATOM 0 HB3 LEU A 93 9.455 -10.944 -5.031 1.00 2.17 H new ATOM 0 HG LEU A 93 8.078 -8.971 -5.136 1.00 1.33 H new ATOM 0 HD11 LEU A 93 9.680 -7.316 -5.973 1.00 2.63 H new ATOM 0 HD12 LEU A 93 10.469 -8.595 -5.019 1.00 2.63 H new ATOM 0 HD13 LEU A 93 10.583 -8.610 -6.795 1.00 2.63 H new ATOM 0 HD21 LEU A 93 7.569 -7.806 -7.225 1.00 2.25 H new ATOM 0 HD22 LEU A 93 8.307 -9.138 -8.145 1.00 2.25 H new ATOM 0 HD23 LEU A 93 6.850 -9.433 -7.167 1.00 2.25 H new ATOM 1531 N LYS A 94 10.351 -13.408 -6.107 1.00 1.27 N ATOM 1532 CA LYS A 94 11.051 -14.294 -5.176 1.00 1.30 C ATOM 1533 C LYS A 94 12.457 -14.696 -5.669 1.00 1.27 C ATOM 1534 O LYS A 94 13.294 -15.162 -4.896 1.00 1.42 O ATOM 1535 CB LYS A 94 10.239 -15.519 -4.704 1.00 1.93 C ATOM 1536 CG LYS A 94 8.993 -15.254 -3.844 1.00 2.19 C ATOM 1537 CD LYS A 94 7.828 -14.623 -4.604 1.00 2.40 C ATOM 1538 CE LYS A 94 6.535 -14.655 -3.775 1.00 2.55 C ATOM 1539 NZ LYS A 94 5.397 -14.101 -4.533 1.00 3.38 N ATOM 0 H LYS A 94 9.437 -13.754 -6.401 1.00 1.27 H new ATOM 0 HA LYS A 94 11.179 -13.679 -4.285 1.00 1.30 H new ATOM 0 HB2 LYS A 94 9.926 -16.076 -5.587 1.00 1.93 H new ATOM 0 HB3 LYS A 94 10.907 -16.168 -4.138 1.00 1.93 H new ATOM 0 HG2 LYS A 94 8.660 -16.196 -3.408 1.00 2.19 H new ATOM 0 HG3 LYS A 94 9.269 -14.600 -3.017 1.00 2.19 H new ATOM 0 HD2 LYS A 94 8.073 -13.592 -4.858 1.00 2.40 H new ATOM 0 HD3 LYS A 94 7.673 -15.155 -5.543 1.00 2.40 H new ATOM 0 HE2 LYS A 94 6.314 -15.681 -3.482 1.00 2.55 H new ATOM 0 HE3 LYS A 94 6.675 -14.084 -2.857 1.00 2.55 H new ATOM 0 HZ1 LYS A 94 4.719 -13.668 -3.874 1.00 3.38 H new ATOM 0 HZ2 LYS A 94 5.741 -13.380 -5.199 1.00 3.38 H new ATOM 0 HZ3 LYS A 94 4.927 -14.864 -5.061 1.00 3.38 H new ATOM 1553 N ILE A 95 12.713 -14.549 -6.972 1.00 1.36 N ATOM 1554 CA ILE A 95 14.001 -14.753 -7.614 1.00 1.75 C ATOM 1555 C ILE A 95 15.171 -14.033 -6.918 1.00 1.76 C ATOM 1556 O ILE A 95 16.291 -14.511 -7.059 1.00 2.11 O ATOM 1557 CB ILE A 95 13.878 -14.366 -9.107 1.00 2.02 C ATOM 1558 CG1 ILE A 95 12.888 -15.313 -9.815 1.00 2.04 C ATOM 1559 CG2 ILE A 95 15.233 -14.385 -9.833 1.00 2.50 C ATOM 1560 CD1 ILE A 95 12.602 -14.916 -11.267 1.00 2.52 C ATOM 0 H ILE A 95 11.988 -14.271 -7.634 1.00 1.36 H new ATOM 0 HA ILE A 95 14.255 -15.809 -7.526 1.00 1.75 H new ATOM 0 HB ILE A 95 13.506 -13.342 -9.146 1.00 2.02 H new ATOM 0 HG12 ILE A 95 13.288 -16.327 -9.795 1.00 2.04 H new ATOM 0 HG13 ILE A 95 11.951 -15.329 -9.259 1.00 2.04 H new ATOM 0 HG21 ILE A 95 15.090 -14.106 -10.877 1.00 2.50 H new ATOM 0 HG22 ILE A 95 15.911 -13.676 -9.357 1.00 2.50 H new ATOM 0 HG23 ILE A 95 15.660 -15.386 -9.780 1.00 2.50 H new ATOM 0 HD11 ILE A 95 11.899 -15.624 -11.706 1.00 2.52 H new ATOM 0 HD12 ILE A 95 12.173 -13.914 -11.293 1.00 2.52 H new ATOM 0 HD13 ILE A 95 13.531 -14.927 -11.837 1.00 2.52 H new ATOM 1572 N ARG A 96 14.968 -12.907 -6.214 1.00 1.55 N ATOM 1573 CA ARG A 96 16.062 -12.066 -5.696 1.00 1.77 C ATOM 1574 C ARG A 96 17.207 -11.885 -6.695 1.00 1.97 C ATOM 1575 O ARG A 96 18.354 -12.229 -6.413 1.00 2.39 O ATOM 1576 CB ARG A 96 16.541 -12.403 -4.268 1.00 2.29 C ATOM 1577 CG ARG A 96 16.679 -13.874 -3.831 1.00 1.80 C ATOM 1578 CD ARG A 96 18.060 -14.515 -4.043 1.00 2.82 C ATOM 1579 NE ARG A 96 18.122 -15.390 -5.220 1.00 4.25 N ATOM 1580 CZ ARG A 96 17.483 -16.560 -5.386 1.00 5.95 C ATOM 1581 NH1 ARG A 96 16.630 -16.987 -4.448 1.00 6.55 N ATOM 1582 NH2 ARG A 96 17.699 -17.305 -6.473 1.00 7.65 N ATOM 0 H ARG A 96 14.039 -12.553 -5.987 1.00 1.55 H new ATOM 0 HA ARG A 96 15.600 -11.086 -5.580 1.00 1.77 H new ATOM 0 HB2 ARG A 96 17.514 -11.931 -4.132 1.00 2.29 H new ATOM 0 HB3 ARG A 96 15.854 -11.921 -3.573 1.00 2.29 H new ATOM 0 HG2 ARG A 96 16.428 -13.943 -2.773 1.00 1.80 H new ATOM 0 HG3 ARG A 96 15.940 -14.464 -4.373 1.00 1.80 H new ATOM 0 HD2 ARG A 96 18.806 -13.727 -4.146 1.00 2.82 H new ATOM 0 HD3 ARG A 96 18.325 -15.091 -3.157 1.00 2.82 H new ATOM 0 HE ARG A 96 18.711 -15.077 -5.992 1.00 4.25 H new ATOM 0 HH11 ARG A 96 16.468 -16.425 -3.612 1.00 6.55 H new ATOM 0 HH12 ARG A 96 16.142 -17.874 -4.568 1.00 6.55 H new ATOM 0 HH21 ARG A 96 18.354 -16.987 -7.187 1.00 7.65 H new ATOM 0 HH22 ARG A 96 17.209 -18.192 -6.589 1.00 7.65 H new ATOM 1681 N GLU B 4 12.254 -14.957 -1.367 1.00 2.00 N ATOM 1682 CA GLU B 4 13.411 -14.069 -1.212 1.00 1.52 C ATOM 1683 C GLU B 4 13.164 -13.296 0.079 1.00 1.65 C ATOM 1684 O GLU B 4 12.070 -13.451 0.615 1.00 2.34 O ATOM 1685 CB GLU B 4 13.477 -13.154 -2.446 1.00 1.55 C ATOM 1686 CG GLU B 4 13.330 -11.630 -2.281 1.00 1.97 C ATOM 1687 CD GLU B 4 12.817 -10.994 -3.559 1.00 2.71 C ATOM 1688 OE1 GLU B 4 11.589 -11.053 -3.762 1.00 3.64 O ATOM 1689 OE2 GLU B 4 13.662 -10.481 -4.320 1.00 3.33 O ATOM 0 HA GLU B 4 14.366 -14.591 -1.147 1.00 1.52 H new ATOM 0 HB2 GLU B 4 14.434 -13.337 -2.935 1.00 1.55 H new ATOM 0 HB3 GLU B 4 12.699 -13.482 -3.135 1.00 1.55 H new ATOM 0 HG2 GLU B 4 12.644 -11.413 -1.462 1.00 1.97 H new ATOM 0 HG3 GLU B 4 14.293 -11.194 -2.014 1.00 1.97 H new ATOM 1696 N PRO B 5 14.062 -12.446 0.595 1.00 1.75 N ATOM 1697 CA PRO B 5 13.773 -11.680 1.803 1.00 2.20 C ATOM 1698 C PRO B 5 12.719 -10.568 1.595 1.00 2.25 C ATOM 1699 O PRO B 5 12.836 -9.487 2.174 1.00 2.63 O ATOM 1700 CB PRO B 5 15.136 -11.154 2.279 1.00 2.82 C ATOM 1701 CG PRO B 5 16.158 -12.040 1.555 1.00 2.49 C ATOM 1702 CD PRO B 5 15.457 -12.290 0.222 1.00 1.94 C ATOM 0 HA PRO B 5 13.303 -12.305 2.563 1.00 2.20 H new ATOM 0 HB2 PRO B 5 15.268 -10.103 2.023 1.00 2.82 H new ATOM 0 HB3 PRO B 5 15.237 -11.233 3.361 1.00 2.82 H new ATOM 0 HG2 PRO B 5 17.117 -11.538 1.426 1.00 2.49 H new ATOM 0 HG3 PRO B 5 16.353 -12.966 2.095 1.00 2.49 H new ATOM 0 HD2 PRO B 5 15.597 -11.457 -0.467 1.00 1.94 H new ATOM 0 HD3 PRO B 5 15.842 -13.182 -0.273 1.00 1.94 H new ATOM 1710 N LEU B 6 11.634 -10.849 0.857 1.00 2.13 N ATOM 1711 CA LEU B 6 10.522 -9.951 0.652 1.00 2.37 C ATOM 1712 C LEU B 6 9.679 -10.074 1.905 1.00 2.42 C ATOM 1713 O LEU B 6 8.805 -10.920 2.042 1.00 3.42 O ATOM 1714 CB LEU B 6 9.718 -10.242 -0.631 1.00 2.44 C ATOM 1715 CG LEU B 6 9.574 -11.661 -1.207 1.00 2.37 C ATOM 1716 CD1 LEU B 6 8.899 -12.683 -0.296 1.00 2.60 C ATOM 1717 CD2 LEU B 6 8.706 -11.547 -2.463 1.00 3.44 C ATOM 0 H LEU B 6 11.517 -11.741 0.377 1.00 2.13 H new ATOM 0 HA LEU B 6 10.874 -8.931 0.496 1.00 2.37 H new ATOM 0 HB2 LEU B 6 8.708 -9.871 -0.458 1.00 2.44 H new ATOM 0 HB3 LEU B 6 10.153 -9.627 -1.419 1.00 2.44 H new ATOM 0 HG LEU B 6 10.588 -12.024 -1.374 1.00 2.37 H new ATOM 0 HD11 LEU B 6 8.851 -13.647 -0.803 1.00 2.60 H new ATOM 0 HD12 LEU B 6 9.474 -12.785 0.625 1.00 2.60 H new ATOM 0 HD13 LEU B 6 7.890 -12.348 -0.058 1.00 2.60 H new ATOM 0 HD21 LEU B 6 8.577 -12.534 -2.907 1.00 3.44 H new ATOM 0 HD22 LEU B 6 7.731 -11.139 -2.196 1.00 3.44 H new ATOM 0 HD23 LEU B 6 9.191 -10.887 -3.182 1.00 3.44 H new ATOM 1729 N THR B 7 10.033 -9.223 2.854 1.00 1.47 N ATOM 1730 CA THR B 7 9.582 -9.315 4.221 1.00 1.28 C ATOM 1731 C THR B 7 8.180 -8.700 4.293 1.00 1.13 C ATOM 1732 O THR B 7 7.718 -8.115 3.315 1.00 1.30 O ATOM 1733 CB THR B 7 10.666 -8.602 5.044 1.00 1.19 C ATOM 1734 OG1 THR B 7 11.891 -9.288 4.849 1.00 1.64 O ATOM 1735 CG2 THR B 7 10.382 -8.537 6.542 1.00 1.22 C ATOM 0 H THR B 7 10.656 -8.433 2.685 1.00 1.47 H new ATOM 0 HA THR B 7 9.470 -10.324 4.618 1.00 1.28 H new ATOM 0 HB THR B 7 10.697 -7.571 4.693 1.00 1.19 H new ATOM 0 HG1 THR B 7 12.195 -9.159 3.926 1.00 1.64 H new ATOM 0 HG21 THR B 7 11.198 -8.018 7.045 1.00 1.22 H new ATOM 0 HG22 THR B 7 9.449 -7.999 6.713 1.00 1.22 H new ATOM 0 HG23 THR B 7 10.296 -9.548 6.940 1.00 1.22 H new ATOM 1743 N GLU B 8 7.498 -8.851 5.429 1.00 1.02 N ATOM 1744 CA GLU B 8 6.067 -8.669 5.646 1.00 1.08 C ATOM 1745 C GLU B 8 5.448 -7.481 4.882 1.00 1.23 C ATOM 1746 O GLU B 8 4.337 -7.592 4.364 1.00 1.44 O ATOM 1747 CB GLU B 8 5.818 -8.596 7.162 1.00 1.10 C ATOM 1748 CG GLU B 8 5.732 -9.977 7.851 1.00 1.62 C ATOM 1749 CD GLU B 8 6.989 -10.843 7.818 1.00 2.31 C ATOM 1750 OE1 GLU B 8 8.096 -10.314 7.563 1.00 3.06 O ATOM 1751 OE2 GLU B 8 6.888 -12.067 8.062 1.00 3.28 O ATOM 0 H GLU B 8 7.973 -9.126 6.289 1.00 1.02 H new ATOM 0 HA GLU B 8 5.549 -9.529 5.222 1.00 1.08 H new ATOM 0 HB2 GLU B 8 6.619 -8.020 7.624 1.00 1.10 H new ATOM 0 HB3 GLU B 8 4.890 -8.053 7.342 1.00 1.10 H new ATOM 0 HG2 GLU B 8 5.455 -9.820 8.893 1.00 1.62 H new ATOM 0 HG3 GLU B 8 4.921 -10.538 7.387 1.00 1.62 H new ATOM 1758 N LEU B 9 6.147 -6.343 4.772 1.00 1.28 N ATOM 1759 CA LEU B 9 5.641 -5.245 3.952 1.00 1.58 C ATOM 1760 C LEU B 9 5.819 -5.525 2.453 1.00 1.52 C ATOM 1761 O LEU B 9 4.851 -5.436 1.693 1.00 1.76 O ATOM 1762 CB LEU B 9 6.182 -3.873 4.383 1.00 1.90 C ATOM 1763 CG LEU B 9 7.657 -3.783 4.808 1.00 1.67 C ATOM 1764 CD1 LEU B 9 8.179 -2.382 4.465 1.00 2.96 C ATOM 1765 CD2 LEU B 9 7.798 -3.997 6.324 1.00 1.78 C ATOM 0 H LEU B 9 7.041 -6.165 5.229 1.00 1.28 H new ATOM 0 HA LEU B 9 4.567 -5.191 4.129 1.00 1.58 H new ATOM 0 HB2 LEU B 9 6.029 -3.179 3.557 1.00 1.90 H new ATOM 0 HB3 LEU B 9 5.572 -3.519 5.214 1.00 1.90 H new ATOM 0 HG LEU B 9 8.224 -4.553 4.285 1.00 1.67 H new ATOM 0 HD11 LEU B 9 9.225 -2.301 4.760 1.00 2.96 H new ATOM 0 HD12 LEU B 9 8.091 -2.214 3.392 1.00 2.96 H new ATOM 0 HD13 LEU B 9 7.592 -1.634 4.999 1.00 2.96 H new ATOM 0 HD21 LEU B 9 8.849 -3.930 6.605 1.00 1.78 H new ATOM 0 HD22 LEU B 9 7.231 -3.232 6.854 1.00 1.78 H new ATOM 0 HD23 LEU B 9 7.414 -4.982 6.590 1.00 1.78 H new ATOM 1777 N GLU B 10 7.036 -5.872 2.017 1.00 1.30 N ATOM 1778 CA GLU B 10 7.287 -6.217 0.620 1.00 1.25 C ATOM 1779 C GLU B 10 6.341 -7.315 0.140 1.00 1.20 C ATOM 1780 O GLU B 10 5.793 -7.203 -0.953 1.00 1.28 O ATOM 1781 CB GLU B 10 8.757 -6.577 0.375 1.00 1.14 C ATOM 1782 CG GLU B 10 9.104 -7.037 -1.059 1.00 1.43 C ATOM 1783 CD GLU B 10 8.893 -6.050 -2.198 1.00 2.08 C ATOM 1784 OE1 GLU B 10 7.970 -5.209 -2.146 1.00 3.40 O ATOM 1785 OE2 GLU B 10 9.598 -6.171 -3.226 1.00 2.52 O ATOM 0 H GLU B 10 7.861 -5.920 2.615 1.00 1.30 H new ATOM 0 HA GLU B 10 7.080 -5.329 0.023 1.00 1.25 H new ATOM 0 HB2 GLU B 10 9.370 -5.709 0.617 1.00 1.14 H new ATOM 0 HB3 GLU B 10 9.039 -7.369 1.069 1.00 1.14 H new ATOM 0 HG2 GLU B 10 10.151 -7.338 -1.068 1.00 1.43 H new ATOM 0 HG3 GLU B 10 8.514 -7.928 -1.276 1.00 1.43 H new ATOM 1792 N GLU B 11 6.101 -8.365 0.933 1.00 1.18 N ATOM 1793 CA GLU B 11 5.143 -9.367 0.472 1.00 1.27 C ATOM 1794 C GLU B 11 3.732 -8.787 0.268 1.00 1.24 C ATOM 1795 O GLU B 11 3.022 -9.220 -0.640 1.00 1.33 O ATOM 1796 CB GLU B 11 5.179 -10.668 1.278 1.00 1.42 C ATOM 1797 CG GLU B 11 4.997 -10.498 2.785 1.00 1.82 C ATOM 1798 CD GLU B 11 4.819 -11.844 3.484 1.00 2.31 C ATOM 1799 OE1 GLU B 11 5.204 -12.867 2.876 1.00 2.55 O ATOM 1800 OE2 GLU B 11 4.281 -11.823 4.610 1.00 3.79 O ATOM 0 H GLU B 11 6.529 -8.537 1.843 1.00 1.18 H new ATOM 0 HA GLU B 11 5.476 -9.665 -0.522 1.00 1.27 H new ATOM 0 HB2 GLU B 11 4.398 -11.331 0.905 1.00 1.42 H new ATOM 0 HB3 GLU B 11 6.132 -11.165 1.096 1.00 1.42 H new ATOM 0 HG2 GLU B 11 5.863 -9.983 3.201 1.00 1.82 H new ATOM 0 HG3 GLU B 11 4.128 -9.869 2.979 1.00 1.82 H new ATOM 1807 N SER B 12 3.323 -7.762 1.029 1.00 1.22 N ATOM 1808 CA SER B 12 2.042 -7.118 0.744 1.00 1.31 C ATOM 1809 C SER B 12 2.150 -6.401 -0.597 1.00 1.13 C ATOM 1810 O SER B 12 1.300 -6.547 -1.475 1.00 1.23 O ATOM 1811 CB SER B 12 1.636 -6.134 1.848 1.00 1.48 C ATOM 1812 OG SER B 12 0.314 -5.685 1.586 1.00 2.89 O ATOM 0 H SER B 12 3.841 -7.375 1.818 1.00 1.22 H new ATOM 0 HA SER B 12 1.266 -7.882 0.704 1.00 1.31 H new ATOM 0 HB2 SER B 12 1.686 -6.617 2.824 1.00 1.48 H new ATOM 0 HB3 SER B 12 2.325 -5.290 1.875 1.00 1.48 H new ATOM 0 HG SER B 12 -0.201 -5.678 2.420 1.00 2.89 H new ATOM 1818 N ILE B 13 3.227 -5.630 -0.767 1.00 0.97 N ATOM 1819 CA ILE B 13 3.457 -4.884 -1.989 1.00 0.89 C ATOM 1820 C ILE B 13 3.396 -5.810 -3.211 1.00 0.79 C ATOM 1821 O ILE B 13 2.693 -5.518 -4.183 1.00 0.76 O ATOM 1822 CB ILE B 13 4.793 -4.128 -1.887 1.00 0.92 C ATOM 1823 CG1 ILE B 13 4.687 -2.929 -0.939 1.00 1.19 C ATOM 1824 CG2 ILE B 13 5.295 -3.603 -3.234 1.00 0.80 C ATOM 1825 CD1 ILE B 13 5.998 -2.638 -0.242 1.00 1.05 C ATOM 0 H ILE B 13 3.955 -5.511 -0.062 1.00 0.97 H new ATOM 0 HA ILE B 13 2.667 -4.145 -2.122 1.00 0.89 H new ATOM 0 HB ILE B 13 5.501 -4.864 -1.506 1.00 0.92 H new ATOM 0 HG12 ILE B 13 4.373 -2.050 -1.501 1.00 1.19 H new ATOM 0 HG13 ILE B 13 3.916 -3.124 -0.194 1.00 1.19 H new ATOM 0 HG21 ILE B 13 6.241 -3.080 -3.091 1.00 0.80 H new ATOM 0 HG22 ILE B 13 5.442 -4.439 -3.918 1.00 0.80 H new ATOM 0 HG23 ILE B 13 4.560 -2.916 -3.653 1.00 0.80 H new ATOM 0 HD11 ILE B 13 5.876 -1.781 0.420 1.00 1.05 H new ATOM 0 HD12 ILE B 13 6.300 -3.507 0.342 1.00 1.05 H new ATOM 0 HD13 ILE B 13 6.764 -2.416 -0.985 1.00 1.05 H new ATOM 1837 N GLU B 14 4.149 -6.912 -3.186 1.00 0.82 N ATOM 1838 CA GLU B 14 4.197 -7.824 -4.314 1.00 0.90 C ATOM 1839 C GLU B 14 2.819 -8.462 -4.555 1.00 0.89 C ATOM 1840 O GLU B 14 2.391 -8.611 -5.699 1.00 0.94 O ATOM 1841 CB GLU B 14 5.380 -8.790 -4.214 1.00 1.17 C ATOM 1842 CG GLU B 14 5.200 -9.964 -3.250 1.00 1.39 C ATOM 1843 CD GLU B 14 5.011 -11.293 -3.960 1.00 2.19 C ATOM 1844 OE1 GLU B 14 5.757 -11.573 -4.926 1.00 3.14 O ATOM 1845 OE2 GLU B 14 4.185 -12.113 -3.507 1.00 3.11 O ATOM 0 H GLU B 14 4.731 -7.188 -2.395 1.00 0.82 H new ATOM 0 HA GLU B 14 4.405 -7.267 -5.228 1.00 0.90 H new ATOM 0 HB2 GLU B 14 5.585 -9.188 -5.208 1.00 1.17 H new ATOM 0 HB3 GLU B 14 6.261 -8.226 -3.909 1.00 1.17 H new ATOM 0 HG2 GLU B 14 6.071 -10.028 -2.598 1.00 1.39 H new ATOM 0 HG3 GLU B 14 4.337 -9.774 -2.612 1.00 1.39 H new ATOM 1852 N THR B 15 2.085 -8.752 -3.475 1.00 0.91 N ATOM 1853 CA THR B 15 0.702 -9.200 -3.564 1.00 1.01 C ATOM 1854 C THR B 15 -0.137 -8.168 -4.321 1.00 0.92 C ATOM 1855 O THR B 15 -0.751 -8.522 -5.322 1.00 1.02 O ATOM 1856 CB THR B 15 0.128 -9.563 -2.184 1.00 1.16 C ATOM 1857 OG1 THR B 15 0.895 -10.618 -1.642 1.00 1.34 O ATOM 1858 CG2 THR B 15 -1.322 -10.046 -2.278 1.00 1.35 C ATOM 0 H THR B 15 2.437 -8.681 -2.520 1.00 0.91 H new ATOM 0 HA THR B 15 0.667 -10.125 -4.139 1.00 1.01 H new ATOM 0 HB THR B 15 0.161 -8.669 -1.562 1.00 1.16 H new ATOM 0 HG1 THR B 15 1.754 -10.269 -1.325 1.00 1.34 H new ATOM 0 HG21 THR B 15 -1.689 -10.292 -1.282 1.00 1.35 H new ATOM 0 HG22 THR B 15 -1.941 -9.258 -2.708 1.00 1.35 H new ATOM 0 HG23 THR B 15 -1.370 -10.932 -2.911 1.00 1.35 H new ATOM 1866 N VAL B 16 -0.136 -6.894 -3.909 1.00 0.82 N ATOM 1867 CA VAL B 16 -0.892 -5.847 -4.586 1.00 0.76 C ATOM 1868 C VAL B 16 -0.621 -5.862 -6.094 1.00 0.76 C ATOM 1869 O VAL B 16 -1.554 -5.908 -6.896 1.00 0.77 O ATOM 1870 CB VAL B 16 -0.571 -4.477 -3.964 1.00 0.72 C ATOM 1871 CG1 VAL B 16 -1.116 -3.347 -4.836 1.00 0.69 C ATOM 1872 CG2 VAL B 16 -1.165 -4.338 -2.559 1.00 0.95 C ATOM 0 H VAL B 16 0.389 -6.566 -3.098 1.00 0.82 H new ATOM 0 HA VAL B 16 -1.956 -6.039 -4.450 1.00 0.76 H new ATOM 0 HB VAL B 16 0.515 -4.408 -3.898 1.00 0.72 H new ATOM 0 HG11 VAL B 16 -0.878 -2.387 -4.378 1.00 0.69 H new ATOM 0 HG12 VAL B 16 -0.662 -3.400 -5.825 1.00 0.69 H new ATOM 0 HG13 VAL B 16 -2.198 -3.447 -4.928 1.00 0.69 H new ATOM 0 HG21 VAL B 16 -0.916 -3.357 -2.154 1.00 0.95 H new ATOM 0 HG22 VAL B 16 -2.249 -4.445 -2.610 1.00 0.95 H new ATOM 0 HG23 VAL B 16 -0.754 -5.113 -1.912 1.00 0.95 H new ATOM 1882 N VAL B 17 0.652 -5.816 -6.499 1.00 0.80 N ATOM 1883 CA VAL B 17 0.959 -5.810 -7.926 1.00 0.91 C ATOM 1884 C VAL B 17 0.473 -7.094 -8.616 1.00 0.88 C ATOM 1885 O VAL B 17 -0.062 -7.027 -9.723 1.00 0.93 O ATOM 1886 CB VAL B 17 2.421 -5.444 -8.227 1.00 0.88 C ATOM 1887 CG1 VAL B 17 2.752 -4.037 -7.709 1.00 1.12 C ATOM 1888 CG2 VAL B 17 3.393 -6.442 -7.610 1.00 0.88 C ATOM 0 H VAL B 17 1.461 -5.783 -5.879 1.00 0.80 H new ATOM 0 HA VAL B 17 0.386 -4.998 -8.375 1.00 0.91 H new ATOM 0 HB VAL B 17 2.534 -5.471 -9.311 1.00 0.88 H new ATOM 0 HG11 VAL B 17 3.792 -3.802 -7.934 1.00 1.12 H new ATOM 0 HG12 VAL B 17 2.102 -3.309 -8.194 1.00 1.12 H new ATOM 0 HG13 VAL B 17 2.597 -4.000 -6.631 1.00 1.12 H new ATOM 0 HG21 VAL B 17 4.416 -6.147 -7.846 1.00 0.88 H new ATOM 0 HG22 VAL B 17 3.260 -6.458 -6.528 1.00 0.88 H new ATOM 0 HG23 VAL B 17 3.199 -7.436 -8.014 1.00 0.88 H new ATOM 1898 N THR B 18 0.596 -8.251 -7.954 1.00 0.87 N ATOM 1899 CA THR B 18 -0.012 -9.500 -8.408 1.00 0.92 C ATOM 1900 C THR B 18 -1.513 -9.304 -8.649 1.00 0.93 C ATOM 1901 O THR B 18 -2.046 -9.703 -9.686 1.00 0.99 O ATOM 1902 CB THR B 18 0.290 -10.634 -7.401 1.00 1.04 C ATOM 1903 OG1 THR B 18 1.291 -11.476 -7.936 1.00 1.40 O ATOM 1904 CG2 THR B 18 -0.919 -11.484 -6.991 1.00 1.42 C ATOM 0 H THR B 18 1.123 -8.344 -7.085 1.00 0.87 H new ATOM 0 HA THR B 18 0.424 -9.795 -9.362 1.00 0.92 H new ATOM 0 HB THR B 18 0.619 -10.136 -6.489 1.00 1.04 H new ATOM 0 HG1 THR B 18 1.487 -12.196 -7.300 1.00 1.40 H new ATOM 0 HG21 THR B 18 -0.602 -12.250 -6.284 1.00 1.42 H new ATOM 0 HG22 THR B 18 -1.670 -10.847 -6.524 1.00 1.42 H new ATOM 0 HG23 THR B 18 -1.346 -11.960 -7.874 1.00 1.42 H new ATOM 1912 N THR B 19 -2.210 -8.691 -7.695 1.00 0.94 N ATOM 1913 CA THR B 19 -3.652 -8.562 -7.727 1.00 0.98 C ATOM 1914 C THR B 19 -4.104 -7.813 -8.984 1.00 0.96 C ATOM 1915 O THR B 19 -5.126 -8.157 -9.570 1.00 1.03 O ATOM 1916 CB THR B 19 -4.110 -7.927 -6.413 1.00 1.03 C ATOM 1917 OG1 THR B 19 -3.627 -8.711 -5.342 1.00 1.09 O ATOM 1918 CG2 THR B 19 -5.627 -7.826 -6.292 1.00 1.10 C ATOM 0 H THR B 19 -1.779 -8.268 -6.873 1.00 0.94 H new ATOM 0 HA THR B 19 -4.132 -9.538 -7.799 1.00 0.98 H new ATOM 0 HB THR B 19 -3.713 -6.912 -6.389 1.00 1.03 H new ATOM 0 HG1 THR B 19 -2.670 -8.539 -5.216 1.00 1.09 H new ATOM 0 HG21 THR B 19 -5.886 -7.367 -5.338 1.00 1.10 H new ATOM 0 HG22 THR B 19 -6.017 -7.215 -7.106 1.00 1.10 H new ATOM 0 HG23 THR B 19 -6.063 -8.823 -6.345 1.00 1.10 H new ATOM 1926 N PHE B 20 -3.323 -6.836 -9.462 1.00 0.92 N ATOM 1927 CA PHE B 20 -3.603 -6.184 -10.740 1.00 0.95 C ATOM 1928 C PHE B 20 -3.687 -7.163 -11.914 1.00 1.06 C ATOM 1929 O PHE B 20 -4.440 -6.902 -12.858 1.00 1.22 O ATOM 1930 CB PHE B 20 -2.565 -5.111 -11.062 1.00 0.92 C ATOM 1931 CG PHE B 20 -2.463 -3.966 -10.077 1.00 0.70 C ATOM 1932 CD1 PHE B 20 -3.614 -3.343 -9.560 1.00 1.36 C ATOM 1933 CD2 PHE B 20 -1.196 -3.482 -9.720 1.00 1.66 C ATOM 1934 CE1 PHE B 20 -3.487 -2.284 -8.648 1.00 1.35 C ATOM 1935 CE2 PHE B 20 -1.072 -2.525 -8.701 1.00 1.75 C ATOM 1936 CZ PHE B 20 -2.218 -1.896 -8.188 1.00 0.90 C ATOM 0 H PHE B 20 -2.495 -6.483 -8.982 1.00 0.92 H new ATOM 0 HA PHE B 20 -4.583 -5.724 -10.616 1.00 0.95 H new ATOM 0 HB2 PHE B 20 -1.588 -5.589 -11.134 1.00 0.92 H new ATOM 0 HB3 PHE B 20 -2.792 -4.699 -12.045 1.00 0.92 H new ATOM 0 HD1 PHE B 20 -4.594 -3.679 -9.865 1.00 1.36 H new ATOM 0 HD2 PHE B 20 -0.316 -3.846 -10.229 1.00 1.66 H new ATOM 0 HE1 PHE B 20 -4.368 -1.766 -8.299 1.00 1.35 H new ATOM 0 HE2 PHE B 20 -0.097 -2.273 -8.312 1.00 1.75 H new ATOM 0 HZ PHE B 20 -2.124 -1.119 -7.444 1.00 0.90 H new ATOM 1946 N PHE B 21 -2.913 -8.256 -11.884 1.00 1.06 N ATOM 1947 CA PHE B 21 -3.042 -9.314 -12.875 1.00 1.22 C ATOM 1948 C PHE B 21 -4.358 -10.034 -12.603 1.00 1.23 C ATOM 1949 O PHE B 21 -5.259 -10.000 -13.439 1.00 1.49 O ATOM 1950 CB PHE B 21 -1.876 -10.324 -12.833 1.00 1.36 C ATOM 1951 CG PHE B 21 -0.530 -9.865 -13.370 1.00 1.93 C ATOM 1952 CD1 PHE B 21 0.101 -8.719 -12.849 1.00 3.62 C ATOM 1953 CD2 PHE B 21 0.178 -10.693 -14.265 1.00 2.58 C ATOM 1954 CE1 PHE B 21 1.370 -8.335 -13.316 1.00 5.07 C ATOM 1955 CE2 PHE B 21 1.453 -10.317 -14.723 1.00 3.57 C ATOM 1956 CZ PHE B 21 2.032 -9.116 -14.278 1.00 4.73 C ATOM 0 H PHE B 21 -2.193 -8.424 -11.181 1.00 1.06 H new ATOM 0 HA PHE B 21 -3.021 -8.866 -13.868 1.00 1.22 H new ATOM 0 HB2 PHE B 21 -1.737 -10.634 -11.797 1.00 1.36 H new ATOM 0 HB3 PHE B 21 -2.177 -11.209 -13.393 1.00 1.36 H new ATOM 0 HD1 PHE B 21 -0.392 -8.133 -12.088 1.00 3.62 H new ATOM 0 HD2 PHE B 21 -0.261 -11.621 -14.600 1.00 2.58 H new ATOM 0 HE1 PHE B 21 1.837 -7.439 -12.935 1.00 5.07 H new ATOM 0 HE2 PHE B 21 1.987 -10.950 -15.416 1.00 3.57 H new ATOM 0 HZ PHE B 21 2.984 -8.794 -14.675 1.00 4.73 H new ATOM 1966 N THR B 22 -4.501 -10.648 -11.427 1.00 1.23 N ATOM 1967 CA THR B 22 -5.678 -11.469 -11.159 1.00 1.46 C ATOM 1968 C THR B 22 -6.826 -10.605 -10.624 1.00 1.39 C ATOM 1969 O THR B 22 -7.488 -10.968 -9.654 1.00 1.81 O ATOM 1970 CB THR B 22 -5.299 -12.633 -10.219 1.00 1.92 C ATOM 1971 OG1 THR B 22 -6.434 -13.427 -9.954 1.00 3.20 O ATOM 1972 CG2 THR B 22 -4.686 -12.198 -8.881 1.00 2.37 C ATOM 0 H THR B 22 -3.830 -10.594 -10.660 1.00 1.23 H new ATOM 0 HA THR B 22 -6.041 -11.914 -12.086 1.00 1.46 H new ATOM 0 HB THR B 22 -4.530 -13.193 -10.751 1.00 1.92 H new ATOM 0 HG1 THR B 22 -7.178 -12.852 -9.678 1.00 3.20 H new ATOM 0 HG21 THR B 22 -4.451 -13.080 -8.285 1.00 2.37 H new ATOM 0 HG22 THR B 22 -3.774 -11.631 -9.066 1.00 2.37 H new ATOM 0 HG23 THR B 22 -5.398 -11.574 -8.341 1.00 2.37 H new ATOM 2097 N LYS B 30 -2.400 -2.992 -18.203 1.00 1.97 N ATOM 2098 CA LYS B 30 -1.259 -2.087 -18.176 1.00 1.96 C ATOM 2099 C LYS B 30 -0.817 -1.949 -16.719 1.00 1.59 C ATOM 2100 O LYS B 30 0.174 -2.548 -16.311 1.00 2.24 O ATOM 2101 CB LYS B 30 -1.600 -0.756 -18.864 1.00 2.80 C ATOM 2102 CG LYS B 30 -0.311 -0.063 -19.337 1.00 4.18 C ATOM 2103 CD LYS B 30 -0.614 1.146 -20.230 1.00 4.98 C ATOM 2104 CE LYS B 30 -1.020 2.367 -19.398 1.00 5.39 C ATOM 2105 NZ LYS B 30 -1.612 3.422 -20.241 1.00 5.86 N ATOM 0 HA LYS B 30 -0.418 -2.480 -18.747 1.00 1.96 H new ATOM 0 HB2 LYS B 30 -2.259 -0.935 -19.713 1.00 2.80 H new ATOM 0 HB3 LYS B 30 -2.139 -0.108 -18.173 1.00 2.80 H new ATOM 0 HG2 LYS B 30 0.268 0.259 -18.471 1.00 4.18 H new ATOM 0 HG3 LYS B 30 0.305 -0.775 -19.885 1.00 4.18 H new ATOM 0 HD2 LYS B 30 0.264 1.387 -20.829 1.00 4.98 H new ATOM 0 HD3 LYS B 30 -1.415 0.895 -20.926 1.00 4.98 H new ATOM 0 HE2 LYS B 30 -1.736 2.066 -18.633 1.00 5.39 H new ATOM 0 HE3 LYS B 30 -0.147 2.762 -18.879 1.00 5.39 H new ATOM 0 HZ1 LYS B 30 -1.829 4.254 -19.655 1.00 5.86 H new ATOM 0 HZ2 LYS B 30 -0.938 3.690 -20.986 1.00 5.86 H new ATOM 0 HZ3 LYS B 30 -2.487 3.068 -20.677 1.00 5.86 H new ATOM 2119 N ASP B 31 -1.620 -1.218 -15.941 1.00 1.26 N ATOM 2120 CA ASP B 31 -1.464 -1.043 -14.508 1.00 1.11 C ATOM 2121 C ASP B 31 -2.654 -1.718 -13.823 1.00 1.09 C ATOM 2122 O ASP B 31 -2.650 -2.922 -13.588 1.00 1.62 O ATOM 2123 CB ASP B 31 -1.428 0.457 -14.155 1.00 1.63 C ATOM 2124 CG ASP B 31 -0.074 1.123 -14.316 1.00 2.18 C ATOM 2125 OD1 ASP B 31 0.399 1.206 -15.468 1.00 2.34 O ATOM 2126 OD2 ASP B 31 0.415 1.607 -13.270 1.00 3.49 O ATOM 0 H ASP B 31 -2.426 -0.715 -16.314 1.00 1.26 H new ATOM 0 HA ASP B 31 -0.528 -1.490 -14.171 1.00 1.11 H new ATOM 0 HB2 ASP B 31 -2.150 0.980 -14.783 1.00 1.63 H new ATOM 0 HB3 ASP B 31 -1.756 0.580 -13.123 1.00 1.63 H new ATOM 2131 N SER B 32 -3.665 -0.915 -13.491 1.00 1.05 N ATOM 2132 CA SER B 32 -4.615 -1.158 -12.423 1.00 1.12 C ATOM 2133 C SER B 32 -6.018 -1.349 -13.016 1.00 1.46 C ATOM 2134 O SER B 32 -6.251 -2.284 -13.792 1.00 2.14 O ATOM 2135 CB SER B 32 -4.491 0.050 -11.468 1.00 1.03 C ATOM 2136 OG SER B 32 -5.385 -0.034 -10.379 1.00 1.83 O ATOM 0 H SER B 32 -3.846 -0.041 -13.985 1.00 1.05 H new ATOM 0 HA SER B 32 -4.417 -2.072 -11.864 1.00 1.12 H new ATOM 0 HB2 SER B 32 -3.469 0.110 -11.093 1.00 1.03 H new ATOM 0 HB3 SER B 32 -4.682 0.969 -12.022 1.00 1.03 H new ATOM 0 HG SER B 32 -5.032 -0.661 -9.714 1.00 1.83 H new ATOM 2142 N LEU B 33 -6.943 -0.472 -12.621 1.00 1.10 N ATOM 2143 CA LEU B 33 -8.269 -0.266 -13.182 1.00 1.08 C ATOM 2144 C LEU B 33 -8.279 1.102 -13.873 1.00 0.96 C ATOM 2145 O LEU B 33 -7.227 1.708 -14.072 1.00 1.10 O ATOM 2146 CB LEU B 33 -9.309 -0.259 -12.044 1.00 1.05 C ATOM 2147 CG LEU B 33 -9.362 -1.458 -11.091 1.00 1.44 C ATOM 2148 CD1 LEU B 33 -9.364 -2.798 -11.827 1.00 1.95 C ATOM 2149 CD2 LEU B 33 -8.249 -1.413 -10.047 1.00 1.68 C ATOM 0 H LEU B 33 -6.765 0.159 -11.840 1.00 1.10 H new ATOM 0 HA LEU B 33 -8.511 -1.060 -13.889 1.00 1.08 H new ATOM 0 HB2 LEU B 33 -9.136 0.634 -11.443 1.00 1.05 H new ATOM 0 HB3 LEU B 33 -10.295 -0.152 -12.497 1.00 1.05 H new ATOM 0 HG LEU B 33 -10.314 -1.377 -10.567 1.00 1.44 H new ATOM 0 HD11 LEU B 33 -9.402 -3.611 -11.102 1.00 1.95 H new ATOM 0 HD12 LEU B 33 -10.235 -2.853 -12.480 1.00 1.95 H new ATOM 0 HD13 LEU B 33 -8.456 -2.887 -12.424 1.00 1.95 H new ATOM 0 HD21 LEU B 33 -8.327 -2.282 -9.394 1.00 1.68 H new ATOM 0 HD22 LEU B 33 -7.281 -1.420 -10.547 1.00 1.68 H new ATOM 0 HD23 LEU B 33 -8.344 -0.504 -9.453 1.00 1.68 H new ATOM 2161 N SER B 34 -9.469 1.615 -14.172 1.00 0.88 N ATOM 2162 CA SER B 34 -9.740 3.027 -14.433 1.00 0.83 C ATOM 2163 C SER B 34 -9.970 3.734 -13.088 1.00 0.72 C ATOM 2164 O SER B 34 -10.189 3.053 -12.086 1.00 0.71 O ATOM 2165 CB SER B 34 -10.958 3.150 -15.360 1.00 0.92 C ATOM 2166 OG SER B 34 -10.968 2.100 -16.312 1.00 1.97 O ATOM 0 H SER B 34 -10.305 1.035 -14.242 1.00 0.88 H new ATOM 0 HA SER B 34 -8.896 3.502 -14.934 1.00 0.83 H new ATOM 0 HB2 SER B 34 -11.875 3.123 -14.771 1.00 0.92 H new ATOM 0 HB3 SER B 34 -10.937 4.112 -15.872 1.00 0.92 H new ATOM 0 HG SER B 34 -11.345 1.292 -15.904 1.00 1.97 H new ATOM 2172 N VAL B 35 -9.925 5.070 -13.010 1.00 0.72 N ATOM 2173 CA VAL B 35 -10.073 5.721 -11.700 1.00 0.69 C ATOM 2174 C VAL B 35 -11.490 5.521 -11.147 1.00 0.79 C ATOM 2175 O VAL B 35 -11.660 5.094 -10.001 1.00 0.81 O ATOM 2176 CB VAL B 35 -9.739 7.220 -11.729 1.00 0.76 C ATOM 2177 CG1 VAL B 35 -9.413 7.721 -10.316 1.00 0.85 C ATOM 2178 CG2 VAL B 35 -8.561 7.589 -12.638 1.00 0.85 C ATOM 0 H VAL B 35 -9.793 5.700 -13.801 1.00 0.72 H new ATOM 0 HA VAL B 35 -9.349 5.239 -11.043 1.00 0.69 H new ATOM 0 HB VAL B 35 -10.631 7.697 -12.134 1.00 0.76 H new ATOM 0 HG11 VAL B 35 -9.178 8.785 -10.352 1.00 0.85 H new ATOM 0 HG12 VAL B 35 -10.273 7.561 -9.666 1.00 0.85 H new ATOM 0 HG13 VAL B 35 -8.556 7.173 -9.925 1.00 0.85 H new ATOM 0 HG21 VAL B 35 -8.394 8.665 -12.599 1.00 0.85 H new ATOM 0 HG22 VAL B 35 -7.664 7.070 -12.300 1.00 0.85 H new ATOM 0 HG23 VAL B 35 -8.786 7.294 -13.663 1.00 0.85 H new ATOM 2188 N ASN B 36 -12.508 5.853 -11.953 1.00 0.94 N ATOM 2189 CA ASN B 36 -13.908 5.650 -11.561 1.00 1.18 C ATOM 2190 C ASN B 36 -14.099 4.194 -11.106 1.00 1.08 C ATOM 2191 O ASN B 36 -14.481 3.937 -9.965 1.00 1.07 O ATOM 2192 CB ASN B 36 -14.918 5.997 -12.678 1.00 1.53 C ATOM 2193 CG ASN B 36 -14.450 5.685 -14.102 1.00 3.69 C ATOM 2194 OD1 ASN B 36 -13.854 4.644 -14.357 1.00 5.09 O ATOM 2195 ND2 ASN B 36 -14.690 6.583 -15.047 1.00 4.36 N ATOM 0 H ASN B 36 -12.388 6.263 -12.879 1.00 0.94 H new ATOM 0 HA ASN B 36 -14.116 6.339 -10.742 1.00 1.18 H new ATOM 0 HB2 ASN B 36 -15.844 5.453 -12.490 1.00 1.53 H new ATOM 0 HB3 ASN B 36 -15.154 7.059 -12.615 1.00 1.53 H new ATOM 0 HD21 ASN B 36 -14.378 6.413 -16.003 1.00 4.36 H new ATOM 0 HD22 ASN B 36 -15.187 7.444 -14.818 1.00 4.36 H new ATOM 2202 N GLU B 37 -13.787 3.260 -12.010 1.00 1.07 N ATOM 2203 CA GLU B 37 -13.826 1.818 -11.831 1.00 1.07 C ATOM 2204 C GLU B 37 -13.212 1.451 -10.481 1.00 0.92 C ATOM 2205 O GLU B 37 -13.897 0.898 -9.626 1.00 0.96 O ATOM 2206 CB GLU B 37 -13.076 1.183 -13.011 1.00 1.16 C ATOM 2207 CG GLU B 37 -13.048 -0.353 -13.041 1.00 1.53 C ATOM 2208 CD GLU B 37 -12.136 -0.883 -14.148 1.00 2.59 C ATOM 2209 OE1 GLU B 37 -11.471 -0.039 -14.792 1.00 3.13 O ATOM 2210 OE2 GLU B 37 -12.055 -2.121 -14.286 1.00 3.56 O ATOM 0 H GLU B 37 -13.480 3.517 -12.948 1.00 1.07 H new ATOM 0 HA GLU B 37 -14.849 1.441 -11.822 1.00 1.07 H new ATOM 0 HB2 GLU B 37 -13.529 1.537 -13.937 1.00 1.16 H new ATOM 0 HB3 GLU B 37 -12.048 1.546 -13.000 1.00 1.16 H new ATOM 0 HG2 GLU B 37 -12.706 -0.729 -12.077 1.00 1.53 H new ATOM 0 HG3 GLU B 37 -14.059 -0.732 -13.190 1.00 1.53 H new ATOM 2217 N PHE B 38 -11.936 1.797 -10.277 1.00 0.78 N ATOM 2218 CA PHE B 38 -11.220 1.587 -9.026 1.00 0.66 C ATOM 2219 C PHE B 38 -12.082 1.950 -7.825 1.00 0.71 C ATOM 2220 O PHE B 38 -12.283 1.105 -6.957 1.00 0.75 O ATOM 2221 CB PHE B 38 -9.920 2.396 -9.014 1.00 0.60 C ATOM 2222 CG PHE B 38 -9.359 2.700 -7.636 1.00 0.82 C ATOM 2223 CD1 PHE B 38 -8.557 1.755 -6.974 1.00 1.50 C ATOM 2224 CD2 PHE B 38 -9.583 3.961 -7.048 1.00 2.06 C ATOM 2225 CE1 PHE B 38 -7.940 2.089 -5.758 1.00 1.64 C ATOM 2226 CE2 PHE B 38 -9.036 4.257 -5.788 1.00 2.36 C ATOM 2227 CZ PHE B 38 -8.193 3.331 -5.153 1.00 1.56 C ATOM 0 H PHE B 38 -11.365 2.240 -10.997 1.00 0.78 H new ATOM 0 HA PHE B 38 -10.977 0.527 -8.954 1.00 0.66 H new ATOM 0 HB2 PHE B 38 -9.167 1.851 -9.583 1.00 0.60 H new ATOM 0 HB3 PHE B 38 -10.093 3.338 -9.534 1.00 0.60 H new ATOM 0 HD1 PHE B 38 -8.415 0.773 -7.400 1.00 1.50 H new ATOM 0 HD2 PHE B 38 -10.176 4.700 -7.566 1.00 2.06 H new ATOM 0 HE1 PHE B 38 -7.268 1.388 -5.286 1.00 1.64 H new ATOM 0 HE2 PHE B 38 -9.264 5.197 -5.308 1.00 2.36 H new ATOM 0 HZ PHE B 38 -7.741 3.573 -4.203 1.00 1.56 H new ATOM 2237 N LYS B 39 -12.575 3.194 -7.764 1.00 0.76 N ATOM 2238 CA LYS B 39 -13.310 3.658 -6.594 1.00 0.81 C ATOM 2239 C LYS B 39 -14.445 2.684 -6.263 1.00 0.89 C ATOM 2240 O LYS B 39 -14.678 2.372 -5.094 1.00 0.97 O ATOM 2241 CB LYS B 39 -13.832 5.088 -6.811 1.00 0.96 C ATOM 2242 CG LYS B 39 -14.464 5.672 -5.538 1.00 0.85 C ATOM 2243 CD LYS B 39 -15.991 5.491 -5.538 1.00 1.41 C ATOM 2244 CE LYS B 39 -16.579 5.813 -4.160 1.00 2.18 C ATOM 2245 NZ LYS B 39 -18.030 5.540 -4.111 1.00 3.26 N ATOM 0 H LYS B 39 -12.477 3.887 -8.506 1.00 0.76 H new ATOM 0 HA LYS B 39 -12.634 3.686 -5.740 1.00 0.81 H new ATOM 0 HB2 LYS B 39 -13.011 5.728 -7.134 1.00 0.96 H new ATOM 0 HB3 LYS B 39 -14.570 5.086 -7.614 1.00 0.96 H new ATOM 0 HG2 LYS B 39 -14.038 5.184 -4.661 1.00 0.85 H new ATOM 0 HG3 LYS B 39 -14.221 6.732 -5.462 1.00 0.85 H new ATOM 0 HD2 LYS B 39 -16.438 6.141 -6.290 1.00 1.41 H new ATOM 0 HD3 LYS B 39 -16.240 4.466 -5.814 1.00 1.41 H new ATOM 0 HE2 LYS B 39 -16.071 5.220 -3.399 1.00 2.18 H new ATOM 0 HE3 LYS B 39 -16.397 6.861 -3.922 1.00 2.18 H new ATOM 0 HZ1 LYS B 39 -18.395 5.769 -3.164 1.00 3.26 H new ATOM 0 HZ2 LYS B 39 -18.517 6.124 -4.820 1.00 3.26 H new ATOM 0 HZ3 LYS B 39 -18.201 4.534 -4.314 1.00 3.26 H new ATOM 2259 N GLU B 40 -15.162 2.222 -7.288 1.00 0.95 N ATOM 2260 CA GLU B 40 -16.263 1.291 -7.114 1.00 1.04 C ATOM 2261 C GLU B 40 -15.749 -0.104 -6.729 1.00 0.96 C ATOM 2262 O GLU B 40 -16.213 -0.691 -5.753 1.00 1.02 O ATOM 2263 CB GLU B 40 -17.164 1.314 -8.352 1.00 1.18 C ATOM 2264 CG GLU B 40 -17.656 2.755 -8.577 1.00 1.28 C ATOM 2265 CD GLU B 40 -18.886 2.819 -9.470 1.00 1.69 C ATOM 2266 OE1 GLU B 40 -18.866 2.144 -10.520 1.00 2.41 O ATOM 2267 OE2 GLU B 40 -19.821 3.547 -9.073 1.00 2.26 O ATOM 0 H GLU B 40 -14.991 2.486 -8.258 1.00 0.95 H new ATOM 0 HA GLU B 40 -16.887 1.603 -6.276 1.00 1.04 H new ATOM 0 HB2 GLU B 40 -16.615 0.961 -9.225 1.00 1.18 H new ATOM 0 HB3 GLU B 40 -18.011 0.642 -8.215 1.00 1.18 H new ATOM 0 HG2 GLU B 40 -17.886 3.211 -7.614 1.00 1.28 H new ATOM 0 HG3 GLU B 40 -16.855 3.343 -9.025 1.00 1.28 H new ATOM 2274 N LEU B 41 -14.763 -0.635 -7.452 1.00 0.89 N ATOM 2275 CA LEU B 41 -14.246 -1.965 -7.174 1.00 0.88 C ATOM 2276 C LEU B 41 -13.676 -2.063 -5.755 1.00 0.80 C ATOM 2277 O LEU B 41 -14.035 -2.992 -5.033 1.00 0.84 O ATOM 2278 CB LEU B 41 -13.252 -2.437 -8.244 1.00 1.02 C ATOM 2279 CG LEU B 41 -13.824 -2.509 -9.674 1.00 1.50 C ATOM 2280 CD1 LEU B 41 -12.900 -3.359 -10.552 1.00 2.37 C ATOM 2281 CD2 LEU B 41 -15.237 -3.099 -9.748 1.00 2.56 C ATOM 0 H LEU B 41 -14.310 -0.161 -8.233 1.00 0.89 H new ATOM 0 HA LEU B 41 -15.089 -2.655 -7.222 1.00 0.88 H new ATOM 0 HB2 LEU B 41 -12.394 -1.764 -8.245 1.00 1.02 H new ATOM 0 HB3 LEU B 41 -12.882 -3.424 -7.966 1.00 1.02 H new ATOM 0 HG LEU B 41 -13.884 -1.479 -10.027 1.00 1.50 H new ATOM 0 HD11 LEU B 41 -13.304 -3.410 -11.563 1.00 2.37 H new ATOM 0 HD12 LEU B 41 -11.908 -2.908 -10.580 1.00 2.37 H new ATOM 0 HD13 LEU B 41 -12.829 -4.365 -10.138 1.00 2.37 H new ATOM 0 HD21 LEU B 41 -15.570 -3.116 -10.786 1.00 2.56 H new ATOM 0 HD22 LEU B 41 -15.228 -4.115 -9.352 1.00 2.56 H new ATOM 0 HD23 LEU B 41 -15.919 -2.486 -9.158 1.00 2.56 H new ATOM 2293 N VAL B 42 -12.849 -1.108 -5.302 1.00 0.76 N ATOM 2294 CA VAL B 42 -12.342 -1.160 -3.930 1.00 0.75 C ATOM 2295 C VAL B 42 -13.513 -1.229 -2.939 1.00 0.88 C ATOM 2296 O VAL B 42 -13.493 -2.065 -2.042 1.00 0.91 O ATOM 2297 CB VAL B 42 -11.295 -0.071 -3.598 1.00 0.74 C ATOM 2298 CG1 VAL B 42 -10.143 -0.110 -4.605 1.00 1.56 C ATOM 2299 CG2 VAL B 42 -11.870 1.346 -3.522 1.00 1.74 C ATOM 0 H VAL B 42 -12.526 -0.312 -5.852 1.00 0.76 H new ATOM 0 HA VAL B 42 -11.769 -2.081 -3.827 1.00 0.75 H new ATOM 0 HB VAL B 42 -10.931 -0.309 -2.599 1.00 0.74 H new ATOM 0 HG11 VAL B 42 -9.416 0.663 -4.356 1.00 1.56 H new ATOM 0 HG12 VAL B 42 -9.661 -1.087 -4.569 1.00 1.56 H new ATOM 0 HG13 VAL B 42 -10.531 0.066 -5.608 1.00 1.56 H new ATOM 0 HG21 VAL B 42 -11.072 2.050 -3.285 1.00 1.74 H new ATOM 0 HG22 VAL B 42 -12.314 1.610 -4.482 1.00 1.74 H new ATOM 0 HG23 VAL B 42 -12.633 1.388 -2.745 1.00 1.74 H new ATOM 2309 N THR B 43 -14.581 -0.434 -3.111 1.00 1.05 N ATOM 2310 CA THR B 43 -15.705 -0.535 -2.180 1.00 1.23 C ATOM 2311 C THR B 43 -16.454 -1.870 -2.264 1.00 1.34 C ATOM 2312 O THR B 43 -17.162 -2.203 -1.315 1.00 1.62 O ATOM 2313 CB THR B 43 -16.639 0.690 -2.181 1.00 1.29 C ATOM 2314 OG1 THR B 43 -17.595 0.584 -1.142 1.00 2.07 O ATOM 2315 CG2 THR B 43 -17.407 0.893 -3.479 1.00 1.52 C ATOM 0 H THR B 43 -14.686 0.257 -3.854 1.00 1.05 H new ATOM 0 HA THR B 43 -15.240 -0.526 -1.194 1.00 1.23 H new ATOM 0 HB THR B 43 -15.975 1.543 -2.044 1.00 1.29 H new ATOM 0 HG1 THR B 43 -17.686 -0.355 -0.876 1.00 2.07 H new ATOM 0 HG21 THR B 43 -18.040 1.776 -3.393 1.00 1.52 H new ATOM 0 HG22 THR B 43 -16.704 1.029 -4.301 1.00 1.52 H new ATOM 0 HG23 THR B 43 -18.029 0.019 -3.674 1.00 1.52 H new ATOM 2323 N GLN B 44 -16.330 -2.627 -3.358 1.00 1.26 N ATOM 2324 CA GLN B 44 -16.862 -3.984 -3.424 1.00 1.34 C ATOM 2325 C GLN B 44 -15.920 -4.938 -2.683 1.00 1.24 C ATOM 2326 O GLN B 44 -16.356 -5.724 -1.847 1.00 1.27 O ATOM 2327 CB GLN B 44 -17.061 -4.410 -4.885 1.00 1.40 C ATOM 2328 CG GLN B 44 -18.152 -3.569 -5.562 1.00 1.76 C ATOM 2329 CD GLN B 44 -18.193 -3.801 -7.068 1.00 2.58 C ATOM 2330 OE1 GLN B 44 -18.088 -2.865 -7.850 1.00 3.68 O ATOM 2331 NE2 GLN B 44 -18.347 -5.052 -7.493 1.00 3.15 N ATOM 0 H GLN B 44 -15.864 -2.318 -4.211 1.00 1.26 H new ATOM 0 HA GLN B 44 -17.837 -4.018 -2.939 1.00 1.34 H new ATOM 0 HB2 GLN B 44 -16.123 -4.301 -5.430 1.00 1.40 H new ATOM 0 HB3 GLN B 44 -17.333 -5.465 -4.926 1.00 1.40 H new ATOM 0 HG2 GLN B 44 -19.122 -3.816 -5.130 1.00 1.76 H new ATOM 0 HG3 GLN B 44 -17.973 -2.513 -5.362 1.00 1.76 H new ATOM 0 HE21 GLN B 44 -18.432 -5.813 -6.819 1.00 3.15 H new ATOM 0 HE22 GLN B 44 -18.380 -5.250 -8.493 1.00 3.15 H new ATOM 2340 N GLN B 45 -14.623 -4.863 -2.990 1.00 1.15 N ATOM 2341 CA GLN B 45 -13.584 -5.657 -2.344 1.00 1.03 C ATOM 2342 C GLN B 45 -13.548 -5.467 -0.838 1.00 1.02 C ATOM 2343 O GLN B 45 -13.189 -6.416 -0.141 1.00 1.04 O ATOM 2344 CB GLN B 45 -12.208 -5.274 -2.881 1.00 0.91 C ATOM 2345 CG GLN B 45 -11.765 -6.098 -4.084 1.00 0.84 C ATOM 2346 CD GLN B 45 -12.450 -5.659 -5.372 1.00 1.14 C ATOM 2347 OE1 GLN B 45 -11.895 -4.879 -6.136 1.00 2.05 O ATOM 2348 NE2 GLN B 45 -13.658 -6.153 -5.626 1.00 1.47 N ATOM 0 H GLN B 45 -14.262 -4.236 -3.709 1.00 1.15 H new ATOM 0 HA GLN B 45 -13.825 -6.697 -2.567 1.00 1.03 H new ATOM 0 HB2 GLN B 45 -12.217 -4.220 -3.158 1.00 0.91 H new ATOM 0 HB3 GLN B 45 -11.473 -5.388 -2.084 1.00 0.91 H new ATOM 0 HG2 GLN B 45 -10.685 -6.012 -4.202 1.00 0.84 H new ATOM 0 HG3 GLN B 45 -11.982 -7.150 -3.900 1.00 0.84 H new ATOM 0 HE21 GLN B 45 -14.093 -6.801 -4.969 1.00 1.47 H new ATOM 0 HE22 GLN B 45 -14.150 -5.884 -6.478 1.00 1.47 H new ATOM 2357 N LEU B 46 -13.821 -4.250 -0.362 1.00 1.00 N ATOM 2358 CA LEU B 46 -13.754 -3.907 1.047 1.00 0.97 C ATOM 2359 C LEU B 46 -15.146 -3.867 1.690 1.00 0.99 C ATOM 2360 O LEU B 46 -15.653 -2.782 1.973 1.00 1.13 O ATOM 2361 CB LEU B 46 -12.969 -2.599 1.254 1.00 0.99 C ATOM 2362 CG LEU B 46 -11.447 -2.694 1.022 1.00 1.04 C ATOM 2363 CD1 LEU B 46 -11.012 -2.234 -0.370 1.00 1.33 C ATOM 2364 CD2 LEU B 46 -10.710 -1.851 2.068 1.00 1.39 C ATOM 0 H LEU B 46 -14.098 -3.470 -0.958 1.00 1.00 H new ATOM 0 HA LEU B 46 -13.206 -4.696 1.562 1.00 0.97 H new ATOM 0 HB2 LEU B 46 -13.375 -1.842 0.583 1.00 0.99 H new ATOM 0 HB3 LEU B 46 -13.143 -2.249 2.271 1.00 0.99 H new ATOM 0 HG LEU B 46 -11.191 -3.750 1.111 1.00 1.04 H new ATOM 0 HD11 LEU B 46 -9.930 -2.328 -0.463 1.00 1.33 H new ATOM 0 HD12 LEU B 46 -11.496 -2.853 -1.125 1.00 1.33 H new ATOM 0 HD13 LEU B 46 -11.299 -1.193 -0.515 1.00 1.33 H new ATOM 0 HD21 LEU B 46 -9.635 -1.921 1.900 1.00 1.39 H new ATOM 0 HD22 LEU B 46 -11.023 -0.810 1.983 1.00 1.39 H new ATOM 0 HD23 LEU B 46 -10.946 -2.221 3.066 1.00 1.39 H new ATOM 2376 N PRO B 47 -15.789 -5.011 1.981 1.00 0.93 N ATOM 2377 CA PRO B 47 -17.064 -5.018 2.675 1.00 0.91 C ATOM 2378 C PRO B 47 -16.967 -4.491 4.112 1.00 0.87 C ATOM 2379 O PRO B 47 -18.024 -4.296 4.716 1.00 1.04 O ATOM 2380 CB PRO B 47 -17.554 -6.469 2.634 1.00 1.00 C ATOM 2381 CG PRO B 47 -16.253 -7.262 2.577 1.00 0.94 C ATOM 2382 CD PRO B 47 -15.370 -6.377 1.708 1.00 0.91 C ATOM 0 HA PRO B 47 -17.766 -4.342 2.187 1.00 0.91 H new ATOM 0 HB2 PRO B 47 -18.144 -6.722 3.515 1.00 1.00 H new ATOM 0 HB3 PRO B 47 -18.183 -6.659 1.764 1.00 1.00 H new ATOM 0 HG2 PRO B 47 -15.826 -7.414 3.568 1.00 0.94 H new ATOM 0 HG3 PRO B 47 -16.397 -8.249 2.137 1.00 0.94 H new ATOM 0 HD2 PRO B 47 -14.316 -6.519 1.949 1.00 0.91 H new ATOM 0 HD3 PRO B 47 -15.491 -6.620 0.652 1.00 0.91 H new ATOM 2390 N HIS B 48 -15.760 -4.263 4.665 1.00 1.01 N ATOM 2391 CA HIS B 48 -15.539 -3.712 6.002 1.00 1.10 C ATOM 2392 C HIS B 48 -16.533 -2.596 6.370 1.00 1.20 C ATOM 2393 O HIS B 48 -17.489 -2.860 7.097 1.00 1.85 O ATOM 2394 CB HIS B 48 -14.079 -3.246 6.123 1.00 1.41 C ATOM 2395 CG HIS B 48 -13.721 -2.592 7.435 1.00 1.52 C ATOM 2396 ND1 HIS B 48 -14.338 -2.795 8.649 1.00 2.45 N ATOM 2397 CD2 HIS B 48 -12.678 -1.731 7.642 1.00 2.56 C ATOM 2398 CE1 HIS B 48 -13.683 -2.063 9.564 1.00 3.07 C ATOM 2399 NE2 HIS B 48 -12.670 -1.388 8.997 1.00 2.98 N ATOM 0 H HIS B 48 -14.890 -4.466 4.173 1.00 1.01 H new ATOM 0 HA HIS B 48 -15.725 -4.504 6.727 1.00 1.10 H new ATOM 0 HB2 HIS B 48 -13.426 -4.106 5.974 1.00 1.41 H new ATOM 0 HB3 HIS B 48 -13.870 -2.544 5.316 1.00 1.41 H new ATOM 0 HD1 HIS B 48 -15.146 -3.393 8.822 1.00 2.45 H new ATOM 0 HD2 HIS B 48 -11.985 -1.379 6.892 1.00 2.56 H new ATOM 0 HE1 HIS B 48 -13.936 -2.022 10.613 1.00 3.07 H new ATOM 2407 N LEU B 49 -16.338 -1.352 5.919 1.00 1.50 N ATOM 2408 CA LEU B 49 -17.209 -0.247 6.331 1.00 1.52 C ATOM 2409 C LEU B 49 -17.136 0.931 5.363 1.00 1.62 C ATOM 2410 O LEU B 49 -18.159 1.338 4.823 1.00 1.86 O ATOM 2411 CB LEU B 49 -16.880 0.186 7.773 1.00 1.40 C ATOM 2412 CG LEU B 49 -17.705 1.390 8.268 1.00 1.98 C ATOM 2413 CD1 LEU B 49 -19.209 1.093 8.319 1.00 2.29 C ATOM 2414 CD2 LEU B 49 -17.237 1.789 9.672 1.00 2.83 C ATOM 0 H LEU B 49 -15.593 -1.087 5.275 1.00 1.50 H new ATOM 0 HA LEU B 49 -18.238 -0.607 6.306 1.00 1.52 H new ATOM 0 HB2 LEU B 49 -17.049 -0.657 8.442 1.00 1.40 H new ATOM 0 HB3 LEU B 49 -15.820 0.434 7.834 1.00 1.40 H new ATOM 0 HG LEU B 49 -17.546 2.200 7.556 1.00 1.98 H new ATOM 0 HD11 LEU B 49 -19.742 1.975 8.674 1.00 2.29 H new ATOM 0 HD12 LEU B 49 -19.563 0.833 7.321 1.00 2.29 H new ATOM 0 HD13 LEU B 49 -19.393 0.260 8.998 1.00 2.29 H new ATOM 0 HD21 LEU B 49 -17.821 2.641 10.022 1.00 2.83 H new ATOM 0 HD22 LEU B 49 -17.375 0.950 10.354 1.00 2.83 H new ATOM 0 HD23 LEU B 49 -16.182 2.061 9.640 1.00 2.83 H new ATOM 2426 N LEU B 50 -15.936 1.490 5.171 1.00 1.62 N ATOM 2427 CA LEU B 50 -15.681 2.566 4.220 1.00 1.86 C ATOM 2428 C LEU B 50 -16.529 3.789 4.541 1.00 1.63 C ATOM 2429 O LEU B 50 -17.255 4.335 3.714 1.00 1.96 O ATOM 2430 CB LEU B 50 -15.899 2.075 2.795 1.00 2.36 C ATOM 2431 CG LEU B 50 -15.162 0.755 2.544 1.00 2.68 C ATOM 2432 CD1 LEU B 50 -15.720 0.227 1.243 1.00 3.25 C ATOM 2433 CD2 LEU B 50 -13.651 0.951 2.433 1.00 4.03 C ATOM 0 H LEU B 50 -15.103 1.199 5.683 1.00 1.62 H new ATOM 0 HA LEU B 50 -14.638 2.872 4.307 1.00 1.86 H new ATOM 0 HB2 LEU B 50 -16.965 1.939 2.614 1.00 2.36 H new ATOM 0 HB3 LEU B 50 -15.549 2.829 2.090 1.00 2.36 H new ATOM 0 HG LEU B 50 -15.312 0.065 3.374 1.00 2.68 H new ATOM 0 HD11 LEU B 50 -15.238 -0.719 0.998 1.00 3.25 H new ATOM 0 HD12 LEU B 50 -16.794 0.072 1.344 1.00 3.25 H new ATOM 0 HD13 LEU B 50 -15.531 0.947 0.447 1.00 3.25 H new ATOM 0 HD21 LEU B 50 -13.171 -0.012 2.255 1.00 4.03 H new ATOM 0 HD22 LEU B 50 -13.431 1.624 1.604 1.00 4.03 H new ATOM 0 HD23 LEU B 50 -13.271 1.380 3.360 1.00 4.03 H new ATOM 2445 N LYS B 51 -16.415 4.205 5.799 1.00 1.23 N ATOM 2446 CA LYS B 51 -17.066 5.394 6.314 1.00 1.19 C ATOM 2447 C LYS B 51 -16.555 6.664 5.623 1.00 1.21 C ATOM 2448 O LYS B 51 -17.255 7.671 5.645 1.00 1.31 O ATOM 2449 CB LYS B 51 -16.842 5.446 7.827 1.00 1.18 C ATOM 2450 CG LYS B 51 -15.345 5.549 8.164 1.00 1.23 C ATOM 2451 CD LYS B 51 -14.900 6.997 8.407 1.00 1.55 C ATOM 2452 CE LYS B 51 -15.066 7.457 9.863 1.00 1.79 C ATOM 2453 NZ LYS B 51 -16.478 7.736 10.205 1.00 2.91 N ATOM 0 H LYS B 51 -15.857 3.713 6.497 1.00 1.23 H new ATOM 0 HA LYS B 51 -18.134 5.345 6.104 1.00 1.19 H new ATOM 0 HB2 LYS B 51 -17.372 6.301 8.247 1.00 1.18 H new ATOM 0 HB3 LYS B 51 -17.261 4.553 8.290 1.00 1.18 H new ATOM 0 HG2 LYS B 51 -15.133 4.953 9.051 1.00 1.23 H new ATOM 0 HG3 LYS B 51 -14.761 5.124 7.347 1.00 1.23 H new ATOM 0 HD2 LYS B 51 -13.853 7.099 8.120 1.00 1.55 H new ATOM 0 HD3 LYS B 51 -15.475 7.658 7.758 1.00 1.55 H new ATOM 0 HE2 LYS B 51 -14.677 6.689 10.531 1.00 1.79 H new ATOM 0 HE3 LYS B 51 -14.470 8.354 10.029 1.00 1.79 H new ATOM 0 HZ1 LYS B 51 -16.522 8.247 11.110 1.00 2.91 H new ATOM 0 HZ2 LYS B 51 -16.908 8.318 9.458 1.00 2.91 H new ATOM 0 HZ3 LYS B 51 -16.999 6.840 10.288 1.00 2.91 H new ATOM 2467 N ASP B 52 -15.319 6.616 5.105 1.00 1.18 N ATOM 2468 CA ASP B 52 -14.703 7.569 4.193 1.00 1.21 C ATOM 2469 C ASP B 52 -14.989 9.029 4.539 1.00 1.22 C ATOM 2470 O ASP B 52 -15.954 9.625 4.066 1.00 1.35 O ATOM 2471 CB ASP B 52 -14.928 7.157 2.728 1.00 1.44 C ATOM 2472 CG ASP B 52 -14.143 5.901 2.338 1.00 1.92 C ATOM 2473 OD1 ASP B 52 -13.910 5.071 3.250 1.00 2.30 O ATOM 2474 OD2 ASP B 52 -13.768 5.791 1.143 1.00 2.92 O ATOM 0 H ASP B 52 -14.684 5.851 5.334 1.00 1.18 H new ATOM 0 HA ASP B 52 -13.623 7.521 4.335 1.00 1.21 H new ATOM 0 HB2 ASP B 52 -15.991 6.981 2.564 1.00 1.44 H new ATOM 0 HB3 ASP B 52 -14.636 7.980 2.075 1.00 1.44 H new ATOM 2479 N VAL B 53 -14.107 9.616 5.359 1.00 1.26 N ATOM 2480 CA VAL B 53 -14.130 11.027 5.697 1.00 1.34 C ATOM 2481 C VAL B 53 -12.705 11.551 5.844 1.00 1.41 C ATOM 2482 O VAL B 53 -11.793 10.811 6.227 1.00 1.80 O ATOM 2483 CB VAL B 53 -14.990 11.256 6.947 1.00 1.70 C ATOM 2484 CG1 VAL B 53 -14.343 10.665 8.206 1.00 2.73 C ATOM 2485 CG2 VAL B 53 -15.280 12.742 7.172 1.00 2.78 C ATOM 0 H VAL B 53 -13.347 9.105 5.809 1.00 1.26 H new ATOM 0 HA VAL B 53 -14.593 11.597 4.891 1.00 1.34 H new ATOM 0 HB VAL B 53 -15.932 10.738 6.765 1.00 1.70 H new ATOM 0 HG11 VAL B 53 -14.986 10.850 9.067 1.00 2.73 H new ATOM 0 HG12 VAL B 53 -14.210 9.591 8.077 1.00 2.73 H new ATOM 0 HG13 VAL B 53 -13.373 11.133 8.370 1.00 2.73 H new ATOM 0 HG21 VAL B 53 -15.891 12.862 8.066 1.00 2.78 H new ATOM 0 HG22 VAL B 53 -14.341 13.281 7.299 1.00 2.78 H new ATOM 0 HG23 VAL B 53 -15.814 13.143 6.311 1.00 2.78 H new ATOM 2495 N GLY B 54 -12.525 12.831 5.514 1.00 1.45 N ATOM 2496 CA GLY B 54 -11.232 13.446 5.313 1.00 1.70 C ATOM 2497 C GLY B 54 -10.852 13.213 3.858 1.00 1.42 C ATOM 2498 O GLY B 54 -11.413 13.847 2.971 1.00 1.60 O ATOM 0 H GLY B 54 -13.302 13.478 5.378 1.00 1.45 H new ATOM 0 HA2 GLY B 54 -11.273 14.512 5.535 1.00 1.70 H new ATOM 0 HA3 GLY B 54 -10.489 13.010 5.981 1.00 1.70 H new ATOM 2502 N SER B 55 -9.961 12.249 3.611 1.00 1.36 N ATOM 2503 CA SER B 55 -9.480 11.964 2.264 1.00 1.35 C ATOM 2504 C SER B 55 -10.583 11.565 1.286 1.00 1.18 C ATOM 2505 O SER B 55 -10.334 11.586 0.088 1.00 1.30 O ATOM 2506 CB SER B 55 -8.359 10.935 2.254 1.00 1.60 C ATOM 2507 OG SER B 55 -7.124 11.531 2.601 1.00 2.31 O ATOM 0 H SER B 55 -9.559 11.652 4.333 1.00 1.36 H new ATOM 0 HA SER B 55 -9.077 12.913 1.910 1.00 1.35 H new ATOM 0 HB2 SER B 55 -8.590 10.133 2.955 1.00 1.60 H new ATOM 0 HB3 SER B 55 -8.284 10.483 1.265 1.00 1.60 H new ATOM 0 HG SER B 55 -6.520 11.506 1.829 1.00 2.31 H new ATOM 2513 N LEU B 56 -11.772 11.182 1.761 1.00 1.04 N ATOM 2514 CA LEU B 56 -12.960 11.068 0.918 1.00 1.04 C ATOM 2515 C LEU B 56 -12.996 12.215 -0.071 1.00 1.05 C ATOM 2516 O LEU B 56 -13.189 11.993 -1.263 1.00 1.09 O ATOM 2517 CB LEU B 56 -14.207 11.111 1.804 1.00 1.25 C ATOM 2518 CG LEU B 56 -15.579 11.174 1.098 1.00 1.64 C ATOM 2519 CD1 LEU B 56 -15.969 12.556 0.553 1.00 2.20 C ATOM 2520 CD2 LEU B 56 -15.758 10.103 0.015 1.00 2.34 C ATOM 0 H LEU B 56 -11.935 10.943 2.739 1.00 1.04 H new ATOM 0 HA LEU B 56 -12.932 10.127 0.369 1.00 1.04 H new ATOM 0 HB2 LEU B 56 -14.197 10.228 2.442 1.00 1.25 H new ATOM 0 HB3 LEU B 56 -14.125 11.979 2.459 1.00 1.25 H new ATOM 0 HG LEU B 56 -16.275 10.958 1.909 1.00 1.64 H new ATOM 0 HD11 LEU B 56 -16.947 12.496 0.076 1.00 2.20 H new ATOM 0 HD12 LEU B 56 -16.008 13.273 1.373 1.00 2.20 H new ATOM 0 HD13 LEU B 56 -15.228 12.881 -0.178 1.00 2.20 H new ATOM 0 HD21 LEU B 56 -16.744 10.206 -0.439 1.00 2.34 H new ATOM 0 HD22 LEU B 56 -14.991 10.227 -0.750 1.00 2.34 H new ATOM 0 HD23 LEU B 56 -15.667 9.114 0.463 1.00 2.34 H new ATOM 2532 N ASP B 57 -12.801 13.428 0.445 1.00 1.19 N ATOM 2533 CA ASP B 57 -12.814 14.621 -0.391 1.00 1.33 C ATOM 2534 C ASP B 57 -11.780 14.472 -1.523 1.00 1.27 C ATOM 2535 O ASP B 57 -12.142 14.391 -2.698 1.00 1.31 O ATOM 2536 CB ASP B 57 -12.588 15.861 0.489 1.00 1.66 C ATOM 2537 CG ASP B 57 -12.474 17.150 -0.309 1.00 2.84 C ATOM 2538 OD1 ASP B 57 -12.685 17.136 -1.539 1.00 3.86 O ATOM 2539 OD2 ASP B 57 -12.076 18.186 0.258 1.00 3.57 O ATOM 0 H ASP B 57 -12.633 13.607 1.435 1.00 1.19 H new ATOM 0 HA ASP B 57 -13.783 14.749 -0.873 1.00 1.33 H new ATOM 0 HB2 ASP B 57 -13.412 15.951 1.197 1.00 1.66 H new ATOM 0 HB3 ASP B 57 -11.679 15.722 1.074 1.00 1.66 H new ATOM 2544 N GLU B 58 -10.496 14.345 -1.174 1.00 1.35 N ATOM 2545 CA GLU B 58 -9.400 14.117 -2.115 1.00 1.46 C ATOM 2546 C GLU B 58 -9.694 13.009 -3.127 1.00 1.28 C ATOM 2547 O GLU B 58 -9.513 13.203 -4.327 1.00 1.45 O ATOM 2548 CB GLU B 58 -8.079 13.927 -1.356 1.00 1.61 C ATOM 2549 CG GLU B 58 -7.476 15.293 -0.974 1.00 2.12 C ATOM 2550 CD GLU B 58 -8.489 16.219 -0.315 1.00 3.07 C ATOM 2551 OE1 GLU B 58 -9.059 15.772 0.703 1.00 3.58 O ATOM 2552 OE2 GLU B 58 -8.735 17.309 -0.887 1.00 4.32 O ATOM 0 H GLU B 58 -10.184 14.400 -0.204 1.00 1.35 H new ATOM 0 HA GLU B 58 -9.295 15.011 -2.730 1.00 1.46 H new ATOM 0 HB2 GLU B 58 -8.251 13.334 -0.457 1.00 1.61 H new ATOM 0 HB3 GLU B 58 -7.374 13.371 -1.974 1.00 1.61 H new ATOM 0 HG2 GLU B 58 -6.637 15.138 -0.296 1.00 2.12 H new ATOM 0 HG3 GLU B 58 -7.079 15.773 -1.868 1.00 2.12 H new ATOM 2559 N LYS B 59 -10.169 11.858 -2.665 1.00 1.03 N ATOM 2560 CA LYS B 59 -10.524 10.739 -3.517 1.00 1.01 C ATOM 2561 C LYS B 59 -11.611 11.130 -4.513 1.00 0.99 C ATOM 2562 O LYS B 59 -11.442 10.968 -5.722 1.00 1.13 O ATOM 2563 CB LYS B 59 -10.945 9.551 -2.640 1.00 0.98 C ATOM 2564 CG LYS B 59 -9.700 8.685 -2.453 1.00 0.82 C ATOM 2565 CD LYS B 59 -9.758 7.527 -1.448 1.00 0.99 C ATOM 2566 CE LYS B 59 -11.050 6.698 -1.483 1.00 1.34 C ATOM 2567 NZ LYS B 59 -11.688 6.638 -0.142 1.00 1.71 N ATOM 0 H LYS B 59 -10.319 11.678 -1.672 1.00 1.03 H new ATOM 0 HA LYS B 59 -9.657 10.442 -4.107 1.00 1.01 H new ATOM 0 HB2 LYS B 59 -11.326 9.895 -1.678 1.00 0.98 H new ATOM 0 HB3 LYS B 59 -11.745 8.983 -3.115 1.00 0.98 H new ATOM 0 HG2 LYS B 59 -9.438 8.267 -3.425 1.00 0.82 H new ATOM 0 HG3 LYS B 59 -8.881 9.341 -2.156 1.00 0.82 H new ATOM 0 HD2 LYS B 59 -8.914 6.863 -1.633 1.00 0.99 H new ATOM 0 HD3 LYS B 59 -9.631 7.931 -0.444 1.00 0.99 H new ATOM 0 HE2 LYS B 59 -11.745 7.134 -2.200 1.00 1.34 H new ATOM 0 HE3 LYS B 59 -10.828 5.688 -1.828 1.00 1.34 H new ATOM 0 HZ1 LYS B 59 -12.511 6.003 -0.177 1.00 1.71 H new ATOM 0 HZ2 LYS B 59 -11.003 6.278 0.553 1.00 1.71 H new ATOM 0 HZ3 LYS B 59 -11.998 7.591 0.138 1.00 1.71 H new ATOM 2581 N MET B 60 -12.725 11.640 -3.995 1.00 0.90 N ATOM 2582 CA MET B 60 -13.830 12.125 -4.801 1.00 0.92 C ATOM 2583 C MET B 60 -13.305 13.078 -5.874 1.00 0.93 C ATOM 2584 O MET B 60 -13.512 12.816 -7.056 1.00 0.95 O ATOM 2585 CB MET B 60 -14.922 12.750 -3.917 1.00 1.01 C ATOM 2586 CG MET B 60 -16.117 13.255 -4.742 1.00 1.27 C ATOM 2587 SD MET B 60 -15.914 14.891 -5.503 1.00 2.77 S ATOM 2588 CE MET B 60 -17.354 14.929 -6.591 1.00 2.91 C ATOM 0 H MET B 60 -12.883 11.727 -2.991 1.00 0.90 H new ATOM 0 HA MET B 60 -14.304 11.289 -5.315 1.00 0.92 H new ATOM 0 HB2 MET B 60 -15.268 12.012 -3.193 1.00 1.01 H new ATOM 0 HB3 MET B 60 -14.498 13.579 -3.350 1.00 1.01 H new ATOM 0 HG2 MET B 60 -16.322 12.531 -5.530 1.00 1.27 H new ATOM 0 HG3 MET B 60 -16.995 13.281 -4.097 1.00 1.27 H new ATOM 0 HE1 MET B 60 -17.375 15.874 -7.133 1.00 2.91 H new ATOM 0 HE2 MET B 60 -17.295 14.104 -7.301 1.00 2.91 H new ATOM 0 HE3 MET B 60 -18.262 14.831 -5.996 1.00 2.91 H new ATOM 2598 N LYS B 61 -12.608 14.152 -5.483 1.00 0.99 N ATOM 2599 CA LYS B 61 -12.169 15.145 -6.456 1.00 1.12 C ATOM 2600 C LYS B 61 -11.170 14.526 -7.447 1.00 1.11 C ATOM 2601 O LYS B 61 -11.224 14.799 -8.645 1.00 1.17 O ATOM 2602 CB LYS B 61 -11.735 16.467 -5.782 1.00 1.29 C ATOM 2603 CG LYS B 61 -10.288 16.548 -5.270 1.00 1.99 C ATOM 2604 CD LYS B 61 -10.181 17.079 -3.833 1.00 1.87 C ATOM 2605 CE LYS B 61 -10.560 18.535 -3.559 1.00 2.29 C ATOM 2606 NZ LYS B 61 -10.625 18.749 -2.096 1.00 2.25 N ATOM 0 H LYS B 61 -12.343 14.349 -4.518 1.00 0.99 H new ATOM 0 HA LYS B 61 -13.014 15.452 -7.072 1.00 1.12 H new ATOM 0 HB2 LYS B 61 -11.887 17.277 -6.496 1.00 1.29 H new ATOM 0 HB3 LYS B 61 -12.403 16.653 -4.941 1.00 1.29 H new ATOM 0 HG2 LYS B 61 -9.837 15.557 -5.318 1.00 1.99 H new ATOM 0 HG3 LYS B 61 -9.711 17.193 -5.932 1.00 1.99 H new ATOM 0 HD2 LYS B 61 -10.807 16.450 -3.200 1.00 1.87 H new ATOM 0 HD3 LYS B 61 -9.151 16.938 -3.504 1.00 1.87 H new ATOM 0 HE2 LYS B 61 -9.826 19.206 -4.005 1.00 2.29 H new ATOM 0 HE3 LYS B 61 -11.522 18.766 -4.016 1.00 2.29 H new ATOM 0 HZ1 LYS B 61 -10.409 19.743 -1.881 1.00 2.25 H new ATOM 0 HZ2 LYS B 61 -11.580 18.521 -1.754 1.00 2.25 H new ATOM 0 HZ3 LYS B 61 -9.932 18.134 -1.624 1.00 2.25 H new ATOM 2620 N SER B 62 -10.289 13.642 -6.962 1.00 1.15 N ATOM 2621 CA SER B 62 -9.347 12.907 -7.795 1.00 1.23 C ATOM 2622 C SER B 62 -10.088 12.137 -8.890 1.00 1.22 C ATOM 2623 O SER B 62 -9.684 12.203 -10.051 1.00 1.35 O ATOM 2624 CB SER B 62 -8.463 11.990 -6.937 1.00 1.33 C ATOM 2625 OG SER B 62 -7.484 11.341 -7.725 1.00 2.28 O ATOM 0 H SER B 62 -10.215 13.419 -5.969 1.00 1.15 H new ATOM 0 HA SER B 62 -8.685 13.617 -8.290 1.00 1.23 H new ATOM 0 HB2 SER B 62 -7.976 12.575 -6.157 1.00 1.33 H new ATOM 0 HB3 SER B 62 -9.083 11.246 -6.437 1.00 1.33 H new ATOM 0 HG SER B 62 -6.934 10.765 -7.154 1.00 2.28 H new ATOM 2631 N LEU B 63 -11.183 11.439 -8.552 1.00 1.14 N ATOM 2632 CA LEU B 63 -12.025 10.869 -9.597 1.00 1.20 C ATOM 2633 C LEU B 63 -12.585 12.003 -10.464 1.00 1.13 C ATOM 2634 O LEU B 63 -12.340 12.033 -11.667 1.00 1.16 O ATOM 2635 CB LEU B 63 -13.165 9.974 -9.055 1.00 1.38 C ATOM 2636 CG LEU B 63 -12.855 8.496 -8.824 1.00 1.89 C ATOM 2637 CD1 LEU B 63 -11.852 8.314 -7.676 1.00 2.02 C ATOM 2638 CD2 LEU B 63 -14.208 7.855 -8.512 1.00 2.96 C ATOM 0 H LEU B 63 -11.493 11.263 -7.596 1.00 1.14 H new ATOM 0 HA LEU B 63 -11.398 10.209 -10.197 1.00 1.20 H new ATOM 0 HB2 LEU B 63 -13.504 10.398 -8.110 1.00 1.38 H new ATOM 0 HB3 LEU B 63 -14.001 10.037 -9.751 1.00 1.38 H new ATOM 0 HG LEU B 63 -12.385 8.031 -9.690 1.00 1.89 H new ATOM 0 HD11 LEU B 63 -11.650 7.252 -7.534 1.00 2.02 H new ATOM 0 HD12 LEU B 63 -10.923 8.831 -7.919 1.00 2.02 H new ATOM 0 HD13 LEU B 63 -12.269 8.730 -6.759 1.00 2.02 H new ATOM 0 HD21 LEU B 63 -14.073 6.788 -8.333 1.00 2.96 H new ATOM 0 HD22 LEU B 63 -14.635 8.321 -7.624 1.00 2.96 H new ATOM 0 HD23 LEU B 63 -14.882 7.998 -9.357 1.00 2.96 H new ATOM 2650 N ASP B 64 -13.343 12.916 -9.855 1.00 1.10 N ATOM 2651 CA ASP B 64 -14.113 13.964 -10.523 1.00 1.15 C ATOM 2652 C ASP B 64 -13.360 14.591 -11.702 1.00 1.15 C ATOM 2653 O ASP B 64 -13.903 14.676 -12.801 1.00 1.23 O ATOM 2654 CB ASP B 64 -14.516 15.025 -9.495 1.00 1.18 C ATOM 2655 CG ASP B 64 -15.543 15.988 -10.062 1.00 1.28 C ATOM 2656 OD1 ASP B 64 -16.744 15.653 -9.955 1.00 1.84 O ATOM 2657 OD2 ASP B 64 -15.112 17.044 -10.568 1.00 1.63 O ATOM 0 H ASP B 64 -13.441 12.946 -8.840 1.00 1.10 H new ATOM 0 HA ASP B 64 -15.007 13.508 -10.948 1.00 1.15 H new ATOM 0 HB2 ASP B 64 -14.923 14.538 -8.609 1.00 1.18 H new ATOM 0 HB3 ASP B 64 -13.633 15.579 -9.177 1.00 1.18 H new ATOM 2662 N VAL B 65 -12.092 14.958 -11.472 1.00 1.12 N ATOM 2663 CA VAL B 65 -11.193 15.551 -12.463 1.00 1.22 C ATOM 2664 C VAL B 65 -11.300 14.867 -13.830 1.00 1.23 C ATOM 2665 O VAL B 65 -11.729 15.480 -14.803 1.00 1.32 O ATOM 2666 CB VAL B 65 -9.748 15.499 -11.926 1.00 1.35 C ATOM 2667 CG1 VAL B 65 -8.673 15.788 -12.983 1.00 1.99 C ATOM 2668 CG2 VAL B 65 -9.583 16.535 -10.821 1.00 1.54 C ATOM 0 H VAL B 65 -11.652 14.845 -10.559 1.00 1.12 H new ATOM 0 HA VAL B 65 -11.489 16.588 -12.619 1.00 1.22 H new ATOM 0 HB VAL B 65 -9.603 14.478 -11.573 1.00 1.35 H new ATOM 0 HG11 VAL B 65 -7.686 15.732 -12.523 1.00 1.99 H new ATOM 0 HG12 VAL B 65 -8.743 15.052 -13.784 1.00 1.99 H new ATOM 0 HG13 VAL B 65 -8.825 16.786 -13.394 1.00 1.99 H new ATOM 0 HG21 VAL B 65 -8.563 16.501 -10.439 1.00 1.54 H new ATOM 0 HG22 VAL B 65 -9.788 17.528 -11.220 1.00 1.54 H new ATOM 0 HG23 VAL B 65 -10.280 16.318 -10.012 1.00 1.54 H new ATOM 2678 N ASN B 66 -10.843 13.616 -13.904 1.00 1.21 N ATOM 2679 CA ASN B 66 -10.820 12.822 -15.139 1.00 1.26 C ATOM 2680 C ASN B 66 -10.825 11.334 -14.789 1.00 1.21 C ATOM 2681 O ASN B 66 -9.899 10.591 -15.110 1.00 1.24 O ATOM 2682 CB ASN B 66 -9.607 13.165 -16.028 1.00 1.40 C ATOM 2683 CG ASN B 66 -9.730 14.502 -16.756 1.00 1.49 C ATOM 2684 OD1 ASN B 66 -10.526 14.653 -17.676 1.00 2.61 O ATOM 2685 ND2 ASN B 66 -8.907 15.484 -16.391 1.00 1.87 N ATOM 0 H ASN B 66 -10.472 13.116 -13.096 1.00 1.21 H new ATOM 0 HA ASN B 66 -11.713 13.067 -15.714 1.00 1.26 H new ATOM 0 HB2 ASN B 66 -8.709 13.180 -15.410 1.00 1.40 H new ATOM 0 HB3 ASN B 66 -9.473 12.373 -16.765 1.00 1.40 H new ATOM 0 HD21 ASN B 66 -8.933 16.379 -16.879 1.00 1.87 H new ATOM 0 HD22 ASN B 66 -8.251 15.341 -15.623 1.00 1.87 H new ATOM 2692 N GLN B 67 -11.871 10.902 -14.085 1.00 1.13 N ATOM 2693 CA GLN B 67 -11.998 9.556 -13.562 1.00 1.05 C ATOM 2694 C GLN B 67 -11.916 8.459 -14.626 1.00 1.26 C ATOM 2695 O GLN B 67 -11.505 7.331 -14.349 1.00 1.34 O ATOM 2696 CB GLN B 67 -13.294 9.396 -12.765 1.00 1.02 C ATOM 2697 CG GLN B 67 -14.504 10.269 -13.175 1.00 1.21 C ATOM 2698 CD GLN B 67 -14.818 10.250 -14.665 1.00 1.90 C ATOM 2699 OE1 GLN B 67 -15.330 9.256 -15.166 1.00 3.20 O ATOM 2700 NE2 GLN B 67 -14.477 11.314 -15.386 1.00 2.48 N ATOM 0 H GLN B 67 -12.668 11.498 -13.861 1.00 1.13 H new ATOM 0 HA GLN B 67 -11.136 9.425 -12.908 1.00 1.05 H new ATOM 0 HB2 GLN B 67 -13.598 8.351 -12.826 1.00 1.02 H new ATOM 0 HB3 GLN B 67 -13.071 9.602 -11.718 1.00 1.02 H new ATOM 0 HG2 GLN B 67 -15.383 9.930 -12.627 1.00 1.21 H new ATOM 0 HG3 GLN B 67 -14.314 11.298 -12.869 1.00 1.21 H new ATOM 0 HE21 GLN B 67 -14.053 12.123 -14.932 1.00 2.48 H new ATOM 0 HE22 GLN B 67 -14.640 11.321 -16.393 1.00 2.48 H new ATOM 2709 N ASP B 68 -12.383 8.808 -15.817 1.00 1.41 N ATOM 2710 CA ASP B 68 -12.284 8.043 -17.049 1.00 1.49 C ATOM 2711 C ASP B 68 -10.847 7.659 -17.403 1.00 1.49 C ATOM 2712 O ASP B 68 -10.644 6.675 -18.115 1.00 1.64 O ATOM 2713 CB ASP B 68 -12.957 8.830 -18.183 1.00 1.62 C ATOM 2714 CG ASP B 68 -12.611 10.311 -18.132 1.00 1.93 C ATOM 2715 OD1 ASP B 68 -11.407 10.625 -18.235 1.00 2.89 O ATOM 2716 OD2 ASP B 68 -13.555 11.090 -17.868 1.00 3.20 O ATOM 0 H ASP B 68 -12.873 9.692 -15.955 1.00 1.41 H new ATOM 0 HA ASP B 68 -12.805 7.097 -16.902 1.00 1.49 H new ATOM 0 HB2 ASP B 68 -12.647 8.418 -19.144 1.00 1.62 H new ATOM 0 HB3 ASP B 68 -14.038 8.708 -18.117 1.00 1.62 H new ATOM 2721 N SER B 69 -9.844 8.388 -16.909 1.00 1.40 N ATOM 2722 CA SER B 69 -8.456 7.998 -17.096 1.00 1.50 C ATOM 2723 C SER B 69 -8.188 6.607 -16.502 1.00 1.64 C ATOM 2724 O SER B 69 -8.909 6.113 -15.629 1.00 2.84 O ATOM 2725 CB SER B 69 -7.526 9.050 -16.472 1.00 1.45 C ATOM 2726 OG SER B 69 -6.181 8.859 -16.891 1.00 2.06 O ATOM 0 H SER B 69 -9.973 9.249 -16.378 1.00 1.40 H new ATOM 0 HA SER B 69 -8.253 7.943 -18.165 1.00 1.50 H new ATOM 0 HB2 SER B 69 -7.860 10.048 -16.755 1.00 1.45 H new ATOM 0 HB3 SER B 69 -7.583 8.991 -15.385 1.00 1.45 H new ATOM 0 HG SER B 69 -5.611 9.542 -16.481 1.00 2.06 H new ATOM 2732 N GLU B 70 -7.089 5.995 -16.946 1.00 1.12 N ATOM 2733 CA GLU B 70 -6.529 4.842 -16.271 1.00 1.00 C ATOM 2734 C GLU B 70 -6.187 5.232 -14.847 1.00 0.94 C ATOM 2735 O GLU B 70 -5.763 6.361 -14.588 1.00 1.11 O ATOM 2736 CB GLU B 70 -5.223 4.414 -16.937 1.00 1.07 C ATOM 2737 CG GLU B 70 -5.492 3.820 -18.316 1.00 1.67 C ATOM 2738 CD GLU B 70 -4.273 3.913 -19.220 1.00 2.34 C ATOM 2739 OE1 GLU B 70 -3.380 4.751 -18.951 1.00 3.64 O ATOM 2740 OE2 GLU B 70 -4.153 3.092 -20.156 1.00 2.54 O ATOM 0 H GLU B 70 -6.573 6.287 -17.776 1.00 1.12 H new ATOM 0 HA GLU B 70 -7.257 4.032 -16.310 1.00 1.00 H new ATOM 0 HB2 GLU B 70 -4.557 5.272 -17.028 1.00 1.07 H new ATOM 0 HB3 GLU B 70 -4.714 3.680 -16.312 1.00 1.07 H new ATOM 0 HG2 GLU B 70 -5.787 2.776 -18.210 1.00 1.67 H new ATOM 0 HG3 GLU B 70 -6.329 4.343 -18.780 1.00 1.67 H new ATOM 2747 N LEU B 71 -6.231 4.251 -13.963 1.00 1.00 N ATOM 2748 CA LEU B 71 -5.520 4.321 -12.704 1.00 1.08 C ATOM 2749 C LEU B 71 -4.168 3.647 -12.905 1.00 0.90 C ATOM 2750 O LEU B 71 -4.057 2.685 -13.666 1.00 0.94 O ATOM 2751 CB LEU B 71 -6.347 3.680 -11.591 1.00 1.33 C ATOM 2752 CG LEU B 71 -5.757 3.921 -10.194 1.00 1.25 C ATOM 2753 CD1 LEU B 71 -5.760 5.403 -9.794 1.00 1.86 C ATOM 2754 CD2 LEU B 71 -6.662 3.191 -9.212 1.00 2.27 C ATOM 0 H LEU B 71 -6.758 3.389 -14.099 1.00 1.00 H new ATOM 0 HA LEU B 71 -5.355 5.353 -12.394 1.00 1.08 H new ATOM 0 HB2 LEU B 71 -7.362 4.077 -11.625 1.00 1.33 H new ATOM 0 HB3 LEU B 71 -6.418 2.607 -11.770 1.00 1.33 H new ATOM 0 HG LEU B 71 -4.724 3.575 -10.190 1.00 1.25 H new ATOM 0 HD11 LEU B 71 -5.332 5.512 -8.798 1.00 1.86 H new ATOM 0 HD12 LEU B 71 -5.167 5.974 -10.508 1.00 1.86 H new ATOM 0 HD13 LEU B 71 -6.784 5.777 -9.792 1.00 1.86 H new ATOM 0 HD21 LEU B 71 -6.286 3.330 -8.198 1.00 2.27 H new ATOM 0 HD22 LEU B 71 -7.673 3.592 -9.282 1.00 2.27 H new ATOM 0 HD23 LEU B 71 -6.676 2.128 -9.451 1.00 2.27 H new ATOM 2766 N LYS B 72 -3.132 4.188 -12.266 1.00 0.84 N ATOM 2767 CA LYS B 72 -1.777 3.672 -12.310 1.00 0.84 C ATOM 2768 C LYS B 72 -1.447 3.189 -10.899 1.00 0.74 C ATOM 2769 O LYS B 72 -1.992 3.728 -9.930 1.00 0.66 O ATOM 2770 CB LYS B 72 -0.797 4.749 -12.803 1.00 1.13 C ATOM 2771 CG LYS B 72 -0.755 4.909 -14.335 1.00 1.15 C ATOM 2772 CD LYS B 72 -2.004 5.501 -15.014 1.00 2.11 C ATOM 2773 CE LYS B 72 -2.335 6.924 -14.528 1.00 3.30 C ATOM 2774 NZ LYS B 72 -3.455 7.538 -15.280 1.00 4.33 N ATOM 0 H LYS B 72 -3.222 5.023 -11.687 1.00 0.84 H new ATOM 0 HA LYS B 72 -1.687 2.847 -13.016 1.00 0.84 H new ATOM 0 HB2 LYS B 72 -1.070 5.705 -12.356 1.00 1.13 H new ATOM 0 HB3 LYS B 72 0.204 4.505 -12.447 1.00 1.13 H new ATOM 0 HG2 LYS B 72 0.097 5.540 -14.586 1.00 1.15 H new ATOM 0 HG3 LYS B 72 -0.565 3.929 -14.772 1.00 1.15 H new ATOM 0 HD2 LYS B 72 -1.851 5.518 -16.093 1.00 2.11 H new ATOM 0 HD3 LYS B 72 -2.857 4.850 -14.823 1.00 2.11 H new ATOM 0 HE2 LYS B 72 -2.588 6.892 -13.468 1.00 3.30 H new ATOM 0 HE3 LYS B 72 -1.450 7.552 -14.625 1.00 3.30 H new ATOM 0 HZ1 LYS B 72 -3.614 8.507 -14.936 1.00 4.33 H new ATOM 0 HZ2 LYS B 72 -3.220 7.564 -16.293 1.00 4.33 H new ATOM 0 HZ3 LYS B 72 -4.318 6.975 -15.139 1.00 4.33 H new ATOM 2788 N PHE B 73 -0.601 2.165 -10.761 1.00 0.84 N ATOM 2789 CA PHE B 73 -0.435 1.503 -9.467 1.00 0.88 C ATOM 2790 C PHE B 73 0.034 2.475 -8.376 1.00 0.66 C ATOM 2791 O PHE B 73 -0.377 2.364 -7.223 1.00 0.51 O ATOM 2792 CB PHE B 73 0.463 0.268 -9.557 1.00 1.22 C ATOM 2793 CG PHE B 73 1.893 0.535 -9.963 1.00 0.89 C ATOM 2794 CD1 PHE B 73 2.802 1.047 -9.022 1.00 2.59 C ATOM 2795 CD2 PHE B 73 2.298 0.343 -11.294 1.00 1.73 C ATOM 2796 CE1 PHE B 73 4.042 1.538 -9.450 1.00 3.58 C ATOM 2797 CE2 PHE B 73 3.555 0.801 -11.718 1.00 2.28 C ATOM 2798 CZ PHE B 73 4.419 1.421 -10.802 1.00 3.01 C ATOM 0 H PHE B 73 -0.030 1.782 -11.515 1.00 0.84 H new ATOM 0 HA PHE B 73 -1.423 1.150 -9.172 1.00 0.88 H new ATOM 0 HB2 PHE B 73 0.465 -0.230 -8.587 1.00 1.22 H new ATOM 0 HB3 PHE B 73 0.024 -0.428 -10.272 1.00 1.22 H new ATOM 0 HD1 PHE B 73 2.546 1.062 -7.973 1.00 2.59 H new ATOM 0 HD2 PHE B 73 1.642 -0.157 -11.991 1.00 1.73 H new ATOM 0 HE1 PHE B 73 4.710 2.007 -8.742 1.00 3.58 H new ATOM 0 HE2 PHE B 73 3.857 0.677 -12.747 1.00 2.28 H new ATOM 0 HZ PHE B 73 5.371 1.808 -11.133 1.00 3.01 H new ATOM 2808 N ASN B 74 0.888 3.436 -8.736 1.00 0.77 N ATOM 2809 CA ASN B 74 1.363 4.469 -7.820 1.00 0.78 C ATOM 2810 C ASN B 74 0.189 5.245 -7.213 1.00 0.61 C ATOM 2811 O ASN B 74 0.163 5.532 -6.016 1.00 0.64 O ATOM 2812 CB ASN B 74 2.300 5.418 -8.573 1.00 1.08 C ATOM 2813 CG ASN B 74 2.926 6.433 -7.624 1.00 1.46 C ATOM 2814 OD1 ASN B 74 3.873 6.108 -6.918 1.00 2.69 O ATOM 2815 ND2 ASN B 74 2.442 7.670 -7.611 1.00 2.08 N ATOM 0 H ASN B 74 1.270 3.517 -9.678 1.00 0.77 H new ATOM 0 HA ASN B 74 1.906 3.995 -7.002 1.00 0.78 H new ATOM 0 HB2 ASN B 74 3.084 4.844 -9.067 1.00 1.08 H new ATOM 0 HB3 ASN B 74 1.746 5.938 -9.354 1.00 1.08 H new ATOM 0 HD21 ASN B 74 2.860 8.375 -7.003 1.00 2.08 H new ATOM 0 HD22 ASN B 74 1.653 7.915 -8.209 1.00 2.08 H new ATOM 2822 N GLU B 75 -0.788 5.570 -8.062 1.00 0.60 N ATOM 2823 CA GLU B 75 -1.950 6.367 -7.713 1.00 0.55 C ATOM 2824 C GLU B 75 -2.912 5.534 -6.877 1.00 0.53 C ATOM 2825 O GLU B 75 -3.354 5.971 -5.811 1.00 0.61 O ATOM 2826 CB GLU B 75 -2.605 6.879 -9.001 1.00 0.67 C ATOM 2827 CG GLU B 75 -1.591 7.594 -9.906 1.00 1.16 C ATOM 2828 CD GLU B 75 -0.820 8.641 -9.126 1.00 2.22 C ATOM 2829 OE1 GLU B 75 -1.481 9.468 -8.461 1.00 3.52 O ATOM 2830 OE2 GLU B 75 0.427 8.596 -9.139 1.00 3.01 O ATOM 0 H GLU B 75 -0.786 5.274 -9.038 1.00 0.60 H new ATOM 0 HA GLU B 75 -1.658 7.228 -7.112 1.00 0.55 H new ATOM 0 HB2 GLU B 75 -3.049 6.043 -9.541 1.00 0.67 H new ATOM 0 HB3 GLU B 75 -3.416 7.563 -8.750 1.00 0.67 H new ATOM 0 HG2 GLU B 75 -0.899 6.867 -10.330 1.00 1.16 H new ATOM 0 HG3 GLU B 75 -2.110 8.065 -10.741 1.00 1.16 H new ATOM 2837 N TYR B 76 -3.190 4.313 -7.351 1.00 0.51 N ATOM 2838 CA TYR B 76 -3.887 3.301 -6.572 1.00 0.56 C ATOM 2839 C TYR B 76 -3.329 3.302 -5.154 1.00 0.49 C ATOM 2840 O TYR B 76 -4.089 3.429 -4.197 1.00 0.51 O ATOM 2841 CB TYR B 76 -3.738 1.929 -7.246 1.00 0.64 C ATOM 2842 CG TYR B 76 -4.261 0.748 -6.452 1.00 0.98 C ATOM 2843 CD1 TYR B 76 -3.471 0.173 -5.437 1.00 2.27 C ATOM 2844 CD2 TYR B 76 -5.476 0.141 -6.814 1.00 2.47 C ATOM 2845 CE1 TYR B 76 -3.909 -0.980 -4.768 1.00 2.48 C ATOM 2846 CE2 TYR B 76 -5.914 -1.014 -6.144 1.00 2.72 C ATOM 2847 CZ TYR B 76 -5.123 -1.581 -5.132 1.00 1.80 C ATOM 2848 OH TYR B 76 -5.512 -2.743 -4.545 1.00 2.20 O ATOM 0 H TYR B 76 -2.934 4.006 -8.289 1.00 0.51 H new ATOM 0 HA TYR B 76 -4.953 3.524 -6.523 1.00 0.56 H new ATOM 0 HB2 TYR B 76 -4.256 1.957 -8.205 1.00 0.64 H new ATOM 0 HB3 TYR B 76 -2.682 1.762 -7.459 1.00 0.64 H new ATOM 0 HD1 TYR B 76 -2.525 0.621 -5.173 1.00 2.27 H new ATOM 0 HD2 TYR B 76 -6.074 0.563 -7.608 1.00 2.47 H new ATOM 0 HE1 TYR B 76 -3.312 -1.404 -3.974 1.00 2.48 H new ATOM 0 HE2 TYR B 76 -6.859 -1.466 -6.408 1.00 2.72 H new ATOM 0 HH TYR B 76 -5.155 -2.785 -3.633 1.00 2.20 H new ATOM 2858 N TRP B 77 -2.001 3.198 -5.028 1.00 0.44 N ATOM 2859 CA TRP B 77 -1.350 3.171 -3.737 1.00 0.41 C ATOM 2860 C TRP B 77 -1.838 4.283 -2.820 1.00 0.42 C ATOM 2861 O TRP B 77 -2.546 4.007 -1.854 1.00 0.43 O ATOM 2862 CB TRP B 77 0.173 3.180 -3.879 1.00 0.43 C ATOM 2863 CG TRP B 77 0.757 2.089 -3.089 1.00 0.40 C ATOM 2864 CD1 TRP B 77 1.058 2.193 -1.787 1.00 0.40 C ATOM 2865 CD2 TRP B 77 1.107 0.740 -3.492 1.00 0.42 C ATOM 2866 NE1 TRP B 77 1.520 0.989 -1.335 1.00 0.42 N ATOM 2867 CE2 TRP B 77 1.607 0.067 -2.346 1.00 0.45 C ATOM 2868 CE3 TRP B 77 1.104 0.028 -4.707 1.00 0.48 C ATOM 2869 CZ2 TRP B 77 2.070 -1.245 -2.394 1.00 0.57 C ATOM 2870 CZ3 TRP B 77 1.664 -1.259 -4.767 1.00 0.55 C ATOM 2871 CH2 TRP B 77 2.071 -1.922 -3.614 1.00 0.63 C ATOM 0 H TRP B 77 -1.361 3.131 -5.820 1.00 0.44 H new ATOM 0 HA TRP B 77 -1.630 2.231 -3.261 1.00 0.41 H new ATOM 0 HB2 TRP B 77 0.449 3.069 -4.928 1.00 0.43 H new ATOM 0 HB3 TRP B 77 0.572 4.137 -3.543 1.00 0.43 H new ATOM 0 HD1 TRP B 77 0.952 3.087 -1.190 1.00 0.40 H new ATOM 0 HE1 TRP B 77 1.770 0.799 -0.364 1.00 0.42 H new ATOM 0 HE3 TRP B 77 0.672 0.471 -5.592 1.00 0.48 H new ATOM 0 HZ2 TRP B 77 2.424 -1.733 -1.498 1.00 0.57 H new ATOM 0 HZ3 TRP B 77 1.781 -1.742 -5.726 1.00 0.55 H new ATOM 0 HH2 TRP B 77 2.386 -2.954 -3.663 1.00 0.63 H new ATOM 2882 N ARG B 78 -1.461 5.531 -3.101 1.00 0.44 N ATOM 2883 CA ARG B 78 -1.890 6.649 -2.282 1.00 0.49 C ATOM 2884 C ARG B 78 -3.398 6.615 -1.981 1.00 0.51 C ATOM 2885 O ARG B 78 -3.755 6.748 -0.812 1.00 0.55 O ATOM 2886 CB ARG B 78 -1.361 7.983 -2.829 1.00 0.59 C ATOM 2887 CG ARG B 78 -1.520 8.309 -4.322 1.00 1.32 C ATOM 2888 CD ARG B 78 -0.629 9.535 -4.585 1.00 1.21 C ATOM 2889 NE ARG B 78 -0.622 10.006 -5.984 1.00 2.21 N ATOM 2890 CZ ARG B 78 0.110 11.048 -6.413 1.00 2.98 C ATOM 2891 NH1 ARG B 78 0.875 11.734 -5.556 1.00 3.31 N ATOM 2892 NH2 ARG B 78 0.075 11.401 -7.697 1.00 4.19 N ATOM 0 H ARG B 78 -0.862 5.785 -3.887 1.00 0.44 H new ATOM 0 HA ARG B 78 -1.429 6.546 -1.300 1.00 0.49 H new ATOM 0 HB2 ARG B 78 -1.847 8.781 -2.268 1.00 0.59 H new ATOM 0 HB3 ARG B 78 -0.297 8.032 -2.596 1.00 0.59 H new ATOM 0 HG2 ARG B 78 -1.215 7.465 -4.940 1.00 1.32 H new ATOM 0 HG3 ARG B 78 -2.561 8.523 -4.566 1.00 1.32 H new ATOM 0 HD2 ARG B 78 -0.960 10.351 -3.943 1.00 1.21 H new ATOM 0 HD3 ARG B 78 0.393 9.294 -4.292 1.00 1.21 H new ATOM 0 HE ARG B 78 -1.204 9.514 -6.662 1.00 2.21 H new ATOM 0 HH11 ARG B 78 0.904 11.467 -4.572 1.00 3.31 H new ATOM 0 HH12 ARG B 78 1.429 12.524 -5.887 1.00 3.31 H new ATOM 0 HH21 ARG B 78 -0.507 10.881 -8.353 1.00 4.19 H new ATOM 0 HH22 ARG B 78 0.630 12.192 -8.024 1.00 4.19 H new ATOM 2906 N LEU B 79 -4.287 6.366 -2.956 1.00 0.50 N ATOM 2907 CA LEU B 79 -5.722 6.347 -2.643 1.00 0.54 C ATOM 2908 C LEU B 79 -6.113 5.194 -1.706 1.00 0.50 C ATOM 2909 O LEU B 79 -6.969 5.386 -0.845 1.00 0.55 O ATOM 2910 CB LEU B 79 -6.634 6.392 -3.882 1.00 0.71 C ATOM 2911 CG LEU B 79 -6.789 7.810 -4.467 1.00 0.99 C ATOM 2912 CD1 LEU B 79 -5.474 8.497 -4.845 1.00 1.13 C ATOM 2913 CD2 LEU B 79 -7.689 7.771 -5.708 1.00 1.58 C ATOM 0 H LEU B 79 -4.050 6.182 -3.931 1.00 0.50 H new ATOM 0 HA LEU B 79 -5.893 7.280 -2.106 1.00 0.54 H new ATOM 0 HB2 LEU B 79 -6.229 5.731 -4.648 1.00 0.71 H new ATOM 0 HB3 LEU B 79 -7.618 6.006 -3.616 1.00 0.71 H new ATOM 0 HG LEU B 79 -7.231 8.399 -3.664 1.00 0.99 H new ATOM 0 HD11 LEU B 79 -5.684 9.488 -5.247 1.00 1.13 H new ATOM 0 HD12 LEU B 79 -4.845 8.590 -3.960 1.00 1.13 H new ATOM 0 HD13 LEU B 79 -4.956 7.902 -5.598 1.00 1.13 H new ATOM 0 HD21 LEU B 79 -7.793 8.777 -6.114 1.00 1.58 H new ATOM 0 HD22 LEU B 79 -7.243 7.120 -6.460 1.00 1.58 H new ATOM 0 HD23 LEU B 79 -8.672 7.388 -5.433 1.00 1.58 H new ATOM 2925 N ILE B 80 -5.530 3.994 -1.816 1.00 0.45 N ATOM 2926 CA ILE B 80 -5.866 2.950 -0.839 1.00 0.44 C ATOM 2927 C ILE B 80 -5.207 3.235 0.514 1.00 0.45 C ATOM 2928 O ILE B 80 -5.733 2.874 1.562 1.00 0.47 O ATOM 2929 CB ILE B 80 -5.631 1.517 -1.354 1.00 0.46 C ATOM 2930 CG1 ILE B 80 -4.149 1.144 -1.533 1.00 0.72 C ATOM 2931 CG2 ILE B 80 -6.317 1.341 -2.699 1.00 0.63 C ATOM 2932 CD1 ILE B 80 -3.850 -0.267 -1.016 1.00 0.45 C ATOM 0 H ILE B 80 -4.856 3.728 -2.534 1.00 0.45 H new ATOM 0 HA ILE B 80 -6.944 2.994 -0.685 1.00 0.44 H new ATOM 0 HB ILE B 80 -6.044 0.860 -0.588 1.00 0.46 H new ATOM 0 HG12 ILE B 80 -3.883 1.208 -2.588 1.00 0.72 H new ATOM 0 HG13 ILE B 80 -3.526 1.865 -1.003 1.00 0.72 H new ATOM 0 HG21 ILE B 80 -6.150 0.327 -3.063 1.00 0.63 H new ATOM 0 HG22 ILE B 80 -7.387 1.515 -2.587 1.00 0.63 H new ATOM 0 HG23 ILE B 80 -5.906 2.055 -3.413 1.00 0.63 H new ATOM 0 HD11 ILE B 80 -2.793 -0.491 -1.161 1.00 0.45 H new ATOM 0 HD12 ILE B 80 -4.091 -0.324 0.046 1.00 0.45 H new ATOM 0 HD13 ILE B 80 -4.453 -0.991 -1.564 1.00 0.45 H new ATOM 2944 N GLY B 81 -4.083 3.947 0.501 1.00 0.45 N ATOM 2945 CA GLY B 81 -3.554 4.600 1.684 1.00 0.48 C ATOM 2946 C GLY B 81 -4.563 5.562 2.292 1.00 0.48 C ATOM 2947 O GLY B 81 -4.691 5.671 3.514 1.00 0.54 O ATOM 0 H GLY B 81 -3.516 4.085 -0.335 1.00 0.45 H new ATOM 0 HA2 GLY B 81 -3.277 3.848 2.422 1.00 0.48 H new ATOM 0 HA3 GLY B 81 -2.644 5.142 1.425 1.00 0.48 H new ATOM 2951 N GLU B 82 -5.277 6.294 1.442 1.00 0.54 N ATOM 2952 CA GLU B 82 -6.400 7.076 1.893 1.00 0.61 C ATOM 2953 C GLU B 82 -7.481 6.164 2.471 1.00 0.58 C ATOM 2954 O GLU B 82 -7.902 6.441 3.584 1.00 0.59 O ATOM 2955 CB GLU B 82 -6.858 8.078 0.836 1.00 0.68 C ATOM 2956 CG GLU B 82 -5.759 9.139 0.649 1.00 0.70 C ATOM 2957 CD GLU B 82 -6.169 10.243 -0.307 1.00 1.73 C ATOM 2958 OE1 GLU B 82 -6.525 9.904 -1.454 1.00 3.01 O ATOM 2959 OE2 GLU B 82 -6.148 11.403 0.162 1.00 2.64 O ATOM 0 H GLU B 82 -5.090 6.355 0.441 1.00 0.54 H new ATOM 0 HA GLU B 82 -6.098 7.715 2.723 1.00 0.61 H new ATOM 0 HB2 GLU B 82 -7.055 7.568 -0.107 1.00 0.68 H new ATOM 0 HB3 GLU B 82 -7.791 8.551 1.143 1.00 0.68 H new ATOM 0 HG2 GLU B 82 -5.512 9.575 1.617 1.00 0.70 H new ATOM 0 HG3 GLU B 82 -4.855 8.658 0.276 1.00 0.70 H new ATOM 2966 N LEU B 83 -7.853 5.037 1.843 1.00 0.59 N ATOM 2967 CA LEU B 83 -8.760 4.092 2.516 1.00 0.62 C ATOM 2968 C LEU B 83 -8.253 3.752 3.923 1.00 0.56 C ATOM 2969 O LEU B 83 -9.001 3.881 4.898 1.00 0.65 O ATOM 2970 CB LEU B 83 -9.038 2.797 1.725 1.00 0.86 C ATOM 2971 CG LEU B 83 -10.197 2.831 0.711 1.00 1.05 C ATOM 2972 CD1 LEU B 83 -11.477 3.445 1.286 1.00 2.24 C ATOM 2973 CD2 LEU B 83 -9.820 3.531 -0.593 1.00 2.62 C ATOM 0 H LEU B 83 -7.554 4.764 0.907 1.00 0.59 H new ATOM 0 HA LEU B 83 -9.714 4.614 2.581 1.00 0.62 H new ATOM 0 HB2 LEU B 83 -8.128 2.525 1.190 1.00 0.86 H new ATOM 0 HB3 LEU B 83 -9.238 1.999 2.441 1.00 0.86 H new ATOM 0 HG LEU B 83 -10.402 1.784 0.486 1.00 1.05 H new ATOM 0 HD11 LEU B 83 -12.257 3.441 0.524 1.00 2.24 H new ATOM 0 HD12 LEU B 83 -11.806 2.861 2.146 1.00 2.24 H new ATOM 0 HD13 LEU B 83 -11.280 4.471 1.598 1.00 2.24 H new ATOM 0 HD21 LEU B 83 -10.675 3.525 -1.269 1.00 2.62 H new ATOM 0 HD22 LEU B 83 -9.531 4.561 -0.383 1.00 2.62 H new ATOM 0 HD23 LEU B 83 -8.985 3.008 -1.059 1.00 2.62 H new ATOM 2985 N ALA B 84 -6.983 3.342 4.044 1.00 0.54 N ATOM 2986 CA ALA B 84 -6.372 3.074 5.337 1.00 0.64 C ATOM 2987 C ALA B 84 -6.593 4.220 6.336 1.00 0.72 C ATOM 2988 O ALA B 84 -6.945 3.939 7.482 1.00 0.80 O ATOM 2989 CB ALA B 84 -4.888 2.735 5.170 1.00 0.67 C ATOM 0 H ALA B 84 -6.361 3.190 3.250 1.00 0.54 H new ATOM 0 HA ALA B 84 -6.870 2.203 5.764 1.00 0.64 H new ATOM 0 HB1 ALA B 84 -4.448 2.538 6.147 1.00 0.67 H new ATOM 0 HB2 ALA B 84 -4.785 1.851 4.540 1.00 0.67 H new ATOM 0 HB3 ALA B 84 -4.373 3.575 4.703 1.00 0.67 H new ATOM 2995 N LYS B 85 -6.391 5.472 5.907 1.00 0.82 N ATOM 2996 CA LYS B 85 -6.580 6.697 6.692 1.00 1.08 C ATOM 2997 C LYS B 85 -8.045 6.909 7.093 1.00 1.08 C ATOM 2998 O LYS B 85 -8.361 7.090 8.268 1.00 1.30 O ATOM 2999 CB LYS B 85 -6.078 7.879 5.838 1.00 1.34 C ATOM 3000 CG LYS B 85 -6.046 9.276 6.481 1.00 1.29 C ATOM 3001 CD LYS B 85 -6.386 10.320 5.402 1.00 1.53 C ATOM 3002 CE LYS B 85 -6.039 11.759 5.816 1.00 2.15 C ATOM 3003 NZ LYS B 85 -6.504 12.742 4.810 1.00 2.96 N ATOM 0 H LYS B 85 -6.076 5.667 4.957 1.00 0.82 H new ATOM 0 HA LYS B 85 -6.017 6.619 7.622 1.00 1.08 H new ATOM 0 HB2 LYS B 85 -5.068 7.643 5.503 1.00 1.34 H new ATOM 0 HB3 LYS B 85 -6.704 7.936 4.947 1.00 1.34 H new ATOM 0 HG2 LYS B 85 -6.762 9.332 7.301 1.00 1.29 H new ATOM 0 HG3 LYS B 85 -5.061 9.476 6.904 1.00 1.29 H new ATOM 0 HD2 LYS B 85 -5.849 10.074 4.486 1.00 1.53 H new ATOM 0 HD3 LYS B 85 -7.450 10.262 5.173 1.00 1.53 H new ATOM 0 HE2 LYS B 85 -6.495 11.981 6.781 1.00 2.15 H new ATOM 0 HE3 LYS B 85 -4.961 11.851 5.945 1.00 2.15 H new ATOM 0 HZ1 LYS B 85 -5.853 13.553 4.790 1.00 2.96 H new ATOM 0 HZ2 LYS B 85 -6.528 12.294 3.872 1.00 2.96 H new ATOM 0 HZ3 LYS B 85 -7.458 13.070 5.061 1.00 2.96 H new ATOM 3017 N GLU B 86 -8.921 6.957 6.093 1.00 0.95 N ATOM 3018 CA GLU B 86 -10.355 7.133 6.176 1.00 1.03 C ATOM 3019 C GLU B 86 -10.949 6.184 7.215 1.00 1.15 C ATOM 3020 O GLU B 86 -11.468 6.646 8.235 1.00 1.32 O ATOM 3021 CB GLU B 86 -10.924 6.891 4.776 1.00 0.94 C ATOM 3022 CG GLU B 86 -10.804 8.156 3.901 1.00 1.16 C ATOM 3023 CD GLU B 86 -10.982 7.820 2.431 1.00 1.40 C ATOM 3024 OE1 GLU B 86 -10.183 7.025 1.897 1.00 2.11 O ATOM 3025 OE2 GLU B 86 -11.923 8.339 1.802 1.00 2.59 O ATOM 0 H GLU B 86 -8.612 6.865 5.125 1.00 0.95 H new ATOM 0 HA GLU B 86 -10.612 8.141 6.502 1.00 1.03 H new ATOM 0 HB2 GLU B 86 -10.393 6.066 4.302 1.00 0.94 H new ATOM 0 HB3 GLU B 86 -11.970 6.595 4.852 1.00 0.94 H new ATOM 0 HG2 GLU B 86 -11.555 8.885 4.205 1.00 1.16 H new ATOM 0 HG3 GLU B 86 -9.830 8.619 4.056 1.00 1.16 H new ATOM 3032 N ILE B 87 -10.897 4.872 6.978 1.00 1.12 N ATOM 3033 CA ILE B 87 -11.572 3.916 7.842 1.00 1.24 C ATOM 3034 C ILE B 87 -10.711 3.603 9.082 1.00 1.35 C ATOM 3035 O ILE B 87 -9.709 2.885 9.019 1.00 1.34 O ATOM 3036 CB ILE B 87 -12.056 2.705 7.015 1.00 1.24 C ATOM 3037 CG1 ILE B 87 -13.308 2.033 7.607 1.00 1.53 C ATOM 3038 CG2 ILE B 87 -10.976 1.664 6.704 1.00 1.44 C ATOM 3039 CD1 ILE B 87 -13.224 1.733 9.106 1.00 2.16 C ATOM 0 H ILE B 87 -10.394 4.453 6.196 1.00 1.12 H new ATOM 0 HA ILE B 87 -12.484 4.341 8.260 1.00 1.24 H new ATOM 0 HB ILE B 87 -12.330 3.148 6.058 1.00 1.24 H new ATOM 0 HG12 ILE B 87 -14.169 2.677 7.427 1.00 1.53 H new ATOM 0 HG13 ILE B 87 -13.490 1.100 7.073 1.00 1.53 H new ATOM 0 HG21 ILE B 87 -11.410 0.852 6.120 1.00 1.44 H new ATOM 0 HG22 ILE B 87 -10.173 2.132 6.134 1.00 1.44 H new ATOM 0 HG23 ILE B 87 -10.575 1.266 7.636 1.00 1.44 H new ATOM 0 HD11 ILE B 87 -14.150 1.261 9.435 1.00 2.16 H new ATOM 0 HD12 ILE B 87 -12.386 1.062 9.296 1.00 2.16 H new ATOM 0 HD13 ILE B 87 -13.076 2.663 9.655 1.00 2.16 H new ATOM 3051 N ARG B 88 -11.131 4.108 10.249 1.00 1.55 N ATOM 3052 CA ARG B 88 -10.455 3.885 11.526 1.00 1.66 C ATOM 3053 C ARG B 88 -10.867 2.500 12.052 1.00 1.71 C ATOM 3054 O ARG B 88 -11.626 2.361 13.019 1.00 2.06 O ATOM 3055 CB ARG B 88 -10.799 5.006 12.525 1.00 1.93 C ATOM 3056 CG ARG B 88 -9.985 6.297 12.331 1.00 2.70 C ATOM 3057 CD ARG B 88 -10.239 7.012 10.999 1.00 3.27 C ATOM 3058 NE ARG B 88 -9.566 8.322 10.964 1.00 4.58 N ATOM 3059 CZ ARG B 88 -9.772 9.284 10.044 1.00 5.76 C ATOM 3060 NH1 ARG B 88 -10.604 9.078 9.019 1.00 6.19 N ATOM 3061 NH2 ARG B 88 -9.153 10.464 10.170 1.00 6.98 N ATOM 0 H ARG B 88 -11.964 4.692 10.330 1.00 1.55 H new ATOM 0 HA ARG B 88 -9.373 3.908 11.393 1.00 1.66 H new ATOM 0 HB2 ARG B 88 -11.860 5.242 12.437 1.00 1.93 H new ATOM 0 HB3 ARG B 88 -10.637 4.637 13.538 1.00 1.93 H new ATOM 0 HG2 ARG B 88 -10.214 6.983 13.147 1.00 2.70 H new ATOM 0 HG3 ARG B 88 -8.924 6.058 12.404 1.00 2.70 H new ATOM 0 HD2 ARG B 88 -9.880 6.393 10.176 1.00 3.27 H new ATOM 0 HD3 ARG B 88 -11.311 7.146 10.853 1.00 3.27 H new ATOM 0 HE ARG B 88 -8.886 8.517 11.699 1.00 4.58 H new ATOM 0 HH11 ARG B 88 -11.090 8.186 8.928 1.00 6.19 H new ATOM 0 HH12 ARG B 88 -10.753 9.813 8.328 1.00 6.19 H new ATOM 0 HH21 ARG B 88 -8.529 10.631 10.960 1.00 6.98 H new ATOM 0 HH22 ARG B 88 -9.305 11.196 9.476 1.00 6.98 H new ATOM 3075 N LYS B 89 -10.325 1.495 11.360 1.00 1.54 N ATOM 3076 CA LYS B 89 -10.559 0.058 11.468 1.00 1.54 C ATOM 3077 C LYS B 89 -10.142 -0.536 12.819 1.00 1.65 C ATOM 3078 O LYS B 89 -10.628 -1.596 13.204 1.00 1.68 O ATOM 3079 CB LYS B 89 -9.829 -0.617 10.294 1.00 1.70 C ATOM 3080 CG LYS B 89 -8.301 -0.571 10.453 1.00 2.26 C ATOM 3081 CD LYS B 89 -7.537 -0.902 9.162 1.00 1.91 C ATOM 3082 CE LYS B 89 -7.627 0.149 8.037 1.00 2.76 C ATOM 3083 NZ LYS B 89 -7.468 1.539 8.525 1.00 4.78 N ATOM 0 H LYS B 89 -9.638 1.693 10.633 1.00 1.54 H new ATOM 0 HA LYS B 89 -11.632 -0.129 11.416 1.00 1.54 H new ATOM 0 HB2 LYS B 89 -10.153 -1.655 10.216 1.00 1.70 H new ATOM 0 HB3 LYS B 89 -10.110 -0.125 9.363 1.00 1.70 H new ATOM 0 HG2 LYS B 89 -8.009 0.423 10.793 1.00 2.26 H new ATOM 0 HG3 LYS B 89 -8.004 -1.274 11.231 1.00 2.26 H new ATOM 0 HD2 LYS B 89 -6.486 -1.049 9.412 1.00 1.91 H new ATOM 0 HD3 LYS B 89 -7.909 -1.851 8.776 1.00 1.91 H new ATOM 0 HE2 LYS B 89 -6.859 -0.058 7.292 1.00 2.76 H new ATOM 0 HE3 LYS B 89 -8.590 0.054 7.536 1.00 2.76 H new ATOM 0 HZ1 LYS B 89 -7.267 2.168 7.722 1.00 4.78 H new ATOM 0 HZ2 LYS B 89 -8.345 1.845 8.993 1.00 4.78 H new ATOM 0 HZ3 LYS B 89 -6.681 1.581 9.203 1.00 4.78 H new ATOM 3097 N LYS B 90 -9.275 0.165 13.558 1.00 1.95 N ATOM 3098 CA LYS B 90 -8.812 -0.237 14.884 1.00 2.39 C ATOM 3099 C LYS B 90 -7.970 -1.514 14.773 1.00 1.62 C ATOM 3100 O LYS B 90 -7.289 -1.698 13.767 1.00 2.70 O ATOM 3101 CB LYS B 90 -9.985 -0.350 15.883 1.00 4.06 C ATOM 3102 CG LYS B 90 -11.050 0.715 15.607 1.00 5.13 C ATOM 3103 CD LYS B 90 -12.099 0.821 16.715 1.00 6.91 C ATOM 3104 CE LYS B 90 -13.387 1.440 16.148 1.00 8.10 C ATOM 3105 NZ LYS B 90 -13.128 2.626 15.301 1.00 8.78 N ATOM 0 H LYS B 90 -8.869 1.046 13.241 1.00 1.95 H new ATOM 0 HA LYS B 90 -8.164 0.538 15.294 1.00 2.39 H new ATOM 0 HB2 LYS B 90 -10.432 -1.342 15.813 1.00 4.06 H new ATOM 0 HB3 LYS B 90 -9.611 -0.240 16.901 1.00 4.06 H new ATOM 0 HG2 LYS B 90 -10.563 1.682 15.483 1.00 5.13 H new ATOM 0 HG3 LYS B 90 -11.548 0.486 14.665 1.00 5.13 H new ATOM 0 HD2 LYS B 90 -12.309 -0.166 17.127 1.00 6.91 H new ATOM 0 HD3 LYS B 90 -11.719 1.433 17.533 1.00 6.91 H new ATOM 0 HE2 LYS B 90 -13.918 0.690 15.562 1.00 8.10 H new ATOM 0 HE3 LYS B 90 -14.042 1.723 16.972 1.00 8.10 H new ATOM 0 HZ1 LYS B 90 -14.012 3.158 15.169 1.00 8.78 H new ATOM 0 HZ2 LYS B 90 -12.423 3.235 15.763 1.00 8.78 H new ATOM 0 HZ3 LYS B 90 -12.767 2.319 14.375 1.00 8.78 H new ATOM 3119 N LYS B 91 -8.019 -2.383 15.788 1.00 1.97 N ATOM 3120 CA LYS B 91 -7.427 -3.714 15.734 1.00 2.67 C ATOM 3121 C LYS B 91 -8.466 -4.755 15.312 1.00 2.40 C ATOM 3122 O LYS B 91 -8.111 -5.857 14.900 1.00 2.93 O ATOM 3123 CB LYS B 91 -6.741 -4.086 17.063 1.00 4.29 C ATOM 3124 CG LYS B 91 -7.651 -4.289 18.291 1.00 4.43 C ATOM 3125 CD LYS B 91 -7.881 -2.998 19.093 1.00 4.68 C ATOM 3126 CE LYS B 91 -8.642 -3.245 20.405 1.00 5.16 C ATOM 3127 NZ LYS B 91 -10.038 -3.672 20.177 1.00 5.29 N ATOM 0 H LYS B 91 -8.476 -2.176 16.676 1.00 1.97 H new ATOM 0 HA LYS B 91 -6.646 -3.703 14.973 1.00 2.67 H new ATOM 0 HB2 LYS B 91 -6.175 -5.004 16.906 1.00 4.29 H new ATOM 0 HB3 LYS B 91 -6.020 -3.304 17.302 1.00 4.29 H new ATOM 0 HG2 LYS B 91 -8.613 -4.681 17.961 1.00 4.43 H new ATOM 0 HG3 LYS B 91 -7.207 -5.041 18.944 1.00 4.43 H new ATOM 0 HD2 LYS B 91 -6.919 -2.537 19.317 1.00 4.68 H new ATOM 0 HD3 LYS B 91 -8.439 -2.289 18.481 1.00 4.68 H new ATOM 0 HE2 LYS B 91 -8.122 -4.008 20.985 1.00 5.16 H new ATOM 0 HE3 LYS B 91 -8.637 -2.333 21.001 1.00 5.16 H new ATOM 0 HZ1 LYS B 91 -10.573 -3.597 21.065 1.00 5.29 H new ATOM 0 HZ2 LYS B 91 -10.475 -3.061 19.457 1.00 5.29 H new ATOM 0 HZ3 LYS B 91 -10.050 -4.658 19.848 1.00 5.29 H new ATOM 3141 N ASP B 92 -9.757 -4.441 15.439 1.00 2.10 N ATOM 3142 CA ASP B 92 -10.808 -5.443 15.408 1.00 2.30 C ATOM 3143 C ASP B 92 -11.329 -5.574 13.980 1.00 1.76 C ATOM 3144 O ASP B 92 -12.531 -5.518 13.738 1.00 1.93 O ATOM 3145 CB ASP B 92 -11.914 -4.989 16.378 1.00 3.02 C ATOM 3146 CG ASP B 92 -11.347 -4.519 17.704 1.00 4.15 C ATOM 3147 OD1 ASP B 92 -11.092 -5.365 18.588 1.00 4.97 O ATOM 3148 OD2 ASP B 92 -11.067 -3.303 17.839 1.00 4.87 O ATOM 0 H ASP B 92 -10.096 -3.487 15.565 1.00 2.10 H new ATOM 0 HA ASP B 92 -10.442 -6.422 15.718 1.00 2.30 H new ATOM 0 HB2 ASP B 92 -12.488 -4.182 15.922 1.00 3.02 H new ATOM 0 HB3 ASP B 92 -12.606 -5.813 16.551 1.00 3.02 H new ATOM 3153 N LEU B 93 -10.434 -5.830 13.025 1.00 1.42 N ATOM 3154 CA LEU B 93 -10.790 -5.752 11.609 1.00 1.08 C ATOM 3155 C LEU B 93 -11.811 -6.842 11.298 1.00 0.87 C ATOM 3156 O LEU B 93 -12.833 -6.621 10.652 1.00 0.91 O ATOM 3157 CB LEU B 93 -9.563 -5.930 10.700 1.00 1.50 C ATOM 3158 CG LEU B 93 -8.240 -5.236 11.083 1.00 2.09 C ATOM 3159 CD1 LEU B 93 -8.406 -3.897 11.796 1.00 3.09 C ATOM 3160 CD2 LEU B 93 -7.292 -6.189 11.822 1.00 3.39 C ATOM 0 H LEU B 93 -9.465 -6.091 13.205 1.00 1.42 H new ATOM 0 HA LEU B 93 -11.206 -4.764 11.415 1.00 1.08 H new ATOM 0 HB2 LEU B 93 -9.363 -6.999 10.623 1.00 1.50 H new ATOM 0 HB3 LEU B 93 -9.839 -5.585 9.704 1.00 1.50 H new ATOM 0 HG LEU B 93 -7.769 -4.974 10.136 1.00 2.09 H new ATOM 0 HD11 LEU B 93 -7.424 -3.483 12.026 1.00 3.09 H new ATOM 0 HD12 LEU B 93 -8.949 -3.206 11.151 1.00 3.09 H new ATOM 0 HD13 LEU B 93 -8.964 -4.044 12.721 1.00 3.09 H new ATOM 0 HD21 LEU B 93 -6.371 -5.663 12.075 1.00 3.39 H new ATOM 0 HD22 LEU B 93 -7.770 -6.542 12.735 1.00 3.39 H new ATOM 0 HD23 LEU B 93 -7.060 -7.040 11.182 1.00 3.39 H new ATOM 3172 N LYS B 94 -11.531 -8.024 11.845 1.00 1.00 N ATOM 3173 CA LYS B 94 -12.334 -9.228 11.764 1.00 1.12 C ATOM 3174 C LYS B 94 -13.739 -9.040 12.348 1.00 1.22 C ATOM 3175 O LYS B 94 -14.652 -9.811 12.047 1.00 1.38 O ATOM 3176 CB LYS B 94 -11.551 -10.366 12.427 1.00 1.58 C ATOM 3177 CG LYS B 94 -10.210 -10.546 11.691 1.00 2.20 C ATOM 3178 CD LYS B 94 -9.591 -11.928 11.917 1.00 3.18 C ATOM 3179 CE LYS B 94 -9.055 -12.083 13.343 1.00 4.41 C ATOM 3180 NZ LYS B 94 -8.403 -13.393 13.522 1.00 5.79 N ATOM 0 H LYS B 94 -10.681 -8.168 12.390 1.00 1.00 H new ATOM 0 HA LYS B 94 -12.513 -9.481 10.719 1.00 1.12 H new ATOM 0 HB2 LYS B 94 -11.376 -10.140 13.479 1.00 1.58 H new ATOM 0 HB3 LYS B 94 -12.127 -11.290 12.391 1.00 1.58 H new ATOM 0 HG2 LYS B 94 -10.363 -10.392 10.623 1.00 2.20 H new ATOM 0 HG3 LYS B 94 -9.511 -9.780 12.027 1.00 2.20 H new ATOM 0 HD2 LYS B 94 -10.339 -12.697 11.724 1.00 3.18 H new ATOM 0 HD3 LYS B 94 -8.781 -12.085 11.205 1.00 3.18 H new ATOM 0 HE2 LYS B 94 -8.343 -11.286 13.556 1.00 4.41 H new ATOM 0 HE3 LYS B 94 -9.873 -11.979 14.056 1.00 4.41 H new ATOM 0 HZ1 LYS B 94 -8.048 -13.474 14.496 1.00 5.79 H new ATOM 0 HZ2 LYS B 94 -9.091 -14.151 13.340 1.00 5.79 H new ATOM 0 HZ3 LYS B 94 -7.609 -13.479 12.856 1.00 5.79 H new ATOM 3194 N ILE B 95 -13.954 -8.010 13.175 1.00 1.32 N ATOM 3195 CA ILE B 95 -15.306 -7.689 13.598 1.00 1.59 C ATOM 3196 C ILE B 95 -16.163 -7.227 12.419 1.00 1.64 C ATOM 3197 O ILE B 95 -17.386 -7.276 12.525 1.00 2.02 O ATOM 3198 CB ILE B 95 -15.319 -6.699 14.781 1.00 1.78 C ATOM 3199 CG1 ILE B 95 -16.413 -7.057 15.797 1.00 2.59 C ATOM 3200 CG2 ILE B 95 -15.554 -5.244 14.367 1.00 2.77 C ATOM 3201 CD1 ILE B 95 -15.912 -8.141 16.745 1.00 2.59 C ATOM 0 H ILE B 95 -13.225 -7.404 13.552 1.00 1.32 H new ATOM 0 HA ILE B 95 -15.764 -8.604 13.972 1.00 1.59 H new ATOM 0 HB ILE B 95 -14.324 -6.787 15.217 1.00 1.78 H new ATOM 0 HG12 ILE B 95 -16.698 -6.171 16.364 1.00 2.59 H new ATOM 0 HG13 ILE B 95 -17.306 -7.403 15.276 1.00 2.59 H new ATOM 0 HG21 ILE B 95 -15.550 -4.609 15.253 1.00 2.77 H new ATOM 0 HG22 ILE B 95 -14.762 -4.926 13.689 1.00 2.77 H new ATOM 0 HG23 ILE B 95 -16.518 -5.160 13.865 1.00 2.77 H new ATOM 0 HD11 ILE B 95 -16.695 -8.388 17.462 1.00 2.59 H new ATOM 0 HD12 ILE B 95 -15.649 -9.031 16.173 1.00 2.59 H new ATOM 0 HD13 ILE B 95 -15.033 -7.780 17.278 1.00 2.59 H new ATOM 3213 N ARG B 96 -15.541 -6.803 11.314 1.00 1.40 N ATOM 3214 CA ARG B 96 -16.172 -6.464 10.049 1.00 1.57 C ATOM 3215 C ARG B 96 -16.968 -5.165 10.173 1.00 2.08 C ATOM 3216 O ARG B 96 -16.571 -4.146 9.616 1.00 3.13 O ATOM 3217 CB ARG B 96 -17.035 -7.606 9.504 1.00 1.70 C ATOM 3218 CG ARG B 96 -16.246 -8.908 9.313 1.00 1.98 C ATOM 3219 CD ARG B 96 -17.032 -10.137 9.788 1.00 2.81 C ATOM 3220 NE ARG B 96 -17.331 -10.062 11.225 1.00 4.06 N ATOM 3221 CZ ARG B 96 -18.560 -9.950 11.758 1.00 4.54 C ATOM 3222 NH1 ARG B 96 -19.649 -10.219 11.038 1.00 3.87 N ATOM 3223 NH2 ARG B 96 -18.708 -9.498 13.001 1.00 6.24 N ATOM 0 H ARG B 96 -14.529 -6.683 11.284 1.00 1.40 H new ATOM 0 HA ARG B 96 -15.377 -6.306 9.321 1.00 1.57 H new ATOM 0 HB2 ARG B 96 -17.865 -7.786 10.187 1.00 1.70 H new ATOM 0 HB3 ARG B 96 -17.467 -7.305 8.550 1.00 1.70 H new ATOM 0 HG2 ARG B 96 -15.992 -9.026 8.259 1.00 1.98 H new ATOM 0 HG3 ARG B 96 -15.306 -8.845 9.862 1.00 1.98 H new ATOM 0 HD2 ARG B 96 -17.962 -10.215 9.225 1.00 2.81 H new ATOM 0 HD3 ARG B 96 -16.458 -11.040 9.581 1.00 2.81 H new ATOM 0 HE ARG B 96 -16.542 -10.098 11.870 1.00 4.06 H new ATOM 0 HH11 ARG B 96 -19.558 -10.515 10.066 1.00 3.87 H new ATOM 0 HH12 ARG B 96 -20.574 -10.129 11.459 1.00 3.87 H new ATOM 0 HH21 ARG B 96 -17.889 -9.236 13.549 1.00 6.24 H new ATOM 0 HH22 ARG B 96 -19.641 -9.413 13.405 1.00 6.24 H new