USER MOD reduce.3.24.130724 H: found=0, std=0, add=1148, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1153 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 39 GLN : amide:sc= 0.565 K(o=1.2,f=-1) USER MOD Set 1.2: B 40 LYS NZ :NH3+ -172:sc= 0.635 (180deg=-0.0321) USER MOD Set 2.1: A 82 MET CE :methyl 176:sc= 0 (180deg=-0.0115) USER MOD Set 2.2: B 27 HIS : no HE2:sc= 0.197 K(o=1.5,f=-6.4) USER MOD Set 2.3: B 69 ASN : amide:sc= 1.27 K(o=1.5,f=-4.1!) USER MOD Set 3.1: B 18 LYS NZ :NH3+ -126:sc= 0.356 (180deg=0.279) USER MOD Set 3.2: B 19 TYR OH : rot 14:sc= 1.2 USER MOD Set 4.1: A 39 GLN : amide:sc= 0.753 K(o=1.5,f=-5.5!) USER MOD Set 4.2: A 40 LYS NZ :NH3+ -169:sc= 0.773 (180deg=-0.243) USER MOD Set 5.1: A 17 HIS : no HE2:sc= 0.928 K(o=2.8,f=-4.4!) USER MOD Set 5.2: A 20 SER OG : rot 75:sc= 1.92 USER MOD Single : A 3 SER OG : rot 167:sc= 1.64 USER MOD Single : A 7 GLN : amide:sc= -0.452 X(o=-0.45,f=-0.026) USER MOD Single : A 18 LYS NZ :NH3+ -172:sc=-0.00983 (180deg=-0.09) USER MOD Single : A 19 TYR OH : rot -12:sc= 1.23 USER MOD Single : A 28 THR OG1 : rot -33:sc= 0.25 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0504) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -137:sc= 0 (180deg=-1.2) USER MOD Single : A 57 MET CE :methyl 158:sc= -0.0538 (180deg=-1.15) USER MOD Single : A 69 ASN : amide:sc=-0.00919 K(o=-0.0092,f=-3.7!) USER MOD Single : A 71 GLN : amide:sc= -0.3 K(o=-0.3,f=-3.1!) USER MOD Single : A 73 TYR OH : rot 162:sc= 1.01 USER MOD Single : A 75 THR OG1 : rot 73:sc= 1.19 USER MOD Single : A 84 TYR OH : rot 33:sc= 1.2 USER MOD Single : A 85 ASN : amide:sc= 1.02 K(o=1,f=-0.019) USER MOD Single : B 3 SER OG : rot -168:sc= 0.894 USER MOD Single : B 7 GLN : amide:sc= 0.88 K(o=0.88,f=-0.036) USER MOD Single : B 17 HIS : no HE2:sc= 0.309 K(o=0.31,f=-2.4!) USER MOD Single : B 20 SER OG : rot -154:sc= 0.606 USER MOD Single : B 28 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot -46:sc= 1.31 USER MOD Single : B 31 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0493) USER MOD Single : B 32 LYS NZ :NH3+ 141:sc= 1.13 (180deg=0.166) USER MOD Single : B 35 LYS NZ :NH3+ -174:sc=-0.00202 (180deg=-0.052) USER MOD Single : B 55 LYS NZ :NH3+ -149:sc= 0 (180deg=-1.78) USER MOD Single : B 57 MET CE :methyl 161:sc= -0.0261 (180deg=-0.657) USER MOD Single : B 63 ASN : amide:sc= -0.301 K(o=-0.3,f=-2.1) USER MOD Single : B 71 GLN : amide:sc= -0.54 K(o=-0.54,f=-2.9!) USER MOD Single : B 73 TYR OH : rot 157:sc= 1.06 USER MOD Single : B 75 THR OG1 : rot 70:sc= 1.18 USER MOD Single : B 82 MET CE :methyl -170:sc= -0.016 (180deg=-0.161) USER MOD Single : B 84 TYR OH : rot 180:sc= 0 USER MOD Single : B 85 ASN : amide:sc= 0.883 K(o=0.88,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -7.808 -6.981 -8.787 1.00 0.00 N ATOM 21 CA ALA A 2 -7.578 -5.775 -8.006 1.00 0.00 C ATOM 22 C ALA A 2 -8.538 -5.739 -6.815 1.00 0.00 C ATOM 23 O ALA A 2 -9.585 -5.096 -6.865 1.00 0.00 O ATOM 24 CB ALA A 2 -7.705 -4.530 -8.887 1.00 0.00 C ATOM 0 HA ALA A 2 -6.561 -5.785 -7.615 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -7.530 -3.639 -8.285 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.969 -4.576 -9.690 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.707 -4.488 -9.315 1.00 0.00 H new ATOM 30 N SER A 3 -8.177 -6.452 -5.748 1.00 0.00 N ATOM 31 CA SER A 3 -8.887 -6.447 -4.480 1.00 0.00 C ATOM 32 C SER A 3 -9.048 -5.021 -3.940 1.00 0.00 C ATOM 33 O SER A 3 -8.301 -4.128 -4.343 1.00 0.00 O ATOM 34 CB SER A 3 -8.076 -7.285 -3.484 1.00 0.00 C ATOM 35 OG SER A 3 -6.766 -6.773 -3.349 1.00 0.00 O ATOM 0 H SER A 3 -7.360 -7.063 -5.747 1.00 0.00 H new ATOM 0 HA SER A 3 -9.885 -6.863 -4.621 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.573 -7.287 -2.514 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.034 -8.320 -3.822 1.00 0.00 H new ATOM 0 HG SER A 3 -6.333 -7.182 -2.571 1.00 0.00 H new ATOM 41 N PRO A 4 -9.963 -4.798 -2.980 1.00 0.00 N ATOM 42 CA PRO A 4 -10.029 -3.545 -2.243 1.00 0.00 C ATOM 43 C PRO A 4 -8.640 -3.138 -1.743 1.00 0.00 C ATOM 44 O PRO A 4 -8.231 -1.995 -1.935 1.00 0.00 O ATOM 45 CB PRO A 4 -11.028 -3.774 -1.099 1.00 0.00 C ATOM 46 CG PRO A 4 -11.192 -5.293 -1.025 1.00 0.00 C ATOM 47 CD PRO A 4 -10.954 -5.731 -2.466 1.00 0.00 C ATOM 0 HA PRO A 4 -10.364 -2.719 -2.870 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.653 -3.370 -0.159 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -11.980 -3.282 -1.300 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -10.473 -5.744 -0.341 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.185 -5.576 -0.675 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.592 -6.758 -2.512 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -11.874 -5.691 -3.049 1.00 0.00 H new ATOM 55 N LEU A 5 -7.895 -4.080 -1.151 1.00 0.00 N ATOM 56 CA LEU A 5 -6.510 -3.837 -0.771 1.00 0.00 C ATOM 57 C LEU A 5 -5.675 -3.365 -1.955 1.00 0.00 C ATOM 58 O LEU A 5 -5.079 -2.295 -1.880 1.00 0.00 O ATOM 59 CB LEU A 5 -5.847 -5.081 -0.157 1.00 0.00 C ATOM 60 CG LEU A 5 -5.745 -5.085 1.375 1.00 0.00 C ATOM 61 CD1 LEU A 5 -4.735 -6.166 1.779 1.00 0.00 C ATOM 62 CD2 LEU A 5 -5.259 -3.763 1.991 1.00 0.00 C ATOM 0 H LEU A 5 -8.234 -5.016 -0.927 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.543 -3.051 -0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.408 -5.962 -0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.844 -5.179 -0.571 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.755 -5.260 1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.643 -6.190 2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -5.079 -7.137 1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.764 -5.940 1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.219 -3.860 3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.265 -3.528 1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.948 -2.962 1.724 1.00 0.00 H new ATOM 74 N ASP A 6 -5.585 -4.165 -3.021 1.00 0.00 N ATOM 75 CA ASP A 6 -4.741 -3.835 -4.163 1.00 0.00 C ATOM 76 C ASP A 6 -5.060 -2.426 -4.671 1.00 0.00 C ATOM 77 O ASP A 6 -4.162 -1.612 -4.874 1.00 0.00 O ATOM 78 CB ASP A 6 -4.938 -4.871 -5.270 1.00 0.00 C ATOM 79 CG ASP A 6 -4.097 -4.533 -6.495 1.00 0.00 C ATOM 80 OD1 ASP A 6 -2.904 -4.902 -6.484 1.00 0.00 O ATOM 81 OD2 ASP A 6 -4.667 -3.910 -7.418 1.00 0.00 O ATOM 0 H ASP A 6 -6.089 -5.047 -3.113 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.696 -3.853 -3.852 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.666 -5.859 -4.900 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.991 -4.914 -5.549 1.00 0.00 H new ATOM 86 N GLN A 7 -6.350 -2.141 -4.849 1.00 0.00 N ATOM 87 CA GLN A 7 -6.828 -0.858 -5.333 1.00 0.00 C ATOM 88 C GLN A 7 -6.413 0.260 -4.371 1.00 0.00 C ATOM 89 O GLN A 7 -5.870 1.274 -4.804 1.00 0.00 O ATOM 90 CB GLN A 7 -8.352 -0.935 -5.544 1.00 0.00 C ATOM 91 CG GLN A 7 -8.860 -0.115 -6.738 1.00 0.00 C ATOM 92 CD GLN A 7 -9.093 1.365 -6.449 1.00 0.00 C ATOM 93 OE1 GLN A 7 -10.229 1.821 -6.419 1.00 0.00 O ATOM 94 NE2 GLN A 7 -8.036 2.147 -6.261 1.00 0.00 N ATOM 0 H GLN A 7 -7.098 -2.808 -4.657 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.374 -0.620 -6.295 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.636 -1.978 -5.685 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.852 -0.588 -4.639 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.141 -0.202 -7.552 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.794 -0.553 -7.090 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -7.097 1.750 -6.289 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -8.164 3.144 -6.088 1.00 0.00 H new ATOM 103 N ALA A 8 -6.675 0.083 -3.075 1.00 0.00 N ATOM 104 CA ALA A 8 -6.382 1.070 -2.043 1.00 0.00 C ATOM 105 C ALA A 8 -4.879 1.355 -1.931 1.00 0.00 C ATOM 106 O ALA A 8 -4.453 2.508 -1.874 1.00 0.00 O ATOM 107 CB ALA A 8 -6.956 0.584 -0.718 1.00 0.00 C ATOM 0 H ALA A 8 -7.105 -0.767 -2.710 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.851 2.015 -2.317 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.742 1.315 0.061 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -8.035 0.459 -0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.502 -0.371 -0.453 1.00 0.00 H new ATOM 113 N ILE A 9 -4.062 0.300 -1.922 1.00 0.00 N ATOM 114 CA ILE A 9 -2.612 0.413 -2.000 1.00 0.00 C ATOM 115 C ILE A 9 -2.274 1.223 -3.255 1.00 0.00 C ATOM 116 O ILE A 9 -1.558 2.220 -3.173 1.00 0.00 O ATOM 117 CB ILE A 9 -1.966 -0.988 -1.978 1.00 0.00 C ATOM 118 CG1 ILE A 9 -2.165 -1.640 -0.595 1.00 0.00 C ATOM 119 CG2 ILE A 9 -0.471 -0.907 -2.312 1.00 0.00 C ATOM 120 CD1 ILE A 9 -1.876 -3.145 -0.603 1.00 0.00 C ATOM 0 H ILE A 9 -4.395 -0.662 -1.860 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.203 0.938 -1.137 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.453 -1.601 -2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.512 -1.153 0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.190 -1.473 -0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.039 -1.907 -2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.343 -0.478 -3.306 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.032 -0.278 -1.578 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.032 -3.551 0.396 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.547 -3.641 -1.305 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.843 -3.316 -0.906 1.00 0.00 H new ATOM 132 N GLY A 10 -2.839 0.827 -4.399 1.00 0.00 N ATOM 133 CA GLY A 10 -2.762 1.560 -5.653 1.00 0.00 C ATOM 134 C GLY A 10 -3.030 3.053 -5.462 1.00 0.00 C ATOM 135 O GLY A 10 -2.254 3.877 -5.933 1.00 0.00 O ATOM 0 H GLY A 10 -3.376 -0.037 -4.474 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.774 1.423 -6.093 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.485 1.149 -6.358 1.00 0.00 H new ATOM 139 N LEU A 11 -4.109 3.413 -4.762 1.00 0.00 N ATOM 140 CA LEU A 11 -4.419 4.799 -4.431 1.00 0.00 C ATOM 141 C LEU A 11 -3.268 5.459 -3.662 1.00 0.00 C ATOM 142 O LEU A 11 -2.782 6.502 -4.088 1.00 0.00 O ATOM 143 CB LEU A 11 -5.753 4.896 -3.671 1.00 0.00 C ATOM 144 CG LEU A 11 -6.955 5.053 -4.615 1.00 0.00 C ATOM 145 CD1 LEU A 11 -8.232 4.443 -4.020 1.00 0.00 C ATOM 146 CD2 LEU A 11 -7.209 6.541 -4.874 1.00 0.00 C ATOM 0 H LEU A 11 -4.794 2.744 -4.409 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.535 5.353 -5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.887 4.002 -3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.718 5.745 -2.988 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.716 4.529 -5.540 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.058 4.575 -4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.077 3.379 -3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.469 4.941 -3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.062 6.653 -5.544 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.420 7.044 -3.930 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.326 6.986 -5.333 1.00 0.00 H new ATOM 158 N LEU A 12 -2.819 4.888 -2.539 1.00 0.00 N ATOM 159 CA LEU A 12 -1.756 5.512 -1.740 1.00 0.00 C ATOM 160 C LEU A 12 -0.465 5.680 -2.554 1.00 0.00 C ATOM 161 O LEU A 12 0.169 6.740 -2.509 1.00 0.00 O ATOM 162 CB LEU A 12 -1.507 4.739 -0.433 1.00 0.00 C ATOM 163 CG LEU A 12 -2.389 5.237 0.729 1.00 0.00 C ATOM 164 CD1 LEU A 12 -3.876 5.062 0.435 1.00 0.00 C ATOM 165 CD2 LEU A 12 -2.071 4.473 2.015 1.00 0.00 C ATOM 0 H LEU A 12 -3.169 4.006 -2.165 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.097 6.510 -1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.698 3.679 -0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.458 4.834 -0.154 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.169 6.298 0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.459 5.426 1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.139 5.628 -0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.093 4.006 0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.705 4.840 2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.257 3.410 1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.024 4.624 2.278 1.00 0.00 H new ATOM 177 N ILE A 13 -0.077 4.644 -3.302 1.00 0.00 N ATOM 178 CA ILE A 13 1.051 4.696 -4.230 1.00 0.00 C ATOM 179 C ILE A 13 0.846 5.831 -5.239 1.00 0.00 C ATOM 180 O ILE A 13 1.717 6.685 -5.410 1.00 0.00 O ATOM 181 CB ILE A 13 1.224 3.334 -4.933 1.00 0.00 C ATOM 182 CG1 ILE A 13 1.648 2.263 -3.914 1.00 0.00 C ATOM 183 CG2 ILE A 13 2.254 3.424 -6.073 1.00 0.00 C ATOM 184 CD1 ILE A 13 1.744 0.878 -4.557 1.00 0.00 C ATOM 0 H ILE A 13 -0.543 3.737 -3.279 1.00 0.00 H new ATOM 0 HA ILE A 13 1.967 4.901 -3.676 1.00 0.00 H new ATOM 0 HB ILE A 13 0.265 3.052 -5.368 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.612 2.532 -3.483 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.929 2.235 -3.095 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.355 2.449 -6.550 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.919 4.155 -6.809 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.218 3.732 -5.669 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.046 0.148 -3.806 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.773 0.598 -4.965 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.482 0.900 -5.359 1.00 0.00 H new ATOM 196 N GLY A 14 -0.303 5.833 -5.915 1.00 0.00 N ATOM 197 CA GLY A 14 -0.662 6.816 -6.921 1.00 0.00 C ATOM 198 C GLY A 14 -0.535 8.225 -6.361 1.00 0.00 C ATOM 199 O GLY A 14 0.100 9.078 -6.971 1.00 0.00 O ATOM 0 H GLY A 14 -1.026 5.128 -5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.016 6.705 -7.792 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.684 6.643 -7.258 1.00 0.00 H new ATOM 203 N ILE A 15 -1.112 8.464 -5.183 1.00 0.00 N ATOM 204 CA ILE A 15 -1.010 9.740 -4.497 1.00 0.00 C ATOM 205 C ILE A 15 0.458 10.091 -4.251 1.00 0.00 C ATOM 206 O ILE A 15 0.853 11.228 -4.487 1.00 0.00 O ATOM 207 CB ILE A 15 -1.831 9.721 -3.197 1.00 0.00 C ATOM 208 CG1 ILE A 15 -3.343 9.648 -3.497 1.00 0.00 C ATOM 209 CG2 ILE A 15 -1.484 10.949 -2.346 1.00 0.00 C ATOM 210 CD1 ILE A 15 -3.995 10.989 -3.847 1.00 0.00 C ATOM 0 H ILE A 15 -1.665 7.770 -4.680 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.431 10.522 -5.129 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.574 8.826 -2.630 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.502 8.956 -4.324 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.851 9.229 -2.629 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.068 10.931 -1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.422 10.934 -2.102 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.715 11.856 -2.905 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.057 10.838 -4.042 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.874 11.681 -3.014 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.519 11.404 -4.735 1.00 0.00 H new ATOM 222 N PHE A 16 1.280 9.140 -3.794 1.00 0.00 N ATOM 223 CA PHE A 16 2.704 9.418 -3.640 1.00 0.00 C ATOM 224 C PHE A 16 3.287 9.901 -4.970 1.00 0.00 C ATOM 225 O PHE A 16 3.858 10.987 -5.054 1.00 0.00 O ATOM 226 CB PHE A 16 3.451 8.186 -3.114 1.00 0.00 C ATOM 227 CG PHE A 16 4.859 8.482 -2.634 1.00 0.00 C ATOM 228 CD1 PHE A 16 5.047 9.221 -1.452 1.00 0.00 C ATOM 229 CD2 PHE A 16 5.977 7.988 -3.330 1.00 0.00 C ATOM 230 CE1 PHE A 16 6.338 9.396 -0.925 1.00 0.00 C ATOM 231 CE2 PHE A 16 7.272 8.199 -2.822 1.00 0.00 C ATOM 232 CZ PHE A 16 7.453 8.892 -1.611 1.00 0.00 C ATOM 0 H PHE A 16 0.991 8.198 -3.532 1.00 0.00 H new ATOM 0 HA PHE A 16 2.830 10.210 -2.902 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.881 7.751 -2.293 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.497 7.436 -3.904 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.196 9.655 -0.948 1.00 0.00 H new ATOM 0 HD2 PHE A 16 5.841 7.447 -4.255 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.472 9.920 0.010 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.130 7.828 -3.363 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.446 9.035 -1.211 1.00 0.00 H new ATOM 242 N HIS A 17 3.106 9.110 -6.030 1.00 0.00 N ATOM 243 CA HIS A 17 3.667 9.428 -7.335 1.00 0.00 C ATOM 244 C HIS A 17 3.084 10.700 -7.956 1.00 0.00 C ATOM 245 O HIS A 17 3.782 11.382 -8.707 1.00 0.00 O ATOM 246 CB HIS A 17 3.591 8.220 -8.275 1.00 0.00 C ATOM 247 CG HIS A 17 4.753 7.285 -8.064 1.00 0.00 C ATOM 248 ND1 HIS A 17 6.077 7.613 -8.250 1.00 0.00 N ATOM 249 CD2 HIS A 17 4.704 5.999 -7.597 1.00 0.00 C ATOM 250 CE1 HIS A 17 6.811 6.540 -7.907 1.00 0.00 C ATOM 251 NE2 HIS A 17 6.018 5.531 -7.507 1.00 0.00 N ATOM 0 H HIS A 17 2.572 8.241 -6.004 1.00 0.00 H new ATOM 0 HA HIS A 17 4.721 9.655 -7.177 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.656 7.685 -8.107 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.581 8.562 -9.310 1.00 0.00 H new ATOM 0 HD1 HIS A 17 6.436 8.507 -8.586 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.811 5.446 -7.344 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.889 6.495 -7.947 1.00 0.00 H new ATOM 259 N LYS A 18 1.852 11.074 -7.611 1.00 0.00 N ATOM 260 CA LYS A 18 1.279 12.363 -7.979 1.00 0.00 C ATOM 261 C LYS A 18 2.211 13.513 -7.561 1.00 0.00 C ATOM 262 O LYS A 18 2.199 14.572 -8.187 1.00 0.00 O ATOM 263 CB LYS A 18 -0.130 12.473 -7.375 1.00 0.00 C ATOM 264 CG LYS A 18 -0.927 13.678 -7.891 1.00 0.00 C ATOM 265 CD LYS A 18 -2.330 13.736 -7.261 1.00 0.00 C ATOM 266 CE LYS A 18 -3.247 12.564 -7.638 1.00 0.00 C ATOM 267 NZ LYS A 18 -3.397 12.423 -9.096 1.00 0.00 N ATOM 0 H LYS A 18 1.222 10.486 -7.065 1.00 0.00 H new ATOM 0 HA LYS A 18 1.182 12.440 -9.062 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.683 11.560 -7.596 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.047 12.540 -6.290 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.387 14.597 -7.665 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.016 13.620 -8.976 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.226 13.765 -6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.810 14.667 -7.560 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.842 11.640 -7.225 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.228 12.712 -7.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.126 11.711 -9.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.679 13.336 -9.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.492 12.122 -9.511 1.00 0.00 H new ATOM 281 N TYR A 19 3.040 13.298 -6.532 1.00 0.00 N ATOM 282 CA TYR A 19 4.079 14.219 -6.099 1.00 0.00 C ATOM 283 C TYR A 19 5.416 13.466 -6.015 1.00 0.00 C ATOM 284 O TYR A 19 6.175 13.689 -5.075 1.00 0.00 O ATOM 285 CB TYR A 19 3.642 14.833 -4.754 1.00 0.00 C ATOM 286 CG TYR A 19 2.262 15.478 -4.772 1.00 0.00 C ATOM 287 CD1 TYR A 19 1.126 14.693 -4.505 1.00 0.00 C ATOM 288 CD2 TYR A 19 2.095 16.839 -5.095 1.00 0.00 C ATOM 289 CE1 TYR A 19 -0.159 15.261 -4.526 1.00 0.00 C ATOM 290 CE2 TYR A 19 0.805 17.398 -5.157 1.00 0.00 C ATOM 291 CZ TYR A 19 -0.322 16.614 -4.858 1.00 0.00 C ATOM 292 OH TYR A 19 -1.565 17.171 -4.907 1.00 0.00 O ATOM 0 H TYR A 19 2.999 12.451 -5.966 1.00 0.00 H new ATOM 0 HA TYR A 19 4.223 15.035 -6.807 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.655 14.054 -3.992 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.375 15.582 -4.456 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.243 13.643 -4.282 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.959 17.455 -5.296 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.021 14.656 -4.287 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.681 18.434 -5.436 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.242 16.463 -4.876 1.00 0.00 H new ATOM 302 N SER A 20 5.701 12.597 -7.005 1.00 0.00 N ATOM 303 CA SER A 20 6.895 11.747 -7.084 1.00 0.00 C ATOM 304 C SER A 20 8.151 12.460 -6.588 1.00 0.00 C ATOM 305 O SER A 20 8.711 13.253 -7.341 1.00 0.00 O ATOM 306 CB SER A 20 7.162 11.299 -8.532 1.00 0.00 C ATOM 307 OG SER A 20 6.249 10.321 -8.982 1.00 0.00 O ATOM 0 H SER A 20 5.077 12.466 -7.801 1.00 0.00 H new ATOM 0 HA SER A 20 6.688 10.889 -6.445 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.111 12.166 -9.190 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.175 10.903 -8.604 1.00 0.00 H new ATOM 0 HG SER A 20 5.385 10.743 -9.172 1.00 0.00 H new ATOM 415 N THR A 28 11.758 9.889 -2.168 1.00 0.00 N ATOM 416 CA THR A 28 11.899 10.837 -1.062 1.00 0.00 C ATOM 417 C THR A 28 11.294 12.212 -1.363 1.00 0.00 C ATOM 418 O THR A 28 11.585 12.792 -2.406 1.00 0.00 O ATOM 419 CB THR A 28 13.384 10.985 -0.716 1.00 0.00 C ATOM 420 OG1 THR A 28 14.144 11.228 -1.884 1.00 0.00 O ATOM 421 CG2 THR A 28 13.931 9.730 -0.031 1.00 0.00 C ATOM 0 HA THR A 28 11.342 10.434 -0.216 1.00 0.00 H new ATOM 0 HB THR A 28 13.469 11.829 -0.031 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.734 10.764 -2.643 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.987 9.872 0.199 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.379 9.549 0.892 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.817 8.874 -0.696 1.00 0.00 H new ATOM 429 N LEU A 29 10.506 12.760 -0.427 1.00 0.00 N ATOM 430 CA LEU A 29 9.905 14.088 -0.524 1.00 0.00 C ATOM 431 C LEU A 29 10.006 14.830 0.815 1.00 0.00 C ATOM 432 O LEU A 29 10.218 14.201 1.847 1.00 0.00 O ATOM 433 CB LEU A 29 8.464 14.023 -1.061 1.00 0.00 C ATOM 434 CG LEU A 29 7.624 12.779 -0.735 1.00 0.00 C ATOM 435 CD1 LEU A 29 7.486 12.593 0.776 1.00 0.00 C ATOM 436 CD2 LEU A 29 6.236 12.971 -1.358 1.00 0.00 C ATOM 0 H LEU A 29 10.266 12.276 0.438 1.00 0.00 H new ATOM 0 HA LEU A 29 10.472 14.666 -1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.929 14.895 -0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.508 14.120 -2.146 1.00 0.00 H new ATOM 0 HG LEU A 29 8.113 11.892 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.887 11.706 0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.474 12.474 1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.998 13.467 1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.617 12.101 -1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.769 13.862 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.335 13.087 -2.437 1.00 0.00 H new ATOM 448 N SER A 30 9.913 16.167 0.801 1.00 0.00 N ATOM 449 CA SER A 30 10.203 17.027 1.947 1.00 0.00 C ATOM 450 C SER A 30 8.978 17.829 2.415 1.00 0.00 C ATOM 451 O SER A 30 7.866 17.648 1.918 1.00 0.00 O ATOM 452 CB SER A 30 11.357 17.952 1.542 1.00 0.00 C ATOM 453 OG SER A 30 10.953 18.760 0.454 1.00 0.00 O ATOM 0 H SER A 30 9.627 16.688 -0.028 1.00 0.00 H new ATOM 0 HA SER A 30 10.482 16.410 2.801 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.649 18.578 2.385 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.231 17.362 1.266 1.00 0.00 H new ATOM 0 HG SER A 30 11.689 19.353 0.195 1.00 0.00 H new ATOM 459 N LYS A 31 9.202 18.732 3.380 1.00 0.00 N ATOM 460 CA LYS A 31 8.198 19.578 4.017 1.00 0.00 C ATOM 461 C LYS A 31 7.171 20.157 3.042 1.00 0.00 C ATOM 462 O LYS A 31 5.964 19.999 3.231 1.00 0.00 O ATOM 463 CB LYS A 31 8.892 20.681 4.837 1.00 0.00 C ATOM 464 CG LYS A 31 9.883 21.564 4.058 1.00 0.00 C ATOM 465 CD LYS A 31 10.732 22.384 5.036 1.00 0.00 C ATOM 466 CE LYS A 31 11.789 23.205 4.290 1.00 0.00 C ATOM 467 NZ LYS A 31 12.625 23.977 5.228 1.00 0.00 N ATOM 0 H LYS A 31 10.137 18.896 3.752 1.00 0.00 H new ATOM 0 HA LYS A 31 7.620 18.941 4.686 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.125 21.322 5.272 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.424 20.213 5.666 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.527 20.942 3.437 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.340 22.230 3.387 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.089 23.050 5.612 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.219 21.717 5.747 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.419 22.540 3.700 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.300 23.884 3.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.332 24.523 4.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.024 24.628 5.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.109 23.326 5.878 1.00 0.00 H new ATOM 481 N LYS A 32 7.657 20.836 2.001 1.00 0.00 N ATOM 482 CA LYS A 32 6.848 21.492 0.996 1.00 0.00 C ATOM 483 C LYS A 32 5.868 20.470 0.421 1.00 0.00 C ATOM 484 O LYS A 32 4.659 20.684 0.401 1.00 0.00 O ATOM 485 CB LYS A 32 7.799 22.077 -0.070 1.00 0.00 C ATOM 486 CG LYS A 32 7.273 23.349 -0.741 1.00 0.00 C ATOM 487 CD LYS A 32 5.907 23.168 -1.408 1.00 0.00 C ATOM 488 CE LYS A 32 5.894 22.164 -2.572 1.00 0.00 C ATOM 489 NZ LYS A 32 6.831 22.543 -3.643 1.00 0.00 N ATOM 0 H LYS A 32 8.658 20.942 1.838 1.00 0.00 H new ATOM 0 HA LYS A 32 6.259 22.312 1.407 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.760 22.295 0.395 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.979 21.322 -0.835 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.202 24.141 0.005 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.993 23.680 -1.490 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.190 22.841 -0.655 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.565 24.136 -1.776 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.153 21.173 -2.198 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.886 22.097 -2.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.728 21.886 -4.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.622 23.511 -3.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.806 22.500 -3.283 1.00 0.00 H new ATOM 503 N GLU A 33 6.411 19.339 -0.026 1.00 0.00 N ATOM 504 CA GLU A 33 5.653 18.276 -0.653 1.00 0.00 C ATOM 505 C GLU A 33 4.661 17.662 0.338 1.00 0.00 C ATOM 506 O GLU A 33 3.543 17.352 -0.054 1.00 0.00 O ATOM 507 CB GLU A 33 6.623 17.242 -1.217 1.00 0.00 C ATOM 508 CG GLU A 33 7.462 17.831 -2.361 1.00 0.00 C ATOM 509 CD GLU A 33 8.648 16.936 -2.682 1.00 0.00 C ATOM 510 OE1 GLU A 33 9.608 16.984 -1.883 1.00 0.00 O ATOM 511 OE2 GLU A 33 8.567 16.201 -3.690 1.00 0.00 O ATOM 0 H GLU A 33 7.409 19.139 0.042 1.00 0.00 H new ATOM 0 HA GLU A 33 5.061 18.676 -1.476 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.282 16.888 -0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.067 16.377 -1.579 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.841 17.950 -3.249 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.816 18.824 -2.084 1.00 0.00 H new ATOM 518 N LEU A 34 5.037 17.499 1.610 1.00 0.00 N ATOM 519 CA LEU A 34 4.112 17.015 2.635 1.00 0.00 C ATOM 520 C LEU A 34 2.924 17.959 2.800 1.00 0.00 C ATOM 521 O LEU A 34 1.772 17.530 2.716 1.00 0.00 O ATOM 522 CB LEU A 34 4.822 16.809 3.984 1.00 0.00 C ATOM 523 CG LEU A 34 5.186 15.347 4.280 1.00 0.00 C ATOM 524 CD1 LEU A 34 3.953 14.436 4.350 1.00 0.00 C ATOM 525 CD2 LEU A 34 6.160 14.803 3.242 1.00 0.00 C ATOM 0 H LEU A 34 5.977 17.696 1.953 1.00 0.00 H new ATOM 0 HA LEU A 34 3.738 16.048 2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.731 17.410 4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.180 17.182 4.782 1.00 0.00 H new ATOM 0 HG LEU A 34 5.661 15.345 5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.267 13.414 4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.289 14.783 5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.426 14.463 3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.400 13.766 3.477 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.704 14.855 2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.073 15.398 3.253 1.00 0.00 H new ATOM 537 N LYS A 35 3.197 19.242 3.058 1.00 0.00 N ATOM 538 CA LYS A 35 2.146 20.237 3.215 1.00 0.00 C ATOM 539 C LYS A 35 1.265 20.258 1.964 1.00 0.00 C ATOM 540 O LYS A 35 0.043 20.185 2.071 1.00 0.00 O ATOM 541 CB LYS A 35 2.750 21.611 3.529 1.00 0.00 C ATOM 542 CG LYS A 35 3.264 21.638 4.979 1.00 0.00 C ATOM 543 CD LYS A 35 3.959 22.955 5.344 1.00 0.00 C ATOM 544 CE LYS A 35 5.314 23.098 4.640 1.00 0.00 C ATOM 545 NZ LYS A 35 6.045 24.283 5.119 1.00 0.00 N ATOM 0 H LYS A 35 4.142 19.611 3.162 1.00 0.00 H new ATOM 0 HA LYS A 35 1.512 19.971 4.061 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.567 21.825 2.840 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.000 22.389 3.385 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.427 21.475 5.658 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.961 20.813 5.127 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.317 23.793 5.071 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.103 23.003 6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.913 22.204 4.814 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.160 23.174 3.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.957 24.352 4.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.483 25.137 4.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.212 24.198 6.142 1.00 0.00 H new ATOM 559 N GLU A 36 1.891 20.316 0.785 1.00 0.00 N ATOM 560 CA GLU A 36 1.217 20.243 -0.503 1.00 0.00 C ATOM 561 C GLU A 36 0.274 19.034 -0.546 1.00 0.00 C ATOM 562 O GLU A 36 -0.927 19.204 -0.737 1.00 0.00 O ATOM 563 CB GLU A 36 2.283 20.205 -1.608 1.00 0.00 C ATOM 564 CG GLU A 36 1.703 20.242 -3.026 1.00 0.00 C ATOM 565 CD GLU A 36 2.791 20.202 -4.098 1.00 0.00 C ATOM 566 OE1 GLU A 36 3.858 19.608 -3.826 1.00 0.00 O ATOM 567 OE2 GLU A 36 2.535 20.770 -5.181 1.00 0.00 O ATOM 0 H GLU A 36 2.903 20.417 0.704 1.00 0.00 H new ATOM 0 HA GLU A 36 0.592 21.122 -0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.958 21.051 -1.479 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.881 19.301 -1.493 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.030 19.396 -3.163 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.107 21.147 -3.149 1.00 0.00 H new ATOM 574 N LEU A 37 0.815 17.826 -0.355 1.00 0.00 N ATOM 575 CA LEU A 37 0.070 16.573 -0.318 1.00 0.00 C ATOM 576 C LEU A 37 -1.156 16.710 0.576 1.00 0.00 C ATOM 577 O LEU A 37 -2.287 16.603 0.099 1.00 0.00 O ATOM 578 CB LEU A 37 0.957 15.426 0.208 1.00 0.00 C ATOM 579 CG LEU A 37 1.586 14.578 -0.903 1.00 0.00 C ATOM 580 CD1 LEU A 37 2.794 13.815 -0.352 1.00 0.00 C ATOM 581 CD2 LEU A 37 0.558 13.564 -1.421 1.00 0.00 C ATOM 0 H LEU A 37 1.817 17.694 -0.218 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.247 16.341 -1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.750 15.846 0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.359 14.781 0.851 1.00 0.00 H new ATOM 0 HG LEU A 37 1.902 15.235 -1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.237 13.214 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.533 14.524 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.473 13.163 0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.007 12.962 -2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.244 12.915 -0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.308 14.094 -1.817 1.00 0.00 H new ATOM 593 N ILE A 38 -0.935 16.903 1.879 1.00 0.00 N ATOM 594 CA ILE A 38 -2.039 16.836 2.822 1.00 0.00 C ATOM 595 C ILE A 38 -3.057 17.934 2.506 1.00 0.00 C ATOM 596 O ILE A 38 -4.247 17.646 2.428 1.00 0.00 O ATOM 597 CB ILE A 38 -1.548 16.794 4.283 1.00 0.00 C ATOM 598 CG1 ILE A 38 -2.693 16.328 5.199 1.00 0.00 C ATOM 599 CG2 ILE A 38 -0.980 18.134 4.758 1.00 0.00 C ATOM 600 CD1 ILE A 38 -2.244 16.006 6.627 1.00 0.00 C ATOM 0 H ILE A 38 -0.023 17.102 2.291 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.569 15.891 2.704 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.725 16.081 4.333 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.458 17.104 5.234 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.157 15.442 4.765 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.651 18.043 5.793 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.133 18.413 4.131 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.751 18.901 4.689 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.104 15.684 7.215 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.501 15.208 6.604 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.807 16.896 7.080 1.00 0.00 H new ATOM 612 N GLN A 39 -2.595 19.164 2.264 1.00 0.00 N ATOM 613 CA GLN A 39 -3.467 20.290 1.968 1.00 0.00 C ATOM 614 C GLN A 39 -4.324 20.022 0.729 1.00 0.00 C ATOM 615 O GLN A 39 -5.536 20.215 0.781 1.00 0.00 O ATOM 616 CB GLN A 39 -2.629 21.566 1.823 1.00 0.00 C ATOM 617 CG GLN A 39 -3.489 22.813 1.574 1.00 0.00 C ATOM 618 CD GLN A 39 -2.620 24.029 1.280 1.00 0.00 C ATOM 619 OE1 GLN A 39 -2.615 24.539 0.164 1.00 0.00 O ATOM 620 NE2 GLN A 39 -1.869 24.502 2.270 1.00 0.00 N ATOM 0 H GLN A 39 -1.603 19.401 2.269 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.160 20.429 2.797 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.037 21.712 2.727 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -1.927 21.443 0.998 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.163 22.633 0.736 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.111 23.010 2.447 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.895 24.057 3.187 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.267 25.310 2.112 1.00 0.00 H new ATOM 629 N LYS A 40 -3.714 19.624 -0.394 1.00 0.00 N ATOM 630 CA LYS A 40 -4.464 19.403 -1.625 1.00 0.00 C ATOM 631 C LYS A 40 -5.404 18.215 -1.433 1.00 0.00 C ATOM 632 O LYS A 40 -6.609 18.326 -1.644 1.00 0.00 O ATOM 633 CB LYS A 40 -3.538 19.144 -2.832 1.00 0.00 C ATOM 634 CG LYS A 40 -3.229 20.365 -3.716 1.00 0.00 C ATOM 635 CD LYS A 40 -1.953 21.141 -3.354 1.00 0.00 C ATOM 636 CE LYS A 40 -2.061 22.054 -2.129 1.00 0.00 C ATOM 637 NZ LYS A 40 -3.146 23.042 -2.250 1.00 0.00 N ATOM 0 H LYS A 40 -2.712 19.451 -0.471 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.032 20.308 -1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.596 18.740 -2.462 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.993 18.374 -3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.148 20.031 -4.750 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.075 21.050 -3.667 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.150 20.425 -3.182 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.661 21.747 -4.212 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.227 21.445 -1.241 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.115 22.576 -1.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.060 23.747 -1.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.081 23.517 -3.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.064 22.560 -2.172 1.00 0.00 H new ATOM 651 N GLU A 41 -4.836 17.058 -1.087 1.00 0.00 N ATOM 652 CA GLU A 41 -5.582 15.814 -1.086 1.00 0.00 C ATOM 653 C GLU A 41 -6.567 15.807 0.083 1.00 0.00 C ATOM 654 O GLU A 41 -7.782 15.754 -0.111 1.00 0.00 O ATOM 655 CB GLU A 41 -4.611 14.625 -1.038 1.00 0.00 C ATOM 656 CG GLU A 41 -3.569 14.636 -2.170 1.00 0.00 C ATOM 657 CD GLU A 41 -4.179 14.681 -3.568 1.00 0.00 C ATOM 658 OE1 GLU A 41 -5.184 13.970 -3.782 1.00 0.00 O ATOM 659 OE2 GLU A 41 -3.612 15.420 -4.404 1.00 0.00 O ATOM 0 H GLU A 41 -3.860 16.965 -0.805 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.162 15.723 -2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.093 14.628 -0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.182 13.698 -1.090 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.915 15.499 -2.041 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.944 13.747 -2.085 1.00 0.00 H new ATOM 666 N LEU A 42 -6.057 15.881 1.312 1.00 0.00 N ATOM 667 CA LEU A 42 -6.890 15.916 2.500 1.00 0.00 C ATOM 668 C LEU A 42 -7.229 17.373 2.804 1.00 0.00 C ATOM 669 O LEU A 42 -6.904 17.895 3.869 1.00 0.00 O ATOM 670 CB LEU A 42 -6.198 15.198 3.667 1.00 0.00 C ATOM 671 CG LEU A 42 -5.882 13.722 3.363 1.00 0.00 C ATOM 672 CD1 LEU A 42 -5.338 13.040 4.617 1.00 0.00 C ATOM 673 CD2 LEU A 42 -7.131 12.953 2.924 1.00 0.00 C ATOM 0 H LEU A 42 -5.056 15.918 1.505 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.824 15.378 2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.272 15.720 3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.835 15.253 4.549 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.149 13.711 2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.116 11.996 4.396 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.427 13.544 4.939 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.082 13.093 5.412 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.866 11.916 2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.877 12.987 3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.540 13.408 2.022 1.00 0.00 H new ATOM 794 N ASP A 50 -7.901 16.897 15.635 1.00 0.00 N ATOM 795 CA ASP A 50 -6.540 17.346 15.917 1.00 0.00 C ATOM 796 C ASP A 50 -5.567 16.770 14.893 1.00 0.00 C ATOM 797 O ASP A 50 -4.644 17.459 14.472 1.00 0.00 O ATOM 798 CB ASP A 50 -6.073 16.912 17.316 1.00 0.00 C ATOM 799 CG ASP A 50 -6.703 17.705 18.457 1.00 0.00 C ATOM 800 OD1 ASP A 50 -6.328 18.889 18.597 1.00 0.00 O ATOM 801 OD2 ASP A 50 -7.519 17.100 19.187 1.00 0.00 O ATOM 0 HA ASP A 50 -6.551 18.435 15.866 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.303 15.855 17.452 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.989 17.013 17.373 1.00 0.00 H new ATOM 806 N ALA A 51 -5.751 15.504 14.510 1.00 0.00 N ATOM 807 CA ALA A 51 -4.823 14.746 13.678 1.00 0.00 C ATOM 808 C ALA A 51 -4.174 15.580 12.569 1.00 0.00 C ATOM 809 O ALA A 51 -2.953 15.672 12.497 1.00 0.00 O ATOM 810 CB ALA A 51 -5.557 13.552 13.074 1.00 0.00 C ATOM 0 H ALA A 51 -6.574 14.966 14.780 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.009 14.415 14.323 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.870 12.980 12.450 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.937 12.916 13.874 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.389 13.906 12.466 1.00 0.00 H new ATOM 816 N GLU A 52 -4.990 16.176 11.694 1.00 0.00 N ATOM 817 CA GLU A 52 -4.501 16.910 10.533 1.00 0.00 C ATOM 818 C GLU A 52 -3.693 18.137 10.955 1.00 0.00 C ATOM 819 O GLU A 52 -2.672 18.459 10.350 1.00 0.00 O ATOM 820 CB GLU A 52 -5.688 17.264 9.621 1.00 0.00 C ATOM 821 CG GLU A 52 -5.241 17.920 8.306 1.00 0.00 C ATOM 822 CD GLU A 52 -6.379 17.976 7.290 1.00 0.00 C ATOM 823 OE1 GLU A 52 -6.807 16.880 6.867 1.00 0.00 O ATOM 824 OE2 GLU A 52 -6.807 19.106 6.972 1.00 0.00 O ATOM 0 H GLU A 52 -6.007 16.161 11.775 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.815 16.282 9.964 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.254 16.359 9.399 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.361 17.939 10.150 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.881 18.929 8.506 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.405 17.361 7.886 1.00 0.00 H new ATOM 831 N ILE A 53 -4.147 18.803 12.016 1.00 0.00 N ATOM 832 CA ILE A 53 -3.502 19.977 12.567 1.00 0.00 C ATOM 833 C ILE A 53 -2.111 19.530 13.028 1.00 0.00 C ATOM 834 O ILE A 53 -1.090 20.078 12.615 1.00 0.00 O ATOM 835 CB ILE A 53 -4.335 20.553 13.735 1.00 0.00 C ATOM 836 CG1 ILE A 53 -5.820 20.865 13.436 1.00 0.00 C ATOM 837 CG2 ILE A 53 -3.678 21.852 14.227 1.00 0.00 C ATOM 838 CD1 ILE A 53 -6.714 19.711 12.960 1.00 0.00 C ATOM 0 H ILE A 53 -4.990 18.530 12.521 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.419 20.774 11.828 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.342 19.756 14.478 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.263 21.280 14.341 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.851 21.647 12.678 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.260 22.265 15.051 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.665 21.641 14.568 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.643 22.574 13.411 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.726 20.080 12.791 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.317 19.302 12.031 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.735 18.930 13.720 1.00 0.00 H new ATOM 850 N VAL A 54 -2.085 18.491 13.864 1.00 0.00 N ATOM 851 CA VAL A 54 -0.871 17.917 14.413 1.00 0.00 C ATOM 852 C VAL A 54 0.066 17.470 13.292 1.00 0.00 C ATOM 853 O VAL A 54 1.259 17.712 13.390 1.00 0.00 O ATOM 854 CB VAL A 54 -1.222 16.793 15.404 1.00 0.00 C ATOM 855 CG1 VAL A 54 0.032 16.074 15.921 1.00 0.00 C ATOM 856 CG2 VAL A 54 -1.965 17.387 16.608 1.00 0.00 C ATOM 0 H VAL A 54 -2.932 18.019 14.181 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.326 18.674 14.978 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.845 16.072 14.874 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.260 15.288 16.618 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.571 15.633 15.082 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.677 16.789 16.431 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.214 16.592 17.310 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.329 18.121 17.102 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.881 17.871 16.268 1.00 0.00 H new ATOM 866 N LYS A 55 -0.439 16.844 12.227 1.00 0.00 N ATOM 867 CA LYS A 55 0.376 16.480 11.071 1.00 0.00 C ATOM 868 C LYS A 55 1.001 17.721 10.432 1.00 0.00 C ATOM 869 O LYS A 55 2.214 17.757 10.210 1.00 0.00 O ATOM 870 CB LYS A 55 -0.449 15.659 10.067 1.00 0.00 C ATOM 871 CG LYS A 55 -0.036 14.182 10.007 1.00 0.00 C ATOM 872 CD LYS A 55 -0.316 13.347 11.267 1.00 0.00 C ATOM 873 CE LYS A 55 0.718 13.558 12.383 1.00 0.00 C ATOM 874 NZ LYS A 55 0.690 12.460 13.360 1.00 0.00 N ATOM 0 H LYS A 55 -1.420 16.577 12.144 1.00 0.00 H new ATOM 0 HA LYS A 55 1.199 15.849 11.406 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.504 15.724 10.335 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.344 16.099 9.075 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.550 13.716 9.166 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.032 14.133 9.794 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.306 13.598 11.647 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.337 12.291 10.997 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.714 13.633 11.947 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.520 14.502 12.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.752 12.850 14.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.198 11.928 13.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.496 11.825 13.191 1.00 0.00 H new ATOM 888 N LEU A 56 0.189 18.742 10.149 1.00 0.00 N ATOM 889 CA LEU A 56 0.691 19.992 9.596 1.00 0.00 C ATOM 890 C LEU A 56 1.806 20.565 10.478 1.00 0.00 C ATOM 891 O LEU A 56 2.836 20.983 9.953 1.00 0.00 O ATOM 892 CB LEU A 56 -0.452 20.999 9.394 1.00 0.00 C ATOM 893 CG LEU A 56 -1.366 20.645 8.207 1.00 0.00 C ATOM 894 CD1 LEU A 56 -2.695 21.396 8.340 1.00 0.00 C ATOM 895 CD2 LEU A 56 -0.710 21.025 6.872 1.00 0.00 C ATOM 0 H LEU A 56 -0.820 18.723 10.296 1.00 0.00 H new ATOM 0 HA LEU A 56 1.121 19.789 8.615 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.050 21.048 10.304 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.030 21.992 9.237 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.537 19.569 8.220 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.341 21.144 7.499 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.183 21.109 9.271 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.507 22.470 8.345 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.378 20.764 6.051 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.516 22.097 6.854 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.230 20.484 6.761 1.00 0.00 H new ATOM 907 N MET A 57 1.624 20.583 11.806 1.00 0.00 N ATOM 908 CA MET A 57 2.669 21.076 12.700 1.00 0.00 C ATOM 909 C MET A 57 3.894 20.153 12.615 1.00 0.00 C ATOM 910 O MET A 57 4.988 20.573 12.243 1.00 0.00 O ATOM 911 CB MET A 57 2.179 21.178 14.154 1.00 0.00 C ATOM 912 CG MET A 57 0.940 22.045 14.433 1.00 0.00 C ATOM 913 SD MET A 57 0.813 23.701 13.704 1.00 0.00 S ATOM 914 CE MET A 57 -0.101 23.363 12.180 1.00 0.00 C ATOM 0 H MET A 57 0.775 20.266 12.275 1.00 0.00 H new ATOM 0 HA MET A 57 2.942 22.081 12.379 1.00 0.00 H new ATOM 0 HB2 MET A 57 1.969 20.169 14.508 1.00 0.00 H new ATOM 0 HB3 MET A 57 3.000 21.563 14.758 1.00 0.00 H new ATOM 0 HG2 MET A 57 0.067 21.479 14.107 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.860 22.159 15.514 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.585 24.277 11.836 1.00 0.00 H new ATOM 0 HE2 MET A 57 0.588 23.006 11.414 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.857 22.602 12.371 1.00 0.00 H new ATOM 924 N ASP A 58 3.696 18.880 12.965 1.00 0.00 N ATOM 925 CA ASP A 58 4.694 17.820 13.003 1.00 0.00 C ATOM 926 C ASP A 58 5.604 17.866 11.784 1.00 0.00 C ATOM 927 O ASP A 58 6.816 17.713 11.924 1.00 0.00 O ATOM 928 CB ASP A 58 3.996 16.456 13.093 1.00 0.00 C ATOM 929 CG ASP A 58 4.971 15.289 12.975 1.00 0.00 C ATOM 930 OD1 ASP A 58 5.961 15.288 13.736 1.00 0.00 O ATOM 931 OD2 ASP A 58 4.699 14.407 12.131 1.00 0.00 O ATOM 0 H ASP A 58 2.774 18.546 13.246 1.00 0.00 H new ATOM 0 HA ASP A 58 5.316 17.970 13.885 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.465 16.386 14.042 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.249 16.382 12.303 1.00 0.00 H new ATOM 936 N ASP A 59 5.034 18.084 10.596 1.00 0.00 N ATOM 937 CA ASP A 59 5.816 18.185 9.375 1.00 0.00 C ATOM 938 C ASP A 59 7.051 19.074 9.529 1.00 0.00 C ATOM 939 O ASP A 59 8.120 18.673 9.083 1.00 0.00 O ATOM 940 CB ASP A 59 4.971 18.678 8.203 1.00 0.00 C ATOM 941 CG ASP A 59 5.838 18.752 6.951 1.00 0.00 C ATOM 942 OD1 ASP A 59 6.426 17.703 6.602 1.00 0.00 O ATOM 943 OD2 ASP A 59 5.929 19.864 6.388 1.00 0.00 O ATOM 0 H ASP A 59 4.029 18.193 10.460 1.00 0.00 H new ATOM 0 HA ASP A 59 6.161 17.172 9.165 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.130 18.004 8.037 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.554 19.659 8.428 1.00 0.00 H new ATOM 948 N LEU A 60 6.946 20.258 10.145 1.00 0.00 N ATOM 949 CA LEU A 60 8.116 21.133 10.227 1.00 0.00 C ATOM 950 C LEU A 60 9.183 20.626 11.207 1.00 0.00 C ATOM 951 O LEU A 60 10.298 21.135 11.194 1.00 0.00 O ATOM 952 CB LEU A 60 7.760 22.623 10.390 1.00 0.00 C ATOM 953 CG LEU A 60 6.855 23.040 11.560 1.00 0.00 C ATOM 954 CD1 LEU A 60 7.381 22.590 12.928 1.00 0.00 C ATOM 955 CD2 LEU A 60 6.727 24.568 11.561 1.00 0.00 C ATOM 0 H LEU A 60 6.096 20.620 10.578 1.00 0.00 H new ATOM 0 HA LEU A 60 8.593 21.078 9.248 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.694 23.178 10.480 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.281 22.952 9.468 1.00 0.00 H new ATOM 0 HG LEU A 60 5.893 22.550 11.411 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.694 22.918 13.708 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.460 21.503 12.948 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.363 23.029 13.102 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.087 24.879 12.387 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.714 25.016 11.678 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.289 24.897 10.619 1.00 0.00 H new ATOM 967 N ASP A 61 8.876 19.622 12.038 1.00 0.00 N ATOM 968 CA ASP A 61 9.865 18.922 12.852 1.00 0.00 C ATOM 969 C ASP A 61 10.402 17.722 12.070 1.00 0.00 C ATOM 970 O ASP A 61 11.609 17.562 11.883 1.00 0.00 O ATOM 971 CB ASP A 61 9.241 18.478 14.181 1.00 0.00 C ATOM 972 CG ASP A 61 10.229 17.644 14.990 1.00 0.00 C ATOM 973 OD1 ASP A 61 11.092 18.264 15.648 1.00 0.00 O ATOM 974 OD2 ASP A 61 10.116 16.401 14.920 1.00 0.00 O ATOM 0 H ASP A 61 7.925 19.274 12.162 1.00 0.00 H new ATOM 0 HA ASP A 61 10.693 19.593 13.081 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.939 19.353 14.757 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.339 17.897 13.989 1.00 0.00 H new ATOM 979 N ARG A 62 9.485 16.875 11.602 1.00 0.00 N ATOM 980 CA ARG A 62 9.798 15.684 10.829 1.00 0.00 C ATOM 981 C ARG A 62 10.640 16.042 9.600 1.00 0.00 C ATOM 982 O ARG A 62 11.488 15.254 9.181 1.00 0.00 O ATOM 983 CB ARG A 62 8.485 14.986 10.441 1.00 0.00 C ATOM 984 CG ARG A 62 8.712 13.617 9.787 1.00 0.00 C ATOM 985 CD ARG A 62 7.384 12.988 9.352 1.00 0.00 C ATOM 986 NE ARG A 62 6.479 12.795 10.491 1.00 0.00 N ATOM 987 CZ ARG A 62 6.332 11.676 11.216 1.00 0.00 C ATOM 988 NH1 ARG A 62 7.050 10.573 10.969 1.00 0.00 N ATOM 989 NH2 ARG A 62 5.444 11.689 12.213 1.00 0.00 N ATOM 0 H ARG A 62 8.485 17.005 11.756 1.00 0.00 H new ATOM 0 HA ARG A 62 10.395 14.997 11.429 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.868 14.861 11.331 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.928 15.624 9.755 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.366 13.727 8.922 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.219 12.955 10.488 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.904 13.626 8.610 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.575 12.028 8.872 1.00 0.00 H new ATOM 0 HE ARG A 62 5.903 13.593 10.759 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.733 10.568 10.211 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.914 9.738 11.539 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.903 12.533 12.403 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.307 10.855 12.785 1.00 0.00 H new ATOM 1068 N GLU A 67 14.217 15.067 4.264 1.00 0.00 N ATOM 1069 CA GLU A 67 13.355 14.428 3.292 1.00 0.00 C ATOM 1070 C GLU A 67 12.864 13.135 3.941 1.00 0.00 C ATOM 1071 O GLU A 67 13.674 12.390 4.492 1.00 0.00 O ATOM 1072 CB GLU A 67 14.131 14.119 2.001 1.00 0.00 C ATOM 1073 CG GLU A 67 14.809 15.338 1.352 1.00 0.00 C ATOM 1074 CD GLU A 67 16.024 15.845 2.126 1.00 0.00 C ATOM 1075 OE1 GLU A 67 16.933 15.021 2.362 1.00 0.00 O ATOM 1076 OE2 GLU A 67 16.013 17.045 2.479 1.00 0.00 O ATOM 0 HA GLU A 67 12.522 15.076 3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.893 13.371 2.221 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.446 13.674 1.279 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.117 15.076 0.340 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.081 16.145 1.265 1.00 0.00 H new ATOM 1083 N VAL A 68 11.563 12.866 3.876 1.00 0.00 N ATOM 1084 CA VAL A 68 10.964 11.611 4.302 1.00 0.00 C ATOM 1085 C VAL A 68 10.783 10.722 3.077 1.00 0.00 C ATOM 1086 O VAL A 68 10.621 11.225 1.965 1.00 0.00 O ATOM 1087 CB VAL A 68 9.621 11.854 5.011 1.00 0.00 C ATOM 1088 CG1 VAL A 68 9.834 12.191 6.485 1.00 0.00 C ATOM 1089 CG2 VAL A 68 8.757 12.944 4.374 1.00 0.00 C ATOM 0 H VAL A 68 10.881 13.534 3.516 1.00 0.00 H new ATOM 0 HA VAL A 68 11.619 11.117 5.020 1.00 0.00 H new ATOM 0 HB VAL A 68 9.078 10.915 4.904 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.869 12.358 6.963 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.344 11.363 6.977 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.441 13.092 6.568 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.830 13.049 4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.298 13.890 4.386 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.527 12.671 3.344 1.00 0.00 H new ATOM 1099 N ASN A 69 10.823 9.403 3.276 1.00 0.00 N ATOM 1100 CA ASN A 69 10.597 8.437 2.211 1.00 0.00 C ATOM 1101 C ASN A 69 9.132 8.017 2.146 1.00 0.00 C ATOM 1102 O ASN A 69 8.332 8.400 2.999 1.00 0.00 O ATOM 1103 CB ASN A 69 11.519 7.219 2.382 1.00 0.00 C ATOM 1104 CG ASN A 69 10.893 6.128 3.252 1.00 0.00 C ATOM 1105 OD1 ASN A 69 10.432 6.396 4.357 1.00 0.00 O ATOM 1106 ND2 ASN A 69 10.825 4.898 2.752 1.00 0.00 N ATOM 0 H ASN A 69 11.014 8.979 4.184 1.00 0.00 H new ATOM 0 HA ASN A 69 10.840 8.916 1.263 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.756 6.806 1.401 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.460 7.540 2.828 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.382 4.153 3.290 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.216 4.700 1.831 1.00 0.00 H new ATOM 1113 N PHE A 70 8.809 7.176 1.161 1.00 0.00 N ATOM 1114 CA PHE A 70 7.514 6.517 1.034 1.00 0.00 C ATOM 1115 C PHE A 70 6.984 6.026 2.385 1.00 0.00 C ATOM 1116 O PHE A 70 5.942 6.495 2.831 1.00 0.00 O ATOM 1117 CB PHE A 70 7.594 5.382 0.006 1.00 0.00 C ATOM 1118 CG PHE A 70 6.301 4.607 -0.169 1.00 0.00 C ATOM 1119 CD1 PHE A 70 5.201 5.221 -0.796 1.00 0.00 C ATOM 1120 CD2 PHE A 70 6.200 3.273 0.270 1.00 0.00 C ATOM 1121 CE1 PHE A 70 4.014 4.499 -1.007 1.00 0.00 C ATOM 1122 CE2 PHE A 70 5.014 2.550 0.054 1.00 0.00 C ATOM 1123 CZ PHE A 70 3.920 3.162 -0.583 1.00 0.00 C ATOM 0 H PHE A 70 9.458 6.931 0.414 1.00 0.00 H new ATOM 0 HA PHE A 70 6.796 7.253 0.673 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.887 5.800 -0.957 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.381 4.690 0.306 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.269 6.250 -1.116 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.034 2.805 0.773 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.174 4.971 -1.495 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.943 1.522 0.378 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.009 2.606 -0.746 1.00 0.00 H new ATOM 1133 N GLN A 71 7.675 5.103 3.061 1.00 0.00 N ATOM 1134 CA GLN A 71 7.130 4.540 4.294 1.00 0.00 C ATOM 1135 C GLN A 71 6.908 5.620 5.358 1.00 0.00 C ATOM 1136 O GLN A 71 5.917 5.557 6.079 1.00 0.00 O ATOM 1137 CB GLN A 71 7.973 3.375 4.828 1.00 0.00 C ATOM 1138 CG GLN A 71 7.191 2.513 5.841 1.00 0.00 C ATOM 1139 CD GLN A 71 6.110 1.675 5.167 1.00 0.00 C ATOM 1140 OE1 GLN A 71 6.414 0.727 4.449 1.00 0.00 O ATOM 1141 NE2 GLN A 71 4.842 2.006 5.394 1.00 0.00 N ATOM 0 H GLN A 71 8.587 4.740 2.784 1.00 0.00 H new ATOM 0 HA GLN A 71 6.154 4.125 4.045 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.298 2.751 3.995 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.873 3.766 5.303 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.883 1.856 6.367 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.734 3.160 6.590 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.622 2.800 5.996 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.090 1.466 4.966 1.00 0.00 H new ATOM 1150 N GLU A 72 7.788 6.618 5.469 1.00 0.00 N ATOM 1151 CA GLU A 72 7.543 7.747 6.361 1.00 0.00 C ATOM 1152 C GLU A 72 6.279 8.515 5.958 1.00 0.00 C ATOM 1153 O GLU A 72 5.468 8.842 6.822 1.00 0.00 O ATOM 1154 CB GLU A 72 8.762 8.671 6.419 1.00 0.00 C ATOM 1155 CG GLU A 72 9.785 8.216 7.466 1.00 0.00 C ATOM 1156 CD GLU A 72 9.277 8.466 8.886 1.00 0.00 C ATOM 1157 OE1 GLU A 72 9.029 9.652 9.202 1.00 0.00 O ATOM 1158 OE2 GLU A 72 9.118 7.469 9.623 1.00 0.00 O ATOM 0 H GLU A 72 8.668 6.665 4.956 1.00 0.00 H new ATOM 0 HA GLU A 72 7.376 7.350 7.362 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.238 8.704 5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.436 9.685 6.649 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.995 7.155 7.335 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.724 8.748 7.315 1.00 0.00 H new ATOM 1165 N TYR A 73 6.081 8.793 4.668 1.00 0.00 N ATOM 1166 CA TYR A 73 4.835 9.378 4.175 1.00 0.00 C ATOM 1167 C TYR A 73 3.644 8.520 4.629 1.00 0.00 C ATOM 1168 O TYR A 73 2.688 9.021 5.221 1.00 0.00 O ATOM 1169 CB TYR A 73 4.901 9.564 2.645 1.00 0.00 C ATOM 1170 CG TYR A 73 3.618 9.312 1.869 1.00 0.00 C ATOM 1171 CD1 TYR A 73 2.650 10.326 1.744 1.00 0.00 C ATOM 1172 CD2 TYR A 73 3.428 8.089 1.197 1.00 0.00 C ATOM 1173 CE1 TYR A 73 1.523 10.128 0.924 1.00 0.00 C ATOM 1174 CE2 TYR A 73 2.286 7.880 0.406 1.00 0.00 C ATOM 1175 CZ TYR A 73 1.344 8.907 0.249 1.00 0.00 C ATOM 1176 OH TYR A 73 0.270 8.736 -0.573 1.00 0.00 O ATOM 0 H TYR A 73 6.775 8.620 3.941 1.00 0.00 H new ATOM 0 HA TYR A 73 4.693 10.371 4.601 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.227 10.584 2.440 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.671 8.898 2.255 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.772 11.257 2.278 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.166 7.306 1.290 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.793 10.916 0.813 1.00 0.00 H new ATOM 0 HE2 TYR A 73 2.133 6.928 -0.081 1.00 0.00 H new ATOM 0 HH TYR A 73 0.434 7.979 -1.173 1.00 0.00 H new ATOM 1186 N ILE A 74 3.723 7.208 4.401 1.00 0.00 N ATOM 1187 CA ILE A 74 2.707 6.272 4.854 1.00 0.00 C ATOM 1188 C ILE A 74 2.539 6.356 6.378 1.00 0.00 C ATOM 1189 O ILE A 74 1.421 6.251 6.872 1.00 0.00 O ATOM 1190 CB ILE A 74 3.047 4.841 4.407 1.00 0.00 C ATOM 1191 CG1 ILE A 74 3.159 4.651 2.881 1.00 0.00 C ATOM 1192 CG2 ILE A 74 2.012 3.869 4.956 1.00 0.00 C ATOM 1193 CD1 ILE A 74 1.827 4.762 2.133 1.00 0.00 C ATOM 0 H ILE A 74 4.494 6.770 3.897 1.00 0.00 H new ATOM 0 HA ILE A 74 1.756 6.545 4.396 1.00 0.00 H new ATOM 0 HB ILE A 74 4.039 4.639 4.812 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.849 5.396 2.484 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.595 3.673 2.679 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.258 2.856 4.636 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.011 3.915 6.045 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.025 4.138 4.581 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.996 4.616 1.066 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.139 4.000 2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.397 5.749 2.300 1.00 0.00 H new ATOM 1205 N THR A 75 3.623 6.531 7.136 1.00 0.00 N ATOM 1206 CA THR A 75 3.562 6.670 8.586 1.00 0.00 C ATOM 1207 C THR A 75 2.817 7.948 8.963 1.00 0.00 C ATOM 1208 O THR A 75 1.985 7.936 9.864 1.00 0.00 O ATOM 1209 CB THR A 75 4.965 6.598 9.205 1.00 0.00 C ATOM 1210 OG1 THR A 75 5.580 5.387 8.816 1.00 0.00 O ATOM 1211 CG2 THR A 75 4.917 6.629 10.735 1.00 0.00 C ATOM 0 H THR A 75 4.569 6.580 6.757 1.00 0.00 H new ATOM 0 HA THR A 75 2.999 5.834 9.000 1.00 0.00 H new ATOM 0 HB THR A 75 5.524 7.465 8.853 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.840 5.440 7.872 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.931 6.576 11.132 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.446 7.555 11.066 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.340 5.778 11.098 1.00 0.00 H new ATOM 1219 N PHE A 76 3.085 9.048 8.260 1.00 0.00 N ATOM 1220 CA PHE A 76 2.374 10.306 8.437 1.00 0.00 C ATOM 1221 C PHE A 76 0.867 10.065 8.256 1.00 0.00 C ATOM 1222 O PHE A 76 0.067 10.383 9.138 1.00 0.00 O ATOM 1223 CB PHE A 76 2.946 11.330 7.446 1.00 0.00 C ATOM 1224 CG PHE A 76 2.594 12.780 7.702 1.00 0.00 C ATOM 1225 CD1 PHE A 76 3.439 13.564 8.512 1.00 0.00 C ATOM 1226 CD2 PHE A 76 1.598 13.401 6.926 1.00 0.00 C ATOM 1227 CE1 PHE A 76 3.334 14.965 8.493 1.00 0.00 C ATOM 1228 CE2 PHE A 76 1.500 14.802 6.901 1.00 0.00 C ATOM 1229 CZ PHE A 76 2.393 15.584 7.652 1.00 0.00 C ATOM 0 H PHE A 76 3.811 9.087 7.544 1.00 0.00 H new ATOM 0 HA PHE A 76 2.510 10.708 9.441 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.032 11.236 7.446 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.603 11.066 6.445 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.169 13.087 9.149 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.909 12.801 6.350 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.974 15.565 9.123 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.737 15.279 6.303 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.357 16.661 7.583 1.00 0.00 H new ATOM 1239 N LEU A 77 0.487 9.446 7.132 1.00 0.00 N ATOM 1240 CA LEU A 77 -0.907 9.104 6.861 1.00 0.00 C ATOM 1241 C LEU A 77 -1.485 8.150 7.911 1.00 0.00 C ATOM 1242 O LEU A 77 -2.612 8.329 8.358 1.00 0.00 O ATOM 1243 CB LEU A 77 -1.063 8.485 5.466 1.00 0.00 C ATOM 1244 CG LEU A 77 -0.694 9.404 4.290 1.00 0.00 C ATOM 1245 CD1 LEU A 77 -1.036 8.663 2.994 1.00 0.00 C ATOM 1246 CD2 LEU A 77 -1.438 10.745 4.323 1.00 0.00 C ATOM 0 H LEU A 77 1.134 9.172 6.393 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.467 10.038 6.906 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.443 7.590 5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.098 8.164 5.343 1.00 0.00 H new ATOM 0 HG LEU A 77 0.369 9.636 4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.785 9.291 2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.465 7.736 2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.102 8.434 2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.136 11.350 3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.512 10.566 4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.195 11.273 5.245 1.00 0.00 H new ATOM 1258 N GLY A 78 -0.746 7.111 8.293 1.00 0.00 N ATOM 1259 CA GLY A 78 -1.212 6.103 9.231 1.00 0.00 C ATOM 1260 C GLY A 78 -1.437 6.715 10.609 1.00 0.00 C ATOM 1261 O GLY A 78 -2.462 6.473 11.243 1.00 0.00 O ATOM 0 H GLY A 78 0.202 6.947 7.954 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.140 5.662 8.867 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.481 5.297 9.300 1.00 0.00 H new ATOM 1265 N ALA A 79 -0.498 7.541 11.065 1.00 0.00 N ATOM 1266 CA ALA A 79 -0.625 8.282 12.304 1.00 0.00 C ATOM 1267 C ALA A 79 -1.850 9.195 12.239 1.00 0.00 C ATOM 1268 O ALA A 79 -2.699 9.136 13.123 1.00 0.00 O ATOM 1269 CB ALA A 79 0.663 9.063 12.572 1.00 0.00 C ATOM 0 H ALA A 79 0.380 7.712 10.574 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.773 7.595 13.137 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.564 9.619 13.504 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.500 8.369 12.650 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.844 9.758 11.752 1.00 0.00 H new ATOM 1275 N LEU A 80 -1.966 10.015 11.186 1.00 0.00 N ATOM 1276 CA LEU A 80 -3.138 10.860 10.959 1.00 0.00 C ATOM 1277 C LEU A 80 -4.426 10.043 11.125 1.00 0.00 C ATOM 1278 O LEU A 80 -5.300 10.355 11.945 1.00 0.00 O ATOM 1279 CB LEU A 80 -3.053 11.445 9.538 1.00 0.00 C ATOM 1280 CG LEU A 80 -4.262 12.302 9.149 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -4.085 13.710 9.697 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -4.388 12.389 7.629 1.00 0.00 C ATOM 0 H LEU A 80 -1.247 10.109 10.469 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.157 11.669 11.690 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.150 12.050 9.458 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.954 10.628 8.824 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.158 11.841 9.564 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.945 14.319 9.420 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.003 13.670 10.783 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.179 14.151 9.281 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.252 13.001 7.370 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.486 12.840 7.214 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.516 11.388 7.217 1.00 0.00 H new ATOM 1294 N ALA A 81 -4.511 8.990 10.309 1.00 0.00 N ATOM 1295 CA ALA A 81 -5.618 8.066 10.248 1.00 0.00 C ATOM 1296 C ALA A 81 -5.968 7.586 11.648 1.00 0.00 C ATOM 1297 O ALA A 81 -7.112 7.731 12.064 1.00 0.00 O ATOM 1298 CB ALA A 81 -5.248 6.895 9.336 1.00 0.00 C ATOM 0 H ALA A 81 -3.770 8.758 9.647 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.496 8.563 9.835 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.082 6.194 9.287 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.028 7.268 8.336 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.370 6.387 9.734 1.00 0.00 H new ATOM 1304 N MET A 82 -4.992 7.031 12.366 1.00 0.00 N ATOM 1305 CA MET A 82 -5.186 6.505 13.704 1.00 0.00 C ATOM 1306 C MET A 82 -5.656 7.591 14.670 1.00 0.00 C ATOM 1307 O MET A 82 -6.563 7.344 15.460 1.00 0.00 O ATOM 1308 CB MET A 82 -3.900 5.815 14.169 1.00 0.00 C ATOM 1309 CG MET A 82 -4.032 5.245 15.586 1.00 0.00 C ATOM 1310 SD MET A 82 -3.109 3.723 15.906 1.00 0.00 S ATOM 1311 CE MET A 82 -1.427 4.253 15.519 1.00 0.00 C ATOM 0 H MET A 82 -4.035 6.936 12.025 1.00 0.00 H new ATOM 0 HA MET A 82 -5.982 5.760 13.688 1.00 0.00 H new ATOM 0 HB2 MET A 82 -3.650 5.011 13.477 1.00 0.00 H new ATOM 0 HB3 MET A 82 -3.076 6.528 14.141 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.703 6.004 16.296 1.00 0.00 H new ATOM 0 HG3 MET A 82 -5.087 5.058 15.786 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.731 3.443 15.737 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.362 4.514 14.463 1.00 0.00 H new ATOM 0 HE3 MET A 82 -1.171 5.123 16.124 1.00 0.00 H new ATOM 1321 N ILE A 83 -5.052 8.783 14.631 1.00 0.00 N ATOM 1322 CA ILE A 83 -5.427 9.851 15.548 1.00 0.00 C ATOM 1323 C ILE A 83 -6.907 10.195 15.375 1.00 0.00 C ATOM 1324 O ILE A 83 -7.629 10.179 16.371 1.00 0.00 O ATOM 1325 CB ILE A 83 -4.515 11.084 15.421 1.00 0.00 C ATOM 1326 CG1 ILE A 83 -3.066 10.761 15.822 1.00 0.00 C ATOM 1327 CG2 ILE A 83 -5.021 12.217 16.334 1.00 0.00 C ATOM 1328 CD1 ILE A 83 -2.089 11.756 15.187 1.00 0.00 C ATOM 0 H ILE A 83 -4.308 9.026 13.978 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.282 9.489 16.566 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.539 11.392 14.376 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.969 10.792 16.907 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.815 9.748 15.508 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.367 13.084 16.235 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.035 12.492 16.044 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.019 11.878 17.370 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.071 11.507 15.485 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.172 11.705 14.101 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.329 12.765 15.522 1.00 0.00 H new ATOM 1340 N TYR A 84 -7.374 10.519 14.156 1.00 0.00 N ATOM 1341 CA TYR A 84 -8.795 10.864 14.027 1.00 0.00 C ATOM 1342 C TYR A 84 -9.718 9.634 14.074 1.00 0.00 C ATOM 1343 O TYR A 84 -10.801 9.705 14.656 1.00 0.00 O ATOM 1344 CB TYR A 84 -9.112 11.935 12.962 1.00 0.00 C ATOM 1345 CG TYR A 84 -8.628 11.796 11.527 1.00 0.00 C ATOM 1346 CD1 TYR A 84 -8.910 10.642 10.774 1.00 0.00 C ATOM 1347 CD2 TYR A 84 -8.229 12.966 10.852 1.00 0.00 C ATOM 1348 CE1 TYR A 84 -8.727 10.643 9.377 1.00 0.00 C ATOM 1349 CE2 TYR A 84 -8.004 12.961 9.467 1.00 0.00 C ATOM 1350 CZ TYR A 84 -8.274 11.801 8.723 1.00 0.00 C ATOM 1351 OH TYR A 84 -8.189 11.843 7.362 1.00 0.00 O ATOM 0 H TYR A 84 -6.826 10.549 13.296 1.00 0.00 H new ATOM 0 HA TYR A 84 -9.054 11.406 14.937 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.197 12.031 12.922 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -8.722 12.881 13.338 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.268 9.751 11.269 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.094 13.881 11.409 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -8.936 9.750 8.807 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.625 13.845 8.976 1.00 0.00 H new ATOM 0 HH TYR A 84 -8.906 11.300 6.973 1.00 0.00 H new ATOM 1361 N ASN A 85 -9.301 8.477 13.548 1.00 0.00 N ATOM 1362 CA ASN A 85 -10.043 7.228 13.733 1.00 0.00 C ATOM 1363 C ASN A 85 -9.711 6.660 15.108 1.00 0.00 C ATOM 1364 O ASN A 85 -9.058 5.621 15.220 1.00 0.00 O ATOM 1365 CB ASN A 85 -9.759 6.180 12.645 1.00 0.00 C ATOM 1366 CG ASN A 85 -10.254 6.604 11.270 1.00 0.00 C ATOM 1367 OD1 ASN A 85 -11.377 6.302 10.882 1.00 0.00 O ATOM 1368 ND2 ASN A 85 -9.409 7.286 10.510 1.00 0.00 N ATOM 0 H ASN A 85 -8.452 8.381 12.990 1.00 0.00 H new ATOM 0 HA ASN A 85 -11.104 7.463 13.654 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.686 5.994 12.598 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -10.233 5.239 12.922 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.686 7.576 9.572 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.481 7.521 10.863 1.00 0.00 H new ATOM 1375 N GLU A 86 -10.214 7.327 16.151 1.00 0.00 N ATOM 1376 CA GLU A 86 -9.983 6.974 17.550 1.00 0.00 C ATOM 1377 C GLU A 86 -10.169 5.480 17.823 1.00 0.00 C ATOM 1378 O GLU A 86 -9.488 4.918 18.676 1.00 0.00 O ATOM 1379 CB GLU A 86 -10.882 7.803 18.472 1.00 0.00 C ATOM 1380 CG GLU A 86 -10.716 9.301 18.203 1.00 0.00 C ATOM 1381 CD GLU A 86 -11.252 10.141 19.355 1.00 0.00 C ATOM 1382 OE1 GLU A 86 -12.493 10.212 19.478 1.00 0.00 O ATOM 1383 OE2 GLU A 86 -10.407 10.680 20.105 1.00 0.00 O ATOM 0 H GLU A 86 -10.808 8.148 16.040 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.940 7.207 17.763 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.923 7.517 18.323 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -10.638 7.588 19.512 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.662 9.528 18.046 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.239 9.566 17.284 1.00 0.00 H new ATOM 1390 N ALA A 87 -11.070 4.836 17.077 1.00 0.00 N ATOM 1391 CA ALA A 87 -11.290 3.399 17.089 1.00 0.00 C ATOM 1392 C ALA A 87 -9.993 2.575 17.119 1.00 0.00 C ATOM 1393 O ALA A 87 -9.946 1.525 17.759 1.00 0.00 O ATOM 1394 CB ALA A 87 -12.121 3.024 15.857 1.00 0.00 C ATOM 0 H ALA A 87 -11.686 5.324 16.427 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.817 3.157 18.012 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.296 1.948 15.850 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -13.077 3.547 15.890 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.582 3.310 14.954 1.00 0.00 H new ATOM 1400 N LEU A 88 -8.952 3.021 16.407 1.00 0.00 N ATOM 1401 CA LEU A 88 -7.681 2.310 16.308 1.00 0.00 C ATOM 1402 C LEU A 88 -6.766 2.550 17.515 1.00 0.00 C ATOM 1403 O LEU A 88 -5.772 1.844 17.671 1.00 0.00 O ATOM 1404 CB LEU A 88 -6.956 2.734 15.022 1.00 0.00 C ATOM 1405 CG LEU A 88 -7.640 2.259 13.731 1.00 0.00 C ATOM 1406 CD1 LEU A 88 -6.971 2.960 12.545 1.00 0.00 C ATOM 1407 CD2 LEU A 88 -7.510 0.742 13.538 1.00 0.00 C ATOM 0 H LEU A 88 -8.973 3.894 15.880 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.910 1.245 16.288 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.881 3.821 15.002 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.938 2.344 15.046 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.701 2.502 13.797 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.443 2.636 11.617 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.082 4.039 12.651 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.912 2.705 12.522 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -8.007 0.449 12.613 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.456 0.471 13.484 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.975 0.227 14.379 1.00 0.00 H new ATOM 1469 N ALA B 2 -14.309 13.027 2.358 1.00 0.00 N ATOM 1470 CA ALA B 2 -13.623 11.761 2.156 1.00 0.00 C ATOM 1471 C ALA B 2 -12.893 11.777 0.812 1.00 0.00 C ATOM 1472 O ALA B 2 -13.265 11.060 -0.113 1.00 0.00 O ATOM 1473 CB ALA B 2 -14.604 10.592 2.271 1.00 0.00 C ATOM 0 HA ALA B 2 -12.876 11.623 2.937 1.00 0.00 H new ATOM 0 HB1 ALA B 2 -14.071 9.654 2.117 1.00 0.00 H new ATOM 0 HB2 ALA B 2 -15.057 10.593 3.262 1.00 0.00 H new ATOM 0 HB3 ALA B 2 -15.383 10.695 1.516 1.00 0.00 H new ATOM 1479 N SER B 3 -11.851 12.605 0.701 1.00 0.00 N ATOM 1480 CA SER B 3 -10.995 12.660 -0.476 1.00 0.00 C ATOM 1481 C SER B 3 -10.440 11.266 -0.815 1.00 0.00 C ATOM 1482 O SER B 3 -10.382 10.415 0.075 1.00 0.00 O ATOM 1483 CB SER B 3 -9.840 13.618 -0.184 1.00 0.00 C ATOM 1484 OG SER B 3 -10.311 14.832 0.360 1.00 0.00 O ATOM 0 H SER B 3 -11.580 13.260 1.435 1.00 0.00 H new ATOM 0 HA SER B 3 -11.575 13.008 -1.331 1.00 0.00 H new ATOM 0 HB2 SER B 3 -9.143 13.151 0.512 1.00 0.00 H new ATOM 0 HB3 SER B 3 -9.288 13.818 -1.103 1.00 0.00 H new ATOM 0 HG SER B 3 -9.588 15.494 0.358 1.00 0.00 H new ATOM 1490 N PRO B 4 -9.968 11.029 -2.053 1.00 0.00 N ATOM 1491 CA PRO B 4 -9.368 9.764 -2.464 1.00 0.00 C ATOM 1492 C PRO B 4 -8.421 9.165 -1.420 1.00 0.00 C ATOM 1493 O PRO B 4 -8.568 7.999 -1.058 1.00 0.00 O ATOM 1494 CB PRO B 4 -8.673 10.055 -3.796 1.00 0.00 C ATOM 1495 CG PRO B 4 -9.585 11.121 -4.400 1.00 0.00 C ATOM 1496 CD PRO B 4 -9.998 11.949 -3.182 1.00 0.00 C ATOM 0 HA PRO B 4 -10.132 8.994 -2.571 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -7.656 10.420 -3.655 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -8.609 9.168 -4.426 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -9.063 11.726 -5.141 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -10.447 10.679 -4.899 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.314 12.784 -3.026 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.993 12.373 -3.316 1.00 0.00 H new ATOM 1504 N LEU B 5 -7.479 9.962 -0.895 1.00 0.00 N ATOM 1505 CA LEU B 5 -6.622 9.512 0.196 1.00 0.00 C ATOM 1506 C LEU B 5 -7.441 9.010 1.381 1.00 0.00 C ATOM 1507 O LEU B 5 -7.165 7.934 1.895 1.00 0.00 O ATOM 1508 CB LEU B 5 -5.679 10.620 0.695 1.00 0.00 C ATOM 1509 CG LEU B 5 -4.237 10.560 0.182 1.00 0.00 C ATOM 1510 CD1 LEU B 5 -3.426 11.606 0.961 1.00 0.00 C ATOM 1511 CD2 LEU B 5 -3.574 9.189 0.395 1.00 0.00 C ATOM 0 H LEU B 5 -7.297 10.915 -1.210 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.026 8.697 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -6.103 11.584 0.414 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -5.657 10.587 1.784 1.00 0.00 H new ATOM 0 HG LEU B 5 -4.256 10.748 -0.892 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -2.391 11.591 0.621 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -3.850 12.596 0.791 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -3.461 11.375 2.026 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -2.555 9.214 0.010 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.554 8.956 1.460 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -4.143 8.424 -0.133 1.00 0.00 H new ATOM 1523 N ASP B 6 -8.416 9.790 1.849 1.00 0.00 N ATOM 1524 CA ASP B 6 -9.175 9.436 3.038 1.00 0.00 C ATOM 1525 C ASP B 6 -9.956 8.147 2.800 1.00 0.00 C ATOM 1526 O ASP B 6 -9.998 7.282 3.670 1.00 0.00 O ATOM 1527 CB ASP B 6 -10.093 10.581 3.459 1.00 0.00 C ATOM 1528 CG ASP B 6 -10.712 10.298 4.824 1.00 0.00 C ATOM 1529 OD1 ASP B 6 -9.970 10.437 5.823 1.00 0.00 O ATOM 1530 OD2 ASP B 6 -11.910 9.941 4.842 1.00 0.00 O ATOM 0 H ASP B 6 -8.695 10.672 1.419 1.00 0.00 H new ATOM 0 HA ASP B 6 -8.479 9.261 3.859 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -9.528 11.513 3.496 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -10.880 10.715 2.717 1.00 0.00 H new ATOM 1535 N GLN B 7 -10.543 7.996 1.611 1.00 0.00 N ATOM 1536 CA GLN B 7 -11.221 6.765 1.233 1.00 0.00 C ATOM 1537 C GLN B 7 -10.237 5.587 1.216 1.00 0.00 C ATOM 1538 O GLN B 7 -10.545 4.516 1.737 1.00 0.00 O ATOM 1539 CB GLN B 7 -11.921 6.957 -0.120 1.00 0.00 C ATOM 1540 CG GLN B 7 -12.620 5.693 -0.646 1.00 0.00 C ATOM 1541 CD GLN B 7 -13.694 5.152 0.296 1.00 0.00 C ATOM 1542 OE1 GLN B 7 -14.873 5.440 0.130 1.00 0.00 O ATOM 1543 NE2 GLN B 7 -13.307 4.353 1.287 1.00 0.00 N ATOM 0 H GLN B 7 -10.559 8.719 0.892 1.00 0.00 H new ATOM 0 HA GLN B 7 -11.984 6.527 1.974 1.00 0.00 H new ATOM 0 HB2 GLN B 7 -12.657 7.755 -0.027 1.00 0.00 H new ATOM 0 HB3 GLN B 7 -11.186 7.286 -0.855 1.00 0.00 H new ATOM 0 HG2 GLN B 7 -13.074 5.914 -1.612 1.00 0.00 H new ATOM 0 HG3 GLN B 7 -11.872 4.918 -0.815 1.00 0.00 H new ATOM 0 HE21 GLN B 7 -12.319 4.128 1.404 1.00 0.00 H new ATOM 0 HE22 GLN B 7 -13.998 3.966 1.929 1.00 0.00 H new ATOM 1552 N ALA B 8 -9.069 5.763 0.598 1.00 0.00 N ATOM 1553 CA ALA B 8 -8.058 4.720 0.478 1.00 0.00 C ATOM 1554 C ALA B 8 -7.536 4.298 1.858 1.00 0.00 C ATOM 1555 O ALA B 8 -7.453 3.112 2.178 1.00 0.00 O ATOM 1556 CB ALA B 8 -6.932 5.240 -0.409 1.00 0.00 C ATOM 0 H ALA B 8 -8.798 6.645 0.163 1.00 0.00 H new ATOM 0 HA ALA B 8 -8.496 3.831 0.023 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -6.165 4.472 -0.511 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -7.329 5.489 -1.393 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -6.496 6.131 0.042 1.00 0.00 H new ATOM 1562 N ILE B 9 -7.213 5.284 2.694 1.00 0.00 N ATOM 1563 CA ILE B 9 -6.909 5.096 4.102 1.00 0.00 C ATOM 1564 C ILE B 9 -8.047 4.284 4.726 1.00 0.00 C ATOM 1565 O ILE B 9 -7.801 3.229 5.300 1.00 0.00 O ATOM 1566 CB ILE B 9 -6.695 6.472 4.768 1.00 0.00 C ATOM 1567 CG1 ILE B 9 -5.341 7.066 4.335 1.00 0.00 C ATOM 1568 CG2 ILE B 9 -6.779 6.384 6.297 1.00 0.00 C ATOM 1569 CD1 ILE B 9 -5.177 8.536 4.731 1.00 0.00 C ATOM 0 H ILE B 9 -7.156 6.258 2.398 1.00 0.00 H new ATOM 0 HA ILE B 9 -5.984 4.539 4.250 1.00 0.00 H new ATOM 0 HB ILE B 9 -7.497 7.131 4.435 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -4.536 6.483 4.782 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -5.239 6.973 3.254 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -6.623 7.373 6.727 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -7.762 6.013 6.587 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -6.012 5.703 6.665 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -4.203 8.896 4.398 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -5.963 9.129 4.263 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -5.248 8.631 5.815 1.00 0.00 H new ATOM 1581 N GLY B 10 -9.288 4.752 4.573 1.00 0.00 N ATOM 1582 CA GLY B 10 -10.495 4.074 5.022 1.00 0.00 C ATOM 1583 C GLY B 10 -10.508 2.598 4.628 1.00 0.00 C ATOM 1584 O GLY B 10 -10.794 1.739 5.456 1.00 0.00 O ATOM 0 H GLY B 10 -9.481 5.644 4.117 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -10.576 4.160 6.106 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -11.368 4.570 4.597 1.00 0.00 H new ATOM 1588 N LEU B 11 -10.182 2.291 3.371 1.00 0.00 N ATOM 1589 CA LEU B 11 -10.041 0.922 2.894 1.00 0.00 C ATOM 1590 C LEU B 11 -8.995 0.156 3.717 1.00 0.00 C ATOM 1591 O LEU B 11 -9.308 -0.904 4.261 1.00 0.00 O ATOM 1592 CB LEU B 11 -9.736 0.929 1.386 1.00 0.00 C ATOM 1593 CG LEU B 11 -11.022 0.950 0.544 1.00 0.00 C ATOM 1594 CD1 LEU B 11 -10.839 1.753 -0.748 1.00 0.00 C ATOM 1595 CD2 LEU B 11 -11.416 -0.488 0.189 1.00 0.00 C ATOM 0 H LEU B 11 -10.008 2.994 2.653 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.980 0.387 3.034 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -9.128 1.800 1.142 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -9.148 0.048 1.130 1.00 0.00 H new ATOM 0 HG LEU B 11 -11.804 1.429 1.134 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -11.769 1.745 -1.316 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -10.573 2.781 -0.503 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -10.045 1.305 -1.345 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -12.328 -0.479 -0.408 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -10.613 -0.955 -0.382 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -11.588 -1.055 1.104 1.00 0.00 H new ATOM 1607 N LEU B 12 -7.768 0.672 3.842 1.00 0.00 N ATOM 1608 CA LEU B 12 -6.720 -0.004 4.616 1.00 0.00 C ATOM 1609 C LEU B 12 -7.148 -0.217 6.077 1.00 0.00 C ATOM 1610 O LEU B 12 -6.941 -1.301 6.630 1.00 0.00 O ATOM 1611 CB LEU B 12 -5.376 0.741 4.518 1.00 0.00 C ATOM 1612 CG LEU B 12 -4.511 0.258 3.338 1.00 0.00 C ATOM 1613 CD1 LEU B 12 -5.182 0.510 1.990 1.00 0.00 C ATOM 1614 CD2 LEU B 12 -3.158 0.974 3.342 1.00 0.00 C ATOM 0 H LEU B 12 -7.476 1.553 3.419 1.00 0.00 H new ATOM 0 HA LEU B 12 -6.574 -0.990 4.176 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -5.565 1.809 4.411 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -4.823 0.607 5.447 1.00 0.00 H new ATOM 0 HG LEU B 12 -4.378 -0.816 3.468 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -4.535 0.153 1.189 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -6.133 -0.021 1.952 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -5.358 1.578 1.865 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -2.558 0.622 2.503 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -3.315 2.049 3.251 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -2.637 0.761 4.275 1.00 0.00 H new ATOM 1626 N ILE B 13 -7.744 0.806 6.700 1.00 0.00 N ATOM 1627 CA ILE B 13 -8.345 0.701 8.029 1.00 0.00 C ATOM 1628 C ILE B 13 -9.360 -0.441 8.057 1.00 0.00 C ATOM 1629 O ILE B 13 -9.269 -1.321 8.906 1.00 0.00 O ATOM 1630 CB ILE B 13 -9.016 2.021 8.463 1.00 0.00 C ATOM 1631 CG1 ILE B 13 -7.973 3.137 8.636 1.00 0.00 C ATOM 1632 CG2 ILE B 13 -9.813 1.825 9.767 1.00 0.00 C ATOM 1633 CD1 ILE B 13 -8.637 4.462 9.018 1.00 0.00 C ATOM 0 H ILE B 13 -7.822 1.737 6.290 1.00 0.00 H new ATOM 0 HA ILE B 13 -7.544 0.492 8.738 1.00 0.00 H new ATOM 0 HB ILE B 13 -9.708 2.319 7.676 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -7.256 2.852 9.406 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -7.413 3.262 7.709 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -10.278 2.768 10.055 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -10.586 1.072 9.611 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -9.140 1.496 10.559 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -7.874 5.232 9.133 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -9.335 4.758 8.235 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -9.175 4.341 9.958 1.00 0.00 H new ATOM 1645 N GLY B 14 -10.345 -0.413 7.159 1.00 0.00 N ATOM 1646 CA GLY B 14 -11.417 -1.392 7.110 1.00 0.00 C ATOM 1647 C GLY B 14 -10.841 -2.801 7.033 1.00 0.00 C ATOM 1648 O GLY B 14 -11.183 -3.665 7.839 1.00 0.00 O ATOM 0 H GLY B 14 -10.416 0.304 6.437 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -12.047 -1.297 7.995 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -12.052 -1.203 6.245 1.00 0.00 H new ATOM 1652 N ILE B 15 -9.929 -3.012 6.081 1.00 0.00 N ATOM 1653 CA ILE B 15 -9.223 -4.274 5.933 1.00 0.00 C ATOM 1654 C ILE B 15 -8.542 -4.664 7.246 1.00 0.00 C ATOM 1655 O ILE B 15 -8.639 -5.815 7.659 1.00 0.00 O ATOM 1656 CB ILE B 15 -8.223 -4.188 4.768 1.00 0.00 C ATOM 1657 CG1 ILE B 15 -8.940 -4.070 3.408 1.00 0.00 C ATOM 1658 CG2 ILE B 15 -7.271 -5.390 4.802 1.00 0.00 C ATOM 1659 CD1 ILE B 15 -9.554 -5.376 2.889 1.00 0.00 C ATOM 0 H ILE B 15 -9.663 -2.307 5.393 1.00 0.00 H new ATOM 0 HA ILE B 15 -9.939 -5.060 5.695 1.00 0.00 H new ATOM 0 HB ILE B 15 -7.634 -3.279 4.890 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -9.729 -3.323 3.493 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -8.229 -3.701 2.669 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -6.567 -5.320 3.973 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -6.723 -5.394 5.744 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -7.846 -6.312 4.713 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -10.036 -5.195 1.928 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -8.770 -6.123 2.767 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -10.293 -5.739 3.603 1.00 0.00 H new ATOM 1671 N PHE B 16 -7.853 -3.730 7.908 1.00 0.00 N ATOM 1672 CA PHE B 16 -7.244 -4.032 9.195 1.00 0.00 C ATOM 1673 C PHE B 16 -8.310 -4.521 10.176 1.00 0.00 C ATOM 1674 O PHE B 16 -8.253 -5.652 10.656 1.00 0.00 O ATOM 1675 CB PHE B 16 -6.513 -2.805 9.752 1.00 0.00 C ATOM 1676 CG PHE B 16 -5.692 -3.099 10.989 1.00 0.00 C ATOM 1677 CD1 PHE B 16 -4.555 -3.917 10.888 1.00 0.00 C ATOM 1678 CD2 PHE B 16 -6.049 -2.549 12.234 1.00 0.00 C ATOM 1679 CE1 PHE B 16 -3.730 -4.118 12.004 1.00 0.00 C ATOM 1680 CE2 PHE B 16 -5.236 -2.773 13.358 1.00 0.00 C ATOM 1681 CZ PHE B 16 -4.082 -3.566 13.245 1.00 0.00 C ATOM 0 H PHE B 16 -7.707 -2.776 7.577 1.00 0.00 H new ATOM 0 HA PHE B 16 -6.508 -4.824 9.056 1.00 0.00 H new ATOM 0 HB2 PHE B 16 -5.859 -2.400 8.980 1.00 0.00 H new ATOM 0 HB3 PHE B 16 -7.245 -2.032 9.987 1.00 0.00 H new ATOM 0 HD1 PHE B 16 -4.315 -4.393 9.948 1.00 0.00 H new ATOM 0 HD2 PHE B 16 -6.947 -1.956 12.326 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -2.824 -4.698 11.908 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -5.499 -2.335 14.310 1.00 0.00 H new ATOM 0 HZ PHE B 16 -3.466 -3.751 14.113 1.00 0.00 H new ATOM 1691 N HIS B 17 -9.302 -3.668 10.440 1.00 0.00 N ATOM 1692 CA HIS B 17 -10.339 -3.896 11.431 1.00 0.00 C ATOM 1693 C HIS B 17 -11.069 -5.217 11.185 1.00 0.00 C ATOM 1694 O HIS B 17 -11.435 -5.898 12.143 1.00 0.00 O ATOM 1695 CB HIS B 17 -11.297 -2.699 11.463 1.00 0.00 C ATOM 1696 CG HIS B 17 -12.131 -2.642 12.718 1.00 0.00 C ATOM 1697 ND1 HIS B 17 -12.721 -3.713 13.351 1.00 0.00 N ATOM 1698 CD2 HIS B 17 -12.366 -1.530 13.485 1.00 0.00 C ATOM 1699 CE1 HIS B 17 -13.314 -3.249 14.465 1.00 0.00 C ATOM 1700 NE2 HIS B 17 -13.116 -1.927 14.597 1.00 0.00 N ATOM 0 H HIS B 17 -9.403 -2.777 9.953 1.00 0.00 H new ATOM 0 HA HIS B 17 -9.875 -3.984 12.414 1.00 0.00 H new ATOM 0 HB2 HIS B 17 -10.721 -1.778 11.375 1.00 0.00 H new ATOM 0 HB3 HIS B 17 -11.957 -2.746 10.597 1.00 0.00 H new ATOM 0 HD1 HIS B 17 -12.710 -4.682 13.033 1.00 0.00 H new ATOM 0 HD2 HIS B 17 -12.032 -0.526 13.269 1.00 0.00 H new ATOM 0 HE1 HIS B 17 -13.874 -3.857 15.160 1.00 0.00 H new ATOM 1708 N LYS B 18 -11.275 -5.577 9.915 1.00 0.00 N ATOM 1709 CA LYS B 18 -11.890 -6.830 9.501 1.00 0.00 C ATOM 1710 C LYS B 18 -11.209 -8.050 10.137 1.00 0.00 C ATOM 1711 O LYS B 18 -11.880 -9.055 10.360 1.00 0.00 O ATOM 1712 CB LYS B 18 -11.892 -6.895 7.965 1.00 0.00 C ATOM 1713 CG LYS B 18 -12.556 -8.153 7.389 1.00 0.00 C ATOM 1714 CD LYS B 18 -12.647 -8.022 5.862 1.00 0.00 C ATOM 1715 CE LYS B 18 -13.269 -9.263 5.212 1.00 0.00 C ATOM 1716 NZ LYS B 18 -12.372 -10.431 5.277 1.00 0.00 N ATOM 0 H LYS B 18 -11.009 -4.984 9.129 1.00 0.00 H new ATOM 0 HA LYS B 18 -12.919 -6.858 9.859 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -12.406 -6.016 7.576 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -10.863 -6.846 7.609 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -11.979 -9.038 7.656 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -13.551 -8.281 7.815 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -13.242 -7.144 5.609 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -11.650 -7.860 5.453 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -14.209 -9.500 5.710 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -13.506 -9.046 4.170 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -12.237 -10.819 4.321 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -11.452 -10.141 5.666 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -12.793 -11.158 5.889 1.00 0.00 H new ATOM 1730 N TYR B 19 -9.900 -7.986 10.414 1.00 0.00 N ATOM 1731 CA TYR B 19 -9.149 -9.091 11.005 1.00 0.00 C ATOM 1732 C TYR B 19 -8.675 -8.770 12.427 1.00 0.00 C ATOM 1733 O TYR B 19 -8.607 -9.674 13.256 1.00 0.00 O ATOM 1734 CB TYR B 19 -7.978 -9.476 10.093 1.00 0.00 C ATOM 1735 CG TYR B 19 -8.396 -10.126 8.785 1.00 0.00 C ATOM 1736 CD1 TYR B 19 -8.786 -9.327 7.694 1.00 0.00 C ATOM 1737 CD2 TYR B 19 -8.428 -11.527 8.662 1.00 0.00 C ATOM 1738 CE1 TYR B 19 -9.153 -9.920 6.473 1.00 0.00 C ATOM 1739 CE2 TYR B 19 -8.831 -12.121 7.453 1.00 0.00 C ATOM 1740 CZ TYR B 19 -9.163 -11.319 6.350 1.00 0.00 C ATOM 1741 OH TYR B 19 -9.535 -11.909 5.178 1.00 0.00 O ATOM 0 H TYR B 19 -9.332 -7.158 10.231 1.00 0.00 H new ATOM 0 HA TYR B 19 -9.818 -9.947 11.091 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -7.395 -8.582 9.872 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -7.322 -10.159 10.632 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -8.803 -8.252 7.795 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -8.142 -12.148 9.498 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -9.427 -9.301 5.631 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -8.885 -13.197 7.373 1.00 0.00 H new ATOM 0 HH TYR B 19 -9.550 -11.238 4.464 1.00 0.00 H new ATOM 1751 N SER B 20 -8.334 -7.515 12.731 1.00 0.00 N ATOM 1752 CA SER B 20 -7.885 -7.145 14.065 1.00 0.00 C ATOM 1753 C SER B 20 -9.059 -7.105 15.043 1.00 0.00 C ATOM 1754 O SER B 20 -8.896 -7.475 16.207 1.00 0.00 O ATOM 1755 CB SER B 20 -7.115 -5.822 14.043 1.00 0.00 C ATOM 1756 OG SER B 20 -7.974 -4.734 13.781 1.00 0.00 O ATOM 0 H SER B 20 -8.362 -6.741 12.067 1.00 0.00 H new ATOM 0 HA SER B 20 -7.194 -7.911 14.416 1.00 0.00 H new ATOM 0 HB2 SER B 20 -6.617 -5.673 15.001 1.00 0.00 H new ATOM 0 HB3 SER B 20 -6.336 -5.865 13.282 1.00 0.00 H new ATOM 0 HG SER B 20 -7.462 -4.003 13.375 1.00 0.00 H new ATOM 1847 N HIS B 27 -6.098 -2.863 17.918 1.00 0.00 N ATOM 1848 CA HIS B 27 -5.060 -2.005 17.363 1.00 0.00 C ATOM 1849 C HIS B 27 -3.913 -2.890 16.850 1.00 0.00 C ATOM 1850 O HIS B 27 -3.031 -2.406 16.141 1.00 0.00 O ATOM 1851 CB HIS B 27 -4.593 -1.040 18.464 1.00 0.00 C ATOM 1852 CG HIS B 27 -3.409 -0.153 18.147 1.00 0.00 C ATOM 1853 ND1 HIS B 27 -2.486 0.281 19.069 1.00 0.00 N ATOM 1854 CD2 HIS B 27 -3.012 0.321 16.924 1.00 0.00 C ATOM 1855 CE1 HIS B 27 -1.533 0.960 18.411 1.00 0.00 C ATOM 1856 NE2 HIS B 27 -1.790 0.986 17.092 1.00 0.00 N ATOM 0 HA HIS B 27 -5.431 -1.415 16.524 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -5.434 -0.399 18.731 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -4.347 -1.629 19.348 1.00 0.00 H new ATOM 0 HD1 HIS B 27 -2.519 0.116 20.075 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -3.547 0.203 15.993 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -0.676 1.423 18.878 1.00 0.00 H new ATOM 1864 N THR B 28 -3.927 -4.184 17.192 1.00 0.00 N ATOM 1865 CA THR B 28 -2.903 -5.146 16.835 1.00 0.00 C ATOM 1866 C THR B 28 -3.512 -6.408 16.219 1.00 0.00 C ATOM 1867 O THR B 28 -4.715 -6.641 16.339 1.00 0.00 O ATOM 1868 CB THR B 28 -2.066 -5.481 18.080 1.00 0.00 C ATOM 1869 OG1 THR B 28 -2.806 -6.282 18.980 1.00 0.00 O ATOM 1870 CG2 THR B 28 -1.558 -4.259 18.848 1.00 0.00 C ATOM 0 H THR B 28 -4.681 -4.594 17.743 1.00 0.00 H new ATOM 0 HA THR B 28 -2.254 -4.707 16.077 1.00 0.00 H new ATOM 0 HB THR B 28 -1.197 -6.012 17.692 1.00 0.00 H new ATOM 0 HG1 THR B 28 -2.256 -6.486 19.765 1.00 0.00 H new ATOM 0 HG21 THR B 28 -0.978 -4.587 19.710 1.00 0.00 H new ATOM 0 HG22 THR B 28 -0.928 -3.655 18.195 1.00 0.00 H new ATOM 0 HG23 THR B 28 -2.406 -3.664 19.186 1.00 0.00 H new ATOM 1878 N LEU B 29 -2.676 -7.217 15.560 1.00 0.00 N ATOM 1879 CA LEU B 29 -3.015 -8.557 15.093 1.00 0.00 C ATOM 1880 C LEU B 29 -1.727 -9.354 14.857 1.00 0.00 C ATOM 1881 O LEU B 29 -0.641 -8.782 14.924 1.00 0.00 O ATOM 1882 CB LEU B 29 -3.968 -8.524 13.888 1.00 0.00 C ATOM 1883 CG LEU B 29 -3.666 -7.478 12.807 1.00 0.00 C ATOM 1884 CD1 LEU B 29 -2.230 -7.558 12.288 1.00 0.00 C ATOM 1885 CD2 LEU B 29 -4.624 -7.663 11.627 1.00 0.00 C ATOM 0 H LEU B 29 -1.719 -6.946 15.333 1.00 0.00 H new ATOM 0 HA LEU B 29 -3.580 -9.081 15.864 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -3.962 -9.509 13.421 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -4.979 -8.352 14.257 1.00 0.00 H new ATOM 0 HG LEU B 29 -3.799 -6.501 13.271 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -2.075 -6.794 11.526 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.536 -7.394 13.112 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -2.054 -8.543 11.856 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -4.406 -6.918 10.861 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -4.497 -8.661 11.208 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.651 -7.541 11.970 1.00 0.00 H new ATOM 1897 N SER B 30 -1.829 -10.671 14.641 1.00 0.00 N ATOM 1898 CA SER B 30 -0.682 -11.577 14.626 1.00 0.00 C ATOM 1899 C SER B 30 -0.452 -12.229 13.260 1.00 0.00 C ATOM 1900 O SER B 30 -1.274 -12.110 12.348 1.00 0.00 O ATOM 1901 CB SER B 30 -0.891 -12.660 15.695 1.00 0.00 C ATOM 1902 OG SER B 30 -1.928 -13.548 15.324 1.00 0.00 O ATOM 0 H SER B 30 -2.719 -11.139 14.471 1.00 0.00 H new ATOM 0 HA SER B 30 0.208 -10.986 14.841 1.00 0.00 H new ATOM 0 HB2 SER B 30 0.035 -13.217 15.839 1.00 0.00 H new ATOM 0 HB3 SER B 30 -1.133 -12.192 16.649 1.00 0.00 H new ATOM 0 HG SER B 30 -2.698 -13.035 15.002 1.00 0.00 H new ATOM 1908 N LYS B 31 0.661 -12.970 13.173 1.00 0.00 N ATOM 1909 CA LYS B 31 1.051 -13.873 12.096 1.00 0.00 C ATOM 1910 C LYS B 31 -0.149 -14.430 11.334 1.00 0.00 C ATOM 1911 O LYS B 31 -0.270 -14.229 10.129 1.00 0.00 O ATOM 1912 CB LYS B 31 1.871 -15.048 12.661 1.00 0.00 C ATOM 1913 CG LYS B 31 3.201 -14.609 13.283 1.00 0.00 C ATOM 1914 CD LYS B 31 4.104 -15.793 13.665 1.00 0.00 C ATOM 1915 CE LYS B 31 3.581 -16.620 14.847 1.00 0.00 C ATOM 1916 NZ LYS B 31 3.583 -15.851 16.106 1.00 0.00 N ATOM 0 H LYS B 31 1.362 -12.948 13.914 1.00 0.00 H new ATOM 0 HA LYS B 31 1.650 -13.288 11.399 1.00 0.00 H new ATOM 0 HB2 LYS B 31 1.279 -15.568 13.414 1.00 0.00 H new ATOM 0 HB3 LYS B 31 2.069 -15.763 11.862 1.00 0.00 H new ATOM 0 HG2 LYS B 31 3.731 -13.967 12.579 1.00 0.00 H new ATOM 0 HG3 LYS B 31 3.000 -14.010 14.172 1.00 0.00 H new ATOM 0 HD2 LYS B 31 4.216 -16.446 12.799 1.00 0.00 H new ATOM 0 HD3 LYS B 31 5.097 -15.415 13.910 1.00 0.00 H new ATOM 0 HE2 LYS B 31 2.568 -16.959 14.631 1.00 0.00 H new ATOM 0 HE3 LYS B 31 4.197 -17.511 14.966 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 3.353 -16.483 16.899 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 4.524 -15.435 16.257 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 2.874 -15.093 16.051 1.00 0.00 H new ATOM 1930 N LYS B 32 -1.029 -15.143 12.040 1.00 0.00 N ATOM 1931 CA LYS B 32 -2.190 -15.794 11.464 1.00 0.00 C ATOM 1932 C LYS B 32 -3.027 -14.797 10.659 1.00 0.00 C ATOM 1933 O LYS B 32 -3.307 -15.014 9.480 1.00 0.00 O ATOM 1934 CB LYS B 32 -2.971 -16.431 12.620 1.00 0.00 C ATOM 1935 CG LYS B 32 -4.152 -17.275 12.137 1.00 0.00 C ATOM 1936 CD LYS B 32 -4.656 -18.186 13.262 1.00 0.00 C ATOM 1937 CE LYS B 32 -5.260 -17.438 14.460 1.00 0.00 C ATOM 1938 NZ LYS B 32 -6.395 -16.587 14.069 1.00 0.00 N ATOM 0 H LYS B 32 -0.946 -15.282 13.047 1.00 0.00 H new ATOM 0 HA LYS B 32 -1.900 -16.570 10.756 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -2.298 -17.056 13.207 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -3.337 -15.646 13.283 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -4.958 -16.624 11.800 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -3.850 -17.878 11.281 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -5.407 -18.863 12.856 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -3.828 -18.802 13.613 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -5.590 -18.159 15.208 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -4.491 -16.823 14.927 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -7.133 -16.636 14.800 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -6.073 -15.603 13.967 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -6.782 -16.920 13.163 1.00 0.00 H new ATOM 1952 N GLU B 33 -3.396 -13.680 11.290 1.00 0.00 N ATOM 1953 CA GLU B 33 -4.179 -12.647 10.634 1.00 0.00 C ATOM 1954 C GLU B 33 -3.420 -12.075 9.440 1.00 0.00 C ATOM 1955 O GLU B 33 -4.037 -11.808 8.419 1.00 0.00 O ATOM 1956 CB GLU B 33 -4.555 -11.519 11.596 1.00 0.00 C ATOM 1957 CG GLU B 33 -5.577 -11.919 12.668 1.00 0.00 C ATOM 1958 CD GLU B 33 -4.965 -12.771 13.770 1.00 0.00 C ATOM 1959 OE1 GLU B 33 -4.154 -12.206 14.537 1.00 0.00 O ATOM 1960 OE2 GLU B 33 -5.297 -13.974 13.816 1.00 0.00 O ATOM 0 H GLU B 33 -3.160 -13.473 12.261 1.00 0.00 H new ATOM 0 HA GLU B 33 -5.100 -13.115 10.287 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -3.651 -11.160 12.088 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -4.957 -10.685 11.021 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -6.009 -11.020 13.107 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -6.393 -12.469 12.200 1.00 0.00 H new ATOM 1967 N LEU B 34 -2.108 -11.860 9.552 1.00 0.00 N ATOM 1968 CA LEU B 34 -1.311 -11.305 8.458 1.00 0.00 C ATOM 1969 C LEU B 34 -1.281 -12.257 7.256 1.00 0.00 C ATOM 1970 O LEU B 34 -1.514 -11.847 6.117 1.00 0.00 O ATOM 1971 CB LEU B 34 0.102 -10.978 8.948 1.00 0.00 C ATOM 1972 CG LEU B 34 0.097 -9.850 9.992 1.00 0.00 C ATOM 1973 CD1 LEU B 34 1.394 -9.906 10.796 1.00 0.00 C ATOM 1974 CD2 LEU B 34 -0.045 -8.470 9.336 1.00 0.00 C ATOM 0 H LEU B 34 -1.572 -12.064 10.396 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.779 -10.379 8.124 1.00 0.00 H new ATOM 0 HB2 LEU B 34 0.553 -11.871 9.380 1.00 0.00 H new ATOM 0 HB3 LEU B 34 0.722 -10.686 8.100 1.00 0.00 H new ATOM 0 HG LEU B 34 -0.762 -9.995 10.647 1.00 0.00 H new ATOM 0 HD11 LEU B 34 1.397 -9.108 11.539 1.00 0.00 H new ATOM 0 HD12 LEU B 34 1.469 -10.870 11.299 1.00 0.00 H new ATOM 0 HD13 LEU B 34 2.244 -9.780 10.125 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -0.044 -7.699 10.107 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.790 -8.303 8.655 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -0.981 -8.426 8.780 1.00 0.00 H new ATOM 1986 N LYS B 35 -1.005 -13.537 7.510 1.00 0.00 N ATOM 1987 CA LYS B 35 -1.026 -14.562 6.482 1.00 0.00 C ATOM 1988 C LYS B 35 -2.410 -14.612 5.832 1.00 0.00 C ATOM 1989 O LYS B 35 -2.507 -14.588 4.607 1.00 0.00 O ATOM 1990 CB LYS B 35 -0.614 -15.919 7.066 1.00 0.00 C ATOM 1991 CG LYS B 35 0.873 -15.927 7.454 1.00 0.00 C ATOM 1992 CD LYS B 35 1.269 -17.304 7.999 1.00 0.00 C ATOM 1993 CE LYS B 35 2.703 -17.317 8.542 1.00 0.00 C ATOM 1994 NZ LYS B 35 3.693 -16.940 7.518 1.00 0.00 N ATOM 0 H LYS B 35 -0.761 -13.886 8.437 1.00 0.00 H new ATOM 0 HA LYS B 35 -0.300 -14.315 5.707 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -1.223 -16.141 7.943 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -0.807 -16.706 6.337 1.00 0.00 H new ATOM 0 HG2 LYS B 35 1.484 -15.682 6.586 1.00 0.00 H new ATOM 0 HG3 LYS B 35 1.065 -15.161 8.206 1.00 0.00 H new ATOM 0 HD2 LYS B 35 0.579 -17.592 8.792 1.00 0.00 H new ATOM 0 HD3 LYS B 35 1.174 -18.048 7.208 1.00 0.00 H new ATOM 0 HE2 LYS B 35 2.776 -16.630 9.385 1.00 0.00 H new ATOM 0 HE3 LYS B 35 2.937 -18.312 8.921 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 4.652 -17.061 7.901 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 3.575 -17.547 6.681 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 3.551 -15.946 7.247 1.00 0.00 H new ATOM 2008 N GLU B 36 -3.477 -14.639 6.639 1.00 0.00 N ATOM 2009 CA GLU B 36 -4.841 -14.579 6.126 1.00 0.00 C ATOM 2010 C GLU B 36 -5.057 -13.330 5.272 1.00 0.00 C ATOM 2011 O GLU B 36 -5.560 -13.434 4.160 1.00 0.00 O ATOM 2012 CB GLU B 36 -5.859 -14.633 7.273 1.00 0.00 C ATOM 2013 CG GLU B 36 -6.376 -16.054 7.521 1.00 0.00 C ATOM 2014 CD GLU B 36 -5.288 -17.031 7.963 1.00 0.00 C ATOM 2015 OE1 GLU B 36 -4.546 -17.505 7.074 1.00 0.00 O ATOM 2016 OE2 GLU B 36 -5.240 -17.310 9.180 1.00 0.00 O ATOM 0 H GLU B 36 -3.416 -14.702 7.655 1.00 0.00 H new ATOM 0 HA GLU B 36 -4.995 -15.451 5.490 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -5.398 -14.252 8.184 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -6.699 -13.978 7.042 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -7.155 -16.021 8.283 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -6.839 -16.428 6.608 1.00 0.00 H new ATOM 2023 N LEU B 37 -4.704 -12.156 5.790 1.00 0.00 N ATOM 2024 CA LEU B 37 -4.829 -10.883 5.095 1.00 0.00 C ATOM 2025 C LEU B 37 -4.251 -11.004 3.689 1.00 0.00 C ATOM 2026 O LEU B 37 -4.975 -10.783 2.720 1.00 0.00 O ATOM 2027 CB LEU B 37 -4.150 -9.750 5.882 1.00 0.00 C ATOM 2028 CG LEU B 37 -5.074 -9.114 6.932 1.00 0.00 C ATOM 2029 CD1 LEU B 37 -4.248 -8.371 7.988 1.00 0.00 C ATOM 2030 CD2 LEU B 37 -6.012 -8.108 6.261 1.00 0.00 C ATOM 0 H LEU B 37 -4.314 -12.064 6.728 1.00 0.00 H new ATOM 0 HA LEU B 37 -5.886 -10.630 5.017 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -3.261 -10.140 6.377 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -3.816 -8.981 5.186 1.00 0.00 H new ATOM 0 HG LEU B 37 -5.650 -9.909 7.405 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -4.916 -7.926 8.725 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.576 -9.072 8.484 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -3.664 -7.587 7.507 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -6.664 -7.661 7.012 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -5.424 -7.326 5.780 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -6.618 -8.619 5.512 1.00 0.00 H new ATOM 2042 N ILE B 38 -2.975 -11.386 3.562 1.00 0.00 N ATOM 2043 CA ILE B 38 -2.407 -11.618 2.238 1.00 0.00 C ATOM 2044 C ILE B 38 -3.237 -12.670 1.493 1.00 0.00 C ATOM 2045 O ILE B 38 -3.780 -12.373 0.437 1.00 0.00 O ATOM 2046 CB ILE B 38 -0.889 -11.914 2.306 1.00 0.00 C ATOM 2047 CG1 ILE B 38 -0.060 -10.652 2.004 1.00 0.00 C ATOM 2048 CG2 ILE B 38 -0.432 -12.983 1.300 1.00 0.00 C ATOM 2049 CD1 ILE B 38 -0.386 -9.458 2.902 1.00 0.00 C ATOM 0 H ILE B 38 -2.334 -11.537 4.341 1.00 0.00 H new ATOM 0 HA ILE B 38 -2.471 -10.705 1.646 1.00 0.00 H new ATOM 0 HB ILE B 38 -0.724 -12.272 3.322 1.00 0.00 H new ATOM 0 HG12 ILE B 38 0.998 -10.892 2.108 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -0.221 -10.365 0.965 1.00 0.00 H new ATOM 0 HG21 ILE B 38 0.642 -13.142 1.401 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -0.957 -13.917 1.498 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -0.656 -12.649 0.287 1.00 0.00 H new ATOM 0 HD11 ILE B 38 0.241 -8.611 2.624 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -1.435 -9.188 2.781 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -0.197 -9.723 3.942 1.00 0.00 H new ATOM 2061 N GLN B 39 -3.367 -13.881 2.033 1.00 0.00 N ATOM 2062 CA GLN B 39 -3.970 -15.009 1.335 1.00 0.00 C ATOM 2063 C GLN B 39 -5.346 -14.663 0.743 1.00 0.00 C ATOM 2064 O GLN B 39 -5.619 -14.997 -0.406 1.00 0.00 O ATOM 2065 CB GLN B 39 -4.026 -16.205 2.294 1.00 0.00 C ATOM 2066 CG GLN B 39 -4.460 -17.508 1.607 1.00 0.00 C ATOM 2067 CD GLN B 39 -4.784 -18.601 2.624 1.00 0.00 C ATOM 2068 OE1 GLN B 39 -5.839 -19.223 2.556 1.00 0.00 O ATOM 2069 NE2 GLN B 39 -3.900 -18.828 3.590 1.00 0.00 N ATOM 0 H GLN B 39 -3.053 -14.106 2.977 1.00 0.00 H new ATOM 0 HA GLN B 39 -3.352 -15.271 0.476 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -3.044 -16.348 2.744 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -4.719 -15.981 3.105 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -5.335 -17.318 0.986 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -3.666 -17.852 0.944 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -3.031 -18.295 3.621 1.00 0.00 H new ATOM 0 HE22 GLN B 39 -4.091 -19.535 4.300 1.00 0.00 H new ATOM 2078 N LYS B 40 -6.215 -14.022 1.528 1.00 0.00 N ATOM 2079 CA LYS B 40 -7.550 -13.632 1.104 1.00 0.00 C ATOM 2080 C LYS B 40 -7.488 -12.323 0.307 1.00 0.00 C ATOM 2081 O LYS B 40 -7.842 -12.281 -0.870 1.00 0.00 O ATOM 2082 CB LYS B 40 -8.485 -13.441 2.317 1.00 0.00 C ATOM 2083 CG LYS B 40 -9.132 -14.701 2.926 1.00 0.00 C ATOM 2084 CD LYS B 40 -8.296 -15.432 3.986 1.00 0.00 C ATOM 2085 CE LYS B 40 -7.463 -16.579 3.408 1.00 0.00 C ATOM 2086 NZ LYS B 40 -8.285 -17.745 3.043 1.00 0.00 N ATOM 0 H LYS B 40 -6.002 -13.758 2.490 1.00 0.00 H new ATOM 0 HA LYS B 40 -7.947 -14.430 0.476 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -7.918 -12.942 3.103 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -9.285 -12.763 2.021 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -10.085 -14.418 3.373 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -9.353 -15.400 2.119 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -7.632 -14.718 4.472 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -8.960 -15.825 4.756 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -6.927 -16.226 2.527 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -6.712 -16.882 4.138 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -7.665 -18.540 2.785 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -8.879 -18.017 3.852 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -8.891 -17.503 2.234 1.00 0.00 H new ATOM 2100 N GLU B 41 -7.080 -11.235 0.968 1.00 0.00 N ATOM 2101 CA GLU B 41 -7.225 -9.887 0.437 1.00 0.00 C ATOM 2102 C GLU B 41 -6.232 -9.586 -0.690 1.00 0.00 C ATOM 2103 O GLU B 41 -6.506 -8.726 -1.523 1.00 0.00 O ATOM 2104 CB GLU B 41 -7.137 -8.854 1.570 1.00 0.00 C ATOM 2105 CG GLU B 41 -8.005 -9.173 2.798 1.00 0.00 C ATOM 2106 CD GLU B 41 -9.493 -9.308 2.494 1.00 0.00 C ATOM 2107 OE1 GLU B 41 -9.972 -8.564 1.611 1.00 0.00 O ATOM 2108 OE2 GLU B 41 -10.130 -10.138 3.181 1.00 0.00 O ATOM 0 H GLU B 41 -6.640 -11.270 1.887 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.215 -9.817 -0.014 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -6.098 -8.771 1.888 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.429 -7.880 1.179 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -7.652 -10.101 3.247 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -7.867 -8.387 3.540 1.00 0.00 H new ATOM 2115 N LEU B 42 -5.092 -10.276 -0.733 1.00 0.00 N ATOM 2116 CA LEU B 42 -4.166 -10.258 -1.858 1.00 0.00 C ATOM 2117 C LEU B 42 -3.960 -11.701 -2.312 1.00 0.00 C ATOM 2118 O LEU B 42 -2.851 -12.228 -2.253 1.00 0.00 O ATOM 2119 CB LEU B 42 -2.840 -9.575 -1.481 1.00 0.00 C ATOM 2120 CG LEU B 42 -2.965 -8.069 -1.201 1.00 0.00 C ATOM 2121 CD1 LEU B 42 -1.616 -7.544 -0.705 1.00 0.00 C ATOM 2122 CD2 LEU B 42 -3.347 -7.263 -2.450 1.00 0.00 C ATOM 0 H LEU B 42 -4.783 -10.875 0.032 1.00 0.00 H new ATOM 0 HA LEU B 42 -4.578 -9.672 -2.679 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.430 -10.065 -0.598 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -2.124 -9.725 -2.289 1.00 0.00 H new ATOM 0 HG LEU B 42 -3.754 -7.946 -0.459 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -1.693 -6.476 -0.503 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -1.336 -8.067 0.210 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -0.856 -7.715 -1.468 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -3.421 -6.206 -2.193 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -2.584 -7.397 -3.217 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -4.308 -7.612 -2.829 1.00 0.00 H new ATOM 2243 N ASP B 50 8.484 -11.415 -5.802 1.00 0.00 N ATOM 2244 CA ASP B 50 9.190 -11.814 -4.585 1.00 0.00 C ATOM 2245 C ASP B 50 8.566 -11.195 -3.334 1.00 0.00 C ATOM 2246 O ASP B 50 8.442 -11.866 -2.312 1.00 0.00 O ATOM 2247 CB ASP B 50 10.661 -11.400 -4.700 1.00 0.00 C ATOM 2248 CG ASP B 50 11.430 -11.635 -3.411 1.00 0.00 C ATOM 2249 OD1 ASP B 50 11.788 -12.807 -3.167 1.00 0.00 O ATOM 2250 OD2 ASP B 50 11.646 -10.630 -2.700 1.00 0.00 O ATOM 0 HA ASP B 50 9.111 -12.896 -4.483 1.00 0.00 H new ATOM 0 HB2 ASP B 50 11.131 -11.960 -5.508 1.00 0.00 H new ATOM 0 HB3 ASP B 50 10.719 -10.345 -4.968 1.00 0.00 H new ATOM 2255 N ALA B 51 8.187 -9.916 -3.414 1.00 0.00 N ATOM 2256 CA ALA B 51 7.640 -9.137 -2.309 1.00 0.00 C ATOM 2257 C ALA B 51 6.769 -9.953 -1.353 1.00 0.00 C ATOM 2258 O ALA B 51 7.074 -10.055 -0.167 1.00 0.00 O ATOM 2259 CB ALA B 51 6.835 -7.975 -2.884 1.00 0.00 C ATOM 0 H ALA B 51 8.256 -9.381 -4.280 1.00 0.00 H new ATOM 0 HA ALA B 51 8.482 -8.780 -1.715 1.00 0.00 H new ATOM 0 HB1 ALA B 51 6.419 -7.382 -2.069 1.00 0.00 H new ATOM 0 HB2 ALA B 51 7.486 -7.348 -3.493 1.00 0.00 H new ATOM 0 HB3 ALA B 51 6.025 -8.364 -3.501 1.00 0.00 H new ATOM 2265 N GLU B 52 5.676 -10.525 -1.866 1.00 0.00 N ATOM 2266 CA GLU B 52 4.700 -11.229 -1.045 1.00 0.00 C ATOM 2267 C GLU B 52 5.299 -12.496 -0.430 1.00 0.00 C ATOM 2268 O GLU B 52 4.963 -12.853 0.698 1.00 0.00 O ATOM 2269 CB GLU B 52 3.437 -11.507 -1.873 1.00 0.00 C ATOM 2270 CG GLU B 52 2.258 -11.957 -1.001 1.00 0.00 C ATOM 2271 CD GLU B 52 0.947 -11.869 -1.777 1.00 0.00 C ATOM 2272 OE1 GLU B 52 0.384 -10.753 -1.802 1.00 0.00 O ATOM 2273 OE2 GLU B 52 0.549 -12.907 -2.345 1.00 0.00 O ATOM 0 H GLU B 52 5.448 -10.511 -2.860 1.00 0.00 H new ATOM 0 HA GLU B 52 4.413 -10.598 -0.204 1.00 0.00 H new ATOM 0 HB2 GLU B 52 3.158 -10.607 -2.421 1.00 0.00 H new ATOM 0 HB3 GLU B 52 3.653 -12.277 -2.614 1.00 0.00 H new ATOM 0 HG2 GLU B 52 2.419 -12.981 -0.664 1.00 0.00 H new ATOM 0 HG3 GLU B 52 2.201 -11.333 -0.109 1.00 0.00 H new ATOM 2280 N ILE B 53 6.203 -13.158 -1.156 1.00 0.00 N ATOM 2281 CA ILE B 53 6.871 -14.358 -0.683 1.00 0.00 C ATOM 2282 C ILE B 53 7.680 -13.945 0.548 1.00 0.00 C ATOM 2283 O ILE B 53 7.499 -14.485 1.640 1.00 0.00 O ATOM 2284 CB ILE B 53 7.775 -14.968 -1.781 1.00 0.00 C ATOM 2285 CG1 ILE B 53 7.085 -15.336 -3.113 1.00 0.00 C ATOM 2286 CG2 ILE B 53 8.439 -16.245 -1.244 1.00 0.00 C ATOM 2287 CD1 ILE B 53 6.363 -14.207 -3.855 1.00 0.00 C ATOM 0 H ILE B 53 6.489 -12.870 -2.092 1.00 0.00 H new ATOM 0 HA ILE B 53 6.149 -15.134 -0.428 1.00 0.00 H new ATOM 0 HB ILE B 53 8.481 -14.171 -2.013 1.00 0.00 H new ATOM 0 HG12 ILE B 53 7.838 -15.754 -3.781 1.00 0.00 H new ATOM 0 HG13 ILE B 53 6.362 -16.127 -2.913 1.00 0.00 H new ATOM 0 HG21 ILE B 53 9.076 -16.676 -2.016 1.00 0.00 H new ATOM 0 HG22 ILE B 53 9.043 -16.001 -0.370 1.00 0.00 H new ATOM 0 HG23 ILE B 53 7.670 -16.965 -0.965 1.00 0.00 H new ATOM 0 HD11 ILE B 53 5.923 -14.598 -4.772 1.00 0.00 H new ATOM 0 HD12 ILE B 53 5.577 -13.799 -3.220 1.00 0.00 H new ATOM 0 HD13 ILE B 53 7.075 -13.420 -4.101 1.00 0.00 H new ATOM 2299 N VAL B 54 8.550 -12.946 0.371 1.00 0.00 N ATOM 2300 CA VAL B 54 9.383 -12.437 1.447 1.00 0.00 C ATOM 2301 C VAL B 54 8.523 -11.958 2.610 1.00 0.00 C ATOM 2302 O VAL B 54 8.846 -12.270 3.749 1.00 0.00 O ATOM 2303 CB VAL B 54 10.356 -11.367 0.929 1.00 0.00 C ATOM 2304 CG1 VAL B 54 11.072 -10.626 2.067 1.00 0.00 C ATOM 2305 CG2 VAL B 54 11.415 -12.068 0.074 1.00 0.00 C ATOM 0 H VAL B 54 8.691 -12.474 -0.522 1.00 0.00 H new ATOM 0 HA VAL B 54 10.002 -13.247 1.833 1.00 0.00 H new ATOM 0 HB VAL B 54 9.783 -10.634 0.361 1.00 0.00 H new ATOM 0 HG11 VAL B 54 11.748 -9.881 1.647 1.00 0.00 H new ATOM 0 HG12 VAL B 54 10.335 -10.132 2.700 1.00 0.00 H new ATOM 0 HG13 VAL B 54 11.642 -11.339 2.663 1.00 0.00 H new ATOM 0 HG21 VAL B 54 12.121 -11.330 -0.308 1.00 0.00 H new ATOM 0 HG22 VAL B 54 11.948 -12.799 0.682 1.00 0.00 H new ATOM 0 HG23 VAL B 54 10.931 -12.574 -0.762 1.00 0.00 H new ATOM 2315 N LYS B 55 7.432 -11.231 2.358 1.00 0.00 N ATOM 2316 CA LYS B 55 6.529 -10.808 3.423 1.00 0.00 C ATOM 2317 C LYS B 55 6.019 -12.018 4.207 1.00 0.00 C ATOM 2318 O LYS B 55 6.113 -12.045 5.435 1.00 0.00 O ATOM 2319 CB LYS B 55 5.382 -9.949 2.861 1.00 0.00 C ATOM 2320 CG LYS B 55 5.361 -8.522 3.430 1.00 0.00 C ATOM 2321 CD LYS B 55 6.409 -7.576 2.829 1.00 0.00 C ATOM 2322 CE LYS B 55 7.843 -7.872 3.281 1.00 0.00 C ATOM 2323 NZ LYS B 55 8.743 -6.750 2.976 1.00 0.00 N ATOM 0 H LYS B 55 7.155 -10.925 1.425 1.00 0.00 H new ATOM 0 HA LYS B 55 7.081 -10.180 4.122 1.00 0.00 H new ATOM 0 HB2 LYS B 55 5.472 -9.899 1.776 1.00 0.00 H new ATOM 0 HB3 LYS B 55 4.431 -10.435 3.080 1.00 0.00 H new ATOM 0 HG2 LYS B 55 4.371 -8.095 3.268 1.00 0.00 H new ATOM 0 HG3 LYS B 55 5.513 -8.573 4.508 1.00 0.00 H new ATOM 0 HD2 LYS B 55 6.361 -7.639 1.742 1.00 0.00 H new ATOM 0 HD3 LYS B 55 6.157 -6.551 3.100 1.00 0.00 H new ATOM 0 HE2 LYS B 55 7.855 -8.069 4.353 1.00 0.00 H new ATOM 0 HE3 LYS B 55 8.203 -8.774 2.787 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 9.699 -7.113 2.787 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 8.394 -6.242 2.138 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 8.774 -6.099 3.787 1.00 0.00 H new ATOM 2337 N LEU B 56 5.498 -13.029 3.506 1.00 0.00 N ATOM 2338 CA LEU B 56 5.006 -14.242 4.143 1.00 0.00 C ATOM 2339 C LEU B 56 6.092 -14.907 4.992 1.00 0.00 C ATOM 2340 O LEU B 56 5.788 -15.384 6.084 1.00 0.00 O ATOM 2341 CB LEU B 56 4.429 -15.213 3.104 1.00 0.00 C ATOM 2342 CG LEU B 56 3.065 -14.765 2.549 1.00 0.00 C ATOM 2343 CD1 LEU B 56 2.749 -15.567 1.281 1.00 0.00 C ATOM 2344 CD2 LEU B 56 1.942 -14.982 3.574 1.00 0.00 C ATOM 0 H LEU B 56 5.408 -13.025 2.490 1.00 0.00 H new ATOM 0 HA LEU B 56 4.197 -13.960 4.817 1.00 0.00 H new ATOM 0 HB2 LEU B 56 5.134 -15.314 2.279 1.00 0.00 H new ATOM 0 HB3 LEU B 56 4.324 -16.199 3.556 1.00 0.00 H new ATOM 0 HG LEU B 56 3.122 -13.700 2.325 1.00 0.00 H new ATOM 0 HD11 LEU B 56 1.784 -15.254 0.883 1.00 0.00 H new ATOM 0 HD12 LEU B 56 3.524 -15.389 0.535 1.00 0.00 H new ATOM 0 HD13 LEU B 56 2.715 -16.630 1.522 1.00 0.00 H new ATOM 0 HD21 LEU B 56 0.993 -14.655 3.149 1.00 0.00 H new ATOM 0 HD22 LEU B 56 1.880 -16.040 3.828 1.00 0.00 H new ATOM 0 HD23 LEU B 56 2.154 -14.405 4.474 1.00 0.00 H new ATOM 2356 N MET B 57 7.345 -14.951 4.522 1.00 0.00 N ATOM 2357 CA MET B 57 8.427 -15.489 5.342 1.00 0.00 C ATOM 2358 C MET B 57 8.672 -14.558 6.542 1.00 0.00 C ATOM 2359 O MET B 57 8.453 -14.930 7.696 1.00 0.00 O ATOM 2360 CB MET B 57 9.720 -15.679 4.528 1.00 0.00 C ATOM 2361 CG MET B 57 9.637 -16.565 3.275 1.00 0.00 C ATOM 2362 SD MET B 57 8.852 -18.196 3.389 1.00 0.00 S ATOM 2363 CE MET B 57 7.185 -17.832 2.788 1.00 0.00 C ATOM 0 H MET B 57 7.627 -14.627 3.597 1.00 0.00 H new ATOM 0 HA MET B 57 8.128 -16.474 5.701 1.00 0.00 H new ATOM 0 HB2 MET B 57 10.075 -14.695 4.223 1.00 0.00 H new ATOM 0 HB3 MET B 57 10.477 -16.100 5.190 1.00 0.00 H new ATOM 0 HG2 MET B 57 9.107 -15.999 2.509 1.00 0.00 H new ATOM 0 HG3 MET B 57 10.654 -16.716 2.913 1.00 0.00 H new ATOM 0 HE1 MET B 57 6.698 -18.758 2.482 1.00 0.00 H new ATOM 0 HE2 MET B 57 6.606 -17.363 3.584 1.00 0.00 H new ATOM 0 HE3 MET B 57 7.245 -17.155 1.936 1.00 0.00 H new ATOM 2373 N ASP B 58 9.120 -13.334 6.242 1.00 0.00 N ATOM 2374 CA ASP B 58 9.483 -12.260 7.160 1.00 0.00 C ATOM 2375 C ASP B 58 8.514 -12.159 8.328 1.00 0.00 C ATOM 2376 O ASP B 58 8.946 -11.991 9.464 1.00 0.00 O ATOM 2377 CB ASP B 58 9.527 -10.925 6.404 1.00 0.00 C ATOM 2378 CG ASP B 58 9.768 -9.740 7.337 1.00 0.00 C ATOM 2379 OD1 ASP B 58 10.795 -9.773 8.046 1.00 0.00 O ATOM 2380 OD2 ASP B 58 8.918 -8.821 7.321 1.00 0.00 O ATOM 0 H ASP B 58 9.247 -13.051 5.270 1.00 0.00 H new ATOM 0 HA ASP B 58 10.468 -12.490 7.567 1.00 0.00 H new ATOM 0 HB2 ASP B 58 10.317 -10.961 5.654 1.00 0.00 H new ATOM 0 HB3 ASP B 58 8.587 -10.780 5.871 1.00 0.00 H new ATOM 2385 N ASP B 59 7.215 -12.291 8.045 1.00 0.00 N ATOM 2386 CA ASP B 59 6.145 -12.289 9.028 1.00 0.00 C ATOM 2387 C ASP B 59 6.540 -13.012 10.317 1.00 0.00 C ATOM 2388 O ASP B 59 6.355 -12.463 11.406 1.00 0.00 O ATOM 2389 CB ASP B 59 4.932 -12.989 8.406 1.00 0.00 C ATOM 2390 CG ASP B 59 3.787 -13.090 9.396 1.00 0.00 C ATOM 2391 OD1 ASP B 59 3.201 -12.025 9.680 1.00 0.00 O ATOM 2392 OD2 ASP B 59 3.532 -14.220 9.864 1.00 0.00 O ATOM 0 H ASP B 59 6.875 -12.406 7.090 1.00 0.00 H new ATOM 0 HA ASP B 59 5.920 -11.256 9.294 1.00 0.00 H new ATOM 0 HB2 ASP B 59 4.605 -12.439 7.523 1.00 0.00 H new ATOM 0 HB3 ASP B 59 5.217 -13.987 8.073 1.00 0.00 H new ATOM 2397 N LEU B 60 7.088 -14.227 10.209 1.00 0.00 N ATOM 2398 CA LEU B 60 7.422 -15.006 11.393 1.00 0.00 C ATOM 2399 C LEU B 60 8.455 -14.279 12.257 1.00 0.00 C ATOM 2400 O LEU B 60 8.308 -14.215 13.476 1.00 0.00 O ATOM 2401 CB LEU B 60 7.813 -16.448 11.020 1.00 0.00 C ATOM 2402 CG LEU B 60 9.196 -16.621 10.365 1.00 0.00 C ATOM 2403 CD1 LEU B 60 10.274 -16.967 11.402 1.00 0.00 C ATOM 2404 CD2 LEU B 60 9.143 -17.751 9.331 1.00 0.00 C ATOM 0 H LEU B 60 7.305 -14.683 9.323 1.00 0.00 H new ATOM 0 HA LEU B 60 6.533 -15.100 12.017 1.00 0.00 H new ATOM 0 HB2 LEU B 60 7.781 -17.058 11.923 1.00 0.00 H new ATOM 0 HB3 LEU B 60 7.058 -16.845 10.341 1.00 0.00 H new ATOM 0 HG LEU B 60 9.453 -15.674 9.890 1.00 0.00 H new ATOM 0 HD11 LEU B 60 11.236 -17.081 10.902 1.00 0.00 H new ATOM 0 HD12 LEU B 60 10.341 -16.166 12.139 1.00 0.00 H new ATOM 0 HD13 LEU B 60 10.012 -17.899 11.902 1.00 0.00 H new ATOM 0 HD21 LEU B 60 10.124 -17.869 8.871 1.00 0.00 H new ATOM 0 HD22 LEU B 60 8.859 -18.681 9.823 1.00 0.00 H new ATOM 0 HD23 LEU B 60 8.409 -17.507 8.563 1.00 0.00 H new ATOM 2416 N ASP B 61 9.478 -13.693 11.627 1.00 0.00 N ATOM 2417 CA ASP B 61 10.541 -12.983 12.324 1.00 0.00 C ATOM 2418 C ASP B 61 10.035 -11.638 12.837 1.00 0.00 C ATOM 2419 O ASP B 61 10.406 -11.210 13.924 1.00 0.00 O ATOM 2420 CB ASP B 61 11.745 -12.790 11.397 1.00 0.00 C ATOM 2421 CG ASP B 61 12.858 -12.033 12.115 1.00 0.00 C ATOM 2422 OD1 ASP B 61 13.470 -12.644 13.017 1.00 0.00 O ATOM 2423 OD2 ASP B 61 13.068 -10.854 11.756 1.00 0.00 O ATOM 0 H ASP B 61 9.587 -13.701 10.613 1.00 0.00 H new ATOM 0 HA ASP B 61 10.857 -13.579 13.181 1.00 0.00 H new ATOM 0 HB2 ASP B 61 12.114 -13.760 11.064 1.00 0.00 H new ATOM 0 HB3 ASP B 61 11.441 -12.241 10.506 1.00 0.00 H new ATOM 2428 N ARG B 62 9.196 -10.965 12.050 1.00 0.00 N ATOM 2429 CA ARG B 62 8.598 -9.696 12.427 1.00 0.00 C ATOM 2430 C ARG B 62 7.779 -9.865 13.708 1.00 0.00 C ATOM 2431 O ARG B 62 7.889 -9.065 14.633 1.00 0.00 O ATOM 2432 CB ARG B 62 7.743 -9.175 11.261 1.00 0.00 C ATOM 2433 CG ARG B 62 7.211 -7.766 11.551 1.00 0.00 C ATOM 2434 CD ARG B 62 6.331 -7.215 10.425 1.00 0.00 C ATOM 2435 NE ARG B 62 7.063 -7.141 9.151 1.00 0.00 N ATOM 2436 CZ ARG B 62 6.963 -6.178 8.223 1.00 0.00 C ATOM 2437 NH1 ARG B 62 6.159 -5.121 8.389 1.00 0.00 N ATOM 2438 NH2 ARG B 62 7.678 -6.303 7.102 1.00 0.00 N ATOM 0 H ARG B 62 8.913 -11.293 11.126 1.00 0.00 H new ATOM 0 HA ARG B 62 9.374 -8.959 12.633 1.00 0.00 H new ATOM 0 HB2 ARG B 62 8.338 -9.161 10.348 1.00 0.00 H new ATOM 0 HB3 ARG B 62 6.908 -9.854 11.087 1.00 0.00 H new ATOM 0 HG2 ARG B 62 6.637 -7.784 12.477 1.00 0.00 H new ATOM 0 HG3 ARG B 62 8.052 -7.092 11.710 1.00 0.00 H new ATOM 0 HD2 ARG B 62 5.454 -7.850 10.304 1.00 0.00 H new ATOM 0 HD3 ARG B 62 5.971 -6.223 10.696 1.00 0.00 H new ATOM 0 HE ARG B 62 7.714 -7.901 8.953 1.00 0.00 H new ATOM 0 HH11 ARG B 62 5.602 -5.033 9.239 1.00 0.00 H new ATOM 0 HH12 ARG B 62 6.103 -4.404 7.666 1.00 0.00 H new ATOM 0 HH21 ARG B 62 8.280 -7.115 6.969 1.00 0.00 H new ATOM 0 HH22 ARG B 62 7.622 -5.586 6.379 1.00 0.00 H new ATOM 2452 N ASN B 63 6.935 -10.900 13.749 1.00 0.00 N ATOM 2453 CA ASN B 63 6.029 -11.119 14.869 1.00 0.00 C ATOM 2454 C ASN B 63 6.751 -11.764 16.046 1.00 0.00 C ATOM 2455 O ASN B 63 6.574 -11.340 17.185 1.00 0.00 O ATOM 2456 CB ASN B 63 4.880 -12.049 14.469 1.00 0.00 C ATOM 2457 CG ASN B 63 3.814 -11.388 13.604 1.00 0.00 C ATOM 2458 OD1 ASN B 63 2.675 -11.223 14.031 1.00 0.00 O ATOM 2459 ND2 ASN B 63 4.145 -11.085 12.355 1.00 0.00 N ATOM 0 H ASN B 63 6.864 -11.601 13.012 1.00 0.00 H new ATOM 0 HA ASN B 63 5.645 -10.140 15.155 1.00 0.00 H new ATOM 0 HB2 ASN B 63 5.290 -12.904 13.931 1.00 0.00 H new ATOM 0 HB3 ASN B 63 4.410 -12.437 15.373 1.00 0.00 H new ATOM 0 HD21 ASN B 63 3.444 -10.703 11.720 1.00 0.00 H new ATOM 0 HD22 ASN B 63 5.100 -11.234 12.030 1.00 0.00 H new ATOM 2517 N GLU B 67 1.985 -9.481 18.662 1.00 0.00 N ATOM 2518 CA GLU B 67 1.069 -8.929 17.681 1.00 0.00 C ATOM 2519 C GLU B 67 1.701 -7.666 17.083 1.00 0.00 C ATOM 2520 O GLU B 67 2.226 -6.838 17.826 1.00 0.00 O ATOM 2521 CB GLU B 67 -0.277 -8.596 18.345 1.00 0.00 C ATOM 2522 CG GLU B 67 -1.001 -9.782 19.003 1.00 0.00 C ATOM 2523 CD GLU B 67 -0.376 -10.281 20.306 1.00 0.00 C ATOM 2524 OE1 GLU B 67 0.403 -9.512 20.913 1.00 0.00 O ATOM 2525 OE2 GLU B 67 -0.683 -11.438 20.666 1.00 0.00 O ATOM 0 HA GLU B 67 0.884 -9.656 16.890 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -0.109 -7.830 19.102 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -0.936 -8.162 17.593 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -2.033 -9.493 19.201 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -1.031 -10.608 18.293 1.00 0.00 H new ATOM 2532 N VAL B 68 1.635 -7.494 15.760 1.00 0.00 N ATOM 2533 CA VAL B 68 2.041 -6.249 15.120 1.00 0.00 C ATOM 2534 C VAL B 68 0.895 -5.248 15.270 1.00 0.00 C ATOM 2535 O VAL B 68 -0.269 -5.653 15.244 1.00 0.00 O ATOM 2536 CB VAL B 68 2.432 -6.476 13.646 1.00 0.00 C ATOM 2537 CG1 VAL B 68 3.472 -7.592 13.504 1.00 0.00 C ATOM 2538 CG2 VAL B 68 1.241 -6.753 12.725 1.00 0.00 C ATOM 0 H VAL B 68 1.302 -8.208 15.112 1.00 0.00 H new ATOM 0 HA VAL B 68 2.933 -5.850 15.602 1.00 0.00 H new ATOM 0 HB VAL B 68 2.869 -5.532 13.322 1.00 0.00 H new ATOM 0 HG11 VAL B 68 3.723 -7.724 12.452 1.00 0.00 H new ATOM 0 HG12 VAL B 68 4.370 -7.325 14.061 1.00 0.00 H new ATOM 0 HG13 VAL B 68 3.063 -8.522 13.899 1.00 0.00 H new ATOM 0 HG21 VAL B 68 1.596 -6.902 11.705 1.00 0.00 H new ATOM 0 HG22 VAL B 68 0.721 -7.649 13.063 1.00 0.00 H new ATOM 0 HG23 VAL B 68 0.557 -5.905 12.750 1.00 0.00 H new ATOM 2548 N ASN B 69 1.207 -3.957 15.435 1.00 0.00 N ATOM 2549 CA ASN B 69 0.190 -2.912 15.508 1.00 0.00 C ATOM 2550 C ASN B 69 -0.254 -2.475 14.113 1.00 0.00 C ATOM 2551 O ASN B 69 0.367 -2.845 13.117 1.00 0.00 O ATOM 2552 CB ASN B 69 0.654 -1.718 16.359 1.00 0.00 C ATOM 2553 CG ASN B 69 1.225 -0.570 15.526 1.00 0.00 C ATOM 2554 OD1 ASN B 69 2.160 -0.763 14.755 1.00 0.00 O ATOM 2555 ND2 ASN B 69 0.654 0.628 15.633 1.00 0.00 N ATOM 0 H ASN B 69 2.164 -3.614 15.521 1.00 0.00 H new ATOM 0 HA ASN B 69 -0.678 -3.337 16.011 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -0.188 -1.349 16.945 1.00 0.00 H new ATOM 0 HB3 ASN B 69 1.411 -2.057 17.066 1.00 0.00 H new ATOM 0 HD21 ASN B 69 0.993 1.407 15.068 1.00 0.00 H new ATOM 0 HD22 ASN B 69 -0.122 0.767 16.280 1.00 0.00 H new ATOM 2562 N PHE B 70 -1.296 -1.639 14.060 1.00 0.00 N ATOM 2563 CA PHE B 70 -1.760 -0.986 12.844 1.00 0.00 C ATOM 2564 C PHE B 70 -0.599 -0.495 11.973 1.00 0.00 C ATOM 2565 O PHE B 70 -0.441 -0.962 10.850 1.00 0.00 O ATOM 2566 CB PHE B 70 -2.730 0.147 13.201 1.00 0.00 C ATOM 2567 CG PHE B 70 -3.243 0.938 12.012 1.00 0.00 C ATOM 2568 CD1 PHE B 70 -4.006 0.294 11.019 1.00 0.00 C ATOM 2569 CD2 PHE B 70 -2.986 2.318 11.908 1.00 0.00 C ATOM 2570 CE1 PHE B 70 -4.515 1.026 9.934 1.00 0.00 C ATOM 2571 CE2 PHE B 70 -3.493 3.050 10.820 1.00 0.00 C ATOM 2572 CZ PHE B 70 -4.255 2.403 9.831 1.00 0.00 C ATOM 0 H PHE B 70 -1.848 -1.396 14.882 1.00 0.00 H new ATOM 0 HA PHE B 70 -2.294 -1.721 12.243 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.582 -0.276 13.734 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -2.232 0.831 13.888 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -4.200 -0.766 11.092 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -2.398 2.815 12.665 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -5.107 0.530 9.178 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -3.297 4.109 10.744 1.00 0.00 H new ATOM 0 HZ PHE B 70 -4.640 2.964 8.993 1.00 0.00 H new ATOM 2582 N GLN B 71 0.240 0.419 12.467 1.00 0.00 N ATOM 2583 CA GLN B 71 1.302 0.981 11.637 1.00 0.00 C ATOM 2584 C GLN B 71 2.269 -0.100 11.141 1.00 0.00 C ATOM 2585 O GLN B 71 2.737 -0.027 10.008 1.00 0.00 O ATOM 2586 CB GLN B 71 2.042 2.117 12.352 1.00 0.00 C ATOM 2587 CG GLN B 71 2.835 2.997 11.367 1.00 0.00 C ATOM 2588 CD GLN B 71 1.917 3.859 10.506 1.00 0.00 C ATOM 2589 OE1 GLN B 71 1.322 4.813 10.995 1.00 0.00 O ATOM 2590 NE2 GLN B 71 1.801 3.543 9.219 1.00 0.00 N ATOM 0 H GLN B 71 0.205 0.779 13.421 1.00 0.00 H new ATOM 0 HA GLN B 71 0.824 1.412 10.757 1.00 0.00 H new ATOM 0 HB2 GLN B 71 1.324 2.734 12.893 1.00 0.00 H new ATOM 0 HB3 GLN B 71 2.723 1.697 13.092 1.00 0.00 H new ATOM 0 HG2 GLN B 71 3.519 3.639 11.923 1.00 0.00 H new ATOM 0 HG3 GLN B 71 3.445 2.363 10.724 1.00 0.00 H new ATOM 0 HE21 GLN B 71 2.309 2.743 8.842 1.00 0.00 H new ATOM 0 HE22 GLN B 71 1.204 4.101 8.609 1.00 0.00 H new ATOM 2599 N GLU B 72 2.579 -1.111 11.955 1.00 0.00 N ATOM 2600 CA GLU B 72 3.404 -2.225 11.509 1.00 0.00 C ATOM 2601 C GLU B 72 2.707 -3.035 10.407 1.00 0.00 C ATOM 2602 O GLU B 72 3.348 -3.415 9.427 1.00 0.00 O ATOM 2603 CB GLU B 72 3.805 -3.101 12.698 1.00 0.00 C ATOM 2604 CG GLU B 72 4.852 -2.422 13.594 1.00 0.00 C ATOM 2605 CD GLU B 72 6.189 -2.245 12.880 1.00 0.00 C ATOM 2606 OE1 GLU B 72 6.724 -3.276 12.418 1.00 0.00 O ATOM 2607 OE2 GLU B 72 6.640 -1.083 12.793 1.00 0.00 O ATOM 0 H GLU B 72 2.269 -1.177 12.925 1.00 0.00 H new ATOM 0 HA GLU B 72 4.316 -1.822 11.070 1.00 0.00 H new ATOM 0 HB2 GLU B 72 2.920 -3.334 13.290 1.00 0.00 H new ATOM 0 HB3 GLU B 72 4.202 -4.048 12.332 1.00 0.00 H new ATOM 0 HG2 GLU B 72 4.480 -1.448 13.912 1.00 0.00 H new ATOM 0 HG3 GLU B 72 4.999 -3.017 14.495 1.00 0.00 H new ATOM 2614 N TYR B 73 1.398 -3.276 10.523 1.00 0.00 N ATOM 2615 CA TYR B 73 0.611 -3.858 9.436 1.00 0.00 C ATOM 2616 C TYR B 73 0.748 -2.990 8.179 1.00 0.00 C ATOM 2617 O TYR B 73 1.064 -3.489 7.099 1.00 0.00 O ATOM 2618 CB TYR B 73 -0.857 -4.042 9.866 1.00 0.00 C ATOM 2619 CG TYR B 73 -1.900 -3.807 8.783 1.00 0.00 C ATOM 2620 CD1 TYR B 73 -2.248 -4.836 7.888 1.00 0.00 C ATOM 2621 CD2 TYR B 73 -2.558 -2.564 8.701 1.00 0.00 C ATOM 2622 CE1 TYR B 73 -3.287 -4.637 6.959 1.00 0.00 C ATOM 2623 CE2 TYR B 73 -3.565 -2.355 7.744 1.00 0.00 C ATOM 2624 CZ TYR B 73 -3.961 -3.405 6.903 1.00 0.00 C ATOM 2625 OH TYR B 73 -5.025 -3.246 6.065 1.00 0.00 O ATOM 0 H TYR B 73 0.859 -3.075 11.366 1.00 0.00 H new ATOM 0 HA TYR B 73 0.994 -4.850 9.198 1.00 0.00 H new ATOM 0 HB2 TYR B 73 -0.979 -5.056 10.248 1.00 0.00 H new ATOM 0 HB3 TYR B 73 -1.061 -3.363 10.694 1.00 0.00 H new ATOM 0 HD1 TYR B 73 -1.719 -5.777 7.914 1.00 0.00 H new ATOM 0 HD2 TYR B 73 -2.287 -1.767 9.378 1.00 0.00 H new ATOM 0 HE1 TYR B 73 -3.567 -5.434 6.287 1.00 0.00 H new ATOM 0 HE2 TYR B 73 -4.034 -1.386 7.656 1.00 0.00 H new ATOM 0 HH TYR B 73 -5.594 -2.518 6.393 1.00 0.00 H new ATOM 2635 N ILE B 74 0.547 -1.678 8.321 1.00 0.00 N ATOM 2636 CA ILE B 74 0.734 -0.743 7.224 1.00 0.00 C ATOM 2637 C ILE B 74 2.155 -0.873 6.667 1.00 0.00 C ATOM 2638 O ILE B 74 2.341 -0.810 5.458 1.00 0.00 O ATOM 2639 CB ILE B 74 0.437 0.701 7.664 1.00 0.00 C ATOM 2640 CG1 ILE B 74 -1.005 0.942 8.153 1.00 0.00 C ATOM 2641 CG2 ILE B 74 0.743 1.657 6.519 1.00 0.00 C ATOM 2642 CD1 ILE B 74 -2.064 0.861 7.048 1.00 0.00 C ATOM 0 H ILE B 74 0.252 -1.242 9.195 1.00 0.00 H new ATOM 0 HA ILE B 74 0.026 -0.989 6.433 1.00 0.00 H new ATOM 0 HB ILE B 74 1.082 0.885 8.523 1.00 0.00 H new ATOM 0 HG12 ILE B 74 -1.243 0.209 8.923 1.00 0.00 H new ATOM 0 HG13 ILE B 74 -1.059 1.925 8.621 1.00 0.00 H new ATOM 0 HG21 ILE B 74 0.532 2.679 6.832 1.00 0.00 H new ATOM 0 HG22 ILE B 74 1.794 1.571 6.245 1.00 0.00 H new ATOM 0 HG23 ILE B 74 0.122 1.406 5.659 1.00 0.00 H new ATOM 0 HD11 ILE B 74 -3.050 1.042 7.475 1.00 0.00 H new ATOM 0 HD12 ILE B 74 -1.854 1.613 6.287 1.00 0.00 H new ATOM 0 HD13 ILE B 74 -2.042 -0.130 6.594 1.00 0.00 H new ATOM 2654 N THR B 75 3.161 -1.054 7.522 1.00 0.00 N ATOM 2655 CA THR B 75 4.539 -1.254 7.091 1.00 0.00 C ATOM 2656 C THR B 75 4.681 -2.574 6.330 1.00 0.00 C ATOM 2657 O THR B 75 5.443 -2.647 5.372 1.00 0.00 O ATOM 2658 CB THR B 75 5.501 -1.142 8.283 1.00 0.00 C ATOM 2659 OG1 THR B 75 5.290 0.095 8.933 1.00 0.00 O ATOM 2660 CG2 THR B 75 6.967 -1.196 7.843 1.00 0.00 C ATOM 0 H THR B 75 3.040 -1.066 8.535 1.00 0.00 H new ATOM 0 HA THR B 75 4.814 -0.462 6.394 1.00 0.00 H new ATOM 0 HB THR B 75 5.302 -1.984 8.946 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.421 0.082 9.386 1.00 0.00 H new ATOM 0 HG21 THR B 75 7.613 -1.113 8.717 1.00 0.00 H new ATOM 0 HG22 THR B 75 7.160 -2.142 7.337 1.00 0.00 H new ATOM 0 HG23 THR B 75 7.173 -0.371 7.161 1.00 0.00 H new ATOM 2668 N PHE B 76 3.949 -3.619 6.722 1.00 0.00 N ATOM 2669 CA PHE B 76 3.883 -4.864 5.963 1.00 0.00 C ATOM 2670 C PHE B 76 3.426 -4.553 4.534 1.00 0.00 C ATOM 2671 O PHE B 76 4.134 -4.845 3.570 1.00 0.00 O ATOM 2672 CB PHE B 76 2.960 -5.869 6.677 1.00 0.00 C ATOM 2673 CG PHE B 76 3.198 -7.327 6.337 1.00 0.00 C ATOM 2674 CD1 PHE B 76 4.118 -8.075 7.096 1.00 0.00 C ATOM 2675 CD2 PHE B 76 2.409 -7.974 5.366 1.00 0.00 C ATOM 2676 CE1 PHE B 76 4.262 -9.454 6.876 1.00 0.00 C ATOM 2677 CE2 PHE B 76 2.540 -9.359 5.163 1.00 0.00 C ATOM 2678 CZ PHE B 76 3.459 -10.101 5.924 1.00 0.00 C ATOM 0 H PHE B 76 3.387 -3.623 7.573 1.00 0.00 H new ATOM 0 HA PHE B 76 4.867 -5.330 5.904 1.00 0.00 H new ATOM 0 HB2 PHE B 76 3.076 -5.741 7.753 1.00 0.00 H new ATOM 0 HB3 PHE B 76 1.926 -5.622 6.436 1.00 0.00 H new ATOM 0 HD1 PHE B 76 4.716 -7.586 7.851 1.00 0.00 H new ATOM 0 HD2 PHE B 76 1.704 -7.406 4.778 1.00 0.00 H new ATOM 0 HE1 PHE B 76 4.991 -10.017 7.440 1.00 0.00 H new ATOM 0 HE2 PHE B 76 1.932 -9.854 4.420 1.00 0.00 H new ATOM 0 HZ PHE B 76 3.547 -11.167 5.777 1.00 0.00 H new ATOM 2688 N LEU B 77 2.263 -3.904 4.401 1.00 0.00 N ATOM 2689 CA LEU B 77 1.718 -3.527 3.098 1.00 0.00 C ATOM 2690 C LEU B 77 2.647 -2.569 2.341 1.00 0.00 C ATOM 2691 O LEU B 77 2.800 -2.672 1.127 1.00 0.00 O ATOM 2692 CB LEU B 77 0.330 -2.890 3.251 1.00 0.00 C ATOM 2693 CG LEU B 77 -0.732 -3.792 3.902 1.00 0.00 C ATOM 2694 CD1 LEU B 77 -2.069 -3.044 3.877 1.00 0.00 C ATOM 2695 CD2 LEU B 77 -0.890 -5.136 3.178 1.00 0.00 C ATOM 0 H LEU B 77 1.679 -3.628 5.190 1.00 0.00 H new ATOM 0 HA LEU B 77 1.631 -4.444 2.514 1.00 0.00 H new ATOM 0 HB2 LEU B 77 0.427 -1.982 3.846 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -0.026 -2.589 2.266 1.00 0.00 H new ATOM 0 HG LEU B 77 -0.414 -4.014 4.920 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -2.841 -3.663 4.334 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -1.975 -2.112 4.434 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -2.344 -2.824 2.845 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -1.652 -5.732 3.680 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -1.189 -4.960 2.145 1.00 0.00 H new ATOM 0 HD23 LEU B 77 0.059 -5.672 3.194 1.00 0.00 H new ATOM 2707 N GLY B 78 3.251 -1.615 3.042 1.00 0.00 N ATOM 2708 CA GLY B 78 4.091 -0.590 2.452 1.00 0.00 C ATOM 2709 C GLY B 78 5.387 -1.195 1.922 1.00 0.00 C ATOM 2710 O GLY B 78 5.791 -0.913 0.798 1.00 0.00 O ATOM 0 H GLY B 78 3.166 -1.535 4.055 1.00 0.00 H new ATOM 0 HA2 GLY B 78 3.556 -0.096 1.641 1.00 0.00 H new ATOM 0 HA3 GLY B 78 4.318 0.174 3.196 1.00 0.00 H new ATOM 2714 N ALA B 79 6.029 -2.057 2.710 1.00 0.00 N ATOM 2715 CA ALA B 79 7.224 -2.766 2.287 1.00 0.00 C ATOM 2716 C ALA B 79 6.889 -3.721 1.139 1.00 0.00 C ATOM 2717 O ALA B 79 7.617 -3.775 0.153 1.00 0.00 O ATOM 2718 CB ALA B 79 7.840 -3.492 3.482 1.00 0.00 C ATOM 0 H ALA B 79 5.730 -2.280 3.660 1.00 0.00 H new ATOM 0 HA ALA B 79 7.964 -2.058 1.913 1.00 0.00 H new ATOM 0 HB1 ALA B 79 8.736 -4.023 3.162 1.00 0.00 H new ATOM 0 HB2 ALA B 79 8.103 -2.767 4.252 1.00 0.00 H new ATOM 0 HB3 ALA B 79 7.120 -4.204 3.885 1.00 0.00 H new ATOM 2724 N LEU B 80 5.776 -4.456 1.241 1.00 0.00 N ATOM 2725 CA LEU B 80 5.266 -5.282 0.150 1.00 0.00 C ATOM 2726 C LEU B 80 5.182 -4.453 -1.139 1.00 0.00 C ATOM 2727 O LEU B 80 5.796 -4.786 -2.160 1.00 0.00 O ATOM 2728 CB LEU B 80 3.889 -5.826 0.566 1.00 0.00 C ATOM 2729 CG LEU B 80 3.213 -6.705 -0.491 1.00 0.00 C ATOM 2730 CD1 LEU B 80 3.752 -8.125 -0.402 1.00 0.00 C ATOM 2731 CD2 LEU B 80 1.704 -6.749 -0.254 1.00 0.00 C ATOM 0 H LEU B 80 5.205 -4.492 2.086 1.00 0.00 H new ATOM 0 HA LEU B 80 5.935 -6.119 -0.048 1.00 0.00 H new ATOM 0 HB2 LEU B 80 4.002 -6.403 1.484 1.00 0.00 H new ATOM 0 HB3 LEU B 80 3.234 -4.986 0.796 1.00 0.00 H new ATOM 0 HG LEU B 80 3.422 -6.283 -1.474 1.00 0.00 H new ATOM 0 HD11 LEU B 80 3.268 -8.746 -1.156 1.00 0.00 H new ATOM 0 HD12 LEU B 80 4.828 -8.117 -0.575 1.00 0.00 H new ATOM 0 HD13 LEU B 80 3.547 -8.531 0.589 1.00 0.00 H new ATOM 0 HD21 LEU B 80 1.235 -7.377 -1.012 1.00 0.00 H new ATOM 0 HD22 LEU B 80 1.503 -7.162 0.735 1.00 0.00 H new ATOM 0 HD23 LEU B 80 1.296 -5.740 -0.316 1.00 0.00 H new ATOM 2743 N ALA B 81 4.425 -3.354 -1.062 1.00 0.00 N ATOM 2744 CA ALA B 81 4.259 -2.397 -2.136 1.00 0.00 C ATOM 2745 C ALA B 81 5.613 -1.974 -2.688 1.00 0.00 C ATOM 2746 O ALA B 81 5.809 -2.022 -3.899 1.00 0.00 O ATOM 2747 CB ALA B 81 3.455 -1.187 -1.653 1.00 0.00 C ATOM 0 H ALA B 81 3.900 -3.108 -0.223 1.00 0.00 H new ATOM 0 HA ALA B 81 3.702 -2.871 -2.944 1.00 0.00 H new ATOM 0 HB1 ALA B 81 3.339 -0.477 -2.472 1.00 0.00 H new ATOM 0 HB2 ALA B 81 2.472 -1.515 -1.315 1.00 0.00 H new ATOM 0 HB3 ALA B 81 3.981 -0.707 -0.828 1.00 0.00 H new ATOM 2753 N MET B 82 6.530 -1.566 -1.810 1.00 0.00 N ATOM 2754 CA MET B 82 7.854 -1.104 -2.184 1.00 0.00 C ATOM 2755 C MET B 82 8.614 -2.179 -2.959 1.00 0.00 C ATOM 2756 O MET B 82 9.215 -1.882 -3.989 1.00 0.00 O ATOM 2757 CB MET B 82 8.615 -0.639 -0.935 1.00 0.00 C ATOM 2758 CG MET B 82 9.940 0.046 -1.294 1.00 0.00 C ATOM 2759 SD MET B 82 10.980 0.538 0.106 1.00 0.00 S ATOM 2760 CE MET B 82 9.884 1.694 0.953 1.00 0.00 C ATOM 0 H MET B 82 6.364 -1.550 -0.804 1.00 0.00 H new ATOM 0 HA MET B 82 7.758 -0.250 -2.854 1.00 0.00 H new ATOM 0 HB2 MET B 82 7.992 0.051 -0.366 1.00 0.00 H new ATOM 0 HB3 MET B 82 8.812 -1.495 -0.290 1.00 0.00 H new ATOM 0 HG2 MET B 82 10.515 -0.628 -1.930 1.00 0.00 H new ATOM 0 HG3 MET B 82 9.719 0.933 -1.887 1.00 0.00 H new ATOM 0 HE1 MET B 82 10.439 2.217 1.732 1.00 0.00 H new ATOM 0 HE2 MET B 82 9.495 2.418 0.237 1.00 0.00 H new ATOM 0 HE3 MET B 82 9.055 1.147 1.403 1.00 0.00 H new ATOM 2770 N ILE B 83 8.621 -3.420 -2.460 1.00 0.00 N ATOM 2771 CA ILE B 83 9.381 -4.475 -3.108 1.00 0.00 C ATOM 2772 C ILE B 83 8.815 -4.762 -4.500 1.00 0.00 C ATOM 2773 O ILE B 83 9.597 -4.778 -5.454 1.00 0.00 O ATOM 2774 CB ILE B 83 9.541 -5.735 -2.236 1.00 0.00 C ATOM 2775 CG1 ILE B 83 10.336 -5.428 -0.956 1.00 0.00 C ATOM 2776 CG2 ILE B 83 10.306 -6.813 -3.026 1.00 0.00 C ATOM 2777 CD1 ILE B 83 10.367 -6.637 -0.012 1.00 0.00 C ATOM 0 H ILE B 83 8.115 -3.708 -1.622 1.00 0.00 H new ATOM 0 HA ILE B 83 10.401 -4.114 -3.240 1.00 0.00 H new ATOM 0 HB ILE B 83 8.544 -6.083 -1.966 1.00 0.00 H new ATOM 0 HG12 ILE B 83 11.355 -5.143 -1.218 1.00 0.00 H new ATOM 0 HG13 ILE B 83 9.889 -4.576 -0.444 1.00 0.00 H new ATOM 0 HG21 ILE B 83 10.419 -7.704 -2.409 1.00 0.00 H new ATOM 0 HG22 ILE B 83 9.750 -7.065 -3.929 1.00 0.00 H new ATOM 0 HG23 ILE B 83 11.291 -6.434 -3.300 1.00 0.00 H new ATOM 0 HD11 ILE B 83 10.937 -6.386 0.883 1.00 0.00 H new ATOM 0 HD12 ILE B 83 9.349 -6.905 0.270 1.00 0.00 H new ATOM 0 HD13 ILE B 83 10.838 -7.481 -0.517 1.00 0.00 H new ATOM 2789 N TYR B 84 7.505 -5.024 -4.648 1.00 0.00 N ATOM 2790 CA TYR B 84 7.006 -5.368 -5.984 1.00 0.00 C ATOM 2791 C TYR B 84 6.874 -4.154 -6.914 1.00 0.00 C ATOM 2792 O TYR B 84 7.260 -4.241 -8.079 1.00 0.00 O ATOM 2793 CB TYR B 84 5.880 -6.423 -6.040 1.00 0.00 C ATOM 2794 CG TYR B 84 4.633 -6.333 -5.177 1.00 0.00 C ATOM 2795 CD1 TYR B 84 4.004 -5.105 -4.901 1.00 0.00 C ATOM 2796 CD2 TYR B 84 3.951 -7.532 -4.886 1.00 0.00 C ATOM 2797 CE1 TYR B 84 2.721 -5.083 -4.323 1.00 0.00 C ATOM 2798 CE2 TYR B 84 2.695 -7.513 -4.262 1.00 0.00 C ATOM 2799 CZ TYR B 84 2.070 -6.284 -3.996 1.00 0.00 C ATOM 2800 OH TYR B 84 0.828 -6.250 -3.438 1.00 0.00 O ATOM 0 H TYR B 84 6.808 -5.006 -3.903 1.00 0.00 H new ATOM 0 HA TYR B 84 7.810 -5.947 -6.438 1.00 0.00 H new ATOM 0 HB2 TYR B 84 5.541 -6.462 -7.075 1.00 0.00 H new ATOM 0 HB3 TYR B 84 6.343 -7.385 -5.820 1.00 0.00 H new ATOM 0 HD1 TYR B 84 4.507 -4.178 -5.133 1.00 0.00 H new ATOM 0 HD2 TYR B 84 4.402 -8.478 -5.147 1.00 0.00 H new ATOM 0 HE1 TYR B 84 2.235 -4.138 -4.130 1.00 0.00 H new ATOM 0 HE2 TYR B 84 2.211 -8.439 -3.988 1.00 0.00 H new ATOM 0 HH TYR B 84 0.518 -7.165 -3.274 1.00 0.00 H new ATOM 2810 N ASN B 85 6.434 -2.992 -6.421 1.00 0.00 N ATOM 2811 CA ASN B 85 6.495 -1.755 -7.202 1.00 0.00 C ATOM 2812 C ASN B 85 7.906 -1.192 -7.070 1.00 0.00 C ATOM 2813 O ASN B 85 8.102 -0.133 -6.476 1.00 0.00 O ATOM 2814 CB ASN B 85 5.458 -0.709 -6.762 1.00 0.00 C ATOM 2815 CG ASN B 85 4.028 -1.225 -6.776 1.00 0.00 C ATOM 2816 OD1 ASN B 85 3.327 -1.137 -7.777 1.00 0.00 O ATOM 2817 ND2 ASN B 85 3.581 -1.741 -5.638 1.00 0.00 N ATOM 0 H ASN B 85 6.034 -2.883 -5.489 1.00 0.00 H new ATOM 0 HA ASN B 85 6.256 -1.989 -8.239 1.00 0.00 H new ATOM 0 HB2 ASN B 85 5.702 -0.368 -5.756 1.00 0.00 H new ATOM 0 HB3 ASN B 85 5.529 0.159 -7.418 1.00 0.00 H new ATOM 0 HD21 ASN B 85 2.622 -2.082 -5.575 1.00 0.00 H new ATOM 0 HD22 ASN B 85 4.197 -1.796 -4.827 1.00 0.00 H new ATOM 2824 N GLU B 86 8.877 -1.918 -7.635 1.00 0.00 N ATOM 2825 CA GLU B 86 10.308 -1.639 -7.557 1.00 0.00 C ATOM 2826 C GLU B 86 10.656 -0.145 -7.655 1.00 0.00 C ATOM 2827 O GLU B 86 11.545 0.320 -6.946 1.00 0.00 O ATOM 2828 CB GLU B 86 11.088 -2.514 -8.557 1.00 0.00 C ATOM 2829 CG GLU B 86 10.404 -2.784 -9.911 1.00 0.00 C ATOM 2830 CD GLU B 86 10.091 -1.514 -10.693 1.00 0.00 C ATOM 2831 OE1 GLU B 86 11.001 -1.046 -11.408 1.00 0.00 O ATOM 2832 OE2 GLU B 86 8.952 -1.017 -10.536 1.00 0.00 O ATOM 0 H GLU B 86 8.673 -2.754 -8.183 1.00 0.00 H new ATOM 0 HA GLU B 86 10.632 -1.918 -6.554 1.00 0.00 H new ATOM 0 HB2 GLU B 86 12.050 -2.038 -8.749 1.00 0.00 H new ATOM 0 HB3 GLU B 86 11.296 -3.473 -8.082 1.00 0.00 H new ATOM 0 HG2 GLU B 86 11.048 -3.424 -10.514 1.00 0.00 H new ATOM 0 HG3 GLU B 86 9.479 -3.334 -9.739 1.00 0.00 H new ATOM 2839 N ALA B 87 9.938 0.604 -8.497 1.00 0.00 N ATOM 2840 CA ALA B 87 9.963 2.059 -8.584 1.00 0.00 C ATOM 2841 C ALA B 87 10.185 2.725 -7.220 1.00 0.00 C ATOM 2842 O ALA B 87 11.104 3.525 -7.046 1.00 0.00 O ATOM 2843 CB ALA B 87 8.627 2.519 -9.179 1.00 0.00 C ATOM 0 H ALA B 87 9.293 0.187 -9.168 1.00 0.00 H new ATOM 0 HA ALA B 87 10.800 2.356 -9.215 1.00 0.00 H new ATOM 0 HB1 ALA B 87 8.618 3.606 -9.256 1.00 0.00 H new ATOM 0 HB2 ALA B 87 8.501 2.084 -10.171 1.00 0.00 H new ATOM 0 HB3 ALA B 87 7.810 2.194 -8.534 1.00 0.00 H new ATOM 2849 N LEU B 88 9.345 2.376 -6.243 1.00 0.00 N ATOM 2850 CA LEU B 88 9.330 2.998 -4.927 1.00 0.00 C ATOM 2851 C LEU B 88 10.629 2.786 -4.149 1.00 0.00 C ATOM 2852 O LEU B 88 10.839 3.470 -3.156 1.00 0.00 O ATOM 2853 CB LEU B 88 8.151 2.459 -4.111 1.00 0.00 C ATOM 2854 CG LEU B 88 6.768 2.882 -4.630 1.00 0.00 C ATOM 2855 CD1 LEU B 88 5.700 2.095 -3.866 1.00 0.00 C ATOM 2856 CD2 LEU B 88 6.514 4.380 -4.419 1.00 0.00 C ATOM 0 H LEU B 88 8.647 1.641 -6.351 1.00 0.00 H new ATOM 0 HA LEU B 88 9.225 4.071 -5.088 1.00 0.00 H new ATOM 0 HB2 LEU B 88 8.202 1.370 -4.098 1.00 0.00 H new ATOM 0 HB3 LEU B 88 8.256 2.795 -3.079 1.00 0.00 H new ATOM 0 HG LEU B 88 6.728 2.676 -5.700 1.00 0.00 H new ATOM 0 HD11 LEU B 88 4.711 2.383 -4.222 1.00 0.00 H new ATOM 0 HD12 LEU B 88 5.848 1.028 -4.030 1.00 0.00 H new ATOM 0 HD13 LEU B 88 5.780 2.313 -2.801 1.00 0.00 H new ATOM 0 HD21 LEU B 88 5.526 4.639 -4.799 1.00 0.00 H new ATOM 0 HD22 LEU B 88 6.565 4.611 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU B 88 7.270 4.956 -4.952 1.00 0.00 H new