USER MOD reduce.3.24.130724 H: found=0, std=0, add=1148, rem=0, adj=32 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: A 71 GLN : amide:sc= 0.329 K(o=1.2,f=-3.1) USER MOD Set 1.2: A 75 THR OG1 : rot 68:sc= 1.14 USER MOD Set 1.3: B 71 GLN : amide:sc= -0.286 K(o=1.2,f=-3.1!) USER MOD Set 2.1: B 30 SER OG : rot 25:sc= 1.77 USER MOD Set 2.2: B 63 ASN : amide:sc= 0.989 K(o=2.8,f=-0.12) USER MOD Set 3.1: A 82 MET CE :methyl -168:sc= -0.0257 (180deg=-0.254) USER MOD Set 3.2: B 27 HIS : no HE2:sc= -0.32 K(o=0.91,f=-7.7) USER MOD Set 3.3: B 69 ASN : amide:sc= 1.25 K(o=0.91,f=-5!) USER MOD Single : A 3 SER OG : rot 150:sc= 1.38 USER MOD Single : A 7 GLN : amide:sc= -0.015 X(o=-0.015,f=0) USER MOD Single : A 17 HIS : no HE2:sc= 0.143 K(o=0.14,f=-2.9!) USER MOD Single : A 18 LYS NZ :NH3+ -171:sc= -0.0131 (180deg=-0.122) USER MOD Single : A 19 TYR OH : rot -3:sc= 1.27 USER MOD Single : A 20 SER OG : rot 168:sc= 0.972 USER MOD Single : A 28 THR OG1 : rot -31:sc= 0.598 USER MOD Single : A 30 SER OG : rot 31:sc= 0.687 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -167:sc= -0.0147 (180deg=-0.207) USER MOD Single : A 35 LYS NZ :NH3+ -171:sc= 0.211 (180deg=0.0335) USER MOD Single : A 39 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.08) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -166:sc= -0.105 (180deg=-0.339) USER MOD Single : A 57 MET CE :methyl 158:sc= -0.0409 (180deg=-1.01) USER MOD Single : A 69 ASN : amide:sc= 0.488 K(o=0.49,f=-3.3!) USER MOD Single : A 73 TYR OH : rot 157:sc= 1.04 USER MOD Single : A 84 TYR OH : rot 59:sc= 1.2 USER MOD Single : A 85 ASN : amide:sc= 0.902 K(o=0.9,f=0) USER MOD Single : B 3 SER OG : rot -150:sc= 0.11 USER MOD Single : B 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 17 HIS : no HE2:sc= -0.0217 K(o=-0.022,f=-3!) USER MOD Single : B 18 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000266) USER MOD Single : B 19 TYR OH : rot 17:sc= 1.24 USER MOD Single : B 20 SER OG : rot 173:sc= 1.52 USER MOD Single : B 28 THR OG1 : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0651) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ -130:sc= 0.0258 (180deg=-0.0558) USER MOD Single : B 39 GLN : amide:sc= -0.0359 X(o=-0.036,f=0) USER MOD Single : B 40 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00667) USER MOD Single : B 55 LYS NZ :NH3+ -139:sc= -0.0472 (180deg=-0.34) USER MOD Single : B 57 MET CE :methyl 159:sc= -0.0574 (180deg=-0.859) USER MOD Single : B 73 TYR OH : rot 161:sc= 0.975 USER MOD Single : B 75 THR OG1 : rot 68:sc= 1.16 USER MOD Single : B 82 MET CE :methyl 175:sc= 0 (180deg=-0.0316) USER MOD Single : B 84 TYR OH : rot 35:sc= 1.16 USER MOD Single : B 85 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -6.633 -6.854 -9.133 1.00 0.00 N ATOM 21 CA ALA A 2 -6.538 -5.679 -8.283 1.00 0.00 C ATOM 22 C ALA A 2 -7.571 -5.736 -7.154 1.00 0.00 C ATOM 23 O ALA A 2 -8.610 -5.082 -7.213 1.00 0.00 O ATOM 24 CB ALA A 2 -6.667 -4.401 -9.116 1.00 0.00 C ATOM 0 HA ALA A 2 -5.554 -5.666 -7.815 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.593 -3.532 -8.462 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.868 -4.367 -9.856 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -7.632 -4.393 -9.623 1.00 0.00 H new ATOM 30 N SER A 3 -7.260 -6.527 -6.124 1.00 0.00 N ATOM 31 CA SER A 3 -7.978 -6.568 -4.853 1.00 0.00 C ATOM 32 C SER A 3 -8.278 -5.153 -4.343 1.00 0.00 C ATOM 33 O SER A 3 -7.524 -4.232 -4.651 1.00 0.00 O ATOM 34 CB SER A 3 -7.107 -7.320 -3.831 1.00 0.00 C ATOM 35 OG SER A 3 -7.336 -6.893 -2.500 1.00 0.00 O ATOM 0 H SER A 3 -6.475 -7.177 -6.156 1.00 0.00 H new ATOM 0 HA SER A 3 -8.931 -7.079 -4.993 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.308 -8.389 -3.905 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.056 -7.175 -4.079 1.00 0.00 H new ATOM 0 HG SER A 3 -7.175 -7.639 -1.885 1.00 0.00 H new ATOM 41 N PRO A 4 -9.313 -4.968 -3.502 1.00 0.00 N ATOM 42 CA PRO A 4 -9.530 -3.713 -2.800 1.00 0.00 C ATOM 43 C PRO A 4 -8.257 -3.238 -2.090 1.00 0.00 C ATOM 44 O PRO A 4 -7.962 -2.043 -2.118 1.00 0.00 O ATOM 45 CB PRO A 4 -10.685 -3.966 -1.824 1.00 0.00 C ATOM 46 CG PRO A 4 -10.705 -5.485 -1.657 1.00 0.00 C ATOM 47 CD PRO A 4 -10.246 -5.980 -3.028 1.00 0.00 C ATOM 0 HA PRO A 4 -9.783 -2.909 -3.491 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.520 -3.462 -0.872 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -11.630 -3.596 -2.221 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -10.035 -5.814 -0.863 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.700 -5.852 -1.407 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.766 -6.956 -2.955 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -11.089 -6.090 -3.710 1.00 0.00 H new ATOM 55 N LEU A 5 -7.474 -4.151 -1.493 1.00 0.00 N ATOM 56 CA LEU A 5 -6.189 -3.755 -0.930 1.00 0.00 C ATOM 57 C LEU A 5 -5.285 -3.207 -2.023 1.00 0.00 C ATOM 58 O LEU A 5 -4.760 -2.110 -1.886 1.00 0.00 O ATOM 59 CB LEU A 5 -5.461 -4.905 -0.208 1.00 0.00 C ATOM 60 CG LEU A 5 -5.557 -4.897 1.323 1.00 0.00 C ATOM 61 CD1 LEU A 5 -4.605 -5.978 1.854 1.00 0.00 C ATOM 62 CD2 LEU A 5 -5.133 -3.560 1.954 1.00 0.00 C ATOM 0 H LEU A 5 -7.705 -5.139 -1.393 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.406 -2.987 -0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.862 -5.850 -0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.408 -4.876 -0.488 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.600 -5.071 1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.649 -5.999 2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.902 -6.950 1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.587 -5.754 1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.225 -3.624 3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.098 -3.345 1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.775 -2.762 1.582 1.00 0.00 H new ATOM 74 N ASP A 6 -5.077 -3.972 -3.096 1.00 0.00 N ATOM 75 CA ASP A 6 -4.157 -3.576 -4.156 1.00 0.00 C ATOM 76 C ASP A 6 -4.568 -2.230 -4.759 1.00 0.00 C ATOM 77 O ASP A 6 -3.719 -1.394 -5.048 1.00 0.00 O ATOM 78 CB ASP A 6 -4.065 -4.669 -5.221 1.00 0.00 C ATOM 79 CG ASP A 6 -2.928 -4.377 -6.196 1.00 0.00 C ATOM 80 OD1 ASP A 6 -1.761 -4.514 -5.761 1.00 0.00 O ATOM 81 OD2 ASP A 6 -3.249 -4.028 -7.351 1.00 0.00 O ATOM 0 H ASP A 6 -5.535 -4.870 -3.251 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.164 -3.449 -3.726 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.903 -5.636 -4.744 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.008 -4.735 -5.764 1.00 0.00 H new ATOM 86 N GLN A 7 -5.874 -2.016 -4.917 1.00 0.00 N ATOM 87 CA GLN A 7 -6.458 -0.778 -5.403 1.00 0.00 C ATOM 88 C GLN A 7 -6.175 0.371 -4.429 1.00 0.00 C ATOM 89 O GLN A 7 -5.687 1.422 -4.834 1.00 0.00 O ATOM 90 CB GLN A 7 -7.962 -1.006 -5.605 1.00 0.00 C ATOM 91 CG GLN A 7 -8.642 0.163 -6.327 1.00 0.00 C ATOM 92 CD GLN A 7 -10.150 -0.042 -6.429 1.00 0.00 C ATOM 93 OE1 GLN A 7 -10.927 0.813 -6.017 1.00 0.00 O ATOM 94 NE2 GLN A 7 -10.586 -1.177 -6.968 1.00 0.00 N ATOM 0 H GLN A 7 -6.573 -2.727 -4.701 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.011 -0.493 -6.355 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.114 -1.920 -6.178 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.437 -1.155 -4.635 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.435 1.091 -5.793 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.220 0.269 -7.326 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -9.919 -1.872 -7.303 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.588 -1.353 -7.046 1.00 0.00 H new ATOM 103 N ALA A 8 -6.492 0.187 -3.146 1.00 0.00 N ATOM 104 CA ALA A 8 -6.309 1.218 -2.129 1.00 0.00 C ATOM 105 C ALA A 8 -4.825 1.571 -1.961 1.00 0.00 C ATOM 106 O ALA A 8 -4.444 2.742 -1.930 1.00 0.00 O ATOM 107 CB ALA A 8 -6.929 0.726 -0.826 1.00 0.00 C ATOM 0 H ALA A 8 -6.883 -0.683 -2.785 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.809 2.136 -2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.802 1.484 -0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.992 0.537 -0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.437 -0.196 -0.514 1.00 0.00 H new ATOM 113 N ILE A 9 -3.975 0.547 -1.890 1.00 0.00 N ATOM 114 CA ILE A 9 -2.530 0.690 -1.954 1.00 0.00 C ATOM 115 C ILE A 9 -2.195 1.499 -3.209 1.00 0.00 C ATOM 116 O ILE A 9 -1.520 2.518 -3.117 1.00 0.00 O ATOM 117 CB ILE A 9 -1.867 -0.702 -1.925 1.00 0.00 C ATOM 118 CG1 ILE A 9 -1.983 -1.302 -0.510 1.00 0.00 C ATOM 119 CG2 ILE A 9 -0.400 -0.641 -2.366 1.00 0.00 C ATOM 120 CD1 ILE A 9 -1.605 -2.786 -0.460 1.00 0.00 C ATOM 0 H ILE A 9 -4.282 -0.420 -1.785 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.137 1.228 -1.091 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.391 -1.343 -2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.338 -0.745 0.170 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.005 -1.180 -0.152 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.032 -1.641 -2.332 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.342 -0.255 -3.384 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.154 0.016 -1.696 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.706 -3.153 0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.266 -3.352 -1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.574 -2.910 -0.790 1.00 0.00 H new ATOM 132 N GLY A 10 -2.704 1.075 -4.368 1.00 0.00 N ATOM 133 CA GLY A 10 -2.586 1.771 -5.641 1.00 0.00 C ATOM 134 C GLY A 10 -2.897 3.262 -5.515 1.00 0.00 C ATOM 135 O GLY A 10 -2.135 4.090 -6.006 1.00 0.00 O ATOM 0 H GLY A 10 -3.229 0.204 -4.443 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.576 1.644 -6.030 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.265 1.320 -6.364 1.00 0.00 H new ATOM 139 N LEU A 11 -3.997 3.617 -4.850 1.00 0.00 N ATOM 140 CA LEU A 11 -4.346 5.001 -4.556 1.00 0.00 C ATOM 141 C LEU A 11 -3.220 5.693 -3.773 1.00 0.00 C ATOM 142 O LEU A 11 -2.718 6.726 -4.214 1.00 0.00 O ATOM 143 CB LEU A 11 -5.705 5.058 -3.835 1.00 0.00 C ATOM 144 CG LEU A 11 -6.876 5.165 -4.826 1.00 0.00 C ATOM 145 CD1 LEU A 11 -8.136 4.478 -4.287 1.00 0.00 C ATOM 146 CD2 LEU A 11 -7.195 6.641 -5.086 1.00 0.00 C ATOM 0 H LEU A 11 -4.676 2.942 -4.498 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.454 5.556 -5.488 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.829 4.165 -3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.722 5.913 -3.159 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.576 4.668 -5.748 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.942 4.574 -5.014 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.928 3.422 -4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.434 4.948 -3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.025 6.716 -5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.469 7.125 -4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.319 7.134 -5.506 1.00 0.00 H new ATOM 158 N LEU A 12 -2.798 5.140 -2.631 1.00 0.00 N ATOM 159 CA LEU A 12 -1.743 5.755 -1.817 1.00 0.00 C ATOM 160 C LEU A 12 -0.429 5.902 -2.605 1.00 0.00 C ATOM 161 O LEU A 12 0.230 6.944 -2.531 1.00 0.00 O ATOM 162 CB LEU A 12 -1.542 4.985 -0.497 1.00 0.00 C ATOM 163 CG LEU A 12 -2.469 5.481 0.631 1.00 0.00 C ATOM 164 CD1 LEU A 12 -3.949 5.319 0.292 1.00 0.00 C ATOM 165 CD2 LEU A 12 -2.195 4.707 1.924 1.00 0.00 C ATOM 0 H LEU A 12 -3.169 4.270 -2.250 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.068 6.763 -1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.723 3.924 -0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.504 5.084 -0.178 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.254 6.542 0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.554 5.684 1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.181 5.891 -0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.169 4.266 0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.857 5.068 2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.375 3.645 1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.158 4.856 2.225 1.00 0.00 H new ATOM 177 N ILE A 13 -0.052 4.870 -3.365 1.00 0.00 N ATOM 178 CA ILE A 13 1.080 4.907 -4.289 1.00 0.00 C ATOM 179 C ILE A 13 0.904 6.059 -5.274 1.00 0.00 C ATOM 180 O ILE A 13 1.785 6.903 -5.393 1.00 0.00 O ATOM 181 CB ILE A 13 1.237 3.568 -5.040 1.00 0.00 C ATOM 182 CG1 ILE A 13 1.656 2.452 -4.070 1.00 0.00 C ATOM 183 CG2 ILE A 13 2.256 3.702 -6.187 1.00 0.00 C ATOM 184 CD1 ILE A 13 1.749 1.095 -4.776 1.00 0.00 C ATOM 0 H ILE A 13 -0.534 3.971 -3.354 1.00 0.00 H new ATOM 0 HA ILE A 13 1.990 5.066 -3.711 1.00 0.00 H new ATOM 0 HB ILE A 13 0.272 3.303 -5.472 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.621 2.698 -3.626 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.936 2.389 -3.254 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.351 2.746 -6.703 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.914 4.462 -6.890 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.225 3.993 -5.781 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.048 0.331 -4.058 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.778 0.837 -5.197 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.488 1.151 -5.575 1.00 0.00 H new ATOM 196 N GLY A 14 -0.211 6.080 -6.005 1.00 0.00 N ATOM 197 CA GLY A 14 -0.491 7.067 -7.033 1.00 0.00 C ATOM 198 C GLY A 14 -0.366 8.473 -6.463 1.00 0.00 C ATOM 199 O GLY A 14 0.320 9.321 -7.029 1.00 0.00 O ATOM 0 H GLY A 14 -0.957 5.394 -5.892 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.202 6.942 -7.865 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.495 6.915 -7.428 1.00 0.00 H new ATOM 203 N ILE A 15 -0.999 8.702 -5.312 1.00 0.00 N ATOM 204 CA ILE A 15 -0.901 9.953 -4.581 1.00 0.00 C ATOM 205 C ILE A 15 0.566 10.299 -4.302 1.00 0.00 C ATOM 206 O ILE A 15 0.978 11.433 -4.529 1.00 0.00 O ATOM 207 CB ILE A 15 -1.746 9.860 -3.301 1.00 0.00 C ATOM 208 CG1 ILE A 15 -3.253 9.822 -3.625 1.00 0.00 C ATOM 209 CG2 ILE A 15 -1.406 11.008 -2.348 1.00 0.00 C ATOM 210 CD1 ILE A 15 -3.889 11.191 -3.881 1.00 0.00 C ATOM 0 H ILE A 15 -1.600 8.012 -4.861 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.300 10.770 -5.182 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.501 8.923 -2.800 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.406 9.196 -4.504 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.776 9.343 -2.798 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.014 10.925 -1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.351 10.957 -2.079 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.610 11.960 -2.838 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.949 11.064 -4.100 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.774 11.817 -2.996 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.397 11.668 -4.729 1.00 0.00 H new ATOM 222 N PHE A 16 1.371 9.345 -3.827 1.00 0.00 N ATOM 223 CA PHE A 16 2.797 9.592 -3.637 1.00 0.00 C ATOM 224 C PHE A 16 3.443 10.013 -4.964 1.00 0.00 C ATOM 225 O PHE A 16 4.088 11.057 -5.066 1.00 0.00 O ATOM 226 CB PHE A 16 3.473 8.343 -3.053 1.00 0.00 C ATOM 227 CG PHE A 16 4.861 8.575 -2.490 1.00 0.00 C ATOM 228 CD1 PHE A 16 5.021 9.357 -1.333 1.00 0.00 C ATOM 229 CD2 PHE A 16 5.984 7.969 -3.081 1.00 0.00 C ATOM 230 CE1 PHE A 16 6.290 9.503 -0.746 1.00 0.00 C ATOM 231 CE2 PHE A 16 7.255 8.128 -2.501 1.00 0.00 C ATOM 232 CZ PHE A 16 7.409 8.900 -1.338 1.00 0.00 C ATOM 0 H PHE A 16 1.062 8.407 -3.571 1.00 0.00 H new ATOM 0 HA PHE A 16 2.931 10.409 -2.928 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.839 7.940 -2.263 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.535 7.583 -3.832 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.165 9.848 -0.893 1.00 0.00 H new ATOM 0 HD2 PHE A 16 5.870 7.382 -3.980 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.403 10.079 0.160 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.115 7.655 -2.951 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.388 9.029 -0.900 1.00 0.00 H new ATOM 242 N HIS A 17 3.247 9.197 -6.003 1.00 0.00 N ATOM 243 CA HIS A 17 3.857 9.392 -7.306 1.00 0.00 C ATOM 244 C HIS A 17 3.498 10.762 -7.889 1.00 0.00 C ATOM 245 O HIS A 17 4.324 11.388 -8.552 1.00 0.00 O ATOM 246 CB HIS A 17 3.483 8.250 -8.260 1.00 0.00 C ATOM 247 CG HIS A 17 4.329 8.208 -9.513 1.00 0.00 C ATOM 248 ND1 HIS A 17 4.721 9.290 -10.273 1.00 0.00 N ATOM 249 CD2 HIS A 17 4.907 7.095 -10.065 1.00 0.00 C ATOM 250 CE1 HIS A 17 5.507 8.835 -11.261 1.00 0.00 C ATOM 251 NE2 HIS A 17 5.659 7.504 -11.172 1.00 0.00 N ATOM 0 H HIS A 17 2.650 8.372 -5.954 1.00 0.00 H new ATOM 0 HA HIS A 17 4.939 9.373 -7.180 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.581 7.301 -7.733 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.435 8.352 -8.542 1.00 0.00 H new ATOM 0 HD1 HIS A 17 4.460 10.263 -10.113 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.801 6.081 -9.709 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.956 9.455 -12.023 1.00 0.00 H new ATOM 259 N LYS A 18 2.266 11.214 -7.650 1.00 0.00 N ATOM 260 CA LYS A 18 1.750 12.503 -8.086 1.00 0.00 C ATOM 261 C LYS A 18 2.665 13.660 -7.658 1.00 0.00 C ATOM 262 O LYS A 18 2.701 14.673 -8.354 1.00 0.00 O ATOM 263 CB LYS A 18 0.312 12.643 -7.564 1.00 0.00 C ATOM 264 CG LYS A 18 -0.440 13.885 -8.057 1.00 0.00 C ATOM 265 CD LYS A 18 -1.871 13.921 -7.488 1.00 0.00 C ATOM 266 CE LYS A 18 -2.794 12.807 -8.002 1.00 0.00 C ATOM 267 NZ LYS A 18 -2.881 12.789 -9.472 1.00 0.00 N ATOM 0 H LYS A 18 1.579 10.669 -7.128 1.00 0.00 H new ATOM 0 HA LYS A 18 1.733 12.552 -9.175 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.252 11.757 -7.855 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.337 12.661 -6.474 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.098 14.784 -7.757 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.477 13.884 -9.146 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.817 13.857 -6.401 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.319 14.885 -7.729 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.427 11.843 -7.650 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.791 12.941 -7.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.626 12.127 -9.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.108 13.743 -9.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.970 12.484 -9.870 1.00 0.00 H new ATOM 281 N TYR A 19 3.404 13.518 -6.549 1.00 0.00 N ATOM 282 CA TYR A 19 4.355 14.523 -6.084 1.00 0.00 C ATOM 283 C TYR A 19 5.767 13.933 -6.085 1.00 0.00 C ATOM 284 O TYR A 19 6.578 14.252 -6.954 1.00 0.00 O ATOM 285 CB TYR A 19 3.936 15.058 -4.704 1.00 0.00 C ATOM 286 CG TYR A 19 2.599 15.783 -4.695 1.00 0.00 C ATOM 287 CD1 TYR A 19 1.405 15.039 -4.713 1.00 0.00 C ATOM 288 CD2 TYR A 19 2.537 17.191 -4.685 1.00 0.00 C ATOM 289 CE1 TYR A 19 0.161 15.690 -4.738 1.00 0.00 C ATOM 290 CE2 TYR A 19 1.291 17.842 -4.730 1.00 0.00 C ATOM 291 CZ TYR A 19 0.105 17.091 -4.774 1.00 0.00 C ATOM 292 OH TYR A 19 -1.096 17.727 -4.879 1.00 0.00 O ATOM 0 H TYR A 19 3.354 12.695 -5.949 1.00 0.00 H new ATOM 0 HA TYR A 19 4.356 15.376 -6.763 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.889 14.225 -4.003 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.707 15.737 -4.341 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.445 13.960 -4.708 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.447 17.771 -4.643 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.752 15.113 -4.730 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.246 18.921 -4.731 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.811 17.063 -4.973 1.00 0.00 H new ATOM 302 N SER A 20 6.070 13.050 -5.134 1.00 0.00 N ATOM 303 CA SER A 20 7.389 12.466 -4.941 1.00 0.00 C ATOM 304 C SER A 20 7.890 11.847 -6.236 1.00 0.00 C ATOM 305 O SER A 20 8.998 12.116 -6.689 1.00 0.00 O ATOM 306 CB SER A 20 7.288 11.392 -3.856 1.00 0.00 C ATOM 307 OG SER A 20 6.226 11.727 -2.988 1.00 0.00 O ATOM 0 H SER A 20 5.382 12.714 -4.460 1.00 0.00 H new ATOM 0 HA SER A 20 8.093 13.241 -4.639 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.115 10.415 -4.306 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.224 11.326 -3.301 1.00 0.00 H new ATOM 0 HG SER A 20 6.026 10.964 -2.406 1.00 0.00 H new ATOM 415 N THR A 28 11.406 9.369 -2.330 1.00 0.00 N ATOM 416 CA THR A 28 11.541 10.326 -1.240 1.00 0.00 C ATOM 417 C THR A 28 10.898 11.674 -1.572 1.00 0.00 C ATOM 418 O THR A 28 10.675 12.003 -2.735 1.00 0.00 O ATOM 419 CB THR A 28 13.032 10.483 -0.903 1.00 0.00 C ATOM 420 OG1 THR A 28 13.803 10.424 -2.083 1.00 0.00 O ATOM 421 CG2 THR A 28 13.531 9.363 0.014 1.00 0.00 C ATOM 0 HA THR A 28 11.007 9.945 -0.369 1.00 0.00 H new ATOM 0 HB THR A 28 13.140 11.445 -0.401 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.361 9.839 -2.733 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.589 9.512 0.227 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.967 9.378 0.947 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.392 8.401 -0.478 1.00 0.00 H new ATOM 429 N LEU A 29 10.601 12.452 -0.528 1.00 0.00 N ATOM 430 CA LEU A 29 10.156 13.840 -0.607 1.00 0.00 C ATOM 431 C LEU A 29 10.396 14.498 0.758 1.00 0.00 C ATOM 432 O LEU A 29 11.007 13.865 1.617 1.00 0.00 O ATOM 433 CB LEU A 29 8.697 13.928 -1.082 1.00 0.00 C ATOM 434 CG LEU A 29 7.677 13.020 -0.374 1.00 0.00 C ATOM 435 CD1 LEU A 29 7.856 12.894 1.138 1.00 0.00 C ATOM 436 CD2 LEU A 29 6.264 13.554 -0.616 1.00 0.00 C ATOM 0 H LEU A 29 10.668 12.116 0.433 1.00 0.00 H new ATOM 0 HA LEU A 29 10.731 14.387 -1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 29 8.366 14.961 -0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.673 13.699 -2.147 1.00 0.00 H new ATOM 0 HG LEU A 29 7.842 12.031 -0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.089 12.233 1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.841 12.481 1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.766 13.878 1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.541 12.911 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.185 14.566 -0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.058 13.566 -1.686 1.00 0.00 H new ATOM 448 N SER A 30 9.930 15.731 0.996 1.00 0.00 N ATOM 449 CA SER A 30 10.099 16.401 2.285 1.00 0.00 C ATOM 450 C SER A 30 8.925 17.339 2.599 1.00 0.00 C ATOM 451 O SER A 30 7.896 17.328 1.920 1.00 0.00 O ATOM 452 CB SER A 30 11.444 17.150 2.317 1.00 0.00 C ATOM 453 OG SER A 30 11.781 17.541 3.640 1.00 0.00 O ATOM 0 H SER A 30 9.429 16.286 0.303 1.00 0.00 H new ATOM 0 HA SER A 30 10.107 15.640 3.066 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.229 16.511 1.912 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.388 18.031 1.677 1.00 0.00 H new ATOM 0 HG SER A 30 11.417 16.891 4.276 1.00 0.00 H new ATOM 459 N LYS A 31 9.126 18.149 3.640 1.00 0.00 N ATOM 460 CA LYS A 31 8.190 19.059 4.288 1.00 0.00 C ATOM 461 C LYS A 31 7.195 19.726 3.335 1.00 0.00 C ATOM 462 O LYS A 31 5.983 19.626 3.524 1.00 0.00 O ATOM 463 CB LYS A 31 8.980 20.074 5.138 1.00 0.00 C ATOM 464 CG LYS A 31 10.136 20.792 4.421 1.00 0.00 C ATOM 465 CD LYS A 31 10.942 21.629 5.422 1.00 0.00 C ATOM 466 CE LYS A 31 12.138 22.288 4.726 1.00 0.00 C ATOM 467 NZ LYS A 31 12.917 23.114 5.666 1.00 0.00 N ATOM 0 H LYS A 31 10.040 18.185 4.092 1.00 0.00 H new ATOM 0 HA LYS A 31 7.551 18.464 4.941 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.285 20.827 5.510 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.383 19.555 6.008 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.786 20.061 3.941 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.742 21.434 3.633 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.303 22.394 5.864 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.291 20.996 6.237 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.780 21.519 4.296 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.785 22.907 3.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.719 23.547 5.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.309 23.862 6.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.273 22.517 6.440 1.00 0.00 H new ATOM 481 N LYS A 32 7.695 20.433 2.319 1.00 0.00 N ATOM 482 CA LYS A 32 6.860 21.158 1.378 1.00 0.00 C ATOM 483 C LYS A 32 5.893 20.191 0.697 1.00 0.00 C ATOM 484 O LYS A 32 4.683 20.412 0.680 1.00 0.00 O ATOM 485 CB LYS A 32 7.785 21.858 0.376 1.00 0.00 C ATOM 486 CG LYS A 32 7.023 22.547 -0.762 1.00 0.00 C ATOM 487 CD LYS A 32 8.001 23.196 -1.748 1.00 0.00 C ATOM 488 CE LYS A 32 8.685 24.465 -1.218 1.00 0.00 C ATOM 489 NZ LYS A 32 7.711 25.520 -0.883 1.00 0.00 N ATOM 0 H LYS A 32 8.694 20.515 2.131 1.00 0.00 H new ATOM 0 HA LYS A 32 6.252 21.910 1.881 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.388 22.598 0.902 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.474 21.127 -0.046 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.401 21.820 -1.284 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.354 23.304 -0.353 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.768 22.468 -2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.465 23.442 -2.664 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.271 24.218 -0.332 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.382 24.840 -1.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.210 26.421 -0.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.027 25.621 -1.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.207 25.263 -0.010 1.00 0.00 H new ATOM 503 N GLU A 33 6.439 19.113 0.138 1.00 0.00 N ATOM 504 CA GLU A 33 5.670 18.139 -0.608 1.00 0.00 C ATOM 505 C GLU A 33 4.648 17.464 0.301 1.00 0.00 C ATOM 506 O GLU A 33 3.520 17.245 -0.120 1.00 0.00 O ATOM 507 CB GLU A 33 6.607 17.108 -1.240 1.00 0.00 C ATOM 508 CG GLU A 33 7.701 17.737 -2.116 1.00 0.00 C ATOM 509 CD GLU A 33 7.123 18.669 -3.177 1.00 0.00 C ATOM 510 OE1 GLU A 33 6.392 18.150 -4.049 1.00 0.00 O ATOM 511 OE2 GLU A 33 7.407 19.882 -3.082 1.00 0.00 O ATOM 0 H GLU A 33 7.434 18.896 0.195 1.00 0.00 H new ATOM 0 HA GLU A 33 5.128 18.647 -1.406 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.076 16.522 -0.450 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.020 16.416 -1.845 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.395 18.293 -1.485 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.274 16.947 -2.602 1.00 0.00 H new ATOM 518 N LEU A 34 5.024 17.142 1.541 1.00 0.00 N ATOM 519 CA LEU A 34 4.095 16.587 2.522 1.00 0.00 C ATOM 520 C LEU A 34 2.933 17.549 2.790 1.00 0.00 C ATOM 521 O LEU A 34 1.768 17.154 2.715 1.00 0.00 O ATOM 522 CB LEU A 34 4.832 16.287 3.826 1.00 0.00 C ATOM 523 CG LEU A 34 5.776 15.082 3.746 1.00 0.00 C ATOM 524 CD1 LEU A 34 6.715 15.149 4.951 1.00 0.00 C ATOM 525 CD2 LEU A 34 5.010 13.752 3.758 1.00 0.00 C ATOM 0 H LEU A 34 5.975 17.259 1.890 1.00 0.00 H new ATOM 0 HA LEU A 34 3.685 15.663 2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.406 17.167 4.117 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.099 16.110 4.613 1.00 0.00 H new ATOM 0 HG LEU A 34 6.330 15.122 2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.402 14.303 4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.283 16.079 4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.130 15.113 5.870 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.717 12.924 3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.433 13.673 4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.335 13.713 2.903 1.00 0.00 H new ATOM 537 N LYS A 35 3.239 18.808 3.125 1.00 0.00 N ATOM 538 CA LYS A 35 2.200 19.793 3.403 1.00 0.00 C ATOM 539 C LYS A 35 1.296 19.985 2.183 1.00 0.00 C ATOM 540 O LYS A 35 0.072 20.016 2.326 1.00 0.00 O ATOM 541 CB LYS A 35 2.798 21.110 3.908 1.00 0.00 C ATOM 542 CG LYS A 35 3.343 20.925 5.332 1.00 0.00 C ATOM 543 CD LYS A 35 3.722 22.252 6.004 1.00 0.00 C ATOM 544 CE LYS A 35 4.815 23.020 5.254 1.00 0.00 C ATOM 545 NZ LYS A 35 6.012 22.190 5.050 1.00 0.00 N ATOM 0 H LYS A 35 4.192 19.162 3.208 1.00 0.00 H new ATOM 0 HA LYS A 35 1.573 19.413 4.209 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.598 21.435 3.243 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.038 21.892 3.899 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.594 20.417 5.939 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.219 20.277 5.299 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.834 22.879 6.080 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.060 22.053 7.021 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.432 23.351 4.289 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.083 23.915 5.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.784 22.780 4.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.302 21.770 5.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.798 21.433 4.370 1.00 0.00 H new ATOM 559 N GLU A 36 1.878 20.074 0.982 1.00 0.00 N ATOM 560 CA GLU A 36 1.080 20.089 -0.235 1.00 0.00 C ATOM 561 C GLU A 36 0.206 18.838 -0.296 1.00 0.00 C ATOM 562 O GLU A 36 -1.006 18.970 -0.321 1.00 0.00 O ATOM 563 CB GLU A 36 1.950 20.228 -1.489 1.00 0.00 C ATOM 564 CG GLU A 36 2.588 21.621 -1.582 1.00 0.00 C ATOM 565 CD GLU A 36 3.604 21.720 -2.718 1.00 0.00 C ATOM 566 OE1 GLU A 36 3.582 20.830 -3.596 1.00 0.00 O ATOM 567 OE2 GLU A 36 4.385 22.696 -2.688 1.00 0.00 O ATOM 0 H GLU A 36 2.885 20.136 0.834 1.00 0.00 H new ATOM 0 HA GLU A 36 0.434 20.967 -0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.732 19.469 -1.476 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.343 20.045 -2.376 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.807 22.366 -1.731 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.078 21.857 -0.638 1.00 0.00 H new ATOM 574 N LEU A 37 0.790 17.637 -0.305 1.00 0.00 N ATOM 575 CA LEU A 37 0.069 16.367 -0.344 1.00 0.00 C ATOM 576 C LEU A 37 -1.171 16.405 0.546 1.00 0.00 C ATOM 577 O LEU A 37 -2.285 16.234 0.053 1.00 0.00 O ATOM 578 CB LEU A 37 0.986 15.211 0.090 1.00 0.00 C ATOM 579 CG LEU A 37 1.734 14.572 -1.085 1.00 0.00 C ATOM 580 CD1 LEU A 37 2.953 13.807 -0.570 1.00 0.00 C ATOM 581 CD2 LEU A 37 0.817 13.581 -1.806 1.00 0.00 C ATOM 0 H LEU A 37 1.803 17.521 -0.285 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.251 16.202 -1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.709 15.580 0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.390 14.449 0.592 1.00 0.00 H new ATOM 0 HG LEU A 37 2.047 15.361 -1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.480 13.355 -1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.620 14.494 -0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.629 13.026 0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.354 13.130 -2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.505 12.802 -1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.062 14.105 -2.181 1.00 0.00 H new ATOM 593 N ILE A 38 -0.986 16.626 1.850 1.00 0.00 N ATOM 594 CA ILE A 38 -2.120 16.611 2.763 1.00 0.00 C ATOM 595 C ILE A 38 -3.130 17.702 2.376 1.00 0.00 C ATOM 596 O ILE A 38 -4.302 17.394 2.180 1.00 0.00 O ATOM 597 CB ILE A 38 -1.655 16.614 4.233 1.00 0.00 C ATOM 598 CG1 ILE A 38 -2.791 16.235 5.195 1.00 0.00 C ATOM 599 CG2 ILE A 38 -1.028 17.942 4.659 1.00 0.00 C ATOM 600 CD1 ILE A 38 -2.272 15.945 6.609 1.00 0.00 C ATOM 0 H ILE A 38 -0.083 16.813 2.285 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.669 15.674 2.666 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.878 15.851 4.293 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.518 17.046 5.235 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.312 15.357 4.813 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.721 17.881 5.703 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.158 18.150 4.036 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.758 18.743 4.541 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.108 15.681 7.257 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.565 15.116 6.574 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.774 16.831 7.003 1.00 0.00 H new ATOM 612 N GLN A 39 -2.694 18.954 2.206 1.00 0.00 N ATOM 613 CA GLN A 39 -3.610 20.060 1.935 1.00 0.00 C ATOM 614 C GLN A 39 -4.409 19.836 0.641 1.00 0.00 C ATOM 615 O GLN A 39 -5.619 20.037 0.601 1.00 0.00 O ATOM 616 CB GLN A 39 -2.806 21.369 1.874 1.00 0.00 C ATOM 617 CG GLN A 39 -3.691 22.612 2.039 1.00 0.00 C ATOM 618 CD GLN A 39 -4.210 22.765 3.468 1.00 0.00 C ATOM 619 OE1 GLN A 39 -5.413 22.788 3.707 1.00 0.00 O ATOM 620 NE2 GLN A 39 -3.307 22.873 4.438 1.00 0.00 N ATOM 0 H GLN A 39 -1.712 19.224 2.252 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.340 20.119 2.742 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.047 21.362 2.656 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.281 21.425 0.920 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.122 23.500 1.764 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.535 22.549 1.352 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.312 22.851 4.213 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.609 22.978 5.407 1.00 0.00 H new ATOM 629 N LYS A 40 -3.706 19.455 -0.426 1.00 0.00 N ATOM 630 CA LYS A 40 -4.239 19.263 -1.764 1.00 0.00 C ATOM 631 C LYS A 40 -5.177 18.057 -1.775 1.00 0.00 C ATOM 632 O LYS A 40 -6.335 18.152 -2.176 1.00 0.00 O ATOM 633 CB LYS A 40 -3.092 18.999 -2.764 1.00 0.00 C ATOM 634 CG LYS A 40 -1.943 20.023 -2.816 1.00 0.00 C ATOM 635 CD LYS A 40 -1.951 20.912 -4.060 1.00 0.00 C ATOM 636 CE LYS A 40 -2.928 22.064 -3.844 1.00 0.00 C ATOM 637 NZ LYS A 40 -3.020 22.928 -5.032 1.00 0.00 N ATOM 0 H LYS A 40 -2.705 19.265 -0.373 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.779 20.165 -2.054 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.663 18.024 -2.534 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.525 18.929 -3.762 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.995 20.656 -1.930 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.994 19.489 -2.771 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.950 21.299 -4.252 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.242 20.331 -4.935 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.914 21.665 -3.606 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.609 22.656 -2.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.693 23.700 -4.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.084 23.328 -5.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.349 22.368 -5.844 1.00 0.00 H new ATOM 651 N GLU A 41 -4.638 16.900 -1.383 1.00 0.00 N ATOM 652 CA GLU A 41 -5.300 15.622 -1.560 1.00 0.00 C ATOM 653 C GLU A 41 -6.294 15.356 -0.436 1.00 0.00 C ATOM 654 O GLU A 41 -7.445 15.022 -0.713 1.00 0.00 O ATOM 655 CB GLU A 41 -4.261 14.502 -1.689 1.00 0.00 C ATOM 656 CG GLU A 41 -3.182 14.788 -2.748 1.00 0.00 C ATOM 657 CD GLU A 41 -3.741 15.071 -4.137 1.00 0.00 C ATOM 658 OE1 GLU A 41 -4.626 14.300 -4.568 1.00 0.00 O ATOM 659 OE2 GLU A 41 -3.251 16.043 -4.755 1.00 0.00 O ATOM 0 H GLU A 41 -3.725 16.832 -0.933 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.875 15.650 -2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.780 14.350 -0.723 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.770 13.572 -1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.587 15.643 -2.425 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.508 13.934 -2.805 1.00 0.00 H new ATOM 666 N LEU A 42 -5.890 15.520 0.828 1.00 0.00 N ATOM 667 CA LEU A 42 -6.825 15.470 1.947 1.00 0.00 C ATOM 668 C LEU A 42 -7.485 16.839 2.073 1.00 0.00 C ATOM 669 O LEU A 42 -7.371 17.518 3.093 1.00 0.00 O ATOM 670 CB LEU A 42 -6.135 14.995 3.238 1.00 0.00 C ATOM 671 CG LEU A 42 -5.942 13.473 3.230 1.00 0.00 C ATOM 672 CD1 LEU A 42 -4.777 13.071 4.132 1.00 0.00 C ATOM 673 CD2 LEU A 42 -7.212 12.759 3.704 1.00 0.00 C ATOM 0 H LEU A 42 -4.921 15.688 1.098 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.604 14.730 1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.168 15.487 3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.733 15.285 4.102 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.725 13.175 2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.658 11.988 4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.861 13.543 3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.979 13.395 5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.050 11.681 3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.451 13.077 4.719 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.040 13.011 3.041 1.00 0.00 H new ATOM 794 N ASP A 50 -8.092 16.718 15.484 1.00 0.00 N ATOM 795 CA ASP A 50 -6.756 17.294 15.620 1.00 0.00 C ATOM 796 C ASP A 50 -5.769 16.676 14.630 1.00 0.00 C ATOM 797 O ASP A 50 -4.928 17.390 14.090 1.00 0.00 O ATOM 798 CB ASP A 50 -6.225 17.266 17.059 1.00 0.00 C ATOM 799 CG ASP A 50 -6.095 15.880 17.670 1.00 0.00 C ATOM 800 OD1 ASP A 50 -5.028 15.272 17.454 1.00 0.00 O ATOM 801 OD2 ASP A 50 -7.044 15.472 18.374 1.00 0.00 O ATOM 0 HA ASP A 50 -6.856 18.349 15.365 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.248 17.748 17.079 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.888 17.862 17.686 1.00 0.00 H new ATOM 806 N ALA A 51 -5.873 15.368 14.378 1.00 0.00 N ATOM 807 CA ALA A 51 -4.982 14.581 13.529 1.00 0.00 C ATOM 808 C ALA A 51 -4.335 15.352 12.375 1.00 0.00 C ATOM 809 O ALA A 51 -3.111 15.428 12.290 1.00 0.00 O ATOM 810 CB ALA A 51 -5.771 13.396 12.982 1.00 0.00 C ATOM 0 H ALA A 51 -6.620 14.803 14.783 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.148 14.267 14.157 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -5.125 12.792 12.344 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.134 12.787 13.810 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.618 13.760 12.401 1.00 0.00 H new ATOM 816 N GLU A 52 -5.145 15.904 11.469 1.00 0.00 N ATOM 817 CA GLU A 52 -4.645 16.564 10.268 1.00 0.00 C ATOM 818 C GLU A 52 -3.789 17.780 10.631 1.00 0.00 C ATOM 819 O GLU A 52 -2.748 18.037 10.024 1.00 0.00 O ATOM 820 CB GLU A 52 -5.835 16.943 9.373 1.00 0.00 C ATOM 821 CG GLU A 52 -5.414 17.280 7.936 1.00 0.00 C ATOM 822 CD GLU A 52 -6.549 17.908 7.133 1.00 0.00 C ATOM 823 OE1 GLU A 52 -7.713 17.535 7.398 1.00 0.00 O ATOM 824 OE2 GLU A 52 -6.231 18.762 6.280 1.00 0.00 O ATOM 0 H GLU A 52 -6.162 15.905 11.549 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.999 15.882 9.715 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.547 16.118 9.354 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.351 17.800 9.806 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.566 17.965 7.959 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.077 16.372 7.436 1.00 0.00 H new ATOM 831 N ILE A 53 -4.233 18.525 11.642 1.00 0.00 N ATOM 832 CA ILE A 53 -3.569 19.722 12.110 1.00 0.00 C ATOM 833 C ILE A 53 -2.242 19.285 12.731 1.00 0.00 C ATOM 834 O ILE A 53 -1.186 19.823 12.402 1.00 0.00 O ATOM 835 CB ILE A 53 -4.475 20.486 13.098 1.00 0.00 C ATOM 836 CG1 ILE A 53 -5.886 20.802 12.552 1.00 0.00 C ATOM 837 CG2 ILE A 53 -3.801 21.814 13.475 1.00 0.00 C ATOM 838 CD1 ILE A 53 -6.864 19.622 12.528 1.00 0.00 C ATOM 0 H ILE A 53 -5.081 18.302 12.163 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.368 20.418 11.296 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.605 19.827 13.957 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.320 21.599 13.156 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.786 21.189 11.538 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.436 22.359 14.173 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.837 21.613 13.942 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.651 22.414 12.577 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.823 19.952 12.128 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.462 18.829 11.898 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.004 19.245 13.541 1.00 0.00 H new ATOM 850 N VAL A 54 -2.291 18.271 13.598 1.00 0.00 N ATOM 851 CA VAL A 54 -1.108 17.691 14.213 1.00 0.00 C ATOM 852 C VAL A 54 -0.117 17.245 13.139 1.00 0.00 C ATOM 853 O VAL A 54 1.063 17.535 13.270 1.00 0.00 O ATOM 854 CB VAL A 54 -1.497 16.567 15.189 1.00 0.00 C ATOM 855 CG1 VAL A 54 -0.263 15.853 15.757 1.00 0.00 C ATOM 856 CG2 VAL A 54 -2.284 17.165 16.361 1.00 0.00 C ATOM 0 H VAL A 54 -3.163 17.830 13.891 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.600 18.449 14.810 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.097 15.844 14.637 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.581 15.067 16.442 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.311 15.414 14.941 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.358 16.571 16.292 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.562 16.372 17.055 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.666 17.899 16.877 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.185 17.650 15.985 1.00 0.00 H new ATOM 866 N LYS A 55 -0.565 16.578 12.071 1.00 0.00 N ATOM 867 CA LYS A 55 0.301 16.233 10.946 1.00 0.00 C ATOM 868 C LYS A 55 0.942 17.491 10.355 1.00 0.00 C ATOM 869 O LYS A 55 2.164 17.556 10.219 1.00 0.00 O ATOM 870 CB LYS A 55 -0.474 15.438 9.885 1.00 0.00 C ATOM 871 CG LYS A 55 -0.130 13.941 9.868 1.00 0.00 C ATOM 872 CD LYS A 55 -0.589 13.145 11.102 1.00 0.00 C ATOM 873 CE LYS A 55 0.304 13.229 12.348 1.00 0.00 C ATOM 874 NZ LYS A 55 1.714 12.911 12.051 1.00 0.00 N ATOM 0 H LYS A 55 -1.530 16.266 11.965 1.00 0.00 H new ATOM 0 HA LYS A 55 1.105 15.593 11.310 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.543 15.555 10.064 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.267 15.861 8.902 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.577 13.493 8.981 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.950 13.835 9.769 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.587 13.487 11.375 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.678 12.097 10.817 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.242 14.232 12.770 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.069 12.541 13.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.228 12.748 12.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.760 12.055 11.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.149 13.706 11.541 1.00 0.00 H new ATOM 888 N LEU A 56 0.125 18.493 10.015 1.00 0.00 N ATOM 889 CA LEU A 56 0.627 19.753 9.479 1.00 0.00 C ATOM 890 C LEU A 56 1.701 20.365 10.389 1.00 0.00 C ATOM 891 O LEU A 56 2.703 20.863 9.879 1.00 0.00 O ATOM 892 CB LEU A 56 -0.526 20.737 9.218 1.00 0.00 C ATOM 893 CG LEU A 56 -1.353 20.382 7.969 1.00 0.00 C ATOM 894 CD1 LEU A 56 -2.702 21.110 8.013 1.00 0.00 C ATOM 895 CD2 LEU A 56 -0.615 20.792 6.687 1.00 0.00 C ATOM 0 H LEU A 56 -0.890 18.451 10.104 1.00 0.00 H new ATOM 0 HA LEU A 56 1.104 19.542 8.522 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.183 20.756 10.088 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.119 21.742 9.103 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.506 19.303 7.964 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.282 20.855 7.126 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.250 20.807 8.905 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.534 22.187 8.039 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.220 20.530 5.819 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.440 21.868 6.696 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.340 20.269 6.634 1.00 0.00 H new ATOM 907 N MET A 57 1.515 20.342 11.716 1.00 0.00 N ATOM 908 CA MET A 57 2.534 20.851 12.632 1.00 0.00 C ATOM 909 C MET A 57 3.761 19.927 12.601 1.00 0.00 C ATOM 910 O MET A 57 4.864 20.337 12.238 1.00 0.00 O ATOM 911 CB MET A 57 2.002 20.971 14.070 1.00 0.00 C ATOM 912 CG MET A 57 0.744 21.823 14.304 1.00 0.00 C ATOM 913 SD MET A 57 0.635 23.484 13.586 1.00 0.00 S ATOM 914 CE MET A 57 -0.230 23.151 12.033 1.00 0.00 C ATOM 0 H MET A 57 0.677 19.980 12.171 1.00 0.00 H new ATOM 0 HA MET A 57 2.814 21.851 12.301 1.00 0.00 H new ATOM 0 HB2 MET A 57 1.797 19.965 14.435 1.00 0.00 H new ATOM 0 HB3 MET A 57 2.801 21.378 14.689 1.00 0.00 H new ATOM 0 HG2 MET A 57 -0.108 21.253 13.935 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.616 21.926 15.382 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.707 24.065 11.679 1.00 0.00 H new ATOM 0 HE2 MET A 57 0.484 22.802 11.287 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.989 22.385 12.196 1.00 0.00 H new ATOM 924 N ASP A 58 3.541 18.665 12.989 1.00 0.00 N ATOM 925 CA ASP A 58 4.521 17.595 13.137 1.00 0.00 C ATOM 926 C ASP A 58 5.463 17.517 11.945 1.00 0.00 C ATOM 927 O ASP A 58 6.642 17.230 12.124 1.00 0.00 O ATOM 928 CB ASP A 58 3.802 16.254 13.324 1.00 0.00 C ATOM 929 CG ASP A 58 4.779 15.082 13.366 1.00 0.00 C ATOM 930 OD1 ASP A 58 5.637 15.087 14.275 1.00 0.00 O ATOM 931 OD2 ASP A 58 4.644 14.202 12.489 1.00 0.00 O ATOM 0 H ASP A 58 2.601 18.347 13.224 1.00 0.00 H new ATOM 0 HA ASP A 58 5.123 17.817 14.018 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.225 16.278 14.248 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.093 16.106 12.509 1.00 0.00 H new ATOM 936 N ASP A 59 4.950 17.781 10.743 1.00 0.00 N ATOM 937 CA ASP A 59 5.749 17.939 9.539 1.00 0.00 C ATOM 938 C ASP A 59 7.047 18.698 9.820 1.00 0.00 C ATOM 939 O ASP A 59 8.137 18.187 9.569 1.00 0.00 O ATOM 940 CB ASP A 59 4.919 18.711 8.511 1.00 0.00 C ATOM 941 CG ASP A 59 5.661 18.826 7.192 1.00 0.00 C ATOM 942 OD1 ASP A 59 5.517 17.878 6.395 1.00 0.00 O ATOM 943 OD2 ASP A 59 6.340 19.858 6.998 1.00 0.00 O ATOM 0 H ASP A 59 3.949 17.892 10.582 1.00 0.00 H new ATOM 0 HA ASP A 59 6.018 16.952 9.163 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.966 18.206 8.354 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.693 19.706 8.894 1.00 0.00 H new ATOM 948 N LEU A 60 6.928 19.911 10.367 1.00 0.00 N ATOM 949 CA LEU A 60 8.076 20.767 10.625 1.00 0.00 C ATOM 950 C LEU A 60 9.047 20.034 11.549 1.00 0.00 C ATOM 951 O LEU A 60 10.237 19.952 11.254 1.00 0.00 O ATOM 952 CB LEU A 60 7.638 22.101 11.250 1.00 0.00 C ATOM 953 CG LEU A 60 7.063 23.115 10.244 1.00 0.00 C ATOM 954 CD1 LEU A 60 5.777 22.636 9.561 1.00 0.00 C ATOM 955 CD2 LEU A 60 6.773 24.429 10.980 1.00 0.00 C ATOM 0 H LEU A 60 6.035 20.321 10.640 1.00 0.00 H new ATOM 0 HA LEU A 60 8.572 20.993 9.681 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.888 21.901 12.015 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.494 22.551 11.753 1.00 0.00 H new ATOM 0 HG LEU A 60 7.809 23.245 9.460 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.428 23.400 8.866 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.976 21.713 9.016 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.011 22.454 10.315 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.365 25.157 10.278 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.051 24.248 11.776 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.697 24.817 11.409 1.00 0.00 H new ATOM 967 N ASP A 61 8.528 19.497 12.655 1.00 0.00 N ATOM 968 CA ASP A 61 9.322 18.814 13.666 1.00 0.00 C ATOM 969 C ASP A 61 10.085 17.634 13.065 1.00 0.00 C ATOM 970 O ASP A 61 11.299 17.537 13.227 1.00 0.00 O ATOM 971 CB ASP A 61 8.428 18.342 14.823 1.00 0.00 C ATOM 972 CG ASP A 61 7.681 19.497 15.478 1.00 0.00 C ATOM 973 OD1 ASP A 61 6.628 19.875 14.919 1.00 0.00 O ATOM 974 OD2 ASP A 61 8.177 19.984 16.516 1.00 0.00 O ATOM 0 H ASP A 61 7.532 19.527 12.872 1.00 0.00 H new ATOM 0 HA ASP A 61 10.052 19.523 14.055 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.710 17.611 14.451 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.040 17.836 15.570 1.00 0.00 H new ATOM 979 N ARG A 62 9.373 16.715 12.406 1.00 0.00 N ATOM 980 CA ARG A 62 9.969 15.481 11.921 1.00 0.00 C ATOM 981 C ARG A 62 10.917 15.758 10.758 1.00 0.00 C ATOM 982 O ARG A 62 12.001 15.182 10.694 1.00 0.00 O ATOM 983 CB ARG A 62 8.909 14.406 11.610 1.00 0.00 C ATOM 984 CG ARG A 62 8.205 14.500 10.246 1.00 0.00 C ATOM 985 CD ARG A 62 7.332 13.253 10.035 1.00 0.00 C ATOM 986 NE ARG A 62 6.823 13.172 8.658 1.00 0.00 N ATOM 987 CZ ARG A 62 6.447 12.034 8.051 1.00 0.00 C ATOM 988 NH1 ARG A 62 6.459 10.862 8.692 1.00 0.00 N ATOM 989 NH2 ARG A 62 6.044 12.050 6.779 1.00 0.00 N ATOM 0 H ARG A 62 8.379 16.810 12.199 1.00 0.00 H new ATOM 0 HA ARG A 62 10.575 15.058 12.722 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.386 13.428 11.679 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.147 14.445 12.389 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.590 15.399 10.203 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.943 14.580 9.448 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.913 12.359 10.261 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.494 13.273 10.732 1.00 0.00 H new ATOM 0 HE ARG A 62 6.750 14.040 8.127 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.759 10.816 9.666 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.168 10.013 8.208 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.020 12.929 6.263 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.760 11.183 6.323 1.00 0.00 H new ATOM 1068 N GLU A 67 14.510 14.667 4.203 1.00 0.00 N ATOM 1069 CA GLU A 67 13.595 13.966 3.321 1.00 0.00 C ATOM 1070 C GLU A 67 13.073 12.719 4.033 1.00 0.00 C ATOM 1071 O GLU A 67 13.839 12.045 4.723 1.00 0.00 O ATOM 1072 CB GLU A 67 14.309 13.561 2.021 1.00 0.00 C ATOM 1073 CG GLU A 67 14.608 14.732 1.072 1.00 0.00 C ATOM 1074 CD GLU A 67 15.457 15.825 1.713 1.00 0.00 C ATOM 1075 OE1 GLU A 67 16.545 15.474 2.221 1.00 0.00 O ATOM 1076 OE2 GLU A 67 14.986 16.983 1.710 1.00 0.00 O ATOM 0 HA GLU A 67 12.764 14.624 3.069 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.246 13.066 2.274 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.694 12.830 1.495 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.122 14.353 0.189 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.667 15.165 0.732 1.00 0.00 H new ATOM 1083 N VAL A 68 11.796 12.398 3.836 1.00 0.00 N ATOM 1084 CA VAL A 68 11.194 11.145 4.262 1.00 0.00 C ATOM 1085 C VAL A 68 10.985 10.270 3.026 1.00 0.00 C ATOM 1086 O VAL A 68 10.873 10.791 1.913 1.00 0.00 O ATOM 1087 CB VAL A 68 9.878 11.400 5.014 1.00 0.00 C ATOM 1088 CG1 VAL A 68 10.103 12.201 6.299 1.00 0.00 C ATOM 1089 CG2 VAL A 68 8.793 12.041 4.152 1.00 0.00 C ATOM 0 H VAL A 68 11.139 13.019 3.364 1.00 0.00 H new ATOM 0 HA VAL A 68 11.853 10.627 4.959 1.00 0.00 H new ATOM 0 HB VAL A 68 9.506 10.412 5.287 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.148 12.360 6.801 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.772 11.649 6.959 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.549 13.165 6.054 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.894 12.191 4.750 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.145 13.003 3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.564 11.388 3.310 1.00 0.00 H new ATOM 1099 N ASN A 69 10.948 8.948 3.223 1.00 0.00 N ATOM 1100 CA ASN A 69 10.697 7.974 2.167 1.00 0.00 C ATOM 1101 C ASN A 69 9.212 7.625 2.087 1.00 0.00 C ATOM 1102 O ASN A 69 8.422 8.071 2.915 1.00 0.00 O ATOM 1103 CB ASN A 69 11.552 6.714 2.381 1.00 0.00 C ATOM 1104 CG ASN A 69 10.818 5.616 3.156 1.00 0.00 C ATOM 1105 OD1 ASN A 69 10.272 5.860 4.229 1.00 0.00 O ATOM 1106 ND2 ASN A 69 10.753 4.407 2.604 1.00 0.00 N ATOM 0 H ASN A 69 11.095 8.522 4.138 1.00 0.00 H new ATOM 0 HA ASN A 69 10.984 8.420 1.215 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.861 6.322 1.412 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.460 6.985 2.919 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.242 3.659 3.073 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.214 4.228 1.712 1.00 0.00 H new ATOM 1113 N PHE A 70 8.862 6.768 1.125 1.00 0.00 N ATOM 1114 CA PHE A 70 7.534 6.188 0.972 1.00 0.00 C ATOM 1115 C PHE A 70 6.906 5.793 2.316 1.00 0.00 C ATOM 1116 O PHE A 70 5.914 6.394 2.710 1.00 0.00 O ATOM 1117 CB PHE A 70 7.585 5.022 -0.025 1.00 0.00 C ATOM 1118 CG PHE A 70 6.258 4.326 -0.260 1.00 0.00 C ATOM 1119 CD1 PHE A 70 5.168 5.050 -0.780 1.00 0.00 C ATOM 1120 CD2 PHE A 70 6.131 2.943 -0.029 1.00 0.00 C ATOM 1121 CE1 PHE A 70 3.948 4.401 -1.036 1.00 0.00 C ATOM 1122 CE2 PHE A 70 4.912 2.295 -0.288 1.00 0.00 C ATOM 1123 CZ PHE A 70 3.815 3.026 -0.778 1.00 0.00 C ATOM 0 H PHE A 70 9.518 6.452 0.411 1.00 0.00 H new ATOM 0 HA PHE A 70 6.873 6.952 0.563 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.958 5.395 -0.979 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.306 4.287 0.334 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.270 6.106 -0.982 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.972 2.380 0.348 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.112 4.959 -1.431 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.817 1.234 -0.111 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.872 2.531 -0.956 1.00 0.00 H new ATOM 1133 N GLN A 71 7.454 4.817 3.052 1.00 0.00 N ATOM 1134 CA GLN A 71 6.792 4.386 4.288 1.00 0.00 C ATOM 1135 C GLN A 71 6.686 5.525 5.304 1.00 0.00 C ATOM 1136 O GLN A 71 5.688 5.612 6.011 1.00 0.00 O ATOM 1137 CB GLN A 71 7.422 3.131 4.909 1.00 0.00 C ATOM 1138 CG GLN A 71 6.783 2.728 6.262 1.00 0.00 C ATOM 1139 CD GLN A 71 5.257 2.552 6.267 1.00 0.00 C ATOM 1140 OE1 GLN A 71 4.572 2.947 7.209 1.00 0.00 O ATOM 1141 NE2 GLN A 71 4.702 1.939 5.227 1.00 0.00 N ATOM 0 H GLN A 71 8.320 4.328 2.825 1.00 0.00 H new ATOM 0 HA GLN A 71 5.780 4.104 3.999 1.00 0.00 H new ATOM 0 HB2 GLN A 71 7.327 2.301 4.209 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.488 3.303 5.056 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.237 1.793 6.590 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.043 3.485 7.002 1.00 0.00 H new ATOM 0 HE21 GLN A 71 5.285 1.618 4.454 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.693 1.790 5.202 1.00 0.00 H new ATOM 1150 N GLU A 72 7.678 6.407 5.408 1.00 0.00 N ATOM 1151 CA GLU A 72 7.556 7.545 6.309 1.00 0.00 C ATOM 1152 C GLU A 72 6.460 8.521 5.845 1.00 0.00 C ATOM 1153 O GLU A 72 5.778 9.122 6.677 1.00 0.00 O ATOM 1154 CB GLU A 72 8.922 8.201 6.503 1.00 0.00 C ATOM 1155 CG GLU A 72 9.865 7.340 7.356 1.00 0.00 C ATOM 1156 CD GLU A 72 9.367 7.150 8.790 1.00 0.00 C ATOM 1157 OE1 GLU A 72 8.789 8.120 9.329 1.00 0.00 O ATOM 1158 OE2 GLU A 72 9.571 6.036 9.316 1.00 0.00 O ATOM 0 H GLU A 72 8.556 6.357 4.891 1.00 0.00 H new ATOM 0 HA GLU A 72 7.228 7.196 7.288 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.378 8.380 5.529 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.792 9.173 6.978 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.982 6.364 6.885 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.851 7.804 7.378 1.00 0.00 H new ATOM 1165 N TYR A 73 6.242 8.668 4.536 1.00 0.00 N ATOM 1166 CA TYR A 73 5.071 9.376 4.023 1.00 0.00 C ATOM 1167 C TYR A 73 3.814 8.636 4.484 1.00 0.00 C ATOM 1168 O TYR A 73 2.924 9.239 5.080 1.00 0.00 O ATOM 1169 CB TYR A 73 5.126 9.519 2.492 1.00 0.00 C ATOM 1170 CG TYR A 73 3.806 9.321 1.758 1.00 0.00 C ATOM 1171 CD1 TYR A 73 2.857 10.359 1.697 1.00 0.00 C ATOM 1172 CD2 TYR A 73 3.534 8.098 1.112 1.00 0.00 C ATOM 1173 CE1 TYR A 73 1.674 10.190 0.953 1.00 0.00 C ATOM 1174 CE2 TYR A 73 2.343 7.923 0.390 1.00 0.00 C ATOM 1175 CZ TYR A 73 1.427 8.981 0.282 1.00 0.00 C ATOM 1176 OH TYR A 73 0.318 8.846 -0.500 1.00 0.00 O ATOM 0 H TYR A 73 6.863 8.305 3.813 1.00 0.00 H new ATOM 0 HA TYR A 73 5.053 10.391 4.420 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.507 10.512 2.253 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.847 8.799 2.105 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.037 11.286 2.221 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.247 7.289 1.173 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.954 10.993 0.898 1.00 0.00 H new ATOM 0 HE2 TYR A 73 2.132 6.975 -0.082 1.00 0.00 H new ATOM 0 HH TYR A 73 0.466 8.134 -1.157 1.00 0.00 H new ATOM 1186 N ILE A 74 3.751 7.324 4.240 1.00 0.00 N ATOM 1187 CA ILE A 74 2.632 6.499 4.671 1.00 0.00 C ATOM 1188 C ILE A 74 2.398 6.693 6.171 1.00 0.00 C ATOM 1189 O ILE A 74 1.255 6.783 6.594 1.00 0.00 O ATOM 1190 CB ILE A 74 2.851 5.015 4.322 1.00 0.00 C ATOM 1191 CG1 ILE A 74 2.998 4.728 2.815 1.00 0.00 C ATOM 1192 CG2 ILE A 74 1.715 4.169 4.892 1.00 0.00 C ATOM 1193 CD1 ILE A 74 1.695 4.844 2.020 1.00 0.00 C ATOM 0 H ILE A 74 4.475 6.810 3.739 1.00 0.00 H new ATOM 0 HA ILE A 74 1.739 6.817 4.132 1.00 0.00 H new ATOM 0 HB ILE A 74 3.804 4.746 4.777 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.728 5.420 2.395 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.400 3.723 2.686 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.879 3.121 4.640 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.686 4.281 5.976 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.767 4.500 4.468 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.889 4.626 0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.967 4.133 2.410 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.300 5.856 2.114 1.00 0.00 H new ATOM 1205 N THR A 75 3.455 6.795 6.977 1.00 0.00 N ATOM 1206 CA THR A 75 3.359 7.026 8.412 1.00 0.00 C ATOM 1207 C THR A 75 2.624 8.329 8.716 1.00 0.00 C ATOM 1208 O THR A 75 1.892 8.396 9.697 1.00 0.00 O ATOM 1209 CB THR A 75 4.746 6.944 9.069 1.00 0.00 C ATOM 1210 OG1 THR A 75 5.344 5.699 8.761 1.00 0.00 O ATOM 1211 CG2 THR A 75 4.665 7.043 10.595 1.00 0.00 C ATOM 0 H THR A 75 4.415 6.718 6.642 1.00 0.00 H new ATOM 0 HA THR A 75 2.757 6.233 8.855 1.00 0.00 H new ATOM 0 HB THR A 75 5.330 7.780 8.684 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.553 5.664 7.804 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.668 6.981 11.017 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.212 7.994 10.874 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.057 6.225 10.981 1.00 0.00 H new ATOM 1219 N PHE A 76 2.754 9.348 7.864 1.00 0.00 N ATOM 1220 CA PHE A 76 1.954 10.563 7.977 1.00 0.00 C ATOM 1221 C PHE A 76 0.465 10.192 7.933 1.00 0.00 C ATOM 1222 O PHE A 76 -0.317 10.571 8.804 1.00 0.00 O ATOM 1223 CB PHE A 76 2.349 11.519 6.838 1.00 0.00 C ATOM 1224 CG PHE A 76 2.247 13.001 7.135 1.00 0.00 C ATOM 1225 CD1 PHE A 76 3.209 13.599 7.970 1.00 0.00 C ATOM 1226 CD2 PHE A 76 1.394 13.812 6.364 1.00 0.00 C ATOM 1227 CE1 PHE A 76 3.337 14.998 8.016 1.00 0.00 C ATOM 1228 CE2 PHE A 76 1.513 15.211 6.420 1.00 0.00 C ATOM 1229 CZ PHE A 76 2.476 15.804 7.252 1.00 0.00 C ATOM 0 H PHE A 76 3.411 9.352 7.084 1.00 0.00 H new ATOM 0 HA PHE A 76 2.139 11.070 8.924 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.376 11.299 6.548 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.721 11.300 5.975 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.852 12.980 8.578 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.647 13.359 5.729 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.095 15.452 8.637 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.862 15.831 5.822 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.555 16.880 7.305 1.00 0.00 H new ATOM 1239 N LEU A 77 0.079 9.403 6.926 1.00 0.00 N ATOM 1240 CA LEU A 77 -1.301 8.994 6.693 1.00 0.00 C ATOM 1241 C LEU A 77 -1.793 8.015 7.767 1.00 0.00 C ATOM 1242 O LEU A 77 -2.936 8.080 8.210 1.00 0.00 O ATOM 1243 CB LEU A 77 -1.428 8.361 5.300 1.00 0.00 C ATOM 1244 CG LEU A 77 -0.868 9.223 4.155 1.00 0.00 C ATOM 1245 CD1 LEU A 77 -1.161 8.514 2.830 1.00 0.00 C ATOM 1246 CD2 LEU A 77 -1.471 10.634 4.132 1.00 0.00 C ATOM 0 H LEU A 77 0.732 9.026 6.240 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.929 9.884 6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.911 7.401 5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.480 8.156 5.102 1.00 0.00 H new ATOM 0 HG LEU A 77 0.205 9.340 4.309 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.771 9.110 2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.683 7.535 2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.238 8.392 2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.042 11.200 3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.551 10.566 4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.249 11.140 5.072 1.00 0.00 H new ATOM 1258 N GLY A 78 -0.934 7.089 8.182 1.00 0.00 N ATOM 1259 CA GLY A 78 -1.243 6.087 9.181 1.00 0.00 C ATOM 1260 C GLY A 78 -1.408 6.747 10.545 1.00 0.00 C ATOM 1261 O GLY A 78 -2.350 6.446 11.271 1.00 0.00 O ATOM 0 H GLY A 78 0.017 7.018 7.821 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.158 5.560 8.909 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.447 5.343 9.221 1.00 0.00 H new ATOM 1265 N ALA A 79 -0.524 7.685 10.884 1.00 0.00 N ATOM 1266 CA ALA A 79 -0.640 8.481 12.093 1.00 0.00 C ATOM 1267 C ALA A 79 -1.907 9.338 12.042 1.00 0.00 C ATOM 1268 O ALA A 79 -2.658 9.376 13.012 1.00 0.00 O ATOM 1269 CB ALA A 79 0.621 9.326 12.268 1.00 0.00 C ATOM 0 H ALA A 79 0.296 7.911 10.320 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.729 7.828 12.961 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.535 9.924 13.175 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.489 8.672 12.345 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.739 9.986 11.408 1.00 0.00 H new ATOM 1275 N LEU A 80 -2.173 10.007 10.914 1.00 0.00 N ATOM 1276 CA LEU A 80 -3.412 10.752 10.703 1.00 0.00 C ATOM 1277 C LEU A 80 -4.614 9.861 11.036 1.00 0.00 C ATOM 1278 O LEU A 80 -5.436 10.191 11.896 1.00 0.00 O ATOM 1279 CB LEU A 80 -3.461 11.236 9.245 1.00 0.00 C ATOM 1280 CG LEU A 80 -4.784 11.888 8.819 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -4.792 13.359 9.218 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -4.933 11.777 7.300 1.00 0.00 C ATOM 0 H LEU A 80 -1.531 10.045 10.122 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.448 11.621 11.360 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.654 11.952 9.089 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.265 10.387 8.590 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.611 11.378 9.313 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.734 13.814 8.912 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.683 13.443 10.299 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.965 13.873 8.728 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.871 12.239 6.992 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.101 12.287 6.815 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.933 10.726 7.010 1.00 0.00 H new ATOM 1294 N ALA A 81 -4.694 8.721 10.343 1.00 0.00 N ATOM 1295 CA ALA A 81 -5.717 7.716 10.549 1.00 0.00 C ATOM 1296 C ALA A 81 -5.837 7.371 12.028 1.00 0.00 C ATOM 1297 O ALA A 81 -6.936 7.436 12.576 1.00 0.00 O ATOM 1298 CB ALA A 81 -5.388 6.463 9.736 1.00 0.00 C ATOM 0 H ALA A 81 -4.030 8.475 9.609 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.673 8.116 10.212 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.162 5.712 9.896 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.343 6.718 8.677 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.425 6.065 10.055 1.00 0.00 H new ATOM 1304 N MET A 82 -4.717 6.998 12.648 1.00 0.00 N ATOM 1305 CA MET A 82 -4.653 6.577 14.034 1.00 0.00 C ATOM 1306 C MET A 82 -5.222 7.651 14.956 1.00 0.00 C ATOM 1307 O MET A 82 -6.018 7.347 15.842 1.00 0.00 O ATOM 1308 CB MET A 82 -3.207 6.209 14.395 1.00 0.00 C ATOM 1309 CG MET A 82 -3.104 5.569 15.784 1.00 0.00 C ATOM 1310 SD MET A 82 -1.428 5.164 16.343 1.00 0.00 S ATOM 1311 CE MET A 82 -0.898 4.025 15.045 1.00 0.00 C ATOM 0 H MET A 82 -3.810 6.982 12.182 1.00 0.00 H new ATOM 0 HA MET A 82 -5.270 5.689 14.171 1.00 0.00 H new ATOM 0 HB2 MET A 82 -2.812 5.520 13.649 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.587 7.105 14.362 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.555 6.246 16.510 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.699 4.655 15.788 1.00 0.00 H new ATOM 0 HE1 MET A 82 0.021 3.526 15.352 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.676 3.281 14.874 1.00 0.00 H new ATOM 0 HE3 MET A 82 -0.719 4.580 14.124 1.00 0.00 H new ATOM 1321 N ILE A 83 -4.801 8.905 14.769 1.00 0.00 N ATOM 1322 CA ILE A 83 -5.240 9.979 15.636 1.00 0.00 C ATOM 1323 C ILE A 83 -6.746 10.213 15.479 1.00 0.00 C ATOM 1324 O ILE A 83 -7.444 10.215 16.493 1.00 0.00 O ATOM 1325 CB ILE A 83 -4.403 11.259 15.466 1.00 0.00 C ATOM 1326 CG1 ILE A 83 -2.942 11.060 15.899 1.00 0.00 C ATOM 1327 CG2 ILE A 83 -4.996 12.368 16.346 1.00 0.00 C ATOM 1328 CD1 ILE A 83 -2.091 12.310 15.611 1.00 0.00 C ATOM 0 H ILE A 83 -4.161 9.191 14.028 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.067 9.670 16.667 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.425 11.521 14.408 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.905 10.832 16.964 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.520 10.203 15.374 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.407 13.278 16.230 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.025 12.561 16.044 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.977 12.054 17.390 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.064 12.132 15.930 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.107 12.523 14.542 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.499 13.161 16.156 1.00 0.00 H new ATOM 1340 N TYR A 84 -7.262 10.464 14.264 1.00 0.00 N ATOM 1341 CA TYR A 84 -8.683 10.806 14.161 1.00 0.00 C ATOM 1342 C TYR A 84 -9.606 9.592 14.334 1.00 0.00 C ATOM 1343 O TYR A 84 -10.645 9.706 14.985 1.00 0.00 O ATOM 1344 CB TYR A 84 -9.053 11.832 13.067 1.00 0.00 C ATOM 1345 CG TYR A 84 -8.644 11.664 11.612 1.00 0.00 C ATOM 1346 CD1 TYR A 84 -8.678 10.414 10.967 1.00 0.00 C ATOM 1347 CD2 TYR A 84 -8.535 12.833 10.832 1.00 0.00 C ATOM 1348 CE1 TYR A 84 -8.600 10.338 9.562 1.00 0.00 C ATOM 1349 CE2 TYR A 84 -8.415 12.757 9.436 1.00 0.00 C ATOM 1350 CZ TYR A 84 -8.476 11.512 8.796 1.00 0.00 C ATOM 1351 OH TYR A 84 -8.448 11.462 7.435 1.00 0.00 O ATOM 0 H TYR A 84 -6.746 10.439 13.385 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.899 11.410 15.042 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.140 11.919 13.077 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -8.654 12.792 13.393 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.764 9.509 11.551 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.544 13.799 11.315 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -8.635 9.376 9.072 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -8.276 13.657 8.856 1.00 0.00 H new ATOM 0 HH TYR A 84 -9.269 11.040 7.106 1.00 0.00 H new ATOM 1361 N ASN A 85 -9.223 8.405 13.853 1.00 0.00 N ATOM 1362 CA ASN A 85 -9.964 7.185 14.165 1.00 0.00 C ATOM 1363 C ASN A 85 -9.516 6.696 15.538 1.00 0.00 C ATOM 1364 O ASN A 85 -8.821 5.686 15.623 1.00 0.00 O ATOM 1365 CB ASN A 85 -9.766 6.076 13.121 1.00 0.00 C ATOM 1366 CG ASN A 85 -10.177 6.486 11.717 1.00 0.00 C ATOM 1367 OD1 ASN A 85 -11.320 6.314 11.311 1.00 0.00 O ATOM 1368 ND2 ASN A 85 -9.225 7.007 10.955 1.00 0.00 N ATOM 0 H ASN A 85 -8.411 8.266 13.252 1.00 0.00 H new ATOM 0 HA ASN A 85 -11.028 7.423 14.157 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.717 5.779 13.112 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -10.343 5.200 13.419 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.433 7.280 9.995 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.285 7.135 11.329 1.00 0.00 H new ATOM 1375 N GLU A 86 -9.941 7.403 16.592 1.00 0.00 N ATOM 1376 CA GLU A 86 -9.634 7.142 18.002 1.00 0.00 C ATOM 1377 C GLU A 86 -9.409 5.652 18.297 1.00 0.00 C ATOM 1378 O GLU A 86 -8.407 5.274 18.897 1.00 0.00 O ATOM 1379 CB GLU A 86 -10.778 7.667 18.885 1.00 0.00 C ATOM 1380 CG GLU A 86 -11.002 9.187 18.812 1.00 0.00 C ATOM 1381 CD GLU A 86 -9.910 10.019 19.484 1.00 0.00 C ATOM 1382 OE1 GLU A 86 -9.025 9.418 20.133 1.00 0.00 O ATOM 1383 OE2 GLU A 86 -9.996 11.259 19.353 1.00 0.00 O ATOM 0 H GLU A 86 -10.542 8.219 16.476 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.703 7.662 18.227 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.701 7.163 18.597 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -10.575 7.393 19.920 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.074 9.482 17.765 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.959 9.424 19.276 1.00 0.00 H new ATOM 1390 N ALA A 87 -10.357 4.817 17.857 1.00 0.00 N ATOM 1391 CA ALA A 87 -10.314 3.361 17.910 1.00 0.00 C ATOM 1392 C ALA A 87 -8.900 2.792 17.727 1.00 0.00 C ATOM 1393 O ALA A 87 -8.412 2.024 18.555 1.00 0.00 O ATOM 1394 CB ALA A 87 -11.236 2.820 16.811 1.00 0.00 C ATOM 0 H ALA A 87 -11.218 5.162 17.433 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.644 3.048 18.901 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.222 1.730 16.828 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.253 3.173 16.983 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.889 3.172 15.839 1.00 0.00 H new ATOM 1400 N LEU A 88 -8.240 3.175 16.634 1.00 0.00 N ATOM 1401 CA LEU A 88 -6.951 2.637 16.230 1.00 0.00 C ATOM 1402 C LEU A 88 -5.822 2.980 17.203 1.00 0.00 C ATOM 1403 O LEU A 88 -4.723 2.465 17.034 1.00 0.00 O ATOM 1404 CB LEU A 88 -6.597 3.142 14.827 1.00 0.00 C ATOM 1405 CG LEU A 88 -7.556 2.698 13.713 1.00 0.00 C ATOM 1406 CD1 LEU A 88 -7.075 3.315 12.395 1.00 0.00 C ATOM 1407 CD2 LEU A 88 -7.605 1.172 13.563 1.00 0.00 C ATOM 0 H LEU A 88 -8.599 3.884 15.994 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.048 1.551 16.232 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.568 4.231 14.847 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.592 2.800 14.578 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.561 3.034 13.970 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.742 3.013 11.587 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.077 4.402 12.480 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.064 2.969 12.179 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -8.297 0.907 12.763 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.610 0.798 13.321 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.943 0.725 14.498 1.00 0.00 H new ATOM 1469 N ALA B 2 -14.473 13.806 2.795 1.00 0.00 N ATOM 1470 CA ALA B 2 -13.740 12.544 2.778 1.00 0.00 C ATOM 1471 C ALA B 2 -13.085 12.335 1.409 1.00 0.00 C ATOM 1472 O ALA B 2 -13.665 11.730 0.510 1.00 0.00 O ATOM 1473 CB ALA B 2 -14.690 11.393 3.123 1.00 0.00 C ATOM 0 HA ALA B 2 -12.948 12.570 3.527 1.00 0.00 H new ATOM 0 HB1 ALA B 2 -14.141 10.452 3.110 1.00 0.00 H new ATOM 0 HB2 ALA B 2 -15.111 11.554 4.116 1.00 0.00 H new ATOM 0 HB3 ALA B 2 -15.495 11.354 2.389 1.00 0.00 H new ATOM 1479 N SER B 3 -11.886 12.886 1.247 1.00 0.00 N ATOM 1480 CA SER B 3 -11.190 12.986 -0.021 1.00 0.00 C ATOM 1481 C SER B 3 -10.696 11.607 -0.492 1.00 0.00 C ATOM 1482 O SER B 3 -10.722 10.655 0.289 1.00 0.00 O ATOM 1483 CB SER B 3 -10.041 13.988 0.169 1.00 0.00 C ATOM 1484 OG SER B 3 -10.254 14.834 1.293 1.00 0.00 O ATOM 0 H SER B 3 -11.359 13.287 2.023 1.00 0.00 H new ATOM 0 HA SER B 3 -11.858 13.341 -0.806 1.00 0.00 H new ATOM 0 HB2 SER B 3 -9.104 13.446 0.295 1.00 0.00 H new ATOM 0 HB3 SER B 3 -9.938 14.597 -0.729 1.00 0.00 H new ATOM 0 HG SER B 3 -9.828 15.702 1.134 1.00 0.00 H new ATOM 1490 N PRO B 4 -10.204 11.479 -1.739 1.00 0.00 N ATOM 1491 CA PRO B 4 -9.700 10.220 -2.276 1.00 0.00 C ATOM 1492 C PRO B 4 -8.715 9.533 -1.327 1.00 0.00 C ATOM 1493 O PRO B 4 -8.869 8.353 -1.018 1.00 0.00 O ATOM 1494 CB PRO B 4 -9.060 10.566 -3.624 1.00 0.00 C ATOM 1495 CG PRO B 4 -9.852 11.797 -4.064 1.00 0.00 C ATOM 1496 CD PRO B 4 -10.116 12.525 -2.746 1.00 0.00 C ATOM 0 HA PRO B 4 -10.507 9.498 -2.398 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -7.997 10.783 -3.524 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -9.153 9.748 -4.338 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -9.284 12.415 -4.760 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -10.780 11.522 -4.566 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.313 13.225 -2.516 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -11.039 13.103 -2.794 1.00 0.00 H new ATOM 1504 N LEU B 5 -7.725 10.284 -0.827 1.00 0.00 N ATOM 1505 CA LEU B 5 -6.827 9.780 0.201 1.00 0.00 C ATOM 1506 C LEU B 5 -7.598 9.244 1.406 1.00 0.00 C ATOM 1507 O LEU B 5 -7.330 8.132 1.843 1.00 0.00 O ATOM 1508 CB LEU B 5 -5.828 10.854 0.663 1.00 0.00 C ATOM 1509 CG LEU B 5 -4.402 10.753 0.100 1.00 0.00 C ATOM 1510 CD1 LEU B 5 -3.532 11.758 0.870 1.00 0.00 C ATOM 1511 CD2 LEU B 5 -3.785 9.357 0.283 1.00 0.00 C ATOM 0 H LEU B 5 -7.532 11.241 -1.122 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.269 8.960 -0.251 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -6.231 11.831 0.397 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -5.768 10.819 1.751 1.00 0.00 H new ATOM 0 HG LEU B 5 -4.445 10.957 -0.970 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -2.509 11.715 0.497 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -3.927 12.764 0.729 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -3.542 11.509 1.931 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -2.778 9.347 -0.134 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.741 9.115 1.345 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -4.398 8.618 -0.232 1.00 0.00 H new ATOM 1523 N ASP B 6 -8.534 10.019 1.961 1.00 0.00 N ATOM 1524 CA ASP B 6 -9.266 9.589 3.148 1.00 0.00 C ATOM 1525 C ASP B 6 -10.012 8.287 2.867 1.00 0.00 C ATOM 1526 O ASP B 6 -10.023 7.390 3.704 1.00 0.00 O ATOM 1527 CB ASP B 6 -10.233 10.671 3.636 1.00 0.00 C ATOM 1528 CG ASP B 6 -10.903 10.250 4.941 1.00 0.00 C ATOM 1529 OD1 ASP B 6 -10.156 10.035 5.922 1.00 0.00 O ATOM 1530 OD2 ASP B 6 -12.149 10.159 4.935 1.00 0.00 O ATOM 0 H ASP B 6 -8.799 10.939 1.609 1.00 0.00 H new ATOM 0 HA ASP B 6 -8.541 9.415 3.943 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -9.694 11.607 3.784 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -10.992 10.857 2.876 1.00 0.00 H new ATOM 1535 N GLN B 7 -10.618 8.172 1.685 1.00 0.00 N ATOM 1536 CA GLN B 7 -11.302 6.959 1.264 1.00 0.00 C ATOM 1537 C GLN B 7 -10.320 5.780 1.190 1.00 0.00 C ATOM 1538 O GLN B 7 -10.580 4.713 1.741 1.00 0.00 O ATOM 1539 CB GLN B 7 -12.007 7.220 -0.074 1.00 0.00 C ATOM 1540 CG GLN B 7 -12.994 6.099 -0.420 1.00 0.00 C ATOM 1541 CD GLN B 7 -13.664 6.341 -1.768 1.00 0.00 C ATOM 1542 OE1 GLN B 7 -13.523 5.546 -2.691 1.00 0.00 O ATOM 1543 NE2 GLN B 7 -14.399 7.442 -1.900 1.00 0.00 N ATOM 0 H GLN B 7 -10.646 8.922 0.994 1.00 0.00 H new ATOM 0 HA GLN B 7 -12.059 6.684 1.998 1.00 0.00 H new ATOM 0 HB2 GLN B 7 -12.538 8.171 -0.027 1.00 0.00 H new ATOM 0 HB3 GLN B 7 -11.264 7.309 -0.866 1.00 0.00 H new ATOM 0 HG2 GLN B 7 -12.469 5.144 -0.440 1.00 0.00 H new ATOM 0 HG3 GLN B 7 -13.754 6.029 0.358 1.00 0.00 H new ATOM 0 HE21 GLN B 7 -14.499 8.086 -1.115 1.00 0.00 H new ATOM 0 HE22 GLN B 7 -14.863 7.642 -2.786 1.00 0.00 H new ATOM 1552 N ALA B 8 -9.188 5.968 0.509 1.00 0.00 N ATOM 1553 CA ALA B 8 -8.164 4.940 0.344 1.00 0.00 C ATOM 1554 C ALA B 8 -7.608 4.487 1.704 1.00 0.00 C ATOM 1555 O ALA B 8 -7.486 3.294 1.985 1.00 0.00 O ATOM 1556 CB ALA B 8 -7.063 5.495 -0.555 1.00 0.00 C ATOM 0 H ALA B 8 -8.956 6.850 0.052 1.00 0.00 H new ATOM 0 HA ALA B 8 -8.600 4.057 -0.123 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -6.288 4.740 -0.690 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -7.484 5.760 -1.525 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -6.629 6.382 -0.093 1.00 0.00 H new ATOM 1562 N ILE B 9 -7.293 5.447 2.571 1.00 0.00 N ATOM 1563 CA ILE B 9 -6.914 5.196 3.953 1.00 0.00 C ATOM 1564 C ILE B 9 -8.029 4.386 4.621 1.00 0.00 C ATOM 1565 O ILE B 9 -7.765 3.339 5.202 1.00 0.00 O ATOM 1566 CB ILE B 9 -6.628 6.538 4.658 1.00 0.00 C ATOM 1567 CG1 ILE B 9 -5.347 7.174 4.084 1.00 0.00 C ATOM 1568 CG2 ILE B 9 -6.481 6.357 6.170 1.00 0.00 C ATOM 1569 CD1 ILE B 9 -5.214 8.655 4.451 1.00 0.00 C ATOM 0 H ILE B 9 -7.295 6.437 2.325 1.00 0.00 H new ATOM 0 HA ILE B 9 -5.997 4.610 4.018 1.00 0.00 H new ATOM 0 HB ILE B 9 -7.477 7.197 4.476 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -4.478 6.631 4.455 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -5.348 7.070 2.999 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -6.280 7.323 6.634 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -7.403 5.943 6.578 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -5.655 5.676 6.376 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -4.295 9.055 4.022 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -6.068 9.206 4.057 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -5.184 8.760 5.536 1.00 0.00 H new ATOM 1581 N GLY B 10 -9.274 4.853 4.499 1.00 0.00 N ATOM 1582 CA GLY B 10 -10.475 4.174 4.959 1.00 0.00 C ATOM 1583 C GLY B 10 -10.489 2.703 4.551 1.00 0.00 C ATOM 1584 O GLY B 10 -10.745 1.835 5.379 1.00 0.00 O ATOM 0 H GLY B 10 -9.475 5.751 4.059 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -10.542 4.250 6.044 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -11.353 4.673 4.549 1.00 0.00 H new ATOM 1588 N LEU B 11 -10.194 2.412 3.284 1.00 0.00 N ATOM 1589 CA LEU B 11 -10.045 1.048 2.790 1.00 0.00 C ATOM 1590 C LEU B 11 -8.997 0.276 3.606 1.00 0.00 C ATOM 1591 O LEU B 11 -9.306 -0.789 4.141 1.00 0.00 O ATOM 1592 CB LEU B 11 -9.741 1.077 1.281 1.00 0.00 C ATOM 1593 CG LEU B 11 -11.018 0.987 0.431 1.00 0.00 C ATOM 1594 CD1 LEU B 11 -10.879 1.791 -0.867 1.00 0.00 C ATOM 1595 CD2 LEU B 11 -11.303 -0.481 0.092 1.00 0.00 C ATOM 0 H LEU B 11 -10.051 3.124 2.568 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.981 0.505 2.923 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -9.208 1.996 1.037 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -9.079 0.248 1.029 1.00 0.00 H new ATOM 0 HG LEU B 11 -11.842 1.406 1.008 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -11.798 1.708 -1.447 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -10.694 2.838 -0.628 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -10.046 1.399 -1.450 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -12.209 -0.546 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -10.464 -0.895 -0.468 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -11.439 -1.047 1.013 1.00 0.00 H new ATOM 1607 N LEU B 12 -7.769 0.793 3.734 1.00 0.00 N ATOM 1608 CA LEU B 12 -6.720 0.114 4.506 1.00 0.00 C ATOM 1609 C LEU B 12 -7.148 -0.114 5.964 1.00 0.00 C ATOM 1610 O LEU B 12 -6.915 -1.192 6.521 1.00 0.00 O ATOM 1611 CB LEU B 12 -5.382 0.874 4.427 1.00 0.00 C ATOM 1612 CG LEU B 12 -4.509 0.442 3.233 1.00 0.00 C ATOM 1613 CD1 LEU B 12 -5.191 0.714 1.894 1.00 0.00 C ATOM 1614 CD2 LEU B 12 -3.172 1.189 3.250 1.00 0.00 C ATOM 0 H LEU B 12 -7.477 1.676 3.315 1.00 0.00 H new ATOM 0 HA LEU B 12 -6.569 -0.866 4.054 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -5.582 1.943 4.355 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -4.826 0.716 5.351 1.00 0.00 H new ATOM 0 HG LEU B 12 -4.350 -0.631 3.336 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -4.539 0.394 1.082 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -6.130 0.162 1.845 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -5.392 1.781 1.798 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -2.567 0.872 2.400 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -3.354 2.262 3.186 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -2.642 0.965 4.176 1.00 0.00 H new ATOM 1626 N ILE B 13 -7.773 0.893 6.586 1.00 0.00 N ATOM 1627 CA ILE B 13 -8.355 0.771 7.922 1.00 0.00 C ATOM 1628 C ILE B 13 -9.376 -0.367 7.948 1.00 0.00 C ATOM 1629 O ILE B 13 -9.294 -1.242 8.803 1.00 0.00 O ATOM 1630 CB ILE B 13 -8.996 2.095 8.387 1.00 0.00 C ATOM 1631 CG1 ILE B 13 -7.929 3.190 8.549 1.00 0.00 C ATOM 1632 CG2 ILE B 13 -9.755 1.889 9.711 1.00 0.00 C ATOM 1633 CD1 ILE B 13 -8.567 4.557 8.815 1.00 0.00 C ATOM 0 H ILE B 13 -7.888 1.818 6.172 1.00 0.00 H new ATOM 0 HA ILE B 13 -7.551 0.539 8.620 1.00 0.00 H new ATOM 0 HB ILE B 13 -9.705 2.417 7.624 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -7.262 2.932 9.372 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -7.318 3.241 7.648 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -10.201 2.833 10.025 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -10.540 1.146 9.569 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -9.062 1.542 10.478 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -7.785 5.308 8.925 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -9.214 4.825 7.980 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -9.157 4.511 9.730 1.00 0.00 H new ATOM 1645 N GLY B 14 -10.348 -0.351 7.035 1.00 0.00 N ATOM 1646 CA GLY B 14 -11.405 -1.347 6.960 1.00 0.00 C ATOM 1647 C GLY B 14 -10.809 -2.745 6.870 1.00 0.00 C ATOM 1648 O GLY B 14 -11.170 -3.631 7.644 1.00 0.00 O ATOM 0 H GLY B 14 -10.419 0.369 6.316 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -12.046 -1.274 7.839 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -12.033 -1.156 6.090 1.00 0.00 H new ATOM 1652 N ILE B 15 -9.865 -2.931 5.948 1.00 0.00 N ATOM 1653 CA ILE B 15 -9.140 -4.183 5.811 1.00 0.00 C ATOM 1654 C ILE B 15 -8.490 -4.569 7.144 1.00 0.00 C ATOM 1655 O ILE B 15 -8.591 -5.720 7.558 1.00 0.00 O ATOM 1656 CB ILE B 15 -8.113 -4.077 4.673 1.00 0.00 C ATOM 1657 CG1 ILE B 15 -8.787 -3.937 3.292 1.00 0.00 C ATOM 1658 CG2 ILE B 15 -7.168 -5.283 4.715 1.00 0.00 C ATOM 1659 CD1 ILE B 15 -9.332 -5.246 2.706 1.00 0.00 C ATOM 0 H ILE B 15 -9.585 -2.215 5.278 1.00 0.00 H new ATOM 0 HA ILE B 15 -9.837 -4.979 5.549 1.00 0.00 H new ATOM 0 HB ILE B 15 -7.532 -3.167 4.824 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -9.607 -3.223 3.374 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -8.066 -3.515 2.592 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -6.441 -5.204 3.906 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -6.646 -5.303 5.672 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -7.744 -6.201 4.597 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -9.787 -5.049 1.735 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -8.516 -5.959 2.586 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -10.081 -5.662 3.380 1.00 0.00 H new ATOM 1671 N PHE B 16 -7.831 -3.628 7.830 1.00 0.00 N ATOM 1672 CA PHE B 16 -7.264 -3.925 9.139 1.00 0.00 C ATOM 1673 C PHE B 16 -8.357 -4.427 10.084 1.00 0.00 C ATOM 1674 O PHE B 16 -8.271 -5.535 10.606 1.00 0.00 O ATOM 1675 CB PHE B 16 -6.550 -2.701 9.725 1.00 0.00 C ATOM 1676 CG PHE B 16 -5.716 -2.998 10.958 1.00 0.00 C ATOM 1677 CD1 PHE B 16 -4.594 -3.842 10.859 1.00 0.00 C ATOM 1678 CD2 PHE B 16 -6.018 -2.385 12.189 1.00 0.00 C ATOM 1679 CE1 PHE B 16 -3.736 -4.010 11.959 1.00 0.00 C ATOM 1680 CE2 PHE B 16 -5.170 -2.574 13.295 1.00 0.00 C ATOM 1681 CZ PHE B 16 -4.021 -3.374 13.177 1.00 0.00 C ATOM 0 H PHE B 16 -7.682 -2.673 7.504 1.00 0.00 H new ATOM 0 HA PHE B 16 -6.519 -4.712 9.020 1.00 0.00 H new ATOM 0 HB2 PHE B 16 -5.905 -2.269 8.959 1.00 0.00 H new ATOM 0 HB3 PHE B 16 -7.295 -1.946 9.977 1.00 0.00 H new ATOM 0 HD1 PHE B 16 -4.392 -4.362 9.934 1.00 0.00 H new ATOM 0 HD2 PHE B 16 -6.901 -1.770 12.284 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -2.856 -4.629 11.867 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -5.403 -2.103 14.238 1.00 0.00 H new ATOM 0 HZ PHE B 16 -3.359 -3.499 14.021 1.00 0.00 H new ATOM 1691 N HIS B 17 -9.398 -3.614 10.285 1.00 0.00 N ATOM 1692 CA HIS B 17 -10.508 -3.902 11.182 1.00 0.00 C ATOM 1693 C HIS B 17 -11.104 -5.279 10.896 1.00 0.00 C ATOM 1694 O HIS B 17 -11.434 -6.003 11.835 1.00 0.00 O ATOM 1695 CB HIS B 17 -11.567 -2.796 11.066 1.00 0.00 C ATOM 1696 CG HIS B 17 -12.659 -2.862 12.110 1.00 0.00 C ATOM 1697 ND1 HIS B 17 -13.207 -4.001 12.662 1.00 0.00 N ATOM 1698 CD2 HIS B 17 -13.282 -1.788 12.689 1.00 0.00 C ATOM 1699 CE1 HIS B 17 -14.130 -3.616 13.560 1.00 0.00 C ATOM 1700 NE2 HIS B 17 -14.212 -2.277 13.611 1.00 0.00 N ATOM 0 H HIS B 17 -9.489 -2.714 9.813 1.00 0.00 H new ATOM 0 HA HIS B 17 -10.138 -3.921 12.207 1.00 0.00 H new ATOM 0 HB2 HIS B 17 -11.072 -1.827 11.137 1.00 0.00 H new ATOM 0 HB3 HIS B 17 -12.023 -2.849 10.077 1.00 0.00 H new ATOM 0 HD1 HIS B 17 -12.957 -4.962 12.430 1.00 0.00 H new ATOM 0 HD2 HIS B 17 -13.089 -0.748 12.472 1.00 0.00 H new ATOM 0 HE1 HIS B 17 -14.724 -4.291 14.158 1.00 0.00 H new ATOM 1708 N LYS B 18 -11.250 -5.635 9.618 1.00 0.00 N ATOM 1709 CA LYS B 18 -11.806 -6.907 9.178 1.00 0.00 C ATOM 1710 C LYS B 18 -11.145 -8.105 9.877 1.00 0.00 C ATOM 1711 O LYS B 18 -11.820 -9.107 10.102 1.00 0.00 O ATOM 1712 CB LYS B 18 -11.705 -6.988 7.647 1.00 0.00 C ATOM 1713 CG LYS B 18 -12.349 -8.247 7.051 1.00 0.00 C ATOM 1714 CD LYS B 18 -12.256 -8.193 5.519 1.00 0.00 C ATOM 1715 CE LYS B 18 -12.655 -9.524 4.874 1.00 0.00 C ATOM 1716 NZ LYS B 18 -14.052 -9.883 5.173 1.00 0.00 N ATOM 0 H LYS B 18 -10.977 -5.029 8.845 1.00 0.00 H new ATOM 0 HA LYS B 18 -12.857 -6.956 9.464 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -12.180 -6.108 7.214 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -10.654 -6.957 7.359 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -11.845 -9.138 7.425 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -13.392 -8.316 7.361 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -12.903 -7.400 5.144 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -11.237 -7.939 5.226 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -12.520 -9.459 3.794 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -11.993 -10.313 5.231 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -14.288 -10.781 4.705 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -14.171 -9.987 6.201 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -14.685 -9.135 4.825 1.00 0.00 H new ATOM 1730 N TYR B 19 -9.851 -8.015 10.215 1.00 0.00 N ATOM 1731 CA TYR B 19 -9.118 -9.083 10.892 1.00 0.00 C ATOM 1732 C TYR B 19 -8.711 -8.648 12.304 1.00 0.00 C ATOM 1733 O TYR B 19 -9.026 -9.318 13.283 1.00 0.00 O ATOM 1734 CB TYR B 19 -7.909 -9.502 10.045 1.00 0.00 C ATOM 1735 CG TYR B 19 -8.281 -10.186 8.739 1.00 0.00 C ATOM 1736 CD1 TYR B 19 -8.661 -9.415 7.626 1.00 0.00 C ATOM 1737 CD2 TYR B 19 -8.278 -11.591 8.642 1.00 0.00 C ATOM 1738 CE1 TYR B 19 -9.003 -10.039 6.414 1.00 0.00 C ATOM 1739 CE2 TYR B 19 -8.646 -12.215 7.435 1.00 0.00 C ATOM 1740 CZ TYR B 19 -8.995 -11.441 6.319 1.00 0.00 C ATOM 1741 OH TYR B 19 -9.352 -12.059 5.158 1.00 0.00 O ATOM 0 H TYR B 19 -9.283 -7.190 10.023 1.00 0.00 H new ATOM 0 HA TYR B 19 -9.766 -9.953 11.002 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -7.309 -8.619 9.824 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -7.283 -10.175 10.631 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -8.690 -8.338 7.703 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -7.993 -12.190 9.494 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -9.272 -9.441 5.556 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -8.660 -13.293 7.368 1.00 0.00 H new ATOM 0 HH TYR B 19 -9.324 -11.413 4.422 1.00 0.00 H new ATOM 1751 N SER B 20 -8.007 -7.520 12.413 1.00 0.00 N ATOM 1752 CA SER B 20 -7.514 -6.982 13.674 1.00 0.00 C ATOM 1753 C SER B 20 -8.662 -6.693 14.639 1.00 0.00 C ATOM 1754 O SER B 20 -8.550 -6.942 15.840 1.00 0.00 O ATOM 1755 CB SER B 20 -6.685 -5.715 13.423 1.00 0.00 C ATOM 1756 OG SER B 20 -5.840 -5.467 14.528 1.00 0.00 O ATOM 0 H SER B 20 -7.760 -6.945 11.607 1.00 0.00 H new ATOM 0 HA SER B 20 -6.874 -7.733 14.136 1.00 0.00 H new ATOM 0 HB2 SER B 20 -6.089 -5.833 12.518 1.00 0.00 H new ATOM 0 HB3 SER B 20 -7.346 -4.863 13.261 1.00 0.00 H new ATOM 0 HG SER B 20 -5.239 -4.722 14.319 1.00 0.00 H new ATOM 1847 N HIS B 27 -5.957 -2.465 17.997 1.00 0.00 N ATOM 1848 CA HIS B 27 -4.859 -1.757 17.347 1.00 0.00 C ATOM 1849 C HIS B 27 -3.716 -2.732 17.015 1.00 0.00 C ATOM 1850 O HIS B 27 -2.848 -2.398 16.208 1.00 0.00 O ATOM 1851 CB HIS B 27 -4.408 -0.626 18.293 1.00 0.00 C ATOM 1852 CG HIS B 27 -3.175 0.177 17.940 1.00 0.00 C ATOM 1853 ND1 HIS B 27 -2.477 0.975 18.819 1.00 0.00 N ATOM 1854 CD2 HIS B 27 -2.643 0.399 16.698 1.00 0.00 C ATOM 1855 CE1 HIS B 27 -1.512 1.604 18.129 1.00 0.00 C ATOM 1856 NE2 HIS B 27 -1.551 1.264 16.829 1.00 0.00 N ATOM 0 HA HIS B 27 -5.177 -1.324 16.399 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -5.239 0.073 18.390 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -4.244 -1.066 19.277 1.00 0.00 H new ATOM 0 HD1 HIS B 27 -2.661 1.071 19.818 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -3.006 -0.023 15.772 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -0.800 2.291 18.561 1.00 0.00 H new ATOM 1864 N THR B 28 -3.726 -3.936 17.595 1.00 0.00 N ATOM 1865 CA THR B 28 -2.711 -4.961 17.396 1.00 0.00 C ATOM 1866 C THR B 28 -3.295 -6.272 16.867 1.00 0.00 C ATOM 1867 O THR B 28 -4.443 -6.603 17.148 1.00 0.00 O ATOM 1868 CB THR B 28 -1.952 -5.208 18.707 1.00 0.00 C ATOM 1869 OG1 THR B 28 -2.836 -5.476 19.776 1.00 0.00 O ATOM 1870 CG2 THR B 28 -1.068 -4.018 19.088 1.00 0.00 C ATOM 0 H THR B 28 -4.465 -4.228 18.234 1.00 0.00 H new ATOM 0 HA THR B 28 -2.023 -4.591 16.636 1.00 0.00 H new ATOM 0 HB THR B 28 -1.321 -6.079 18.531 1.00 0.00 H new ATOM 0 HG1 THR B 28 -2.321 -5.630 20.595 1.00 0.00 H new ATOM 0 HG21 THR B 28 -0.549 -4.235 20.022 1.00 0.00 H new ATOM 0 HG22 THR B 28 -0.337 -3.840 18.299 1.00 0.00 H new ATOM 0 HG23 THR B 28 -1.688 -3.130 19.215 1.00 0.00 H new ATOM 1878 N LEU B 29 -2.464 -7.035 16.150 1.00 0.00 N ATOM 1879 CA LEU B 29 -2.729 -8.403 15.710 1.00 0.00 C ATOM 1880 C LEU B 29 -1.380 -9.100 15.498 1.00 0.00 C ATOM 1881 O LEU B 29 -0.353 -8.507 15.824 1.00 0.00 O ATOM 1882 CB LEU B 29 -3.643 -8.419 14.472 1.00 0.00 C ATOM 1883 CG LEU B 29 -3.304 -7.426 13.345 1.00 0.00 C ATOM 1884 CD1 LEU B 29 -1.822 -7.383 12.976 1.00 0.00 C ATOM 1885 CD2 LEU B 29 -4.090 -7.791 12.082 1.00 0.00 C ATOM 0 H LEU B 29 -1.549 -6.699 15.849 1.00 0.00 H new ATOM 0 HA LEU B 29 -3.281 -8.959 16.468 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -3.630 -9.425 14.053 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -4.664 -8.224 14.801 1.00 0.00 H new ATOM 0 HG LEU B 29 -3.576 -6.443 13.729 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -1.667 -6.660 12.175 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.238 -7.089 13.848 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -1.502 -8.369 12.641 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -3.848 -7.086 11.286 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -3.824 -8.800 11.767 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.158 -7.747 12.293 1.00 0.00 H new ATOM 1897 N SER B 30 -1.335 -10.339 14.989 1.00 0.00 N ATOM 1898 CA SER B 30 -0.074 -11.055 14.814 1.00 0.00 C ATOM 1899 C SER B 30 -0.086 -11.981 13.592 1.00 0.00 C ATOM 1900 O SER B 30 -0.965 -11.906 12.731 1.00 0.00 O ATOM 1901 CB SER B 30 0.274 -11.805 16.113 1.00 0.00 C ATOM 1902 OG SER B 30 1.614 -12.272 16.115 1.00 0.00 O ATOM 0 H SER B 30 -2.159 -10.862 14.693 1.00 0.00 H new ATOM 0 HA SER B 30 0.710 -10.325 14.612 1.00 0.00 H new ATOM 0 HB2 SER B 30 0.119 -11.144 16.966 1.00 0.00 H new ATOM 0 HB3 SER B 30 -0.404 -12.649 16.237 1.00 0.00 H new ATOM 0 HG SER B 30 2.154 -11.718 15.514 1.00 0.00 H new ATOM 1908 N LYS B 31 0.932 -12.847 13.536 1.00 0.00 N ATOM 1909 CA LYS B 31 1.316 -13.698 12.421 1.00 0.00 C ATOM 1910 C LYS B 31 0.125 -14.313 11.686 1.00 0.00 C ATOM 1911 O LYS B 31 0.004 -14.156 10.475 1.00 0.00 O ATOM 1912 CB LYS B 31 2.362 -14.735 12.876 1.00 0.00 C ATOM 1913 CG LYS B 31 1.990 -15.538 14.134 1.00 0.00 C ATOM 1914 CD LYS B 31 3.042 -16.608 14.469 1.00 0.00 C ATOM 1915 CE LYS B 31 4.380 -16.055 14.981 1.00 0.00 C ATOM 1916 NZ LYS B 31 4.232 -15.328 16.255 1.00 0.00 N ATOM 0 H LYS B 31 1.553 -12.976 14.335 1.00 0.00 H new ATOM 0 HA LYS B 31 1.788 -13.065 11.670 1.00 0.00 H new ATOM 0 HB2 LYS B 31 2.536 -15.434 12.058 1.00 0.00 H new ATOM 0 HB3 LYS B 31 3.304 -14.219 13.060 1.00 0.00 H new ATOM 0 HG2 LYS B 31 1.883 -14.858 14.979 1.00 0.00 H new ATOM 0 HG3 LYS B 31 1.022 -16.016 13.985 1.00 0.00 H new ATOM 0 HD2 LYS B 31 2.630 -17.280 15.222 1.00 0.00 H new ATOM 0 HD3 LYS B 31 3.229 -17.206 13.577 1.00 0.00 H new ATOM 0 HE2 LYS B 31 5.084 -16.877 15.113 1.00 0.00 H new ATOM 0 HE3 LYS B 31 4.806 -15.388 14.232 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 5.173 -15.106 16.639 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 3.707 -14.445 16.092 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 3.712 -15.920 16.934 1.00 0.00 H new ATOM 1930 N LYS B 32 -0.768 -14.994 12.407 1.00 0.00 N ATOM 1931 CA LYS B 32 -1.928 -15.640 11.823 1.00 0.00 C ATOM 1932 C LYS B 32 -2.781 -14.630 11.054 1.00 0.00 C ATOM 1933 O LYS B 32 -3.127 -14.852 9.892 1.00 0.00 O ATOM 1934 CB LYS B 32 -2.705 -16.305 12.962 1.00 0.00 C ATOM 1935 CG LYS B 32 -3.902 -17.114 12.459 1.00 0.00 C ATOM 1936 CD LYS B 32 -4.503 -17.939 13.601 1.00 0.00 C ATOM 1937 CE LYS B 32 -5.229 -17.063 14.630 1.00 0.00 C ATOM 1938 NZ LYS B 32 -5.933 -17.881 15.631 1.00 0.00 N ATOM 0 H LYS B 32 -0.699 -15.109 13.418 1.00 0.00 H new ATOM 0 HA LYS B 32 -1.629 -16.396 11.098 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -2.036 -16.960 13.520 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -3.053 -15.540 13.656 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -4.657 -16.443 12.050 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -3.589 -17.774 11.650 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -5.201 -18.669 13.191 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -3.711 -18.499 14.098 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -4.510 -16.414 15.129 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -5.942 -16.416 14.120 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -6.413 -17.259 16.312 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -6.636 -18.482 15.156 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -5.248 -18.480 16.134 1.00 0.00 H new ATOM 1952 N GLU B 33 -3.108 -13.510 11.703 1.00 0.00 N ATOM 1953 CA GLU B 33 -3.952 -12.487 11.113 1.00 0.00 C ATOM 1954 C GLU B 33 -3.243 -11.855 9.917 1.00 0.00 C ATOM 1955 O GLU B 33 -3.892 -11.545 8.926 1.00 0.00 O ATOM 1956 CB GLU B 33 -4.328 -11.412 12.137 1.00 0.00 C ATOM 1957 CG GLU B 33 -5.184 -11.930 13.306 1.00 0.00 C ATOM 1958 CD GLU B 33 -4.393 -12.757 14.314 1.00 0.00 C ATOM 1959 OE1 GLU B 33 -3.291 -12.297 14.685 1.00 0.00 O ATOM 1960 OE2 GLU B 33 -4.891 -13.842 14.681 1.00 0.00 O ATOM 0 H GLU B 33 -2.793 -13.294 12.649 1.00 0.00 H new ATOM 0 HA GLU B 33 -4.874 -12.961 10.776 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -3.415 -10.971 12.537 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -4.871 -10.615 11.629 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -5.637 -11.082 13.819 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -5.999 -12.536 12.910 1.00 0.00 H new ATOM 1967 N LEU B 34 -1.926 -11.652 9.999 1.00 0.00 N ATOM 1968 CA LEU B 34 -1.151 -11.068 8.907 1.00 0.00 C ATOM 1969 C LEU B 34 -1.116 -11.997 7.693 1.00 0.00 C ATOM 1970 O LEU B 34 -1.410 -11.571 6.574 1.00 0.00 O ATOM 1971 CB LEU B 34 0.267 -10.755 9.382 1.00 0.00 C ATOM 1972 CG LEU B 34 0.280 -9.627 10.423 1.00 0.00 C ATOM 1973 CD1 LEU B 34 1.585 -9.720 11.213 1.00 0.00 C ATOM 1974 CD2 LEU B 34 0.150 -8.251 9.756 1.00 0.00 C ATOM 0 H LEU B 34 -1.371 -11.887 10.822 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.637 -10.141 8.602 1.00 0.00 H new ATOM 0 HB2 LEU B 34 0.713 -11.652 9.811 1.00 0.00 H new ATOM 0 HB3 LEU B 34 0.882 -10.470 8.529 1.00 0.00 H new ATOM 0 HG LEU B 34 -0.573 -9.740 11.092 1.00 0.00 H new ATOM 0 HD11 LEU B 34 1.616 -8.927 11.960 1.00 0.00 H new ATOM 0 HD12 LEU B 34 1.641 -10.688 11.710 1.00 0.00 H new ATOM 0 HD13 LEU B 34 2.430 -9.611 10.533 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.162 -7.474 10.520 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.983 -8.099 9.070 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -0.788 -8.202 9.204 1.00 0.00 H new ATOM 1986 N LYS B 35 -0.751 -13.264 7.908 1.00 0.00 N ATOM 1987 CA LYS B 35 -0.748 -14.273 6.859 1.00 0.00 C ATOM 1988 C LYS B 35 -2.132 -14.336 6.213 1.00 0.00 C ATOM 1989 O LYS B 35 -2.243 -14.276 4.988 1.00 0.00 O ATOM 1990 CB LYS B 35 -0.326 -15.639 7.421 1.00 0.00 C ATOM 1991 CG LYS B 35 1.168 -15.682 7.771 1.00 0.00 C ATOM 1992 CD LYS B 35 1.527 -17.067 8.325 1.00 0.00 C ATOM 1993 CE LYS B 35 2.994 -17.160 8.763 1.00 0.00 C ATOM 1994 NZ LYS B 35 3.927 -16.914 7.647 1.00 0.00 N ATOM 0 H LYS B 35 -0.450 -13.614 8.818 1.00 0.00 H new ATOM 0 HA LYS B 35 -0.020 -14.000 6.095 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -0.913 -15.861 8.312 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -0.549 -16.416 6.690 1.00 0.00 H new ATOM 0 HG2 LYS B 35 1.766 -15.467 6.885 1.00 0.00 H new ATOM 0 HG3 LYS B 35 1.402 -14.913 8.507 1.00 0.00 H new ATOM 0 HD2 LYS B 35 0.882 -17.294 9.174 1.00 0.00 H new ATOM 0 HD3 LYS B 35 1.329 -17.822 7.564 1.00 0.00 H new ATOM 0 HE2 LYS B 35 3.181 -16.436 9.556 1.00 0.00 H new ATOM 0 HE3 LYS B 35 3.184 -18.148 9.182 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 4.636 -17.674 7.613 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 3.399 -16.893 6.751 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 4.405 -16.001 7.789 1.00 0.00 H new ATOM 2008 N GLU B 36 -3.184 -14.420 7.037 1.00 0.00 N ATOM 2009 CA GLU B 36 -4.552 -14.340 6.556 1.00 0.00 C ATOM 2010 C GLU B 36 -4.760 -13.092 5.702 1.00 0.00 C ATOM 2011 O GLU B 36 -5.107 -13.221 4.535 1.00 0.00 O ATOM 2012 CB GLU B 36 -5.539 -14.376 7.725 1.00 0.00 C ATOM 2013 CG GLU B 36 -5.803 -15.814 8.180 1.00 0.00 C ATOM 2014 CD GLU B 36 -6.551 -15.872 9.510 1.00 0.00 C ATOM 2015 OE1 GLU B 36 -7.202 -14.861 9.853 1.00 0.00 O ATOM 2016 OE2 GLU B 36 -6.459 -16.934 10.161 1.00 0.00 O ATOM 0 H GLU B 36 -3.103 -14.544 8.046 1.00 0.00 H new ATOM 0 HA GLU B 36 -4.741 -15.209 5.926 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -5.143 -13.795 8.558 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -6.477 -13.907 7.427 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -6.382 -16.334 7.417 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -4.855 -16.343 8.276 1.00 0.00 H new ATOM 2023 N LEU B 37 -4.555 -11.901 6.270 1.00 0.00 N ATOM 2024 CA LEU B 37 -4.712 -10.624 5.587 1.00 0.00 C ATOM 2025 C LEU B 37 -4.106 -10.688 4.190 1.00 0.00 C ATOM 2026 O LEU B 37 -4.830 -10.565 3.205 1.00 0.00 O ATOM 2027 CB LEU B 37 -4.061 -9.488 6.396 1.00 0.00 C ATOM 2028 CG LEU B 37 -5.019 -8.852 7.411 1.00 0.00 C ATOM 2029 CD1 LEU B 37 -4.228 -8.115 8.496 1.00 0.00 C ATOM 2030 CD2 LEU B 37 -5.923 -7.841 6.700 1.00 0.00 C ATOM 0 H LEU B 37 -4.268 -11.801 7.244 1.00 0.00 H new ATOM 0 HA LEU B 37 -5.778 -10.417 5.497 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -3.189 -9.877 6.922 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -3.704 -8.720 5.711 1.00 0.00 H new ATOM 0 HG LEU B 37 -5.617 -9.642 7.865 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -4.920 -7.668 9.210 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.577 -8.820 9.014 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -3.624 -7.332 8.037 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -6.603 -7.390 7.423 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -5.311 -7.063 6.244 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -6.500 -8.349 5.927 1.00 0.00 H new ATOM 2042 N ILE B 38 -2.787 -10.880 4.096 1.00 0.00 N ATOM 2043 CA ILE B 38 -2.144 -10.834 2.793 1.00 0.00 C ATOM 2044 C ILE B 38 -2.672 -11.958 1.894 1.00 0.00 C ATOM 2045 O ILE B 38 -3.111 -11.688 0.783 1.00 0.00 O ATOM 2046 CB ILE B 38 -0.608 -10.757 2.909 1.00 0.00 C ATOM 2047 CG1 ILE B 38 0.007 -10.377 1.552 1.00 0.00 C ATOM 2048 CG2 ILE B 38 0.015 -12.053 3.441 1.00 0.00 C ATOM 2049 CD1 ILE B 38 1.503 -10.065 1.652 1.00 0.00 C ATOM 0 H ILE B 38 -2.165 -11.063 4.884 1.00 0.00 H new ATOM 0 HA ILE B 38 -2.416 -9.905 2.292 1.00 0.00 H new ATOM 0 HB ILE B 38 -0.381 -9.981 3.640 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -0.144 -11.194 0.847 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -0.516 -9.509 1.150 1.00 0.00 H new ATOM 0 HG21 ILE B 38 1.097 -11.939 3.501 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -0.383 -12.267 4.433 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -0.226 -12.876 2.768 1.00 0.00 H new ATOM 0 HD11 ILE B 38 1.887 -9.803 0.666 1.00 0.00 H new ATOM 0 HD12 ILE B 38 1.656 -9.229 2.335 1.00 0.00 H new ATOM 0 HD13 ILE B 38 2.033 -10.941 2.027 1.00 0.00 H new ATOM 2061 N GLN B 39 -2.680 -13.209 2.360 1.00 0.00 N ATOM 2062 CA GLN B 39 -2.992 -14.333 1.486 1.00 0.00 C ATOM 2063 C GLN B 39 -4.457 -14.331 1.024 1.00 0.00 C ATOM 2064 O GLN B 39 -4.743 -14.759 -0.091 1.00 0.00 O ATOM 2065 CB GLN B 39 -2.567 -15.638 2.169 1.00 0.00 C ATOM 2066 CG GLN B 39 -2.725 -16.850 1.243 1.00 0.00 C ATOM 2067 CD GLN B 39 -1.966 -18.067 1.763 1.00 0.00 C ATOM 2068 OE1 GLN B 39 -1.264 -18.734 1.012 1.00 0.00 O ATOM 2069 NE2 GLN B 39 -2.079 -18.361 3.056 1.00 0.00 N ATOM 0 H GLN B 39 -2.476 -13.464 3.326 1.00 0.00 H new ATOM 0 HA GLN B 39 -2.419 -14.235 0.564 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -1.528 -15.558 2.488 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -3.165 -15.788 3.068 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -3.782 -17.096 1.145 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -2.363 -16.595 0.247 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -2.670 -17.789 3.659 1.00 0.00 H new ATOM 0 HE22 GLN B 39 -1.574 -19.158 3.444 1.00 0.00 H new ATOM 2078 N LYS B 40 -5.389 -13.868 1.863 1.00 0.00 N ATOM 2079 CA LYS B 40 -6.786 -13.721 1.486 1.00 0.00 C ATOM 2080 C LYS B 40 -6.926 -12.446 0.651 1.00 0.00 C ATOM 2081 O LYS B 40 -7.225 -12.498 -0.541 1.00 0.00 O ATOM 2082 CB LYS B 40 -7.721 -13.647 2.715 1.00 0.00 C ATOM 2083 CG LYS B 40 -8.249 -14.976 3.290 1.00 0.00 C ATOM 2084 CD LYS B 40 -7.372 -15.721 4.304 1.00 0.00 C ATOM 2085 CE LYS B 40 -6.151 -16.391 3.673 1.00 0.00 C ATOM 2086 NZ LYS B 40 -5.671 -17.523 4.485 1.00 0.00 N ATOM 0 H LYS B 40 -5.189 -13.586 2.823 1.00 0.00 H new ATOM 0 HA LYS B 40 -7.084 -14.599 0.913 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -7.190 -13.124 3.510 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -8.580 -13.032 2.447 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -9.210 -14.777 3.763 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -8.439 -15.649 2.454 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -7.038 -15.020 5.069 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -7.974 -16.478 4.807 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -6.405 -16.742 2.673 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -5.351 -15.659 3.560 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -4.813 -17.921 4.053 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -5.454 -17.193 5.447 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -6.408 -18.256 4.529 1.00 0.00 H new ATOM 2100 N GLU B 41 -6.733 -11.286 1.286 1.00 0.00 N ATOM 2101 CA GLU B 41 -7.063 -10.009 0.676 1.00 0.00 C ATOM 2102 C GLU B 41 -6.193 -9.758 -0.552 1.00 0.00 C ATOM 2103 O GLU B 41 -6.709 -9.350 -1.588 1.00 0.00 O ATOM 2104 CB GLU B 41 -6.965 -8.870 1.697 1.00 0.00 C ATOM 2105 CG GLU B 41 -7.813 -9.113 2.956 1.00 0.00 C ATOM 2106 CD GLU B 41 -9.294 -9.303 2.646 1.00 0.00 C ATOM 2107 OE1 GLU B 41 -9.853 -8.423 1.958 1.00 0.00 O ATOM 2108 OE2 GLU B 41 -9.844 -10.323 3.118 1.00 0.00 O ATOM 0 H GLU B 41 -6.347 -11.213 2.227 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.099 -10.044 0.338 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -5.923 -8.740 1.988 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.283 -7.940 1.226 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -7.439 -9.996 3.475 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -7.695 -8.270 3.636 1.00 0.00 H new ATOM 2115 N LEU B 42 -4.889 -10.021 -0.462 1.00 0.00 N ATOM 2116 CA LEU B 42 -3.993 -9.978 -1.609 1.00 0.00 C ATOM 2117 C LEU B 42 -3.731 -11.399 -2.107 1.00 0.00 C ATOM 2118 O LEU B 42 -2.588 -11.775 -2.347 1.00 0.00 O ATOM 2119 CB LEU B 42 -2.699 -9.222 -1.268 1.00 0.00 C ATOM 2120 CG LEU B 42 -2.932 -7.717 -1.075 1.00 0.00 C ATOM 2121 CD1 LEU B 42 -1.792 -7.138 -0.235 1.00 0.00 C ATOM 2122 CD2 LEU B 42 -2.985 -6.988 -2.422 1.00 0.00 C ATOM 0 H LEU B 42 -4.427 -10.270 0.413 1.00 0.00 H new ATOM 0 HA LEU B 42 -4.465 -9.424 -2.420 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.267 -9.639 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -1.972 -9.375 -2.065 1.00 0.00 H new ATOM 0 HG LEU B 42 -3.888 -7.577 -0.570 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -1.951 -6.069 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -1.768 -7.633 0.736 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -0.844 -7.299 -0.748 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -3.151 -5.924 -2.254 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -2.042 -7.129 -2.949 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -3.800 -7.392 -3.022 1.00 0.00 H new ATOM 2243 N ASP B 50 7.625 -11.501 -5.813 1.00 0.00 N ATOM 2244 CA ASP B 50 8.425 -11.929 -4.668 1.00 0.00 C ATOM 2245 C ASP B 50 7.896 -11.282 -3.393 1.00 0.00 C ATOM 2246 O ASP B 50 7.803 -11.937 -2.361 1.00 0.00 O ATOM 2247 CB ASP B 50 9.902 -11.554 -4.850 1.00 0.00 C ATOM 2248 CG ASP B 50 10.573 -12.328 -5.978 1.00 0.00 C ATOM 2249 OD1 ASP B 50 10.971 -13.484 -5.715 1.00 0.00 O ATOM 2250 OD2 ASP B 50 10.692 -11.742 -7.076 1.00 0.00 O ATOM 0 HA ASP B 50 8.349 -13.014 -4.594 1.00 0.00 H new ATOM 0 HB2 ASP B 50 9.979 -10.486 -5.053 1.00 0.00 H new ATOM 0 HB3 ASP B 50 10.437 -11.741 -3.919 1.00 0.00 H new ATOM 2255 N ALA B 51 7.553 -9.996 -3.461 1.00 0.00 N ATOM 2256 CA ALA B 51 7.051 -9.189 -2.361 1.00 0.00 C ATOM 2257 C ALA B 51 6.191 -9.963 -1.358 1.00 0.00 C ATOM 2258 O ALA B 51 6.539 -10.040 -0.182 1.00 0.00 O ATOM 2259 CB ALA B 51 6.258 -8.034 -2.959 1.00 0.00 C ATOM 0 H ALA B 51 7.623 -9.467 -4.330 1.00 0.00 H new ATOM 0 HA ALA B 51 7.908 -8.837 -1.786 1.00 0.00 H new ATOM 0 HB1 ALA B 51 5.867 -7.408 -2.157 1.00 0.00 H new ATOM 0 HB2 ALA B 51 6.909 -7.439 -3.600 1.00 0.00 H new ATOM 0 HB3 ALA B 51 5.430 -8.428 -3.549 1.00 0.00 H new ATOM 2265 N GLU B 52 5.071 -10.532 -1.815 1.00 0.00 N ATOM 2266 CA GLU B 52 4.150 -11.262 -0.950 1.00 0.00 C ATOM 2267 C GLU B 52 4.857 -12.432 -0.267 1.00 0.00 C ATOM 2268 O GLU B 52 4.633 -12.706 0.909 1.00 0.00 O ATOM 2269 CB GLU B 52 2.930 -11.728 -1.766 1.00 0.00 C ATOM 2270 CG GLU B 52 2.070 -12.758 -1.010 1.00 0.00 C ATOM 2271 CD GLU B 52 0.822 -13.184 -1.779 1.00 0.00 C ATOM 2272 OE1 GLU B 52 0.725 -12.800 -2.963 1.00 0.00 O ATOM 2273 OE2 GLU B 52 0.014 -13.917 -1.166 1.00 0.00 O ATOM 0 H GLU B 52 4.781 -10.498 -2.792 1.00 0.00 H new ATOM 0 HA GLU B 52 3.798 -10.598 -0.160 1.00 0.00 H new ATOM 0 HB2 GLU B 52 2.316 -10.864 -2.020 1.00 0.00 H new ATOM 0 HB3 GLU B 52 3.271 -12.164 -2.705 1.00 0.00 H new ATOM 0 HG2 GLU B 52 2.675 -13.639 -0.796 1.00 0.00 H new ATOM 0 HG3 GLU B 52 1.771 -12.337 -0.050 1.00 0.00 H new ATOM 2280 N ILE B 53 5.697 -13.134 -1.022 1.00 0.00 N ATOM 2281 CA ILE B 53 6.381 -14.329 -0.580 1.00 0.00 C ATOM 2282 C ILE B 53 7.320 -13.904 0.553 1.00 0.00 C ATOM 2283 O ILE B 53 7.262 -14.434 1.663 1.00 0.00 O ATOM 2284 CB ILE B 53 7.130 -14.977 -1.767 1.00 0.00 C ATOM 2285 CG1 ILE B 53 6.270 -15.299 -3.012 1.00 0.00 C ATOM 2286 CG2 ILE B 53 7.782 -16.286 -1.297 1.00 0.00 C ATOM 2287 CD1 ILE B 53 5.508 -14.150 -3.698 1.00 0.00 C ATOM 0 H ILE B 53 5.922 -12.874 -1.982 1.00 0.00 H new ATOM 0 HA ILE B 53 5.690 -15.087 -0.211 1.00 0.00 H new ATOM 0 HB ILE B 53 7.853 -14.225 -2.083 1.00 0.00 H new ATOM 0 HG12 ILE B 53 6.923 -15.754 -3.757 1.00 0.00 H new ATOM 0 HG13 ILE B 53 5.540 -16.055 -2.723 1.00 0.00 H new ATOM 0 HG21 ILE B 53 8.312 -16.748 -2.130 1.00 0.00 H new ATOM 0 HG22 ILE B 53 8.486 -16.073 -0.492 1.00 0.00 H new ATOM 0 HG23 ILE B 53 7.012 -16.967 -0.935 1.00 0.00 H new ATOM 0 HD11 ILE B 53 4.954 -14.540 -4.552 1.00 0.00 H new ATOM 0 HD12 ILE B 53 4.812 -13.701 -2.989 1.00 0.00 H new ATOM 0 HD13 ILE B 53 6.217 -13.395 -4.039 1.00 0.00 H new ATOM 2299 N VAL B 54 8.153 -12.900 0.274 1.00 0.00 N ATOM 2300 CA VAL B 54 9.074 -12.313 1.233 1.00 0.00 C ATOM 2301 C VAL B 54 8.313 -11.852 2.478 1.00 0.00 C ATOM 2302 O VAL B 54 8.750 -12.138 3.587 1.00 0.00 O ATOM 2303 CB VAL B 54 9.877 -11.183 0.564 1.00 0.00 C ATOM 2304 CG1 VAL B 54 10.784 -10.460 1.569 1.00 0.00 C ATOM 2305 CG2 VAL B 54 10.759 -11.766 -0.549 1.00 0.00 C ATOM 0 H VAL B 54 8.203 -12.467 -0.648 1.00 0.00 H new ATOM 0 HA VAL B 54 9.795 -13.060 1.565 1.00 0.00 H new ATOM 0 HB VAL B 54 9.161 -10.468 0.159 1.00 0.00 H new ATOM 0 HG11 VAL B 54 11.334 -9.669 1.059 1.00 0.00 H new ATOM 0 HG12 VAL B 54 10.175 -10.025 2.361 1.00 0.00 H new ATOM 0 HG13 VAL B 54 11.488 -11.171 2.001 1.00 0.00 H new ATOM 0 HG21 VAL B 54 11.327 -10.964 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL B 54 11.448 -12.496 -0.123 1.00 0.00 H new ATOM 0 HG23 VAL B 54 10.130 -12.253 -1.294 1.00 0.00 H new ATOM 2315 N LYS B 55 7.177 -11.170 2.315 1.00 0.00 N ATOM 2316 CA LYS B 55 6.324 -10.779 3.433 1.00 0.00 C ATOM 2317 C LYS B 55 5.922 -11.997 4.263 1.00 0.00 C ATOM 2318 O LYS B 55 6.113 -12.005 5.479 1.00 0.00 O ATOM 2319 CB LYS B 55 5.096 -10.005 2.929 1.00 0.00 C ATOM 2320 CG LYS B 55 5.129 -8.516 3.293 1.00 0.00 C ATOM 2321 CD LYS B 55 6.181 -7.684 2.543 1.00 0.00 C ATOM 2322 CE LYS B 55 7.618 -7.769 3.074 1.00 0.00 C ATOM 2323 NZ LYS B 55 7.704 -7.475 4.517 1.00 0.00 N ATOM 0 H LYS B 55 6.825 -10.875 1.404 1.00 0.00 H new ATOM 0 HA LYS B 55 6.890 -10.114 4.085 1.00 0.00 H new ATOM 0 HB2 LYS B 55 5.030 -10.106 1.846 1.00 0.00 H new ATOM 0 HB3 LYS B 55 4.195 -10.454 3.346 1.00 0.00 H new ATOM 0 HG2 LYS B 55 4.145 -8.089 3.099 1.00 0.00 H new ATOM 0 HG3 LYS B 55 5.311 -8.424 4.364 1.00 0.00 H new ATOM 0 HD2 LYS B 55 6.183 -7.996 1.499 1.00 0.00 H new ATOM 0 HD3 LYS B 55 5.870 -6.640 2.563 1.00 0.00 H new ATOM 0 HE2 LYS B 55 8.013 -8.767 2.885 1.00 0.00 H new ATOM 0 HE3 LYS B 55 8.247 -7.068 2.525 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 8.542 -6.887 4.702 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 6.850 -6.965 4.819 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 7.781 -8.365 5.049 1.00 0.00 H new ATOM 2337 N LEU B 56 5.366 -13.024 3.619 1.00 0.00 N ATOM 2338 CA LEU B 56 4.959 -14.242 4.303 1.00 0.00 C ATOM 2339 C LEU B 56 6.129 -14.861 5.072 1.00 0.00 C ATOM 2340 O LEU B 56 5.924 -15.335 6.188 1.00 0.00 O ATOM 2341 CB LEU B 56 4.336 -15.237 3.314 1.00 0.00 C ATOM 2342 CG LEU B 56 2.937 -14.807 2.837 1.00 0.00 C ATOM 2343 CD1 LEU B 56 2.545 -15.620 1.599 1.00 0.00 C ATOM 2344 CD2 LEU B 56 1.880 -15.024 3.926 1.00 0.00 C ATOM 0 H LEU B 56 5.188 -13.031 2.615 1.00 0.00 H new ATOM 0 HA LEU B 56 4.195 -13.984 5.036 1.00 0.00 H new ATOM 0 HB2 LEU B 56 4.993 -15.343 2.450 1.00 0.00 H new ATOM 0 HB3 LEU B 56 4.269 -16.217 3.786 1.00 0.00 H new ATOM 0 HG LEU B 56 2.978 -13.744 2.600 1.00 0.00 H new ATOM 0 HD11 LEU B 56 1.554 -15.315 1.262 1.00 0.00 H new ATOM 0 HD12 LEU B 56 3.269 -15.444 0.804 1.00 0.00 H new ATOM 0 HD13 LEU B 56 2.532 -16.681 1.849 1.00 0.00 H new ATOM 0 HD21 LEU B 56 0.905 -14.710 3.554 1.00 0.00 H new ATOM 0 HD22 LEU B 56 1.844 -16.080 4.192 1.00 0.00 H new ATOM 0 HD23 LEU B 56 2.139 -14.437 4.807 1.00 0.00 H new ATOM 2356 N MET B 57 7.345 -14.858 4.511 1.00 0.00 N ATOM 2357 CA MET B 57 8.506 -15.336 5.254 1.00 0.00 C ATOM 2358 C MET B 57 8.769 -14.395 6.440 1.00 0.00 C ATOM 2359 O MET B 57 8.632 -14.784 7.600 1.00 0.00 O ATOM 2360 CB MET B 57 9.756 -15.451 4.363 1.00 0.00 C ATOM 2361 CG MET B 57 9.651 -16.341 3.114 1.00 0.00 C ATOM 2362 SD MET B 57 8.941 -18.003 3.260 1.00 0.00 S ATOM 2363 CE MET B 57 7.223 -17.703 2.776 1.00 0.00 C ATOM 0 H MET B 57 7.544 -14.536 3.564 1.00 0.00 H new ATOM 0 HA MET B 57 8.289 -16.339 5.621 1.00 0.00 H new ATOM 0 HB2 MET B 57 10.034 -14.448 4.040 1.00 0.00 H new ATOM 0 HB3 MET B 57 10.575 -15.826 4.977 1.00 0.00 H new ATOM 0 HG2 MET B 57 9.062 -15.798 2.374 1.00 0.00 H new ATOM 0 HG3 MET B 57 10.655 -16.450 2.705 1.00 0.00 H new ATOM 0 HE1 MET B 57 6.766 -18.640 2.458 1.00 0.00 H new ATOM 0 HE2 MET B 57 6.671 -17.299 3.625 1.00 0.00 H new ATOM 0 HE3 MET B 57 7.196 -16.989 1.953 1.00 0.00 H new ATOM 2373 N ASP B 58 9.135 -13.147 6.127 1.00 0.00 N ATOM 2374 CA ASP B 58 9.477 -12.065 7.048 1.00 0.00 C ATOM 2375 C ASP B 58 8.571 -12.054 8.273 1.00 0.00 C ATOM 2376 O ASP B 58 9.054 -11.941 9.398 1.00 0.00 O ATOM 2377 CB ASP B 58 9.378 -10.725 6.304 1.00 0.00 C ATOM 2378 CG ASP B 58 9.485 -9.526 7.240 1.00 0.00 C ATOM 2379 OD1 ASP B 58 10.508 -9.444 7.951 1.00 0.00 O ATOM 2380 OD2 ASP B 58 8.539 -8.706 7.220 1.00 0.00 O ATOM 0 H ASP B 58 9.204 -12.849 5.154 1.00 0.00 H new ATOM 0 HA ASP B 58 10.496 -12.224 7.402 1.00 0.00 H new ATOM 0 HB2 ASP B 58 10.169 -10.669 5.556 1.00 0.00 H new ATOM 0 HB3 ASP B 58 8.430 -10.680 5.769 1.00 0.00 H new ATOM 2385 N ASP B 59 7.264 -12.190 8.040 1.00 0.00 N ATOM 2386 CA ASP B 59 6.234 -12.247 9.063 1.00 0.00 C ATOM 2387 C ASP B 59 6.678 -13.047 10.286 1.00 0.00 C ATOM 2388 O ASP B 59 6.518 -12.578 11.415 1.00 0.00 O ATOM 2389 CB ASP B 59 4.975 -12.882 8.468 1.00 0.00 C ATOM 2390 CG ASP B 59 3.852 -12.903 9.490 1.00 0.00 C ATOM 2391 OD1 ASP B 59 3.260 -11.823 9.695 1.00 0.00 O ATOM 2392 OD2 ASP B 59 3.620 -13.989 10.061 1.00 0.00 O ATOM 0 H ASP B 59 6.886 -12.266 7.096 1.00 0.00 H new ATOM 0 HA ASP B 59 6.033 -11.228 9.394 1.00 0.00 H new ATOM 0 HB2 ASP B 59 4.661 -12.323 7.587 1.00 0.00 H new ATOM 0 HB3 ASP B 59 5.194 -13.898 8.140 1.00 0.00 H new ATOM 2397 N LEU B 60 7.233 -14.245 10.073 1.00 0.00 N ATOM 2398 CA LEU B 60 7.594 -15.117 11.181 1.00 0.00 C ATOM 2399 C LEU B 60 8.615 -14.440 12.095 1.00 0.00 C ATOM 2400 O LEU B 60 8.504 -14.546 13.312 1.00 0.00 O ATOM 2401 CB LEU B 60 8.024 -16.509 10.684 1.00 0.00 C ATOM 2402 CG LEU B 60 9.442 -16.606 10.088 1.00 0.00 C ATOM 2403 CD1 LEU B 60 10.482 -17.002 11.147 1.00 0.00 C ATOM 2404 CD2 LEU B 60 9.464 -17.667 8.980 1.00 0.00 C ATOM 0 H LEU B 60 7.438 -14.625 9.149 1.00 0.00 H new ATOM 0 HA LEU B 60 6.711 -15.291 11.795 1.00 0.00 H new ATOM 0 HB2 LEU B 60 7.953 -17.208 11.517 1.00 0.00 H new ATOM 0 HB3 LEU B 60 7.311 -16.840 9.929 1.00 0.00 H new ATOM 0 HG LEU B 60 9.696 -15.622 9.695 1.00 0.00 H new ATOM 0 HD11 LEU B 60 11.468 -17.059 10.685 1.00 0.00 H new ATOM 0 HD12 LEU B 60 10.496 -16.255 11.941 1.00 0.00 H new ATOM 0 HD13 LEU B 60 10.221 -17.973 11.567 1.00 0.00 H new ATOM 0 HD21 LEU B 60 10.468 -17.734 8.560 1.00 0.00 H new ATOM 0 HD22 LEU B 60 9.180 -18.634 9.396 1.00 0.00 H new ATOM 0 HD23 LEU B 60 8.760 -17.389 8.196 1.00 0.00 H new ATOM 2416 N ASP B 61 9.585 -13.722 11.520 1.00 0.00 N ATOM 2417 CA ASP B 61 10.631 -13.050 12.279 1.00 0.00 C ATOM 2418 C ASP B 61 10.115 -11.732 12.849 1.00 0.00 C ATOM 2419 O ASP B 61 10.387 -11.409 14.001 1.00 0.00 O ATOM 2420 CB ASP B 61 11.859 -12.818 11.393 1.00 0.00 C ATOM 2421 CG ASP B 61 12.964 -12.120 12.180 1.00 0.00 C ATOM 2422 OD1 ASP B 61 13.542 -12.789 13.064 1.00 0.00 O ATOM 2423 OD2 ASP B 61 13.206 -10.929 11.887 1.00 0.00 O ATOM 0 H ASP B 61 9.662 -13.593 10.511 1.00 0.00 H new ATOM 0 HA ASP B 61 10.924 -13.687 13.114 1.00 0.00 H new ATOM 0 HB2 ASP B 61 12.224 -13.771 11.011 1.00 0.00 H new ATOM 0 HB3 ASP B 61 11.582 -12.213 10.529 1.00 0.00 H new ATOM 2428 N ARG B 62 9.369 -10.973 12.038 1.00 0.00 N ATOM 2429 CA ARG B 62 8.764 -9.715 12.452 1.00 0.00 C ATOM 2430 C ARG B 62 7.933 -9.925 13.719 1.00 0.00 C ATOM 2431 O ARG B 62 8.011 -9.130 14.652 1.00 0.00 O ATOM 2432 CB ARG B 62 7.909 -9.148 11.309 1.00 0.00 C ATOM 2433 CG ARG B 62 7.316 -7.772 11.661 1.00 0.00 C ATOM 2434 CD ARG B 62 6.427 -7.242 10.531 1.00 0.00 C ATOM 2435 NE ARG B 62 7.197 -7.053 9.295 1.00 0.00 N ATOM 2436 CZ ARG B 62 7.746 -5.909 8.859 1.00 0.00 C ATOM 2437 NH1 ARG B 62 7.635 -4.762 9.541 1.00 0.00 N ATOM 2438 NH2 ARG B 62 8.434 -5.942 7.715 1.00 0.00 N ATOM 0 H ARG B 62 9.170 -11.222 11.069 1.00 0.00 H new ATOM 0 HA ARG B 62 9.547 -8.992 12.681 1.00 0.00 H new ATOM 0 HB2 ARG B 62 8.518 -9.061 10.409 1.00 0.00 H new ATOM 0 HB3 ARG B 62 7.101 -9.843 11.081 1.00 0.00 H new ATOM 0 HG2 ARG B 62 6.733 -7.849 12.579 1.00 0.00 H new ATOM 0 HG3 ARG B 62 8.123 -7.065 11.854 1.00 0.00 H new ATOM 0 HD2 ARG B 62 5.609 -7.940 10.350 1.00 0.00 H new ATOM 0 HD3 ARG B 62 5.978 -6.295 10.831 1.00 0.00 H new ATOM 0 HE ARG B 62 7.328 -7.876 8.707 1.00 0.00 H new ATOM 0 HH11 ARG B 62 7.120 -4.740 10.421 1.00 0.00 H new ATOM 0 HH12 ARG B 62 8.065 -3.910 9.180 1.00 0.00 H new ATOM 0 HH21 ARG B 62 8.529 -6.818 7.202 1.00 0.00 H new ATOM 0 HH22 ARG B 62 8.865 -5.091 7.354 1.00 0.00 H new ATOM 2452 N ASN B 63 7.123 -10.988 13.738 1.00 0.00 N ATOM 2453 CA ASN B 63 6.309 -11.312 14.901 1.00 0.00 C ATOM 2454 C ASN B 63 7.159 -12.034 15.938 1.00 0.00 C ATOM 2455 O ASN B 63 7.296 -11.569 17.065 1.00 0.00 O ATOM 2456 CB ASN B 63 5.106 -12.176 14.512 1.00 0.00 C ATOM 2457 CG ASN B 63 4.072 -11.382 13.730 1.00 0.00 C ATOM 2458 OD1 ASN B 63 3.070 -10.940 14.283 1.00 0.00 O ATOM 2459 ND2 ASN B 63 4.294 -11.221 12.432 1.00 0.00 N ATOM 0 H ASN B 63 7.017 -11.636 12.957 1.00 0.00 H new ATOM 0 HA ASN B 63 5.931 -10.382 15.325 1.00 0.00 H new ATOM 0 HB2 ASN B 63 5.444 -13.022 13.913 1.00 0.00 H new ATOM 0 HB3 ASN B 63 4.646 -12.586 15.411 1.00 0.00 H new ATOM 0 HD21 ASN B 63 3.619 -10.715 11.858 1.00 0.00 H new ATOM 0 HD22 ASN B 63 5.139 -11.603 12.008 1.00 0.00 H new ATOM 2517 N GLU B 67 3.106 -9.280 18.882 1.00 0.00 N ATOM 2518 CA GLU B 67 2.121 -8.702 17.986 1.00 0.00 C ATOM 2519 C GLU B 67 2.769 -7.578 17.167 1.00 0.00 C ATOM 2520 O GLU B 67 3.845 -7.084 17.509 1.00 0.00 O ATOM 2521 CB GLU B 67 0.956 -8.128 18.813 1.00 0.00 C ATOM 2522 CG GLU B 67 0.120 -9.171 19.573 1.00 0.00 C ATOM 2523 CD GLU B 67 0.876 -9.901 20.682 1.00 0.00 C ATOM 2524 OE1 GLU B 67 1.751 -9.254 21.302 1.00 0.00 O ATOM 2525 OE2 GLU B 67 0.575 -11.098 20.880 1.00 0.00 O ATOM 0 HA GLU B 67 1.746 -9.471 17.311 1.00 0.00 H new ATOM 0 HB2 GLU B 67 1.358 -7.414 19.532 1.00 0.00 H new ATOM 0 HB3 GLU B 67 0.297 -7.572 18.146 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -0.748 -8.676 20.007 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -0.255 -9.906 18.861 1.00 0.00 H new ATOM 2532 N VAL B 68 2.082 -7.149 16.108 1.00 0.00 N ATOM 2533 CA VAL B 68 2.377 -5.938 15.359 1.00 0.00 C ATOM 2534 C VAL B 68 1.170 -5.020 15.545 1.00 0.00 C ATOM 2535 O VAL B 68 0.059 -5.510 15.774 1.00 0.00 O ATOM 2536 CB VAL B 68 2.639 -6.236 13.871 1.00 0.00 C ATOM 2537 CG1 VAL B 68 3.732 -7.293 13.677 1.00 0.00 C ATOM 2538 CG2 VAL B 68 1.382 -6.629 13.101 1.00 0.00 C ATOM 0 H VAL B 68 1.278 -7.656 15.739 1.00 0.00 H new ATOM 0 HA VAL B 68 3.289 -5.466 15.724 1.00 0.00 H new ATOM 0 HB VAL B 68 2.991 -5.293 13.452 1.00 0.00 H new ATOM 0 HG11 VAL B 68 3.882 -7.470 12.612 1.00 0.00 H new ATOM 0 HG12 VAL B 68 4.663 -6.940 14.121 1.00 0.00 H new ATOM 0 HG13 VAL B 68 3.430 -8.222 14.160 1.00 0.00 H new ATOM 0 HG21 VAL B 68 1.639 -6.825 12.060 1.00 0.00 H new ATOM 0 HG22 VAL B 68 0.950 -7.527 13.543 1.00 0.00 H new ATOM 0 HG23 VAL B 68 0.657 -5.816 13.149 1.00 0.00 H new ATOM 2548 N ASN B 69 1.380 -3.705 15.452 1.00 0.00 N ATOM 2549 CA ASN B 69 0.305 -2.723 15.496 1.00 0.00 C ATOM 2550 C ASN B 69 -0.110 -2.313 14.086 1.00 0.00 C ATOM 2551 O ASN B 69 0.542 -2.682 13.111 1.00 0.00 O ATOM 2552 CB ASN B 69 0.724 -1.500 16.325 1.00 0.00 C ATOM 2553 CG ASN B 69 1.432 -0.437 15.483 1.00 0.00 C ATOM 2554 OD1 ASN B 69 2.377 -0.737 14.759 1.00 0.00 O ATOM 2555 ND2 ASN B 69 0.959 0.806 15.529 1.00 0.00 N ATOM 0 H ASN B 69 2.307 -3.294 15.344 1.00 0.00 H new ATOM 0 HA ASN B 69 -0.558 -3.180 15.980 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -0.158 -1.061 16.791 1.00 0.00 H new ATOM 0 HB3 ASN B 69 1.385 -1.820 17.131 1.00 0.00 H new ATOM 0 HD21 ASN B 69 1.383 1.535 14.954 1.00 0.00 H new ATOM 0 HD22 ASN B 69 0.173 1.030 16.139 1.00 0.00 H new ATOM 2562 N PHE B 70 -1.163 -1.495 14.001 1.00 0.00 N ATOM 2563 CA PHE B 70 -1.600 -0.851 12.767 1.00 0.00 C ATOM 2564 C PHE B 70 -0.425 -0.360 11.912 1.00 0.00 C ATOM 2565 O PHE B 70 -0.274 -0.820 10.788 1.00 0.00 O ATOM 2566 CB PHE B 70 -2.592 0.276 13.077 1.00 0.00 C ATOM 2567 CG PHE B 70 -3.114 1.015 11.862 1.00 0.00 C ATOM 2568 CD1 PHE B 70 -3.935 0.346 10.935 1.00 0.00 C ATOM 2569 CD2 PHE B 70 -2.840 2.384 11.689 1.00 0.00 C ATOM 2570 CE1 PHE B 70 -4.491 1.044 9.850 1.00 0.00 C ATOM 2571 CE2 PHE B 70 -3.400 3.082 10.606 1.00 0.00 C ATOM 2572 CZ PHE B 70 -4.223 2.413 9.683 1.00 0.00 C ATOM 0 H PHE B 70 -1.744 -1.260 14.806 1.00 0.00 H new ATOM 0 HA PHE B 70 -2.112 -1.603 12.166 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.438 -0.143 13.621 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -2.110 0.993 13.741 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -4.138 -0.708 11.058 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -2.199 2.899 12.389 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -5.125 0.528 9.144 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -3.198 4.136 10.482 1.00 0.00 H new ATOM 0 HZ PHE B 70 -4.648 2.950 8.848 1.00 0.00 H new ATOM 2582 N GLN B 71 0.428 0.543 12.409 1.00 0.00 N ATOM 2583 CA GLN B 71 1.500 1.082 11.571 1.00 0.00 C ATOM 2584 C GLN B 71 2.448 -0.017 11.082 1.00 0.00 C ATOM 2585 O GLN B 71 2.883 0.023 9.934 1.00 0.00 O ATOM 2586 CB GLN B 71 2.275 2.216 12.256 1.00 0.00 C ATOM 2587 CG GLN B 71 3.104 3.025 11.236 1.00 0.00 C ATOM 2588 CD GLN B 71 2.216 3.816 10.280 1.00 0.00 C ATOM 2589 OE1 GLN B 71 1.276 4.473 10.716 1.00 0.00 O ATOM 2590 NE2 GLN B 71 2.475 3.769 8.976 1.00 0.00 N ATOM 0 H GLN B 71 0.399 0.907 13.361 1.00 0.00 H new ATOM 0 HA GLN B 71 1.012 1.515 10.698 1.00 0.00 H new ATOM 0 HB2 GLN B 71 1.577 2.879 12.768 1.00 0.00 H new ATOM 0 HB3 GLN B 71 2.936 1.800 13.017 1.00 0.00 H new ATOM 0 HG2 GLN B 71 3.765 3.709 11.767 1.00 0.00 H new ATOM 0 HG3 GLN B 71 3.739 2.347 10.665 1.00 0.00 H new ATOM 0 HE21 GLN B 71 3.261 3.217 8.632 1.00 0.00 H new ATOM 0 HE22 GLN B 71 1.888 4.285 8.320 1.00 0.00 H new ATOM 2599 N GLU B 72 2.781 -1.004 11.916 1.00 0.00 N ATOM 2600 CA GLU B 72 3.576 -2.132 11.450 1.00 0.00 C ATOM 2601 C GLU B 72 2.838 -2.924 10.364 1.00 0.00 C ATOM 2602 O GLU B 72 3.447 -3.306 9.368 1.00 0.00 O ATOM 2603 CB GLU B 72 3.986 -3.028 12.619 1.00 0.00 C ATOM 2604 CG GLU B 72 5.214 -2.490 13.363 1.00 0.00 C ATOM 2605 CD GLU B 72 6.483 -2.588 12.514 1.00 0.00 C ATOM 2606 OE1 GLU B 72 6.724 -3.692 11.973 1.00 0.00 O ATOM 2607 OE2 GLU B 72 7.181 -1.558 12.408 1.00 0.00 O ATOM 0 H GLU B 72 2.516 -1.043 12.900 1.00 0.00 H new ATOM 0 HA GLU B 72 4.487 -1.738 10.998 1.00 0.00 H new ATOM 0 HB2 GLU B 72 3.152 -3.117 13.315 1.00 0.00 H new ATOM 0 HB3 GLU B 72 4.199 -4.030 12.248 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.043 -1.450 13.642 1.00 0.00 H new ATOM 0 HG3 GLU B 72 5.352 -3.049 14.288 1.00 0.00 H new ATOM 2614 N TYR B 73 1.530 -3.152 10.511 1.00 0.00 N ATOM 2615 CA TYR B 73 0.731 -3.754 9.447 1.00 0.00 C ATOM 2616 C TYR B 73 0.852 -2.910 8.166 1.00 0.00 C ATOM 2617 O TYR B 73 1.143 -3.427 7.087 1.00 0.00 O ATOM 2618 CB TYR B 73 -0.729 -3.941 9.906 1.00 0.00 C ATOM 2619 CG TYR B 73 -1.798 -3.709 8.848 1.00 0.00 C ATOM 2620 CD1 TYR B 73 -2.127 -4.719 7.925 1.00 0.00 C ATOM 2621 CD2 TYR B 73 -2.494 -2.487 8.812 1.00 0.00 C ATOM 2622 CE1 TYR B 73 -3.181 -4.523 7.013 1.00 0.00 C ATOM 2623 CE2 TYR B 73 -3.509 -2.272 7.866 1.00 0.00 C ATOM 2624 CZ TYR B 73 -3.886 -3.306 6.996 1.00 0.00 C ATOM 2625 OH TYR B 73 -4.955 -3.148 6.163 1.00 0.00 O ATOM 0 H TYR B 73 1.005 -2.928 11.356 1.00 0.00 H new ATOM 0 HA TYR B 73 1.112 -4.749 9.217 1.00 0.00 H new ATOM 0 HB2 TYR B 73 -0.841 -4.955 10.290 1.00 0.00 H new ATOM 0 HB3 TYR B 73 -0.917 -3.262 10.738 1.00 0.00 H new ATOM 0 HD1 TYR B 73 -1.571 -5.645 7.916 1.00 0.00 H new ATOM 0 HD2 TYR B 73 -2.246 -1.708 9.518 1.00 0.00 H new ATOM 0 HE1 TYR B 73 -3.449 -5.310 6.324 1.00 0.00 H new ATOM 0 HE2 TYR B 73 -3.999 -1.311 7.808 1.00 0.00 H new ATOM 0 HH TYR B 73 -5.505 -2.399 6.475 1.00 0.00 H new ATOM 2635 N ILE B 74 0.670 -1.594 8.285 1.00 0.00 N ATOM 2636 CA ILE B 74 0.826 -0.654 7.185 1.00 0.00 C ATOM 2637 C ILE B 74 2.253 -0.719 6.618 1.00 0.00 C ATOM 2638 O ILE B 74 2.439 -0.566 5.415 1.00 0.00 O ATOM 2639 CB ILE B 74 0.442 0.766 7.644 1.00 0.00 C ATOM 2640 CG1 ILE B 74 -1.029 0.921 8.080 1.00 0.00 C ATOM 2641 CG2 ILE B 74 0.745 1.794 6.560 1.00 0.00 C ATOM 2642 CD1 ILE B 74 -2.042 0.848 6.934 1.00 0.00 C ATOM 0 H ILE B 74 0.406 -1.149 9.164 1.00 0.00 H new ATOM 0 HA ILE B 74 0.150 -0.930 6.376 1.00 0.00 H new ATOM 0 HB ILE B 74 1.057 0.944 8.526 1.00 0.00 H new ATOM 0 HG12 ILE B 74 -1.264 0.142 8.806 1.00 0.00 H new ATOM 0 HG13 ILE B 74 -1.145 1.877 8.590 1.00 0.00 H new ATOM 0 HG21 ILE B 74 0.464 2.787 6.911 1.00 0.00 H new ATOM 0 HG22 ILE B 74 1.811 1.778 6.331 1.00 0.00 H new ATOM 0 HG23 ILE B 74 0.177 1.553 5.661 1.00 0.00 H new ATOM 0 HD11 ILE B 74 -3.050 0.966 7.331 1.00 0.00 H new ATOM 0 HD12 ILE B 74 -1.839 1.644 6.217 1.00 0.00 H new ATOM 0 HD13 ILE B 74 -1.959 -0.118 6.436 1.00 0.00 H new ATOM 2654 N THR B 75 3.264 -0.960 7.454 1.00 0.00 N ATOM 2655 CA THR B 75 4.640 -1.161 7.014 1.00 0.00 C ATOM 2656 C THR B 75 4.755 -2.459 6.219 1.00 0.00 C ATOM 2657 O THR B 75 5.416 -2.487 5.186 1.00 0.00 O ATOM 2658 CB THR B 75 5.605 -1.112 8.207 1.00 0.00 C ATOM 2659 OG1 THR B 75 5.449 0.123 8.876 1.00 0.00 O ATOM 2660 CG2 THR B 75 7.068 -1.244 7.773 1.00 0.00 C ATOM 0 H THR B 75 3.146 -1.021 8.465 1.00 0.00 H new ATOM 0 HA THR B 75 4.926 -0.348 6.347 1.00 0.00 H new ATOM 0 HB THR B 75 5.365 -1.952 8.859 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.569 0.153 9.307 1.00 0.00 H new ATOM 0 HG21 THR B 75 7.713 -1.204 8.651 1.00 0.00 H new ATOM 0 HG22 THR B 75 7.211 -2.195 7.261 1.00 0.00 H new ATOM 0 HG23 THR B 75 7.322 -0.427 7.098 1.00 0.00 H new ATOM 2668 N PHE B 76 4.099 -3.528 6.673 1.00 0.00 N ATOM 2669 CA PHE B 76 4.035 -4.795 5.956 1.00 0.00 C ATOM 2670 C PHE B 76 3.456 -4.554 4.554 1.00 0.00 C ATOM 2671 O PHE B 76 4.073 -4.909 3.548 1.00 0.00 O ATOM 2672 CB PHE B 76 3.216 -5.797 6.787 1.00 0.00 C ATOM 2673 CG PHE B 76 3.383 -7.255 6.419 1.00 0.00 C ATOM 2674 CD1 PHE B 76 4.453 -7.991 6.964 1.00 0.00 C ATOM 2675 CD2 PHE B 76 2.369 -7.921 5.705 1.00 0.00 C ATOM 2676 CE1 PHE B 76 4.509 -9.386 6.797 1.00 0.00 C ATOM 2677 CE2 PHE B 76 2.414 -9.318 5.557 1.00 0.00 C ATOM 2678 CZ PHE B 76 3.481 -10.050 6.104 1.00 0.00 C ATOM 0 H PHE B 76 3.593 -3.535 7.559 1.00 0.00 H new ATOM 0 HA PHE B 76 5.027 -5.225 5.819 1.00 0.00 H new ATOM 0 HB2 PHE B 76 3.485 -5.674 7.836 1.00 0.00 H new ATOM 0 HB3 PHE B 76 2.161 -5.538 6.696 1.00 0.00 H new ATOM 0 HD1 PHE B 76 5.233 -7.482 7.512 1.00 0.00 H new ATOM 0 HD2 PHE B 76 1.556 -7.358 5.271 1.00 0.00 H new ATOM 0 HE1 PHE B 76 5.340 -9.946 7.200 1.00 0.00 H new ATOM 0 HE2 PHE B 76 1.627 -9.829 5.022 1.00 0.00 H new ATOM 0 HZ PHE B 76 3.512 -11.124 5.992 1.00 0.00 H new ATOM 2688 N LEU B 77 2.296 -3.887 4.483 1.00 0.00 N ATOM 2689 CA LEU B 77 1.693 -3.500 3.210 1.00 0.00 C ATOM 2690 C LEU B 77 2.629 -2.604 2.392 1.00 0.00 C ATOM 2691 O LEU B 77 2.771 -2.795 1.188 1.00 0.00 O ATOM 2692 CB LEU B 77 0.348 -2.791 3.414 1.00 0.00 C ATOM 2693 CG LEU B 77 -0.762 -3.644 4.049 1.00 0.00 C ATOM 2694 CD1 LEU B 77 -2.062 -2.834 3.993 1.00 0.00 C ATOM 2695 CD2 LEU B 77 -0.973 -4.982 3.329 1.00 0.00 C ATOM 0 H LEU B 77 1.757 -3.605 5.301 1.00 0.00 H new ATOM 0 HA LEU B 77 1.520 -4.422 2.655 1.00 0.00 H new ATOM 0 HB2 LEU B 77 0.511 -1.914 4.040 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -0.003 -2.431 2.447 1.00 0.00 H new ATOM 0 HG LEU B 77 -0.469 -3.879 5.072 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -2.871 -3.414 4.437 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -1.935 -1.904 4.547 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -2.305 -2.608 2.955 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -1.769 -5.539 3.823 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -1.250 -4.797 2.291 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -0.050 -5.562 3.361 1.00 0.00 H new ATOM 2707 N GLY B 78 3.257 -1.615 3.024 1.00 0.00 N ATOM 2708 CA GLY B 78 4.160 -0.686 2.365 1.00 0.00 C ATOM 2709 C GLY B 78 5.331 -1.426 1.724 1.00 0.00 C ATOM 2710 O GLY B 78 5.685 -1.172 0.575 1.00 0.00 O ATOM 0 H GLY B 78 3.149 -1.437 4.023 1.00 0.00 H new ATOM 0 HA2 GLY B 78 3.619 -0.125 1.603 1.00 0.00 H new ATOM 0 HA3 GLY B 78 4.535 0.038 3.088 1.00 0.00 H new ATOM 2714 N ALA B 79 5.931 -2.354 2.470 1.00 0.00 N ATOM 2715 CA ALA B 79 7.014 -3.187 1.988 1.00 0.00 C ATOM 2716 C ALA B 79 6.528 -4.043 0.819 1.00 0.00 C ATOM 2717 O ALA B 79 7.174 -4.072 -0.221 1.00 0.00 O ATOM 2718 CB ALA B 79 7.566 -4.033 3.138 1.00 0.00 C ATOM 0 H ALA B 79 5.669 -2.545 3.437 1.00 0.00 H new ATOM 0 HA ALA B 79 7.829 -2.565 1.619 1.00 0.00 H new ATOM 0 HB1 ALA B 79 8.380 -4.658 2.772 1.00 0.00 H new ATOM 0 HB2 ALA B 79 7.938 -3.378 3.926 1.00 0.00 H new ATOM 0 HB3 ALA B 79 6.774 -4.666 3.537 1.00 0.00 H new ATOM 2724 N LEU B 80 5.386 -4.718 0.967 1.00 0.00 N ATOM 2725 CA LEU B 80 4.768 -5.509 -0.099 1.00 0.00 C ATOM 2726 C LEU B 80 4.658 -4.661 -1.378 1.00 0.00 C ATOM 2727 O LEU B 80 5.228 -4.979 -2.432 1.00 0.00 O ATOM 2728 CB LEU B 80 3.423 -6.030 0.447 1.00 0.00 C ATOM 2729 CG LEU B 80 2.449 -6.768 -0.485 1.00 0.00 C ATOM 2730 CD1 LEU B 80 1.527 -5.826 -1.263 1.00 0.00 C ATOM 2731 CD2 LEU B 80 3.156 -7.737 -1.427 1.00 0.00 C ATOM 0 H LEU B 80 4.859 -4.731 1.840 1.00 0.00 H new ATOM 0 HA LEU B 80 5.366 -6.374 -0.387 1.00 0.00 H new ATOM 0 HB2 LEU B 80 3.648 -6.700 1.277 1.00 0.00 H new ATOM 0 HB3 LEU B 80 2.889 -5.175 0.863 1.00 0.00 H new ATOM 0 HG LEU B 80 1.816 -7.357 0.179 1.00 0.00 H new ATOM 0 HD11 LEU B 80 0.865 -6.410 -1.902 1.00 0.00 H new ATOM 0 HD12 LEU B 80 0.932 -5.240 -0.563 1.00 0.00 H new ATOM 0 HD13 LEU B 80 2.127 -5.156 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU B 80 2.420 -8.230 -2.062 1.00 0.00 H new ATOM 0 HD22 LEU B 80 3.863 -7.189 -2.050 1.00 0.00 H new ATOM 0 HD23 LEU B 80 3.692 -8.486 -0.844 1.00 0.00 H new ATOM 2743 N ALA B 81 3.952 -3.540 -1.236 1.00 0.00 N ATOM 2744 CA ALA B 81 3.731 -2.552 -2.271 1.00 0.00 C ATOM 2745 C ALA B 81 5.043 -2.180 -2.951 1.00 0.00 C ATOM 2746 O ALA B 81 5.144 -2.286 -4.170 1.00 0.00 O ATOM 2747 CB ALA B 81 3.061 -1.323 -1.651 1.00 0.00 C ATOM 0 H ALA B 81 3.502 -3.292 -0.355 1.00 0.00 H new ATOM 0 HA ALA B 81 3.076 -2.967 -3.037 1.00 0.00 H new ATOM 0 HB1 ALA B 81 2.891 -0.573 -2.423 1.00 0.00 H new ATOM 0 HB2 ALA B 81 2.107 -1.612 -1.209 1.00 0.00 H new ATOM 0 HB3 ALA B 81 3.707 -0.907 -0.878 1.00 0.00 H new ATOM 2753 N MET B 82 6.034 -1.742 -2.176 1.00 0.00 N ATOM 2754 CA MET B 82 7.307 -1.268 -2.694 1.00 0.00 C ATOM 2755 C MET B 82 8.113 -2.389 -3.354 1.00 0.00 C ATOM 2756 O MET B 82 8.755 -2.160 -4.376 1.00 0.00 O ATOM 2757 CB MET B 82 8.071 -0.568 -1.564 1.00 0.00 C ATOM 2758 CG MET B 82 9.455 -0.075 -2.003 1.00 0.00 C ATOM 2759 SD MET B 82 10.071 1.377 -1.112 1.00 0.00 S ATOM 2760 CE MET B 82 10.014 0.790 0.593 1.00 0.00 C ATOM 0 H MET B 82 5.970 -1.708 -1.159 1.00 0.00 H new ATOM 0 HA MET B 82 7.128 -0.545 -3.489 1.00 0.00 H new ATOM 0 HB2 MET B 82 7.485 0.278 -1.205 1.00 0.00 H new ATOM 0 HB3 MET B 82 8.184 -1.256 -0.726 1.00 0.00 H new ATOM 0 HG2 MET B 82 10.170 -0.889 -1.879 1.00 0.00 H new ATOM 0 HG3 MET B 82 9.420 0.159 -3.067 1.00 0.00 H new ATOM 0 HE1 MET B 82 10.447 1.543 1.252 1.00 0.00 H new ATOM 0 HE2 MET B 82 8.978 0.609 0.881 1.00 0.00 H new ATOM 0 HE3 MET B 82 10.582 -0.137 0.678 1.00 0.00 H new ATOM 2770 N ILE B 83 8.110 -3.595 -2.780 1.00 0.00 N ATOM 2771 CA ILE B 83 8.892 -4.691 -3.327 1.00 0.00 C ATOM 2772 C ILE B 83 8.356 -5.082 -4.704 1.00 0.00 C ATOM 2773 O ILE B 83 9.172 -5.284 -5.608 1.00 0.00 O ATOM 2774 CB ILE B 83 9.020 -5.876 -2.355 1.00 0.00 C ATOM 2775 CG1 ILE B 83 9.818 -5.474 -1.101 1.00 0.00 C ATOM 2776 CG2 ILE B 83 9.763 -7.039 -3.039 1.00 0.00 C ATOM 2777 CD1 ILE B 83 9.546 -6.438 0.060 1.00 0.00 C ATOM 0 H ILE B 83 7.577 -3.830 -1.943 1.00 0.00 H new ATOM 0 HA ILE B 83 9.917 -4.345 -3.464 1.00 0.00 H new ATOM 0 HB ILE B 83 8.013 -6.179 -2.068 1.00 0.00 H new ATOM 0 HG12 ILE B 83 10.883 -5.468 -1.331 1.00 0.00 H new ATOM 0 HG13 ILE B 83 9.550 -4.460 -0.806 1.00 0.00 H new ATOM 0 HG21 ILE B 83 9.850 -7.874 -2.344 1.00 0.00 H new ATOM 0 HG22 ILE B 83 9.207 -7.357 -3.921 1.00 0.00 H new ATOM 0 HG23 ILE B 83 10.759 -6.710 -3.336 1.00 0.00 H new ATOM 0 HD11 ILE B 83 10.123 -6.129 0.932 1.00 0.00 H new ATOM 0 HD12 ILE B 83 8.484 -6.423 0.304 1.00 0.00 H new ATOM 0 HD13 ILE B 83 9.838 -7.448 -0.229 1.00 0.00 H new ATOM 2789 N TYR B 84 7.027 -5.188 -4.893 1.00 0.00 N ATOM 2790 CA TYR B 84 6.535 -5.458 -6.249 1.00 0.00 C ATOM 2791 C TYR B 84 6.516 -4.213 -7.149 1.00 0.00 C ATOM 2792 O TYR B 84 6.941 -4.293 -8.301 1.00 0.00 O ATOM 2793 CB TYR B 84 5.350 -6.436 -6.347 1.00 0.00 C ATOM 2794 CG TYR B 84 4.069 -6.208 -5.567 1.00 0.00 C ATOM 2795 CD1 TYR B 84 3.353 -5.004 -5.698 1.00 0.00 C ATOM 2796 CD2 TYR B 84 3.414 -7.339 -5.046 1.00 0.00 C ATOM 2797 CE1 TYR B 84 2.019 -4.920 -5.258 1.00 0.00 C ATOM 2798 CE2 TYR B 84 2.097 -7.253 -4.573 1.00 0.00 C ATOM 2799 CZ TYR B 84 1.387 -6.046 -4.701 1.00 0.00 C ATOM 2800 OH TYR B 84 0.070 -5.991 -4.355 1.00 0.00 O ATOM 0 H TYR B 84 6.314 -5.097 -4.169 1.00 0.00 H new ATOM 0 HA TYR B 84 7.301 -6.074 -6.720 1.00 0.00 H new ATOM 0 HB2 TYR B 84 5.074 -6.495 -7.400 1.00 0.00 H new ATOM 0 HB3 TYR B 84 5.725 -7.418 -6.060 1.00 0.00 H new ATOM 0 HD1 TYR B 84 3.829 -4.140 -6.138 1.00 0.00 H new ATOM 0 HD2 TYR B 84 3.932 -8.286 -5.010 1.00 0.00 H new ATOM 0 HE1 TYR B 84 1.479 -3.989 -5.348 1.00 0.00 H new ATOM 0 HE2 TYR B 84 1.630 -8.111 -4.112 1.00 0.00 H new ATOM 0 HH TYR B 84 -0.412 -5.423 -4.992 1.00 0.00 H new ATOM 2810 N ASN B 85 6.130 -3.039 -6.641 1.00 0.00 N ATOM 2811 CA ASN B 85 6.284 -1.785 -7.384 1.00 0.00 C ATOM 2812 C ASN B 85 7.729 -1.312 -7.253 1.00 0.00 C ATOM 2813 O ASN B 85 7.987 -0.271 -6.647 1.00 0.00 O ATOM 2814 CB ASN B 85 5.331 -0.682 -6.898 1.00 0.00 C ATOM 2815 CG ASN B 85 3.863 -1.011 -7.119 1.00 0.00 C ATOM 2816 OD1 ASN B 85 3.293 -0.704 -8.160 1.00 0.00 O ATOM 2817 ND2 ASN B 85 3.232 -1.614 -6.121 1.00 0.00 N ATOM 0 H ASN B 85 5.709 -2.931 -5.718 1.00 0.00 H new ATOM 0 HA ASN B 85 6.030 -1.982 -8.425 1.00 0.00 H new ATOM 0 HB2 ASN B 85 5.501 -0.508 -5.835 1.00 0.00 H new ATOM 0 HB3 ASN B 85 5.569 0.247 -7.415 1.00 0.00 H new ATOM 0 HD21 ASN B 85 2.240 -1.837 -6.205 1.00 0.00 H new ATOM 0 HD22 ASN B 85 3.738 -1.855 -5.269 1.00 0.00 H new ATOM 2824 N GLU B 86 8.655 -2.076 -7.842 1.00 0.00 N ATOM 2825 CA GLU B 86 10.098 -1.850 -7.804 1.00 0.00 C ATOM 2826 C GLU B 86 10.483 -0.367 -7.884 1.00 0.00 C ATOM 2827 O GLU B 86 11.347 0.088 -7.139 1.00 0.00 O ATOM 2828 CB GLU B 86 10.803 -2.711 -8.868 1.00 0.00 C ATOM 2829 CG GLU B 86 10.585 -2.289 -10.332 1.00 0.00 C ATOM 2830 CD GLU B 86 9.118 -2.295 -10.755 1.00 0.00 C ATOM 2831 OE1 GLU B 86 8.638 -3.385 -11.130 1.00 0.00 O ATOM 2832 OE2 GLU B 86 8.504 -1.207 -10.678 1.00 0.00 O ATOM 0 H GLU B 86 8.405 -2.905 -8.381 1.00 0.00 H new ATOM 0 HA GLU B 86 10.453 -2.172 -6.825 1.00 0.00 H new ATOM 0 HB2 GLU B 86 11.874 -2.701 -8.664 1.00 0.00 H new ATOM 0 HB3 GLU B 86 10.466 -3.741 -8.754 1.00 0.00 H new ATOM 0 HG2 GLU B 86 10.993 -1.289 -10.478 1.00 0.00 H new ATOM 0 HG3 GLU B 86 11.145 -2.960 -10.983 1.00 0.00 H new ATOM 2839 N ALA B 87 9.814 0.383 -8.767 1.00 0.00 N ATOM 2840 CA ALA B 87 9.870 1.835 -8.882 1.00 0.00 C ATOM 2841 C ALA B 87 10.092 2.531 -7.534 1.00 0.00 C ATOM 2842 O ALA B 87 11.032 3.310 -7.367 1.00 0.00 O ATOM 2843 CB ALA B 87 8.552 2.307 -9.505 1.00 0.00 C ATOM 0 H ALA B 87 9.187 -0.034 -9.455 1.00 0.00 H new ATOM 0 HA ALA B 87 10.723 2.100 -9.506 1.00 0.00 H new ATOM 0 HB1 ALA B 87 8.564 3.392 -9.604 1.00 0.00 H new ATOM 0 HB2 ALA B 87 8.432 1.854 -10.489 1.00 0.00 H new ATOM 0 HB3 ALA B 87 7.721 2.010 -8.866 1.00 0.00 H new ATOM 2849 N LEU B 88 9.224 2.243 -6.561 1.00 0.00 N ATOM 2850 CA LEU B 88 9.211 2.924 -5.275 1.00 0.00 C ATOM 2851 C LEU B 88 10.502 2.729 -4.482 1.00 0.00 C ATOM 2852 O LEU B 88 10.725 3.471 -3.537 1.00 0.00 O ATOM 2853 CB LEU B 88 8.008 2.465 -4.443 1.00 0.00 C ATOM 2854 CG LEU B 88 6.658 2.948 -4.990 1.00 0.00 C ATOM 2855 CD1 LEU B 88 5.540 2.256 -4.205 1.00 0.00 C ATOM 2856 CD2 LEU B 88 6.489 4.466 -4.838 1.00 0.00 C ATOM 0 H LEU B 88 8.506 1.524 -6.650 1.00 0.00 H new ATOM 0 HA LEU B 88 9.128 3.990 -5.487 1.00 0.00 H new ATOM 0 HB2 LEU B 88 8.003 1.376 -4.398 1.00 0.00 H new ATOM 0 HB3 LEU B 88 8.126 2.825 -3.421 1.00 0.00 H new ATOM 0 HG LEU B 88 6.615 2.704 -6.052 1.00 0.00 H new ATOM 0 HD11 LEU B 88 4.572 2.588 -4.581 1.00 0.00 H new ATOM 0 HD12 LEU B 88 5.625 1.176 -4.326 1.00 0.00 H new ATOM 0 HD13 LEU B 88 5.626 2.511 -3.149 1.00 0.00 H new ATOM 0 HD21 LEU B 88 5.520 4.766 -5.238 1.00 0.00 H new ATOM 0 HD22 LEU B 88 6.545 4.735 -3.783 1.00 0.00 H new ATOM 0 HD23 LEU B 88 7.281 4.977 -5.385 1.00 0.00 H new