USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1072 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 85 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 89 GLN : amide:sc= -0.0125 X(o=-0.012,f=-0.47) USER MOD Set 2.1: A 53 ASN : amide:sc= -0.192 K(o=1,f=-2.5!) USER MOD Set 2.2: A 57 THR OG1 : rot 138:sc= 1.23 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 167:sc=-0.000108 (180deg=-0.142) USER MOD Set 3.2: A 11 ASN : amide:sc= -0.0371 K(o=-0.037,f=-1.2) USER MOD Single : A 1 SER N :NH3+ 151:sc= 0.054 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0469 USER MOD Single : A 5 MET CE :methyl -163:sc= -0.112 (180deg=-0.589) USER MOD Single : A 7 ASN : amide:sc=-0.00782 K(o=-0.0078,f=-1.4) USER MOD Single : A 9 SER OG : rot 135:sc= 1.2 USER MOD Single : A 10 ASN : amide:sc= -0.497 X(o=-0.5,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 169:sc= -0.0034 (180deg=-0.124) USER MOD Single : A 16 MET CE :methyl 153:sc= -0.157 (180deg=-0.968) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 166:sc= -0.0782 (180deg=-0.374) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.0624 USER MOD Single : A 35 ASN : amide:sc= -0.514 K(o=-0.51,f=-2.5) USER MOD Single : A 38 LYS NZ :NH3+ 168:sc=-0.00455 (180deg=-0.117) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 147:sc= -0.794 (180deg=-1.64) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0103 USER MOD Single : A 58 LYS NZ :NH3+ 162:sc= 1.13 (180deg=0.0438!) USER MOD Single : A 67 ASN :FLIP amide:sc= -1.5 F(o=-4.5!,f=-1.5) USER MOD Single : A 69 HIS : no HE2:sc= -0.905 K(o=-0.9,f=-1.6) USER MOD Single : A 70 HIS :FLIP no HE2:sc= -0.205 F(o=-1.3,f=-0.21) USER MOD Single : A 72 ASN : amide:sc= -0.632 K(o=-0.63,f=-2!) USER MOD Single : A 74 LYS NZ :NH3+ 173:sc= -4.21! (180deg=-4.45!) USER MOD Single : A 78 MET CE :methyl 179:sc= -1.44 (180deg=-1.52) USER MOD Single : A 79 LYS NZ :NH3+ -174:sc= 0.593 (180deg=0.454) USER MOD Single : A 80 HIS :FLIP no HD1:sc= -1.38 F(o=-2.7!,f=-1.4) USER MOD Single : A 86 MET CE :methyl 156:sc= -0.122 (180deg=-1.29) USER MOD Single : A 88 GLN : amide:sc= -0.0316 K(o=-0.032,f=-3.3!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ -167:sc= -0.0217 (180deg=-0.214) USER MOD Single : A 100 SER OG : rot 78:sc= 1.03 USER MOD Single : A 104 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 107 LYS NZ :NH3+ -108:sc= -1.12 (180deg=-3.53!) USER MOD Single : A 109 MET CE :methyl 171:sc= -4.98! (180deg=-5.37!) USER MOD Single : A 110 LYS NZ :NH3+ 145:sc= 1.18 (180deg=-0.171) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl -122:sc= -0.808 (180deg=-4.61!) USER MOD Single : A 119 LYS NZ :NH3+ 178:sc= -0.0483 (180deg=-0.055) USER MOD Single : A 120 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.013) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 124 LYS NZ :NH3+ 159:sc= -0.0606 (180deg=-0.336) USER MOD Single : A 126 ASN : amide:sc= -0.286 K(o=-0.29,f=-1.2) USER MOD Single : A 130 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 131 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -7.237 -16.492 -2.240 1.00 0.00 N ATOM 2 CA SER A 1 -7.873 -16.184 -0.950 1.00 0.00 C ATOM 3 C SER A 1 -8.251 -14.708 -0.889 1.00 0.00 C ATOM 4 O SER A 1 -7.378 -13.837 -0.866 1.00 0.00 O ATOM 5 CB SER A 1 -6.916 -16.535 0.186 1.00 0.00 C ATOM 6 OG SER A 1 -6.440 -17.863 0.051 1.00 0.00 O ATOM 0 H1 SER A 1 -6.571 -17.282 -2.119 1.00 0.00 H new ATOM 0 H2 SER A 1 -7.966 -16.757 -2.932 1.00 0.00 H new ATOM 0 H3 SER A 1 -6.723 -15.655 -2.582 1.00 0.00 H new ATOM 0 HA SER A 1 -8.782 -16.776 -0.846 1.00 0.00 H new ATOM 0 HB2 SER A 1 -6.075 -15.841 0.187 1.00 0.00 H new ATOM 0 HB3 SER A 1 -7.424 -16.422 1.144 1.00 0.00 H new ATOM 0 HG SER A 1 -5.827 -18.067 0.788 1.00 0.00 H new ATOM 14 N PRO A 2 -9.563 -14.409 -0.874 1.00 0.00 N ATOM 15 CA PRO A 2 -10.070 -13.031 -0.843 1.00 0.00 C ATOM 16 C PRO A 2 -9.566 -12.250 0.367 1.00 0.00 C ATOM 17 O PRO A 2 -9.547 -11.026 0.356 1.00 0.00 O ATOM 18 CB PRO A 2 -11.592 -13.202 -0.768 1.00 0.00 C ATOM 19 CG PRO A 2 -11.852 -14.573 -1.283 1.00 0.00 C ATOM 20 CD PRO A 2 -10.657 -15.395 -0.894 1.00 0.00 C ATOM 0 HA PRO A 2 -9.735 -12.462 -1.711 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -11.952 -13.090 0.255 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -12.104 -12.451 -1.370 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -12.765 -14.985 -0.853 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -11.984 -14.565 -2.365 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -10.792 -15.866 0.079 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.467 -16.193 -1.611 1.00 0.00 H new ATOM 28 N GLU A 3 -9.159 -12.980 1.400 1.00 0.00 N ATOM 29 CA GLU A 3 -8.588 -12.394 2.613 1.00 0.00 C ATOM 30 C GLU A 3 -7.488 -11.383 2.292 1.00 0.00 C ATOM 31 O GLU A 3 -7.660 -10.184 2.512 1.00 0.00 O ATOM 32 CB GLU A 3 -8.019 -13.490 3.521 1.00 0.00 C ATOM 33 CG GLU A 3 -9.071 -14.371 4.183 1.00 0.00 C ATOM 34 CD GLU A 3 -9.943 -15.113 3.189 1.00 0.00 C ATOM 35 OE1 GLU A 3 -9.411 -15.597 2.169 1.00 0.00 O ATOM 36 OE2 GLU A 3 -11.166 -15.207 3.421 1.00 0.00 O ATOM 0 H GLU A 3 -9.215 -13.998 1.422 1.00 0.00 H new ATOM 0 HA GLU A 3 -9.395 -11.871 3.127 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.352 -14.121 2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.414 -13.023 4.298 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.575 -15.094 4.831 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.703 -13.753 4.821 1.00 0.00 H new ATOM 43 N ILE A 4 -6.361 -11.866 1.771 1.00 0.00 N ATOM 44 CA ILE A 4 -5.237 -10.999 1.470 1.00 0.00 C ATOM 45 C ILE A 4 -5.460 -10.224 0.164 1.00 0.00 C ATOM 46 O ILE A 4 -4.755 -9.256 -0.131 1.00 0.00 O ATOM 47 CB ILE A 4 -3.922 -11.813 1.388 1.00 0.00 C ATOM 48 CG1 ILE A 4 -2.704 -10.888 1.392 1.00 0.00 C ATOM 49 CG2 ILE A 4 -3.915 -12.702 0.151 1.00 0.00 C ATOM 50 CD1 ILE A 4 -2.492 -10.175 2.710 1.00 0.00 C ATOM 0 H ILE A 4 -6.208 -12.850 1.551 1.00 0.00 H new ATOM 0 HA ILE A 4 -5.154 -10.277 2.283 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.866 -12.451 2.270 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.814 -11.471 1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.818 -10.147 0.601 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.982 -13.265 0.113 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.755 -13.395 0.196 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.002 -12.083 -0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.611 -9.536 2.641 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.366 -9.565 2.938 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.346 -10.910 3.502 1.00 0.00 H new ATOM 62 N MET A 5 -6.444 -10.656 -0.617 1.00 0.00 N ATOM 63 CA MET A 5 -6.764 -10.009 -1.880 1.00 0.00 C ATOM 64 C MET A 5 -7.604 -8.755 -1.660 1.00 0.00 C ATOM 65 O MET A 5 -7.662 -7.878 -2.525 1.00 0.00 O ATOM 66 CB MET A 5 -7.499 -10.983 -2.798 1.00 0.00 C ATOM 67 CG MET A 5 -6.590 -12.007 -3.459 1.00 0.00 C ATOM 68 SD MET A 5 -5.322 -11.250 -4.498 1.00 0.00 S ATOM 69 CE MET A 5 -6.331 -10.408 -5.717 1.00 0.00 C ATOM 0 H MET A 5 -7.036 -11.456 -0.394 1.00 0.00 H new ATOM 0 HA MET A 5 -5.829 -9.709 -2.353 1.00 0.00 H new ATOM 0 HB2 MET A 5 -8.262 -11.506 -2.221 1.00 0.00 H new ATOM 0 HB3 MET A 5 -8.017 -10.417 -3.572 1.00 0.00 H new ATOM 0 HG2 MET A 5 -6.110 -12.610 -2.689 1.00 0.00 H new ATOM 0 HG3 MET A 5 -7.193 -12.684 -4.064 1.00 0.00 H new ATOM 0 HE1 MET A 5 -5.719 -10.153 -6.583 1.00 0.00 H new ATOM 0 HE2 MET A 5 -7.146 -11.061 -6.028 1.00 0.00 H new ATOM 0 HE3 MET A 5 -6.742 -9.497 -5.282 1.00 0.00 H new ATOM 79 N LYS A 6 -8.265 -8.683 -0.515 1.00 0.00 N ATOM 80 CA LYS A 6 -9.105 -7.543 -0.188 1.00 0.00 C ATOM 81 C LYS A 6 -8.296 -6.483 0.548 1.00 0.00 C ATOM 82 O LYS A 6 -7.836 -6.704 1.669 1.00 0.00 O ATOM 83 CB LYS A 6 -10.294 -7.986 0.665 1.00 0.00 C ATOM 84 CG LYS A 6 -11.309 -6.888 0.924 1.00 0.00 C ATOM 85 CD LYS A 6 -12.425 -7.378 1.827 1.00 0.00 C ATOM 86 CE LYS A 6 -13.514 -6.334 1.992 1.00 0.00 C ATOM 87 NZ LYS A 6 -14.267 -6.103 0.731 1.00 0.00 N ATOM 0 H LYS A 6 -8.235 -9.404 0.206 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.482 -7.113 -1.116 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.793 -8.819 0.170 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.924 -8.358 1.620 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.814 -6.032 1.384 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.727 -6.544 -0.022 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.855 -8.290 1.412 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.016 -7.635 2.804 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.205 -6.653 2.772 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.069 -5.396 2.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -15.129 -5.558 0.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.672 -5.572 0.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.528 -7.017 0.310 1.00 0.00 H new ATOM 101 N ASN A 7 -8.124 -5.337 -0.087 1.00 0.00 N ATOM 102 CA ASN A 7 -7.356 -4.251 0.505 1.00 0.00 C ATOM 103 C ASN A 7 -8.257 -3.358 1.342 1.00 0.00 C ATOM 104 O ASN A 7 -9.357 -2.999 0.917 1.00 0.00 O ATOM 105 CB ASN A 7 -6.658 -3.413 -0.572 1.00 0.00 C ATOM 106 CG ASN A 7 -5.490 -4.132 -1.222 1.00 0.00 C ATOM 107 OD1 ASN A 7 -5.502 -5.351 -1.384 1.00 0.00 O ATOM 108 ND2 ASN A 7 -4.466 -3.381 -1.591 1.00 0.00 N ATOM 0 H ASN A 7 -8.504 -5.133 -1.011 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.594 -4.696 1.145 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.383 -3.142 -1.340 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.303 -2.484 -0.127 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.650 -3.810 -2.027 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.493 -2.373 -1.440 1.00 0.00 H new ATOM 115 N LEU A 8 -7.790 -3.003 2.536 1.00 0.00 N ATOM 116 CA LEU A 8 -8.547 -2.123 3.423 1.00 0.00 C ATOM 117 C LEU A 8 -8.846 -0.790 2.751 1.00 0.00 C ATOM 118 O LEU A 8 -9.982 -0.325 2.762 1.00 0.00 O ATOM 119 CB LEU A 8 -7.798 -1.876 4.737 1.00 0.00 C ATOM 120 CG LEU A 8 -7.892 -2.995 5.778 1.00 0.00 C ATOM 121 CD1 LEU A 8 -6.994 -4.171 5.418 1.00 0.00 C ATOM 122 CD2 LEU A 8 -7.542 -2.452 7.150 1.00 0.00 C ATOM 0 H LEU A 8 -6.893 -3.310 2.912 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.488 -2.627 3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.746 -1.707 4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.179 -0.957 5.183 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.918 -3.363 5.791 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.087 -4.946 6.179 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.293 -4.575 4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.958 -3.835 5.366 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.611 -3.253 7.887 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.526 -2.057 7.137 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.237 -1.655 7.414 1.00 0.00 H new ATOM 134 N SER A 9 -7.823 -0.187 2.157 1.00 0.00 N ATOM 135 CA SER A 9 -7.972 1.102 1.496 1.00 0.00 C ATOM 136 C SER A 9 -8.980 1.017 0.351 1.00 0.00 C ATOM 137 O SER A 9 -9.758 1.946 0.129 1.00 0.00 O ATOM 138 CB SER A 9 -6.617 1.580 0.977 1.00 0.00 C ATOM 139 OG SER A 9 -5.635 1.515 2.001 1.00 0.00 O ATOM 0 H SER A 9 -6.879 -0.572 2.120 1.00 0.00 H new ATOM 0 HA SER A 9 -8.349 1.821 2.223 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.309 0.965 0.131 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.702 2.604 0.613 1.00 0.00 H new ATOM 0 HG SER A 9 -4.812 1.124 1.641 1.00 0.00 H new ATOM 145 N ASN A 10 -8.971 -0.114 -0.352 1.00 0.00 N ATOM 146 CA ASN A 10 -9.875 -0.336 -1.479 1.00 0.00 C ATOM 147 C ASN A 10 -11.311 -0.514 -0.996 1.00 0.00 C ATOM 148 O ASN A 10 -12.253 -0.053 -1.640 1.00 0.00 O ATOM 149 CB ASN A 10 -9.438 -1.576 -2.269 1.00 0.00 C ATOM 150 CG ASN A 10 -10.343 -1.888 -3.450 1.00 0.00 C ATOM 151 OD1 ASN A 10 -10.585 -3.053 -3.767 1.00 0.00 O ATOM 152 ND2 ASN A 10 -10.830 -0.858 -4.124 1.00 0.00 N ATOM 0 H ASN A 10 -8.344 -0.895 -0.159 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.832 0.539 -2.127 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.420 -1.428 -2.630 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -9.417 -2.436 -1.599 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -11.427 -1.016 -4.936 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -10.608 0.094 -3.832 1.00 0.00 H new ATOM 159 N ASN A 11 -11.471 -1.180 0.140 1.00 0.00 N ATOM 160 CA ASN A 11 -12.795 -1.387 0.716 1.00 0.00 C ATOM 161 C ASN A 11 -13.335 -0.083 1.288 1.00 0.00 C ATOM 162 O ASN A 11 -14.413 0.374 0.911 1.00 0.00 O ATOM 163 CB ASN A 11 -12.738 -2.460 1.810 1.00 0.00 C ATOM 164 CG ASN A 11 -14.071 -2.649 2.518 1.00 0.00 C ATOM 165 OD1 ASN A 11 -14.921 -3.419 2.068 1.00 0.00 O ATOM 166 ND2 ASN A 11 -14.250 -1.971 3.642 1.00 0.00 N ATOM 0 H ASN A 11 -10.706 -1.585 0.679 1.00 0.00 H new ATOM 0 HA ASN A 11 -13.466 -1.726 -0.073 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.429 -3.407 1.368 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.978 -2.186 2.542 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -15.117 -2.077 4.169 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -13.521 -1.343 3.981 1.00 0.00 H new ATOM 173 N PHE A 12 -12.573 0.503 2.202 1.00 0.00 N ATOM 174 CA PHE A 12 -12.936 1.789 2.805 1.00 0.00 C ATOM 175 C PHE A 12 -13.097 2.926 1.779 1.00 0.00 C ATOM 176 O PHE A 12 -14.221 3.248 1.401 1.00 0.00 O ATOM 177 CB PHE A 12 -11.926 2.188 3.884 1.00 0.00 C ATOM 178 CG PHE A 12 -12.064 1.396 5.155 1.00 0.00 C ATOM 179 CD1 PHE A 12 -13.058 1.706 6.069 1.00 0.00 C ATOM 180 CD2 PHE A 12 -11.207 0.346 5.434 1.00 0.00 C ATOM 181 CE1 PHE A 12 -13.193 0.981 7.239 1.00 0.00 C ATOM 182 CE2 PHE A 12 -11.335 -0.381 6.601 1.00 0.00 C ATOM 183 CZ PHE A 12 -12.330 -0.063 7.504 1.00 0.00 C ATOM 0 H PHE A 12 -11.696 0.111 2.546 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.915 1.640 3.260 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.917 2.059 3.492 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.047 3.247 4.110 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -13.735 2.523 5.866 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.428 0.092 4.730 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -13.972 1.231 7.944 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.658 -1.197 6.807 1.00 0.00 H new ATOM 0 HZ PHE A 12 -12.433 -0.631 8.417 1.00 0.00 H new ATOM 193 N GLY A 13 -11.990 3.531 1.316 1.00 0.00 N ATOM 194 CA GLY A 13 -12.098 4.727 0.490 1.00 0.00 C ATOM 195 C GLY A 13 -12.931 5.824 1.147 1.00 0.00 C ATOM 196 O GLY A 13 -13.733 6.483 0.484 1.00 0.00 O ATOM 0 H GLY A 13 -11.037 3.216 1.498 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.099 5.111 0.281 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.545 4.462 -0.468 1.00 0.00 H new ATOM 200 N LYS A 14 -12.728 6.026 2.447 1.00 0.00 N ATOM 201 CA LYS A 14 -13.513 6.984 3.216 1.00 0.00 C ATOM 202 C LYS A 14 -12.968 8.393 3.029 1.00 0.00 C ATOM 203 O LYS A 14 -13.721 9.364 2.959 1.00 0.00 O ATOM 204 CB LYS A 14 -13.486 6.604 4.697 1.00 0.00 C ATOM 205 CG LYS A 14 -14.468 7.387 5.550 1.00 0.00 C ATOM 206 CD LYS A 14 -14.312 7.050 7.023 1.00 0.00 C ATOM 207 CE LYS A 14 -12.999 7.576 7.579 1.00 0.00 C ATOM 208 NZ LYS A 14 -12.986 9.062 7.669 1.00 0.00 N ATOM 0 H LYS A 14 -12.020 5.534 2.992 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.542 6.962 2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.704 5.540 4.793 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.479 6.760 5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.311 8.455 5.401 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.487 7.167 5.230 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.143 7.476 7.585 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.358 5.969 7.157 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.828 7.152 8.568 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.178 7.244 6.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.159 9.369 8.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.935 9.467 6.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.855 9.389 8.138 1.00 0.00 H new ATOM 222 N ALA A 15 -11.651 8.492 2.940 1.00 0.00 N ATOM 223 CA ALA A 15 -10.981 9.774 2.804 1.00 0.00 C ATOM 224 C ALA A 15 -9.787 9.630 1.877 1.00 0.00 C ATOM 225 O ALA A 15 -8.653 9.961 2.229 1.00 0.00 O ATOM 226 CB ALA A 15 -10.549 10.291 4.171 1.00 0.00 C ATOM 0 H ALA A 15 -11.020 7.691 2.960 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.672 10.498 2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.048 11.252 4.055 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.425 10.413 4.807 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.864 9.578 4.630 1.00 0.00 H new ATOM 232 N MET A 16 -10.062 9.140 0.677 1.00 0.00 N ATOM 233 CA MET A 16 -9.026 8.891 -0.312 1.00 0.00 C ATOM 234 C MET A 16 -8.471 10.213 -0.817 1.00 0.00 C ATOM 235 O MET A 16 -7.272 10.354 -1.027 1.00 0.00 O ATOM 236 CB MET A 16 -9.601 8.076 -1.475 1.00 0.00 C ATOM 237 CG MET A 16 -8.567 7.655 -2.505 1.00 0.00 C ATOM 238 SD MET A 16 -7.402 6.430 -1.873 1.00 0.00 S ATOM 239 CE MET A 16 -8.496 5.046 -1.564 1.00 0.00 C ATOM 0 H MET A 16 -11.004 8.905 0.364 1.00 0.00 H new ATOM 0 HA MET A 16 -8.218 8.322 0.147 1.00 0.00 H new ATOM 0 HB2 MET A 16 -10.085 7.185 -1.076 1.00 0.00 H new ATOM 0 HB3 MET A 16 -10.374 8.664 -1.970 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.077 7.247 -3.378 1.00 0.00 H new ATOM 0 HG3 MET A 16 -8.016 8.534 -2.839 1.00 0.00 H new ATOM 0 HE1 MET A 16 -7.935 4.115 -1.639 1.00 0.00 H new ATOM 0 HE2 MET A 16 -8.920 5.134 -0.564 1.00 0.00 H new ATOM 0 HE3 MET A 16 -9.300 5.046 -2.300 1.00 0.00 H new ATOM 249 N ASP A 17 -9.360 11.190 -0.967 1.00 0.00 N ATOM 250 CA ASP A 17 -8.987 12.535 -1.405 1.00 0.00 C ATOM 251 C ASP A 17 -7.893 13.125 -0.530 1.00 0.00 C ATOM 252 O ASP A 17 -6.968 13.778 -1.022 1.00 0.00 O ATOM 253 CB ASP A 17 -10.211 13.453 -1.384 1.00 0.00 C ATOM 254 CG ASP A 17 -9.871 14.891 -1.732 1.00 0.00 C ATOM 255 OD1 ASP A 17 -9.495 15.653 -0.822 1.00 0.00 O ATOM 256 OD2 ASP A 17 -9.990 15.263 -2.919 1.00 0.00 O ATOM 0 H ASP A 17 -10.358 11.074 -0.789 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.603 12.456 -2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.953 13.079 -2.089 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.667 13.421 -0.395 1.00 0.00 H new ATOM 261 N GLN A 18 -7.969 12.858 0.760 1.00 0.00 N ATOM 262 CA GLN A 18 -7.083 13.517 1.697 1.00 0.00 C ATOM 263 C GLN A 18 -5.804 12.724 1.913 1.00 0.00 C ATOM 264 O GLN A 18 -4.763 13.303 2.208 1.00 0.00 O ATOM 265 CB GLN A 18 -7.789 13.787 3.025 1.00 0.00 C ATOM 266 CG GLN A 18 -8.808 14.912 2.943 1.00 0.00 C ATOM 267 CD GLN A 18 -9.113 15.500 4.305 1.00 0.00 C ATOM 268 OE1 GLN A 18 -10.024 15.050 4.999 1.00 0.00 O ATOM 269 NE2 GLN A 18 -8.341 16.494 4.706 1.00 0.00 N ATOM 0 H GLN A 18 -8.626 12.199 1.178 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.804 14.476 1.260 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.289 12.876 3.355 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -7.044 14.034 3.781 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.431 15.696 2.286 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.728 14.536 2.496 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -7.596 16.838 4.100 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -8.490 16.918 5.622 1.00 0.00 H new ATOM 278 N CYS A 19 -5.855 11.410 1.739 1.00 0.00 N ATOM 279 CA CYS A 19 -4.638 10.619 1.813 1.00 0.00 C ATOM 280 C CYS A 19 -3.855 10.801 0.514 1.00 0.00 C ATOM 281 O CYS A 19 -2.624 10.815 0.505 1.00 0.00 O ATOM 282 CB CYS A 19 -4.937 9.142 2.102 1.00 0.00 C ATOM 283 SG CYS A 19 -5.476 8.155 0.671 1.00 0.00 S ATOM 0 H CYS A 19 -6.706 10.881 1.550 1.00 0.00 H new ATOM 0 HA CYS A 19 -4.030 10.969 2.647 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.041 8.683 2.520 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -5.710 9.089 2.869 1.00 0.00 H new ATOM 288 N LYS A 20 -4.604 10.977 -0.571 1.00 0.00 N ATOM 289 CA LYS A 20 -4.051 11.324 -1.873 1.00 0.00 C ATOM 290 C LYS A 20 -3.257 12.626 -1.794 1.00 0.00 C ATOM 291 O LYS A 20 -2.111 12.695 -2.240 1.00 0.00 O ATOM 292 CB LYS A 20 -5.206 11.421 -2.887 1.00 0.00 C ATOM 293 CG LYS A 20 -5.091 12.514 -3.940 1.00 0.00 C ATOM 294 CD LYS A 20 -4.007 12.240 -4.964 1.00 0.00 C ATOM 295 CE LYS A 20 -3.990 13.325 -6.030 1.00 0.00 C ATOM 296 NZ LYS A 20 -3.829 14.682 -5.436 1.00 0.00 N ATOM 0 H LYS A 20 -5.620 10.882 -0.569 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.355 10.551 -2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.294 10.462 -3.398 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.133 11.574 -2.335 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.048 12.620 -4.452 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.886 13.465 -3.448 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.036 12.193 -4.470 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.176 11.269 -5.429 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.175 13.135 -6.729 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.917 13.286 -6.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.585 15.362 -6.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.719 14.970 -4.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.069 14.662 -4.726 1.00 0.00 H new ATOM 310 N ASP A 21 -3.863 13.646 -1.208 1.00 0.00 N ATOM 311 CA ASP A 21 -3.216 14.951 -1.096 1.00 0.00 C ATOM 312 C ASP A 21 -2.064 14.918 -0.091 1.00 0.00 C ATOM 313 O ASP A 21 -1.006 15.503 -0.326 1.00 0.00 O ATOM 314 CB ASP A 21 -4.230 16.024 -0.690 1.00 0.00 C ATOM 315 CG ASP A 21 -3.603 17.402 -0.600 1.00 0.00 C ATOM 316 OD1 ASP A 21 -3.326 18.005 -1.661 1.00 0.00 O ATOM 317 OD2 ASP A 21 -3.372 17.882 0.525 1.00 0.00 O ATOM 0 H ASP A 21 -4.798 13.600 -0.803 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.808 15.199 -2.076 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.044 16.044 -1.414 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.667 15.762 0.274 1.00 0.00 H new ATOM 322 N GLU A 22 -2.265 14.215 1.016 1.00 0.00 N ATOM 323 CA GLU A 22 -1.291 14.189 2.102 1.00 0.00 C ATOM 324 C GLU A 22 -0.013 13.448 1.684 1.00 0.00 C ATOM 325 O GLU A 22 1.092 13.887 1.999 1.00 0.00 O ATOM 326 CB GLU A 22 -1.927 13.548 3.341 1.00 0.00 C ATOM 327 CG GLU A 22 -1.430 14.095 4.672 1.00 0.00 C ATOM 328 CD GLU A 22 0.011 13.753 4.968 1.00 0.00 C ATOM 329 OE1 GLU A 22 0.348 12.551 4.990 1.00 0.00 O ATOM 330 OE2 GLU A 22 0.808 14.680 5.203 1.00 0.00 O ATOM 0 H GLU A 22 -3.098 13.652 1.187 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.001 15.212 2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.007 13.685 3.289 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.740 12.475 3.313 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.545 15.179 4.675 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.059 13.705 5.473 1.00 0.00 H new ATOM 337 N LEU A 23 -0.155 12.350 0.933 1.00 0.00 N ATOM 338 CA LEU A 23 1.015 11.593 0.474 1.00 0.00 C ATOM 339 C LEU A 23 1.677 12.300 -0.694 1.00 0.00 C ATOM 340 O LEU A 23 2.725 11.876 -1.184 1.00 0.00 O ATOM 341 CB LEU A 23 0.640 10.163 0.062 1.00 0.00 C ATOM 342 CG LEU A 23 0.040 9.313 1.177 1.00 0.00 C ATOM 343 CD1 LEU A 23 0.246 7.834 0.897 1.00 0.00 C ATOM 344 CD2 LEU A 23 0.657 9.710 2.498 1.00 0.00 C ATOM 0 H LEU A 23 -1.053 11.970 0.634 1.00 0.00 H new ATOM 0 HA LEU A 23 1.713 11.535 1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.072 10.212 -0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.532 9.663 -0.317 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.035 9.489 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.190 7.247 1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.237 7.571 -0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.313 7.622 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.229 9.103 3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.735 9.551 2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.453 10.763 2.693 1.00 0.00 H new ATOM 356 N SER A 24 1.036 13.375 -1.126 1.00 0.00 N ATOM 357 CA SER A 24 1.512 14.195 -2.223 1.00 0.00 C ATOM 358 C SER A 24 1.482 13.389 -3.508 1.00 0.00 C ATOM 359 O SER A 24 2.354 13.532 -4.367 1.00 0.00 O ATOM 360 CB SER A 24 2.920 14.712 -1.929 1.00 0.00 C ATOM 361 OG SER A 24 2.947 15.449 -0.716 1.00 0.00 O ATOM 0 H SER A 24 0.161 13.704 -0.718 1.00 0.00 H new ATOM 0 HA SER A 24 0.859 15.060 -2.339 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.613 13.873 -1.865 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.259 15.344 -2.750 1.00 0.00 H new ATOM 0 HG SER A 24 3.858 15.768 -0.547 1.00 0.00 H new ATOM 367 N LEU A 25 0.462 12.542 -3.631 1.00 0.00 N ATOM 368 CA LEU A 25 0.303 11.721 -4.822 1.00 0.00 C ATOM 369 C LEU A 25 0.035 12.613 -6.033 1.00 0.00 C ATOM 370 O LEU A 25 -0.942 13.363 -6.047 1.00 0.00 O ATOM 371 CB LEU A 25 -0.871 10.738 -4.678 1.00 0.00 C ATOM 372 CG LEU A 25 -0.736 9.597 -3.654 1.00 0.00 C ATOM 373 CD1 LEU A 25 -1.823 8.585 -3.909 1.00 0.00 C ATOM 374 CD2 LEU A 25 0.623 8.942 -3.733 1.00 0.00 C ATOM 0 H LEU A 25 -0.261 12.409 -2.924 1.00 0.00 H new ATOM 0 HA LEU A 25 1.225 11.155 -4.955 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.760 11.314 -4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.053 10.290 -5.655 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.838 10.009 -2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.738 7.771 -3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.797 9.063 -3.803 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.721 8.188 -4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.684 8.141 -2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.771 8.529 -4.731 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.396 9.683 -3.529 1.00 0.00 H new ATOM 386 N PRO A 26 0.901 12.560 -7.054 1.00 0.00 N ATOM 387 CA PRO A 26 0.660 13.221 -8.329 1.00 0.00 C ATOM 388 C PRO A 26 -0.392 12.469 -9.126 1.00 0.00 C ATOM 389 O PRO A 26 -0.680 11.301 -8.836 1.00 0.00 O ATOM 390 CB PRO A 26 2.018 13.176 -9.047 1.00 0.00 C ATOM 391 CG PRO A 26 2.992 12.688 -8.029 1.00 0.00 C ATOM 392 CD PRO A 26 2.198 11.887 -7.042 1.00 0.00 C ATOM 0 HA PRO A 26 0.289 14.239 -8.208 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.984 12.509 -9.909 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.299 14.162 -9.418 1.00 0.00 H new ATOM 0 HG2 PRO A 26 3.767 12.077 -8.493 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.494 13.522 -7.539 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.115 10.842 -7.341 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.652 11.900 -6.051 1.00 0.00 H new ATOM 400 N ASP A 27 -0.951 13.122 -10.131 1.00 0.00 N ATOM 401 CA ASP A 27 -2.053 12.547 -10.887 1.00 0.00 C ATOM 402 C ASP A 27 -1.633 11.265 -11.594 1.00 0.00 C ATOM 403 O ASP A 27 -2.430 10.342 -11.730 1.00 0.00 O ATOM 404 CB ASP A 27 -2.599 13.548 -11.901 1.00 0.00 C ATOM 405 CG ASP A 27 -1.697 13.724 -13.105 1.00 0.00 C ATOM 406 OD1 ASP A 27 -0.622 14.342 -12.958 1.00 0.00 O ATOM 407 OD2 ASP A 27 -2.056 13.242 -14.198 1.00 0.00 O ATOM 0 H ASP A 27 -0.661 14.049 -10.443 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.842 12.302 -10.176 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.582 13.218 -12.236 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.736 14.513 -11.413 1.00 0.00 H new ATOM 412 N SER A 28 -0.371 11.198 -12.001 1.00 0.00 N ATOM 413 CA SER A 28 0.141 10.053 -12.741 1.00 0.00 C ATOM 414 C SER A 28 0.099 8.780 -11.899 1.00 0.00 C ATOM 415 O SER A 28 -0.466 7.768 -12.314 1.00 0.00 O ATOM 416 CB SER A 28 1.572 10.338 -13.191 1.00 0.00 C ATOM 417 OG SER A 28 1.656 11.612 -13.804 1.00 0.00 O ATOM 0 H SER A 28 0.320 11.929 -11.829 1.00 0.00 H new ATOM 0 HA SER A 28 -0.495 9.895 -13.612 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.244 10.296 -12.334 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.899 9.569 -13.891 1.00 0.00 H new ATOM 0 HG SER A 28 2.580 11.780 -14.085 1.00 0.00 H new ATOM 423 N VAL A 29 0.677 8.842 -10.707 1.00 0.00 N ATOM 424 CA VAL A 29 0.791 7.669 -9.859 1.00 0.00 C ATOM 425 C VAL A 29 -0.560 7.237 -9.310 1.00 0.00 C ATOM 426 O VAL A 29 -0.947 6.085 -9.475 1.00 0.00 O ATOM 427 CB VAL A 29 1.762 7.901 -8.688 1.00 0.00 C ATOM 428 CG1 VAL A 29 1.858 6.647 -7.831 1.00 0.00 C ATOM 429 CG2 VAL A 29 3.132 8.315 -9.201 1.00 0.00 C ATOM 0 H VAL A 29 1.073 9.693 -10.308 1.00 0.00 H new ATOM 0 HA VAL A 29 1.186 6.875 -10.492 1.00 0.00 H new ATOM 0 HB VAL A 29 1.377 8.712 -8.070 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.548 6.822 -7.005 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.873 6.401 -7.435 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.222 5.818 -8.438 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.804 8.474 -8.357 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.533 7.529 -9.841 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.043 9.239 -9.773 1.00 0.00 H new ATOM 439 N VAL A 30 -1.286 8.157 -8.674 1.00 0.00 N ATOM 440 CA VAL A 30 -2.561 7.811 -8.060 1.00 0.00 C ATOM 441 C VAL A 30 -3.552 7.269 -9.111 1.00 0.00 C ATOM 442 O VAL A 30 -4.383 6.419 -8.809 1.00 0.00 O ATOM 443 CB VAL A 30 -3.164 8.986 -7.278 1.00 0.00 C ATOM 444 CG1 VAL A 30 -3.678 10.065 -8.180 1.00 0.00 C ATOM 445 CG2 VAL A 30 -4.263 8.512 -6.347 1.00 0.00 C ATOM 0 H VAL A 30 -1.015 9.135 -8.573 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.366 7.018 -7.338 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.357 9.413 -6.683 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.095 10.874 -7.579 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.860 10.450 -8.790 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.454 9.658 -8.829 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.673 9.364 -5.805 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.053 8.037 -6.929 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.854 7.793 -5.637 1.00 0.00 H new ATOM 455 N ALA A 31 -3.425 7.734 -10.359 1.00 0.00 N ATOM 456 CA ALA A 31 -4.271 7.247 -11.451 1.00 0.00 C ATOM 457 C ALA A 31 -3.953 5.801 -11.809 1.00 0.00 C ATOM 458 O ALA A 31 -4.851 4.962 -11.891 1.00 0.00 O ATOM 459 CB ALA A 31 -4.089 8.107 -12.678 1.00 0.00 C ATOM 0 H ALA A 31 -2.747 8.444 -10.636 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.304 7.301 -11.107 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.724 7.733 -13.482 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.365 9.136 -12.446 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.046 8.074 -12.994 1.00 0.00 H new ATOM 465 N ASP A 32 -2.673 5.522 -12.041 1.00 0.00 N ATOM 466 CA ASP A 32 -2.225 4.166 -12.363 1.00 0.00 C ATOM 467 C ASP A 32 -2.487 3.252 -11.175 1.00 0.00 C ATOM 468 O ASP A 32 -2.815 2.077 -11.325 1.00 0.00 O ATOM 469 CB ASP A 32 -0.737 4.173 -12.727 1.00 0.00 C ATOM 470 CG ASP A 32 -0.196 2.794 -13.050 1.00 0.00 C ATOM 471 OD1 ASP A 32 -0.724 2.140 -13.976 1.00 0.00 O ATOM 472 OD2 ASP A 32 0.790 2.374 -12.404 1.00 0.00 O ATOM 0 H ASP A 32 -1.926 6.216 -12.012 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.781 3.794 -13.223 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.582 4.827 -13.585 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.168 4.595 -11.898 1.00 0.00 H new ATOM 477 N LEU A 33 -2.344 3.830 -9.993 1.00 0.00 N ATOM 478 CA LEU A 33 -2.724 3.193 -8.742 1.00 0.00 C ATOM 479 C LEU A 33 -4.181 2.713 -8.772 1.00 0.00 C ATOM 480 O LEU A 33 -4.505 1.653 -8.235 1.00 0.00 O ATOM 481 CB LEU A 33 -2.513 4.210 -7.624 1.00 0.00 C ATOM 482 CG LEU A 33 -3.157 3.898 -6.283 1.00 0.00 C ATOM 483 CD1 LEU A 33 -2.083 3.635 -5.255 1.00 0.00 C ATOM 484 CD2 LEU A 33 -4.021 5.064 -5.861 1.00 0.00 C ATOM 0 H LEU A 33 -1.956 4.766 -9.874 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.109 2.308 -8.578 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.440 4.325 -7.467 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.890 5.174 -7.966 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.781 3.009 -6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.546 3.411 -4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.476 2.787 -5.572 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.450 4.517 -5.156 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.485 4.844 -4.899 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.405 5.959 -5.771 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.797 5.231 -6.608 1.00 0.00 H new ATOM 496 N TYR A 34 -5.060 3.506 -9.382 1.00 0.00 N ATOM 497 CA TYR A 34 -6.475 3.134 -9.513 1.00 0.00 C ATOM 498 C TYR A 34 -6.756 2.076 -10.595 1.00 0.00 C ATOM 499 O TYR A 34 -7.922 1.831 -10.912 1.00 0.00 O ATOM 500 CB TYR A 34 -7.339 4.371 -9.770 1.00 0.00 C ATOM 501 CG TYR A 34 -7.389 5.305 -8.589 1.00 0.00 C ATOM 502 CD1 TYR A 34 -7.471 4.800 -7.298 1.00 0.00 C ATOM 503 CD2 TYR A 34 -7.330 6.681 -8.754 1.00 0.00 C ATOM 504 CE1 TYR A 34 -7.495 5.638 -6.207 1.00 0.00 C ATOM 505 CE2 TYR A 34 -7.345 7.528 -7.663 1.00 0.00 C ATOM 506 CZ TYR A 34 -7.430 6.998 -6.393 1.00 0.00 C ATOM 507 OH TYR A 34 -7.422 7.825 -5.301 1.00 0.00 O ATOM 0 H TYR A 34 -4.822 4.408 -9.794 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.739 2.678 -8.559 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.949 4.907 -10.635 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.352 4.055 -10.021 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.517 3.731 -7.148 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.272 7.096 -9.749 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.565 5.229 -5.210 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.291 8.597 -7.804 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.372 8.758 -5.597 1.00 0.00 H new ATOM 517 N ASN A 35 -5.725 1.459 -11.178 1.00 0.00 N ATOM 518 CA ASN A 35 -5.947 0.428 -12.188 1.00 0.00 C ATOM 519 C ASN A 35 -6.634 -0.780 -11.555 1.00 0.00 C ATOM 520 O ASN A 35 -6.028 -1.521 -10.780 1.00 0.00 O ATOM 521 CB ASN A 35 -4.627 0.021 -12.851 1.00 0.00 C ATOM 522 CG ASN A 35 -4.794 -1.074 -13.891 1.00 0.00 C ATOM 523 OD1 ASN A 35 -5.861 -1.234 -14.489 1.00 0.00 O ATOM 524 ND2 ASN A 35 -3.730 -1.821 -14.130 1.00 0.00 N ATOM 0 H ASN A 35 -4.745 1.653 -10.971 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.597 0.832 -12.964 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.179 0.896 -13.322 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.932 -0.318 -12.083 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.773 -2.561 -14.830 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.866 -1.657 -13.614 1.00 0.00 H new ATOM 531 N PHE A 36 -7.909 -0.953 -11.884 1.00 0.00 N ATOM 532 CA PHE A 36 -8.735 -2.002 -11.292 1.00 0.00 C ATOM 533 C PHE A 36 -8.315 -3.374 -11.806 1.00 0.00 C ATOM 534 O PHE A 36 -8.377 -4.369 -11.083 1.00 0.00 O ATOM 535 CB PHE A 36 -10.211 -1.737 -11.617 1.00 0.00 C ATOM 536 CG PHE A 36 -11.164 -2.749 -11.040 1.00 0.00 C ATOM 537 CD1 PHE A 36 -11.566 -2.666 -9.717 1.00 0.00 C ATOM 538 CD2 PHE A 36 -11.661 -3.780 -11.824 1.00 0.00 C ATOM 539 CE1 PHE A 36 -12.445 -3.592 -9.186 1.00 0.00 C ATOM 540 CE2 PHE A 36 -12.540 -4.707 -11.300 1.00 0.00 C ATOM 541 CZ PHE A 36 -12.932 -4.613 -9.978 1.00 0.00 C ATOM 0 H PHE A 36 -8.399 -0.373 -12.566 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.598 -1.992 -10.211 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.481 -0.748 -11.246 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -10.334 -1.715 -12.700 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -11.189 -1.869 -9.093 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -11.357 -3.859 -12.857 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -12.750 -3.517 -8.153 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -12.920 -5.504 -11.922 1.00 0.00 H new ATOM 0 HZ PHE A 36 -13.618 -5.337 -9.565 1.00 0.00 H new ATOM 551 N TRP A 37 -7.881 -3.414 -13.052 1.00 0.00 N ATOM 552 CA TRP A 37 -7.448 -4.654 -13.669 1.00 0.00 C ATOM 553 C TRP A 37 -6.096 -5.066 -13.127 1.00 0.00 C ATOM 554 O TRP A 37 -5.139 -4.290 -13.128 1.00 0.00 O ATOM 555 CB TRP A 37 -7.390 -4.497 -15.186 1.00 0.00 C ATOM 556 CG TRP A 37 -8.716 -4.157 -15.792 1.00 0.00 C ATOM 557 CD1 TRP A 37 -9.635 -5.034 -16.281 1.00 0.00 C ATOM 558 CD2 TRP A 37 -9.276 -2.848 -15.966 1.00 0.00 C ATOM 559 NE1 TRP A 37 -10.733 -4.358 -16.747 1.00 0.00 N ATOM 560 CE2 TRP A 37 -10.537 -3.014 -16.568 1.00 0.00 C ATOM 561 CE3 TRP A 37 -8.837 -1.553 -15.672 1.00 0.00 C ATOM 562 CZ2 TRP A 37 -11.362 -1.938 -16.877 1.00 0.00 C ATOM 563 CZ3 TRP A 37 -9.657 -0.486 -15.983 1.00 0.00 C ATOM 564 CH2 TRP A 37 -10.907 -0.684 -16.579 1.00 0.00 C ATOM 0 H TRP A 37 -7.819 -2.597 -13.660 1.00 0.00 H new ATOM 0 HA TRP A 37 -8.169 -5.435 -13.429 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.672 -3.717 -15.437 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -7.022 -5.423 -15.627 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -9.516 -6.107 -16.299 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -11.561 -4.786 -17.160 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -7.874 -1.390 -15.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -12.328 -2.088 -17.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -9.327 0.519 -15.762 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -11.525 0.171 -16.808 1.00 0.00 H new ATOM 575 N LYS A 38 -6.035 -6.292 -12.652 1.00 0.00 N ATOM 576 CA LYS A 38 -4.826 -6.837 -12.071 1.00 0.00 C ATOM 577 C LYS A 38 -3.817 -7.207 -13.162 1.00 0.00 C ATOM 578 O LYS A 38 -3.585 -8.380 -13.459 1.00 0.00 O ATOM 579 CB LYS A 38 -5.150 -8.031 -11.148 1.00 0.00 C ATOM 580 CG LYS A 38 -5.857 -9.219 -11.807 1.00 0.00 C ATOM 581 CD LYS A 38 -7.235 -8.875 -12.352 1.00 0.00 C ATOM 582 CE LYS A 38 -7.950 -10.112 -12.865 1.00 0.00 C ATOM 583 NZ LYS A 38 -8.378 -11.006 -11.757 1.00 0.00 N ATOM 0 H LYS A 38 -6.823 -6.940 -12.658 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.362 -6.070 -11.451 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.219 -8.387 -10.708 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.773 -7.672 -10.329 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.237 -9.596 -12.620 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.953 -10.025 -11.079 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.831 -8.406 -11.569 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.138 -8.148 -13.158 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.822 -9.812 -13.447 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.290 -10.659 -13.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.032 -11.726 -12.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.544 -11.473 -11.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.858 -10.445 -11.024 1.00 0.00 H new ATOM 597 N ASP A 39 -3.276 -6.168 -13.791 1.00 0.00 N ATOM 598 CA ASP A 39 -2.224 -6.291 -14.813 1.00 0.00 C ATOM 599 C ASP A 39 -1.092 -7.293 -14.468 1.00 0.00 C ATOM 600 O ASP A 39 -0.445 -7.803 -15.385 1.00 0.00 O ATOM 601 CB ASP A 39 -1.629 -4.901 -15.071 1.00 0.00 C ATOM 602 CG ASP A 39 -0.628 -4.875 -16.209 1.00 0.00 C ATOM 603 OD1 ASP A 39 -1.056 -4.927 -17.380 1.00 0.00 O ATOM 604 OD2 ASP A 39 0.590 -4.784 -15.938 1.00 0.00 O ATOM 0 H ASP A 39 -3.554 -5.204 -13.609 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.703 -6.699 -15.703 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.437 -4.204 -15.292 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.143 -4.548 -14.162 1.00 0.00 H new ATOM 609 N ASP A 40 -0.852 -7.588 -13.172 1.00 0.00 N ATOM 610 CA ASP A 40 0.228 -8.490 -12.758 1.00 0.00 C ATOM 611 C ASP A 40 1.574 -7.847 -13.063 1.00 0.00 C ATOM 612 O ASP A 40 2.278 -8.227 -14.004 1.00 0.00 O ATOM 613 CB ASP A 40 0.110 -9.867 -13.428 1.00 0.00 C ATOM 614 CG ASP A 40 0.971 -10.933 -12.768 1.00 0.00 C ATOM 615 OD1 ASP A 40 1.953 -10.590 -12.080 1.00 0.00 O ATOM 616 OD2 ASP A 40 0.657 -12.134 -12.936 1.00 0.00 O ATOM 0 H ASP A 40 -1.397 -7.210 -12.397 1.00 0.00 H new ATOM 0 HA ASP A 40 0.145 -8.655 -11.684 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.932 -10.186 -13.406 1.00 0.00 H new ATOM 0 HB3 ASP A 40 0.394 -9.779 -14.477 1.00 0.00 H new ATOM 621 N TYR A 41 1.893 -6.827 -12.287 1.00 0.00 N ATOM 622 CA TYR A 41 3.104 -6.064 -12.480 1.00 0.00 C ATOM 623 C TYR A 41 3.935 -6.045 -11.212 1.00 0.00 C ATOM 624 O TYR A 41 3.477 -6.469 -10.150 1.00 0.00 O ATOM 625 CB TYR A 41 2.763 -4.629 -12.897 1.00 0.00 C ATOM 626 CG TYR A 41 1.664 -3.991 -12.070 1.00 0.00 C ATOM 627 CD1 TYR A 41 1.887 -3.588 -10.758 1.00 0.00 C ATOM 628 CD2 TYR A 41 0.398 -3.800 -12.605 1.00 0.00 C ATOM 629 CE1 TYR A 41 0.880 -3.015 -10.005 1.00 0.00 C ATOM 630 CE2 TYR A 41 -0.616 -3.229 -11.860 1.00 0.00 C ATOM 631 CZ TYR A 41 -0.371 -2.838 -10.562 1.00 0.00 C ATOM 632 OH TYR A 41 -1.380 -2.272 -9.818 1.00 0.00 O ATOM 0 H TYR A 41 1.318 -6.508 -11.507 1.00 0.00 H new ATOM 0 HA TYR A 41 3.685 -6.540 -13.270 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.662 -4.017 -12.822 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.462 -4.628 -13.945 1.00 0.00 H new ATOM 0 HD1 TYR A 41 2.865 -3.725 -10.320 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.202 -4.103 -13.623 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.070 -2.708 -8.987 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -1.596 -3.090 -12.293 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.195 -2.219 -10.359 1.00 0.00 H new ATOM 642 N VAL A 42 5.154 -5.557 -11.330 1.00 0.00 N ATOM 643 CA VAL A 42 5.995 -5.342 -10.171 1.00 0.00 C ATOM 644 C VAL A 42 5.760 -3.934 -9.654 1.00 0.00 C ATOM 645 O VAL A 42 5.723 -2.984 -10.437 1.00 0.00 O ATOM 646 CB VAL A 42 7.490 -5.521 -10.512 1.00 0.00 C ATOM 647 CG1 VAL A 42 8.351 -5.409 -9.264 1.00 0.00 C ATOM 648 CG2 VAL A 42 7.721 -6.852 -11.207 1.00 0.00 C ATOM 0 H VAL A 42 5.584 -5.302 -12.219 1.00 0.00 H new ATOM 0 HA VAL A 42 5.736 -6.081 -9.413 1.00 0.00 H new ATOM 0 HB VAL A 42 7.781 -4.721 -11.193 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.399 -5.539 -9.532 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.211 -4.427 -8.812 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.061 -6.181 -8.551 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.780 -6.962 -11.440 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.408 -7.664 -10.551 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.141 -6.886 -12.129 1.00 0.00 H new ATOM 658 N MET A 43 5.568 -3.800 -8.351 1.00 0.00 N ATOM 659 CA MET A 43 5.363 -2.491 -7.753 1.00 0.00 C ATOM 660 C MET A 43 6.653 -1.689 -7.825 1.00 0.00 C ATOM 661 O MET A 43 7.529 -1.804 -6.970 1.00 0.00 O ATOM 662 CB MET A 43 4.874 -2.627 -6.310 1.00 0.00 C ATOM 663 CG MET A 43 4.656 -1.298 -5.604 1.00 0.00 C ATOM 664 SD MET A 43 3.811 -1.494 -4.025 1.00 0.00 S ATOM 665 CE MET A 43 4.831 -2.739 -3.237 1.00 0.00 C ATOM 0 H MET A 43 5.550 -4.577 -7.691 1.00 0.00 H new ATOM 0 HA MET A 43 4.592 -1.959 -8.311 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.939 -3.187 -6.305 1.00 0.00 H new ATOM 0 HB3 MET A 43 5.599 -3.212 -5.745 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.619 -0.813 -5.441 1.00 0.00 H new ATOM 0 HG3 MET A 43 4.072 -0.639 -6.247 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.849 -2.567 -2.161 1.00 0.00 H new ATOM 0 HE2 MET A 43 4.420 -3.728 -3.439 1.00 0.00 H new ATOM 0 HE3 MET A 43 5.846 -2.681 -3.631 1.00 0.00 H new ATOM 675 N THR A 44 6.769 -0.908 -8.885 1.00 0.00 N ATOM 676 CA THR A 44 7.987 -0.181 -9.178 1.00 0.00 C ATOM 677 C THR A 44 8.006 1.185 -8.501 1.00 0.00 C ATOM 678 O THR A 44 9.037 1.616 -7.982 1.00 0.00 O ATOM 679 CB THR A 44 8.153 -0.016 -10.699 1.00 0.00 C ATOM 680 OG1 THR A 44 6.958 0.554 -11.254 1.00 0.00 O ATOM 681 CG2 THR A 44 8.429 -1.360 -11.358 1.00 0.00 C ATOM 0 H THR A 44 6.022 -0.762 -9.564 1.00 0.00 H new ATOM 0 HA THR A 44 8.821 -0.761 -8.782 1.00 0.00 H new ATOM 0 HB THR A 44 8.999 0.645 -10.887 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.065 0.660 -12.222 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.543 -1.221 -12.433 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.345 -1.785 -10.948 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.597 -2.037 -11.166 1.00 0.00 H new ATOM 689 N ASP A 45 6.869 1.869 -8.501 1.00 0.00 N ATOM 690 CA ASP A 45 6.788 3.167 -7.851 1.00 0.00 C ATOM 691 C ASP A 45 6.599 3.017 -6.365 1.00 0.00 C ATOM 692 O ASP A 45 5.614 2.453 -5.880 1.00 0.00 O ATOM 693 CB ASP A 45 5.675 4.029 -8.426 1.00 0.00 C ATOM 694 CG ASP A 45 5.590 5.342 -7.694 1.00 0.00 C ATOM 695 OD1 ASP A 45 6.629 6.024 -7.557 1.00 0.00 O ATOM 696 OD2 ASP A 45 4.510 5.669 -7.208 1.00 0.00 O ATOM 0 H ASP A 45 6.003 1.552 -8.937 1.00 0.00 H new ATOM 0 HA ASP A 45 7.736 3.670 -8.042 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.857 4.208 -9.486 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.724 3.502 -8.351 1.00 0.00 H new ATOM 701 N ARG A 46 7.587 3.523 -5.668 1.00 0.00 N ATOM 702 CA ARG A 46 7.568 3.640 -4.223 1.00 0.00 C ATOM 703 C ARG A 46 6.320 4.374 -3.729 1.00 0.00 C ATOM 704 O ARG A 46 5.744 4.008 -2.707 1.00 0.00 O ATOM 705 CB ARG A 46 8.831 4.369 -3.741 1.00 0.00 C ATOM 706 CG ARG A 46 8.941 5.842 -4.153 1.00 0.00 C ATOM 707 CD ARG A 46 9.109 5.995 -5.663 1.00 0.00 C ATOM 708 NE ARG A 46 10.484 5.759 -6.096 1.00 0.00 N ATOM 709 CZ ARG A 46 11.265 6.694 -6.634 1.00 0.00 C ATOM 710 NH1 ARG A 46 10.827 7.939 -6.774 1.00 0.00 N ATOM 711 NH2 ARG A 46 12.488 6.383 -7.036 1.00 0.00 N ATOM 0 H ARG A 46 8.445 3.873 -6.094 1.00 0.00 H new ATOM 0 HA ARG A 46 7.545 2.632 -3.808 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.871 4.310 -2.653 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.703 3.837 -4.121 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.048 6.378 -3.830 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.789 6.300 -3.644 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.445 5.296 -6.173 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.804 6.998 -5.960 1.00 0.00 H new ATOM 0 HE ARG A 46 10.869 4.822 -5.979 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.886 8.186 -6.468 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.432 8.649 -7.187 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.831 5.428 -6.933 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.087 7.099 -7.448 1.00 0.00 H new ATOM 725 N LEU A 47 5.887 5.388 -4.471 1.00 0.00 N ATOM 726 CA LEU A 47 4.812 6.241 -4.046 1.00 0.00 C ATOM 727 C LEU A 47 3.466 5.498 -4.100 1.00 0.00 C ATOM 728 O LEU A 47 2.505 5.875 -3.425 1.00 0.00 O ATOM 729 CB LEU A 47 4.841 7.498 -4.923 1.00 0.00 C ATOM 730 CG LEU A 47 3.740 8.488 -4.694 1.00 0.00 C ATOM 731 CD1 LEU A 47 3.947 9.231 -3.389 1.00 0.00 C ATOM 732 CD2 LEU A 47 3.689 9.428 -5.868 1.00 0.00 C ATOM 0 H LEU A 47 6.279 5.631 -5.381 1.00 0.00 H new ATOM 0 HA LEU A 47 4.936 6.537 -3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.794 8.003 -4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.812 7.188 -5.968 1.00 0.00 H new ATOM 0 HG LEU A 47 2.784 7.970 -4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.136 9.944 -3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.957 8.520 -2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.897 9.764 -3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.892 10.156 -5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.643 9.948 -5.959 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.496 8.862 -6.779 1.00 0.00 H new ATOM 744 N ALA A 48 3.433 4.395 -4.845 1.00 0.00 N ATOM 745 CA ALA A 48 2.246 3.570 -4.936 1.00 0.00 C ATOM 746 C ALA A 48 2.188 2.678 -3.717 1.00 0.00 C ATOM 747 O ALA A 48 1.168 2.600 -3.035 1.00 0.00 O ATOM 748 CB ALA A 48 2.268 2.738 -6.206 1.00 0.00 C ATOM 0 H ALA A 48 4.223 4.057 -5.394 1.00 0.00 H new ATOM 0 HA ALA A 48 1.360 4.203 -4.973 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.368 2.125 -6.255 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.306 3.398 -7.073 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.146 2.093 -6.203 1.00 0.00 H new ATOM 754 N GLY A 49 3.301 1.987 -3.483 1.00 0.00 N ATOM 755 CA GLY A 49 3.535 1.324 -2.208 1.00 0.00 C ATOM 756 C GLY A 49 3.041 2.111 -0.991 1.00 0.00 C ATOM 757 O GLY A 49 2.391 1.538 -0.116 1.00 0.00 O ATOM 0 H GLY A 49 4.054 1.873 -4.162 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.043 0.351 -2.222 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.604 1.140 -2.098 1.00 0.00 H new ATOM 761 N CYS A 50 3.328 3.419 -0.918 1.00 0.00 N ATOM 762 CA CYS A 50 2.899 4.218 0.214 1.00 0.00 C ATOM 763 C CYS A 50 1.377 4.369 0.188 1.00 0.00 C ATOM 764 O CYS A 50 0.696 4.205 1.207 1.00 0.00 O ATOM 765 CB CYS A 50 3.554 5.607 0.166 1.00 0.00 C ATOM 766 SG CYS A 50 5.372 5.628 -0.071 1.00 0.00 S ATOM 0 H CYS A 50 3.851 3.932 -1.628 1.00 0.00 H new ATOM 0 HA CYS A 50 3.202 3.717 1.133 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.095 6.176 -0.643 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.322 6.129 1.094 1.00 0.00 H new ATOM 771 N ALA A 51 0.846 4.631 -1.004 1.00 0.00 N ATOM 772 CA ALA A 51 -0.580 4.881 -1.180 1.00 0.00 C ATOM 773 C ALA A 51 -1.418 3.614 -1.008 1.00 0.00 C ATOM 774 O ALA A 51 -2.646 3.683 -0.965 1.00 0.00 O ATOM 775 CB ALA A 51 -0.832 5.499 -2.542 1.00 0.00 C ATOM 0 H ALA A 51 1.388 4.676 -1.867 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.889 5.577 -0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.899 5.683 -2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.290 6.441 -2.620 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.488 4.817 -3.320 1.00 0.00 H new ATOM 781 N ILE A 52 -0.758 2.460 -0.924 1.00 0.00 N ATOM 782 CA ILE A 52 -1.457 1.208 -0.655 1.00 0.00 C ATOM 783 C ILE A 52 -2.194 1.290 0.676 1.00 0.00 C ATOM 784 O ILE A 52 -3.302 0.765 0.824 1.00 0.00 O ATOM 785 CB ILE A 52 -0.495 -0.005 -0.644 1.00 0.00 C ATOM 786 CG1 ILE A 52 0.073 -0.240 -2.045 1.00 0.00 C ATOM 787 CG2 ILE A 52 -1.200 -1.261 -0.140 1.00 0.00 C ATOM 788 CD1 ILE A 52 1.002 -1.431 -2.131 1.00 0.00 C ATOM 0 H ILE A 52 0.251 2.367 -1.037 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.173 1.059 -1.463 1.00 0.00 H new ATOM 0 HB ILE A 52 0.325 0.218 0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.752 -0.382 -2.743 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.610 0.653 -2.364 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.500 -2.097 -0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.561 -1.093 0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.043 -1.491 -0.791 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.366 -1.536 -3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.847 -1.283 -1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.464 -2.334 -1.843 1.00 0.00 H new ATOM 800 N ASN A 53 -1.593 1.971 1.639 1.00 0.00 N ATOM 801 CA ASN A 53 -2.234 2.167 2.927 1.00 0.00 C ATOM 802 C ASN A 53 -2.064 3.610 3.356 1.00 0.00 C ATOM 803 O ASN A 53 -1.120 3.960 4.064 1.00 0.00 O ATOM 804 CB ASN A 53 -1.660 1.222 3.989 1.00 0.00 C ATOM 805 CG ASN A 53 -2.533 1.148 5.235 1.00 0.00 C ATOM 806 OD1 ASN A 53 -3.297 2.068 5.538 1.00 0.00 O ATOM 807 ND2 ASN A 53 -2.419 0.052 5.971 1.00 0.00 N ATOM 0 H ASN A 53 -0.669 2.394 1.553 1.00 0.00 H new ATOM 0 HA ASN A 53 -3.295 1.937 2.825 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -1.554 0.224 3.564 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.661 1.558 4.268 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.974 -0.052 6.820 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.776 -0.688 5.688 1.00 0.00 H new ATOM 814 N CYS A 54 -2.955 4.458 2.882 1.00 0.00 N ATOM 815 CA CYS A 54 -2.885 5.871 3.191 1.00 0.00 C ATOM 816 C CYS A 54 -3.904 6.245 4.268 1.00 0.00 C ATOM 817 O CYS A 54 -3.575 6.928 5.235 1.00 0.00 O ATOM 818 CB CYS A 54 -3.125 6.691 1.918 1.00 0.00 C ATOM 819 SG CYS A 54 -4.700 6.319 1.071 1.00 0.00 S ATOM 0 H CYS A 54 -3.736 4.193 2.282 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.891 6.095 3.578 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.104 7.751 2.173 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.302 6.514 1.225 1.00 0.00 H new ATOM 824 N LEU A 55 -5.130 5.753 4.111 1.00 0.00 N ATOM 825 CA LEU A 55 -6.237 6.136 4.980 1.00 0.00 C ATOM 826 C LEU A 55 -5.977 5.776 6.441 1.00 0.00 C ATOM 827 O LEU A 55 -5.950 6.648 7.308 1.00 0.00 O ATOM 828 CB LEU A 55 -7.534 5.476 4.503 1.00 0.00 C ATOM 829 CG LEU A 55 -8.770 5.776 5.354 1.00 0.00 C ATOM 830 CD1 LEU A 55 -9.056 7.269 5.379 1.00 0.00 C ATOM 831 CD2 LEU A 55 -9.973 5.012 4.832 1.00 0.00 C ATOM 0 H LEU A 55 -5.382 5.083 3.384 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.333 7.220 4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.731 5.796 3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.385 4.397 4.476 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.570 5.450 6.375 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.939 7.460 5.989 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.201 7.796 5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.234 7.622 4.363 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.843 5.237 5.449 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.173 5.307 3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.769 3.942 4.870 1.00 0.00 H new ATOM 843 N ALA A 56 -5.722 4.503 6.708 1.00 0.00 N ATOM 844 CA ALA A 56 -5.655 4.030 8.081 1.00 0.00 C ATOM 845 C ALA A 56 -4.297 4.337 8.691 1.00 0.00 C ATOM 846 O ALA A 56 -4.131 4.320 9.912 1.00 0.00 O ATOM 847 CB ALA A 56 -5.944 2.539 8.137 1.00 0.00 C ATOM 0 H ALA A 56 -5.560 3.787 6.000 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.413 4.553 8.665 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.891 2.197 9.170 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.941 2.347 7.742 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.207 2.003 7.539 1.00 0.00 H new ATOM 853 N THR A 57 -3.343 4.655 7.836 1.00 0.00 N ATOM 854 CA THR A 57 -2.032 5.065 8.289 1.00 0.00 C ATOM 855 C THR A 57 -2.075 6.493 8.836 1.00 0.00 C ATOM 856 O THR A 57 -1.370 6.829 9.791 1.00 0.00 O ATOM 857 CB THR A 57 -0.995 4.949 7.158 1.00 0.00 C ATOM 858 OG1 THR A 57 -0.912 3.592 6.717 1.00 0.00 O ATOM 859 CG2 THR A 57 0.367 5.412 7.622 1.00 0.00 C ATOM 0 H THR A 57 -3.454 4.636 6.822 1.00 0.00 H new ATOM 0 HA THR A 57 -1.728 4.395 9.094 1.00 0.00 H new ATOM 0 HB THR A 57 -1.315 5.587 6.334 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.864 3.568 5.738 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.081 5.320 6.804 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.309 6.454 7.937 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.694 4.797 8.460 1.00 0.00 H new ATOM 867 N LYS A 58 -2.920 7.328 8.244 1.00 0.00 N ATOM 868 CA LYS A 58 -3.081 8.689 8.731 1.00 0.00 C ATOM 869 C LYS A 58 -3.987 8.712 9.957 1.00 0.00 C ATOM 870 O LYS A 58 -3.892 9.620 10.783 1.00 0.00 O ATOM 871 CB LYS A 58 -3.633 9.609 7.636 1.00 0.00 C ATOM 872 CG LYS A 58 -2.836 9.611 6.326 1.00 0.00 C ATOM 873 CD LYS A 58 -1.414 10.166 6.461 1.00 0.00 C ATOM 874 CE LYS A 58 -1.332 11.310 7.460 1.00 0.00 C ATOM 875 NZ LYS A 58 0.039 11.883 7.538 1.00 0.00 N ATOM 0 H LYS A 58 -3.497 7.090 7.437 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.098 9.063 9.017 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.659 9.314 7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.669 10.627 8.023 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.782 8.591 5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.376 10.201 5.585 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.742 9.366 6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.068 10.512 5.487 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.036 12.092 7.175 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.633 10.954 8.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.003 12.825 7.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.643 11.260 8.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.436 11.965 6.580 1.00 0.00 H new ATOM 889 N LEU A 59 -4.870 7.721 10.076 1.00 0.00 N ATOM 890 CA LEU A 59 -5.664 7.567 11.284 1.00 0.00 C ATOM 891 C LEU A 59 -4.776 7.227 12.478 1.00 0.00 C ATOM 892 O LEU A 59 -4.661 8.028 13.407 1.00 0.00 O ATOM 893 CB LEU A 59 -6.749 6.496 11.109 1.00 0.00 C ATOM 894 CG LEU A 59 -8.114 7.005 10.634 1.00 0.00 C ATOM 895 CD1 LEU A 59 -8.716 7.938 11.673 1.00 0.00 C ATOM 896 CD2 LEU A 59 -8.008 7.704 9.289 1.00 0.00 C ATOM 0 H LEU A 59 -5.049 7.021 9.356 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.157 8.521 11.474 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.390 5.754 10.395 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.884 5.983 12.061 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.770 6.144 10.508 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.686 8.293 11.325 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.843 7.402 12.614 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.052 8.788 11.827 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.994 8.053 8.981 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.332 8.555 9.374 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.622 7.006 8.546 1.00 0.00 H new ATOM 908 N ASP A 60 -4.121 6.065 12.446 1.00 0.00 N ATOM 909 CA ASP A 60 -3.324 5.612 13.587 1.00 0.00 C ATOM 910 C ASP A 60 -2.608 4.306 13.262 1.00 0.00 C ATOM 911 O ASP A 60 -3.248 3.286 13.001 1.00 0.00 O ATOM 912 CB ASP A 60 -4.200 5.428 14.830 1.00 0.00 C ATOM 913 CG ASP A 60 -3.391 5.100 16.069 1.00 0.00 C ATOM 914 OD1 ASP A 60 -2.738 6.015 16.616 1.00 0.00 O ATOM 915 OD2 ASP A 60 -3.410 3.928 16.509 1.00 0.00 O ATOM 0 H ASP A 60 -4.126 5.426 11.651 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.579 6.380 13.796 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.772 6.339 15.005 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.919 4.630 14.648 1.00 0.00 H new ATOM 920 N VAL A 61 -1.285 4.345 13.270 1.00 0.00 N ATOM 921 CA VAL A 61 -0.484 3.167 12.965 1.00 0.00 C ATOM 922 C VAL A 61 0.971 3.421 13.379 1.00 0.00 C ATOM 923 O VAL A 61 1.924 2.889 12.799 1.00 0.00 O ATOM 924 CB VAL A 61 -0.583 2.847 11.452 1.00 0.00 C ATOM 925 CG1 VAL A 61 0.080 3.940 10.633 1.00 0.00 C ATOM 926 CG2 VAL A 61 0.013 1.492 11.114 1.00 0.00 C ATOM 0 H VAL A 61 -0.741 5.181 13.485 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.859 2.308 13.521 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.642 2.807 11.198 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.001 3.699 9.573 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.416 4.891 10.827 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.131 4.016 10.911 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.079 1.311 10.043 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.066 1.477 11.395 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.520 0.714 11.661 1.00 0.00 H new ATOM 936 N VAL A 62 1.134 4.204 14.433 1.00 0.00 N ATOM 937 CA VAL A 62 2.453 4.621 14.864 1.00 0.00 C ATOM 938 C VAL A 62 2.827 3.977 16.200 1.00 0.00 C ATOM 939 O VAL A 62 2.107 4.113 17.187 1.00 0.00 O ATOM 940 CB VAL A 62 2.564 6.166 14.950 1.00 0.00 C ATOM 941 CG1 VAL A 62 2.359 6.793 13.579 1.00 0.00 C ATOM 942 CG2 VAL A 62 1.569 6.744 15.950 1.00 0.00 C ATOM 0 H VAL A 62 0.368 4.562 15.004 1.00 0.00 H new ATOM 0 HA VAL A 62 3.162 4.278 14.110 1.00 0.00 H new ATOM 0 HB VAL A 62 3.568 6.405 15.301 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.440 7.877 13.659 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.119 6.422 12.892 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.370 6.530 13.203 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.675 7.828 15.984 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.555 6.488 15.643 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.764 6.329 16.939 1.00 0.00 H new ATOM 952 N ASP A 63 3.921 3.218 16.217 1.00 0.00 N ATOM 953 CA ASP A 63 4.414 2.635 17.460 1.00 0.00 C ATOM 954 C ASP A 63 5.102 3.687 18.338 1.00 0.00 C ATOM 955 O ASP A 63 4.706 3.877 19.487 1.00 0.00 O ATOM 956 CB ASP A 63 5.379 1.475 17.188 1.00 0.00 C ATOM 957 CG ASP A 63 5.194 0.342 18.175 1.00 0.00 C ATOM 958 OD1 ASP A 63 5.812 0.377 19.258 1.00 0.00 O ATOM 959 OD2 ASP A 63 4.426 -0.589 17.869 1.00 0.00 O ATOM 0 H ASP A 63 4.477 2.995 15.392 1.00 0.00 H new ATOM 0 HA ASP A 63 3.547 2.249 17.995 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.223 1.103 16.175 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.406 1.837 17.240 1.00 0.00 H new ATOM 964 N PRO A 64 6.134 4.400 17.824 1.00 0.00 N ATOM 965 CA PRO A 64 6.935 5.320 18.613 1.00 0.00 C ATOM 966 C PRO A 64 6.475 6.774 18.472 1.00 0.00 C ATOM 967 O PRO A 64 5.290 7.050 18.285 1.00 0.00 O ATOM 968 CB PRO A 64 8.336 5.137 17.997 1.00 0.00 C ATOM 969 CG PRO A 64 8.126 4.401 16.703 1.00 0.00 C ATOM 970 CD PRO A 64 6.644 4.393 16.457 1.00 0.00 C ATOM 0 HA PRO A 64 6.876 5.116 19.682 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.815 6.101 17.825 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.986 4.573 18.666 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.653 4.894 15.886 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.515 3.385 16.766 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.316 5.264 15.890 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.323 3.512 15.902 1.00 0.00 H new ATOM 978 N ASP A 65 7.436 7.691 18.538 1.00 0.00 N ATOM 979 CA ASP A 65 7.173 9.137 18.513 1.00 0.00 C ATOM 980 C ASP A 65 6.797 9.650 17.123 1.00 0.00 C ATOM 981 O ASP A 65 6.775 10.859 16.889 1.00 0.00 O ATOM 982 CB ASP A 65 8.404 9.893 19.011 1.00 0.00 C ATOM 983 CG ASP A 65 8.452 10.005 20.518 1.00 0.00 C ATOM 984 OD1 ASP A 65 8.654 8.972 21.189 1.00 0.00 O ATOM 985 OD2 ASP A 65 8.296 11.128 21.039 1.00 0.00 O ATOM 0 H ASP A 65 8.426 7.456 18.611 1.00 0.00 H new ATOM 0 HA ASP A 65 6.320 9.314 19.168 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.303 9.386 18.660 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.411 10.893 18.576 1.00 0.00 H new ATOM 990 N GLY A 66 6.523 8.744 16.207 1.00 0.00 N ATOM 991 CA GLY A 66 6.158 9.139 14.859 1.00 0.00 C ATOM 992 C GLY A 66 6.925 8.349 13.830 1.00 0.00 C ATOM 993 O GLY A 66 6.369 7.504 13.123 1.00 0.00 O ATOM 0 H GLY A 66 6.545 7.737 16.367 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.088 8.990 14.711 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.354 10.203 14.724 1.00 0.00 H new ATOM 997 N ASN A 67 8.215 8.616 13.774 1.00 0.00 N ATOM 998 CA ASN A 67 9.122 7.914 12.885 1.00 0.00 C ATOM 999 C ASN A 67 9.313 6.475 13.348 1.00 0.00 C ATOM 1000 O ASN A 67 9.203 6.189 14.538 1.00 0.00 O ATOM 1001 CB ASN A 67 10.471 8.643 12.859 1.00 0.00 C ATOM 1002 CG ASN A 67 11.018 8.891 14.260 1.00 0.00 C ATOM 1003 OD1 ASN A 67 11.868 7.996 14.740 1.00 0.00 O flip ATOM 1004 ND2 ASN A 67 10.675 9.886 14.903 1.00 0.00 N flip ATOM 0 H ASN A 67 8.666 9.329 14.346 1.00 0.00 H new ATOM 0 HA ASN A 67 8.698 7.898 11.881 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.190 8.054 12.289 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.358 9.595 12.341 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.018 10.553 14.499 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.049 10.042 15.839 1.00 0.00 H new ATOM 1011 N LEU A 68 9.556 5.576 12.395 1.00 0.00 N ATOM 1012 CA LEU A 68 9.895 4.180 12.694 1.00 0.00 C ATOM 1013 C LEU A 68 8.720 3.404 13.288 1.00 0.00 C ATOM 1014 O LEU A 68 8.920 2.482 14.077 1.00 0.00 O ATOM 1015 CB LEU A 68 11.107 4.094 13.635 1.00 0.00 C ATOM 1016 CG LEU A 68 12.480 4.229 12.968 1.00 0.00 C ATOM 1017 CD1 LEU A 68 12.630 3.211 11.850 1.00 0.00 C ATOM 1018 CD2 LEU A 68 12.698 5.639 12.442 1.00 0.00 C ATOM 0 H LEU A 68 9.524 5.790 11.398 1.00 0.00 H new ATOM 0 HA LEU A 68 10.148 3.716 11.740 1.00 0.00 H new ATOM 0 HB2 LEU A 68 11.013 4.874 14.390 1.00 0.00 H new ATOM 0 HB3 LEU A 68 11.070 3.138 14.158 1.00 0.00 H new ATOM 0 HG LEU A 68 13.242 4.032 13.722 1.00 0.00 H new ATOM 0 HD11 LEU A 68 13.611 3.321 11.387 1.00 0.00 H new ATOM 0 HD12 LEU A 68 12.532 2.205 12.258 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.855 3.376 11.101 1.00 0.00 H new ATOM 0 HD21 LEU A 68 13.680 5.705 11.974 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.929 5.876 11.707 1.00 0.00 H new ATOM 0 HD23 LEU A 68 12.641 6.348 13.268 1.00 0.00 H new ATOM 1030 N HIS A 69 7.498 3.750 12.896 1.00 0.00 N ATOM 1031 CA HIS A 69 6.325 3.008 13.347 1.00 0.00 C ATOM 1032 C HIS A 69 6.214 1.648 12.651 1.00 0.00 C ATOM 1033 O HIS A 69 5.372 1.437 11.781 1.00 0.00 O ATOM 1034 CB HIS A 69 5.040 3.833 13.152 1.00 0.00 C ATOM 1035 CG HIS A 69 4.779 4.325 11.751 1.00 0.00 C ATOM 1036 ND1 HIS A 69 3.905 3.703 10.889 1.00 0.00 N ATOM 1037 CD2 HIS A 69 5.246 5.409 11.084 1.00 0.00 C ATOM 1038 CE1 HIS A 69 3.844 4.379 9.758 1.00 0.00 C ATOM 1039 NE2 HIS A 69 4.647 5.424 9.849 1.00 0.00 N ATOM 0 H HIS A 69 7.294 4.532 12.273 1.00 0.00 H new ATOM 0 HA HIS A 69 6.449 2.820 14.414 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.191 3.227 13.467 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.081 4.695 13.817 1.00 0.00 H new ATOM 0 HD1 HIS A 69 3.384 2.850 11.093 1.00 0.00 H new ATOM 0 HD2 HIS A 69 5.959 6.129 11.456 1.00 0.00 H new ATOM 0 HE1 HIS A 69 3.239 4.121 8.901 1.00 0.00 H new ATOM 1048 N HIS A 70 7.092 0.739 13.041 1.00 0.00 N ATOM 1049 CA HIS A 70 7.133 -0.601 12.472 1.00 0.00 C ATOM 1050 C HIS A 70 6.183 -1.546 13.219 1.00 0.00 C ATOM 1051 O HIS A 70 5.388 -2.257 12.599 1.00 0.00 O ATOM 1052 CB HIS A 70 8.574 -1.131 12.517 1.00 0.00 C ATOM 1053 CG HIS A 70 8.792 -2.425 11.786 1.00 0.00 C ATOM 1054 ND1 HIS A 70 7.950 -3.451 11.533 1.00 0.00 N flip ATOM 1055 CD2 HIS A 70 10.006 -2.796 11.258 1.00 0.00 C flip ATOM 1056 CE1 HIS A 70 8.660 -4.421 10.872 1.00 0.00 C flip ATOM 1057 NE2 HIS A 70 9.902 -3.995 10.718 1.00 0.00 N flip ATOM 0 H HIS A 70 7.796 0.907 13.760 1.00 0.00 H new ATOM 0 HA HIS A 70 6.801 -0.554 11.435 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.237 -0.376 12.096 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.865 -1.265 13.559 1.00 0.00 H new ATOM 0 HD1 HIS A 70 6.963 -3.496 11.788 1.00 0.00 H new ATOM 0 HD2 HIS A 70 10.905 -2.198 11.282 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.271 -5.370 10.535 1.00 0.00 H new ATOM 1066 N GLY A 71 6.255 -1.517 14.550 1.00 0.00 N ATOM 1067 CA GLY A 71 5.516 -2.466 15.374 1.00 0.00 C ATOM 1068 C GLY A 71 4.026 -2.425 15.125 1.00 0.00 C ATOM 1069 O GLY A 71 3.421 -3.424 14.730 1.00 0.00 O ATOM 0 H GLY A 71 6.816 -0.848 15.077 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.884 -3.473 15.179 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.710 -2.254 16.426 1.00 0.00 H new ATOM 1073 N ASN A 72 3.441 -1.261 15.339 1.00 0.00 N ATOM 1074 CA ASN A 72 2.001 -1.076 15.168 1.00 0.00 C ATOM 1075 C ASN A 72 1.550 -1.297 13.725 1.00 0.00 C ATOM 1076 O ASN A 72 0.389 -1.630 13.490 1.00 0.00 O ATOM 1077 CB ASN A 72 1.561 0.312 15.643 1.00 0.00 C ATOM 1078 CG ASN A 72 1.083 0.308 17.085 1.00 0.00 C ATOM 1079 OD1 ASN A 72 0.603 -0.708 17.590 1.00 0.00 O ATOM 1080 ND2 ASN A 72 1.193 1.445 17.757 1.00 0.00 N ATOM 0 H ASN A 72 3.939 -0.421 15.633 1.00 0.00 H new ATOM 0 HA ASN A 72 1.520 -1.834 15.786 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.393 1.008 15.541 1.00 0.00 H new ATOM 0 HB3 ASN A 72 0.760 0.676 14.999 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.875 1.498 18.725 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.596 2.267 17.307 1.00 0.00 H new ATOM 1087 N ALA A 73 2.454 -1.130 12.762 1.00 0.00 N ATOM 1088 CA ALA A 73 2.106 -1.324 11.361 1.00 0.00 C ATOM 1089 C ALA A 73 1.917 -2.804 11.062 1.00 0.00 C ATOM 1090 O ALA A 73 1.025 -3.194 10.308 1.00 0.00 O ATOM 1091 CB ALA A 73 3.177 -0.731 10.458 1.00 0.00 C ATOM 0 H ALA A 73 3.425 -0.863 12.926 1.00 0.00 H new ATOM 0 HA ALA A 73 1.166 -0.808 11.164 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.900 -0.885 9.415 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.268 0.337 10.655 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.131 -1.219 10.656 1.00 0.00 H new ATOM 1097 N LYS A 74 2.731 -3.634 11.696 1.00 0.00 N ATOM 1098 CA LYS A 74 2.626 -5.066 11.526 1.00 0.00 C ATOM 1099 C LYS A 74 1.505 -5.629 12.372 1.00 0.00 C ATOM 1100 O LYS A 74 0.845 -6.591 11.976 1.00 0.00 O ATOM 1101 CB LYS A 74 3.945 -5.748 11.861 1.00 0.00 C ATOM 1102 CG LYS A 74 4.922 -5.703 10.704 1.00 0.00 C ATOM 1103 CD LYS A 74 4.291 -6.277 9.444 1.00 0.00 C ATOM 1104 CE LYS A 74 4.366 -7.806 9.389 1.00 0.00 C ATOM 1105 NZ LYS A 74 3.823 -8.470 10.610 1.00 0.00 N ATOM 0 H LYS A 74 3.470 -3.336 12.332 1.00 0.00 H new ATOM 0 HA LYS A 74 2.395 -5.265 10.480 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.391 -5.265 12.730 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.756 -6.786 12.135 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.233 -4.674 10.524 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.819 -6.268 10.957 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.248 -5.966 9.391 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.792 -5.861 8.570 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.815 -8.158 8.517 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.405 -8.107 9.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.793 -9.499 10.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.435 -8.255 11.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.862 -8.119 10.797 1.00 0.00 H new ATOM 1119 N ASP A 75 1.286 -5.026 13.529 1.00 0.00 N ATOM 1120 CA ASP A 75 0.160 -5.395 14.372 1.00 0.00 C ATOM 1121 C ASP A 75 -1.151 -5.079 13.662 1.00 0.00 C ATOM 1122 O ASP A 75 -2.081 -5.889 13.660 1.00 0.00 O ATOM 1123 CB ASP A 75 0.222 -4.653 15.710 1.00 0.00 C ATOM 1124 CG ASP A 75 -1.001 -4.912 16.564 1.00 0.00 C ATOM 1125 OD1 ASP A 75 -1.057 -5.969 17.222 1.00 0.00 O ATOM 1126 OD2 ASP A 75 -1.924 -4.069 16.570 1.00 0.00 O ATOM 0 H ASP A 75 1.871 -4.280 13.906 1.00 0.00 H new ATOM 0 HA ASP A 75 0.211 -6.466 14.567 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.115 -4.962 16.254 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.315 -3.583 15.526 1.00 0.00 H new ATOM 1131 N PHE A 76 -1.194 -3.916 13.016 1.00 0.00 N ATOM 1132 CA PHE A 76 -2.376 -3.475 12.287 1.00 0.00 C ATOM 1133 C PHE A 76 -2.673 -4.409 11.122 1.00 0.00 C ATOM 1134 O PHE A 76 -3.829 -4.741 10.862 1.00 0.00 O ATOM 1135 CB PHE A 76 -2.183 -2.042 11.782 1.00 0.00 C ATOM 1136 CG PHE A 76 -3.387 -1.472 11.087 1.00 0.00 C ATOM 1137 CD1 PHE A 76 -4.495 -1.068 11.815 1.00 0.00 C ATOM 1138 CD2 PHE A 76 -3.414 -1.348 9.706 1.00 0.00 C ATOM 1139 CE1 PHE A 76 -5.606 -0.549 11.179 1.00 0.00 C ATOM 1140 CE2 PHE A 76 -4.522 -0.832 9.067 1.00 0.00 C ATOM 1141 CZ PHE A 76 -5.620 -0.432 9.803 1.00 0.00 C ATOM 0 H PHE A 76 -0.415 -3.258 12.984 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.226 -3.497 12.968 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.926 -1.402 12.626 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.336 -2.020 11.096 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.490 -1.160 12.891 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.558 -1.659 9.125 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.463 -0.235 11.757 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.531 -0.741 7.991 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.488 -0.028 9.303 1.00 0.00 H new ATOM 1151 N ALA A 77 -1.620 -4.855 10.448 1.00 0.00 N ATOM 1152 CA ALA A 77 -1.761 -5.726 9.287 1.00 0.00 C ATOM 1153 C ALA A 77 -2.248 -7.110 9.694 1.00 0.00 C ATOM 1154 O ALA A 77 -2.989 -7.757 8.958 1.00 0.00 O ATOM 1155 CB ALA A 77 -0.431 -5.844 8.561 1.00 0.00 C ATOM 0 H ALA A 77 -0.655 -4.627 10.687 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.502 -5.284 8.621 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.546 -6.496 7.695 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.108 -4.857 8.231 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.316 -6.264 9.235 1.00 0.00 H new ATOM 1161 N MET A 78 -1.832 -7.557 10.869 1.00 0.00 N ATOM 1162 CA MET A 78 -2.210 -8.880 11.353 1.00 0.00 C ATOM 1163 C MET A 78 -3.661 -8.926 11.809 1.00 0.00 C ATOM 1164 O MET A 78 -4.310 -9.961 11.701 1.00 0.00 O ATOM 1165 CB MET A 78 -1.291 -9.341 12.486 1.00 0.00 C ATOM 1166 CG MET A 78 0.133 -9.617 12.035 1.00 0.00 C ATOM 1167 SD MET A 78 1.172 -10.286 13.348 1.00 0.00 S ATOM 1168 CE MET A 78 1.057 -8.980 14.571 1.00 0.00 C ATOM 0 H MET A 78 -1.235 -7.027 11.504 1.00 0.00 H new ATOM 0 HA MET A 78 -2.099 -9.564 10.511 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.276 -8.578 13.265 1.00 0.00 H new ATOM 0 HB3 MET A 78 -1.704 -10.245 12.933 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.114 -10.319 11.201 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.576 -8.693 11.664 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.635 -9.256 15.453 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.452 -8.054 14.153 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.014 -8.835 14.852 1.00 0.00 H new ATOM 1178 N LYS A 79 -4.181 -7.823 12.331 1.00 0.00 N ATOM 1179 CA LYS A 79 -5.576 -7.802 12.735 1.00 0.00 C ATOM 1180 C LYS A 79 -6.478 -7.279 11.616 1.00 0.00 C ATOM 1181 O LYS A 79 -7.696 -7.432 11.679 1.00 0.00 O ATOM 1182 CB LYS A 79 -5.774 -6.989 14.020 1.00 0.00 C ATOM 1183 CG LYS A 79 -5.004 -5.682 14.058 1.00 0.00 C ATOM 1184 CD LYS A 79 -5.434 -4.806 15.227 1.00 0.00 C ATOM 1185 CE LYS A 79 -5.307 -5.517 16.566 1.00 0.00 C ATOM 1186 NZ LYS A 79 -3.901 -5.876 16.881 1.00 0.00 N ATOM 0 H LYS A 79 -3.671 -6.952 12.481 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.866 -8.832 12.941 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.836 -6.775 14.140 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.473 -7.599 14.872 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.937 -5.891 14.134 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.158 -5.142 13.124 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.827 -3.901 15.241 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.468 -4.494 15.082 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.702 -4.876 17.354 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.917 -6.420 16.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.875 -6.446 17.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.498 -6.425 16.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.344 -5.009 17.019 1.00 0.00 H new ATOM 1200 N HIS A 80 -5.890 -6.663 10.593 1.00 0.00 N ATOM 1201 CA HIS A 80 -6.672 -6.162 9.471 1.00 0.00 C ATOM 1202 C HIS A 80 -5.953 -6.441 8.155 1.00 0.00 C ATOM 1203 O HIS A 80 -5.110 -5.654 7.728 1.00 0.00 O ATOM 1204 CB HIS A 80 -6.920 -4.650 9.583 1.00 0.00 C ATOM 1205 CG HIS A 80 -7.450 -4.185 10.903 1.00 0.00 C ATOM 1206 ND1 HIS A 80 -6.804 -3.821 12.030 1.00 0.00 N flip ATOM 1207 CD2 HIS A 80 -8.791 -4.030 11.167 1.00 0.00 C flip ATOM 1208 CE1 HIS A 80 -7.752 -3.459 12.948 1.00 0.00 C flip ATOM 1209 NE2 HIS A 80 -8.945 -3.593 12.402 1.00 0.00 N flip ATOM 0 H HIS A 80 -4.886 -6.501 10.520 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.631 -6.680 9.493 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -5.984 -4.129 9.382 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -7.623 -4.355 8.804 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.592 -4.234 10.472 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -7.556 -3.119 13.954 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -9.835 -3.393 12.857 1.00 0.00 H new ATOM 1218 N GLY A 81 -6.262 -7.568 7.529 1.00 0.00 N ATOM 1219 CA GLY A 81 -5.708 -7.853 6.218 1.00 0.00 C ATOM 1220 C GLY A 81 -5.098 -9.235 6.133 1.00 0.00 C ATOM 1221 O GLY A 81 -5.683 -10.146 5.549 1.00 0.00 O ATOM 0 H GLY A 81 -6.882 -8.287 7.901 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.493 -7.759 5.468 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.948 -7.109 5.979 1.00 0.00 H new ATOM 1225 N ALA A 82 -3.926 -9.399 6.727 1.00 0.00 N ATOM 1226 CA ALA A 82 -3.237 -10.678 6.706 1.00 0.00 C ATOM 1227 C ALA A 82 -3.322 -11.350 8.060 1.00 0.00 C ATOM 1228 O ALA A 82 -3.333 -10.681 9.090 1.00 0.00 O ATOM 1229 CB ALA A 82 -1.778 -10.504 6.309 1.00 0.00 C ATOM 0 H ALA A 82 -3.433 -8.661 7.230 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.727 -11.308 5.964 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.285 -11.476 6.301 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.722 -10.060 5.315 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.281 -9.851 7.026 1.00 0.00 H new ATOM 1235 N ASP A 83 -3.394 -12.666 8.064 1.00 0.00 N ATOM 1236 CA ASP A 83 -3.347 -13.401 9.315 1.00 0.00 C ATOM 1237 C ASP A 83 -1.926 -13.694 9.704 1.00 0.00 C ATOM 1238 O ASP A 83 -0.983 -13.411 8.956 1.00 0.00 O ATOM 1239 CB ASP A 83 -4.167 -14.681 9.298 1.00 0.00 C ATOM 1240 CG ASP A 83 -3.798 -15.617 8.173 1.00 0.00 C ATOM 1241 OD1 ASP A 83 -2.781 -16.316 8.296 1.00 0.00 O ATOM 1242 OD2 ASP A 83 -4.538 -15.667 7.169 1.00 0.00 O ATOM 0 H ASP A 83 -3.484 -13.243 7.228 1.00 0.00 H new ATOM 0 HA ASP A 83 -3.803 -12.754 10.064 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.037 -15.199 10.248 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -5.223 -14.425 9.216 1.00 0.00 H new ATOM 1247 N GLU A 84 -1.793 -14.262 10.882 1.00 0.00 N ATOM 1248 CA GLU A 84 -0.532 -14.366 11.555 1.00 0.00 C ATOM 1249 C GLU A 84 0.534 -15.034 10.698 1.00 0.00 C ATOM 1250 O GLU A 84 1.635 -14.508 10.540 1.00 0.00 O ATOM 1251 CB GLU A 84 -0.731 -15.175 12.824 1.00 0.00 C ATOM 1252 CG GLU A 84 -0.294 -14.473 14.085 1.00 0.00 C ATOM 1253 CD GLU A 84 0.729 -15.282 14.841 1.00 0.00 C ATOM 1254 OE1 GLU A 84 1.908 -15.293 14.427 1.00 0.00 O ATOM 1255 OE2 GLU A 84 0.353 -15.952 15.824 1.00 0.00 O ATOM 0 H GLU A 84 -2.572 -14.668 11.400 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.183 -13.357 11.776 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.786 -15.434 12.914 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.180 -16.111 12.734 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.125 -13.498 13.834 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.160 -14.293 14.722 1.00 0.00 H new ATOM 1262 N THR A 85 0.193 -16.174 10.124 1.00 0.00 N ATOM 1263 CA THR A 85 1.153 -16.951 9.365 1.00 0.00 C ATOM 1264 C THR A 85 1.659 -16.178 8.143 1.00 0.00 C ATOM 1265 O THR A 85 2.821 -16.301 7.778 1.00 0.00 O ATOM 1266 CB THR A 85 0.571 -18.314 8.930 1.00 0.00 C ATOM 1267 OG1 THR A 85 1.597 -19.117 8.335 1.00 0.00 O ATOM 1268 CG2 THR A 85 -0.575 -18.140 7.948 1.00 0.00 C ATOM 0 H THR A 85 -0.741 -16.581 10.170 1.00 0.00 H new ATOM 0 HA THR A 85 1.998 -17.140 10.027 1.00 0.00 H new ATOM 0 HB THR A 85 0.185 -18.812 9.820 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.221 -19.980 8.063 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.961 -19.118 7.663 1.00 0.00 H new ATOM 0 HG22 THR A 85 -1.370 -17.558 8.415 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.217 -17.618 7.060 1.00 0.00 H new ATOM 1276 N MET A 86 0.811 -15.330 7.549 1.00 0.00 N ATOM 1277 CA MET A 86 1.164 -14.663 6.306 1.00 0.00 C ATOM 1278 C MET A 86 2.068 -13.488 6.602 1.00 0.00 C ATOM 1279 O MET A 86 3.040 -13.230 5.891 1.00 0.00 O ATOM 1280 CB MET A 86 -0.089 -14.199 5.564 1.00 0.00 C ATOM 1281 CG MET A 86 -1.105 -15.302 5.353 1.00 0.00 C ATOM 1282 SD MET A 86 -2.533 -14.755 4.395 1.00 0.00 S ATOM 1283 CE MET A 86 -1.771 -14.435 2.806 1.00 0.00 C ATOM 0 H MET A 86 -0.114 -15.096 7.910 1.00 0.00 H new ATOM 0 HA MET A 86 1.691 -15.369 5.665 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.555 -13.388 6.124 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.201 -13.792 4.595 1.00 0.00 H new ATOM 0 HG2 MET A 86 -0.628 -16.138 4.842 1.00 0.00 H new ATOM 0 HG3 MET A 86 -1.442 -15.671 6.322 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.523 -14.507 2.021 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.340 -13.434 2.804 1.00 0.00 H new ATOM 0 HE3 MET A 86 -0.986 -15.169 2.625 1.00 0.00 H new ATOM 1293 N ALA A 87 1.754 -12.795 7.683 1.00 0.00 N ATOM 1294 CA ALA A 87 2.570 -11.697 8.142 1.00 0.00 C ATOM 1295 C ALA A 87 3.951 -12.215 8.526 1.00 0.00 C ATOM 1296 O ALA A 87 4.951 -11.517 8.374 1.00 0.00 O ATOM 1297 CB ALA A 87 1.895 -11.016 9.316 1.00 0.00 C ATOM 0 H ALA A 87 0.933 -12.979 8.259 1.00 0.00 H new ATOM 0 HA ALA A 87 2.688 -10.963 7.344 1.00 0.00 H new ATOM 0 HB1 ALA A 87 2.513 -10.187 9.661 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.921 -10.638 9.006 1.00 0.00 H new ATOM 0 HB3 ALA A 87 1.765 -11.733 10.127 1.00 0.00 H new ATOM 1303 N GLN A 88 3.987 -13.455 9.006 1.00 0.00 N ATOM 1304 CA GLN A 88 5.234 -14.093 9.426 1.00 0.00 C ATOM 1305 C GLN A 88 5.994 -14.681 8.245 1.00 0.00 C ATOM 1306 O GLN A 88 7.200 -14.909 8.332 1.00 0.00 O ATOM 1307 CB GLN A 88 4.955 -15.156 10.487 1.00 0.00 C ATOM 1308 CG GLN A 88 5.119 -14.639 11.912 1.00 0.00 C ATOM 1309 CD GLN A 88 4.458 -13.287 12.144 1.00 0.00 C ATOM 1310 OE1 GLN A 88 5.066 -12.239 11.931 1.00 0.00 O ATOM 1311 NE2 GLN A 88 3.216 -13.294 12.593 1.00 0.00 N ATOM 0 H GLN A 88 3.161 -14.043 9.115 1.00 0.00 H new ATOM 0 HA GLN A 88 5.872 -13.325 9.864 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.940 -15.531 10.358 1.00 0.00 H new ATOM 0 HB3 GLN A 88 5.628 -15.999 10.333 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.696 -15.366 12.605 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.182 -14.560 12.142 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.739 -14.180 12.760 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.734 -12.413 12.773 1.00 0.00 H new ATOM 1320 N GLN A 89 5.305 -14.905 7.141 1.00 0.00 N ATOM 1321 CA GLN A 89 5.982 -15.284 5.907 1.00 0.00 C ATOM 1322 C GLN A 89 6.579 -14.031 5.281 1.00 0.00 C ATOM 1323 O GLN A 89 7.551 -14.096 4.529 1.00 0.00 O ATOM 1324 CB GLN A 89 5.041 -15.977 4.897 1.00 0.00 C ATOM 1325 CG GLN A 89 4.284 -17.171 5.453 1.00 0.00 C ATOM 1326 CD GLN A 89 5.182 -18.275 5.971 1.00 0.00 C ATOM 1327 OE1 GLN A 89 6.293 -18.480 5.483 1.00 0.00 O ATOM 1328 NE2 GLN A 89 4.704 -18.993 6.973 1.00 0.00 N ATOM 0 H GLN A 89 4.290 -14.833 7.069 1.00 0.00 H new ATOM 0 HA GLN A 89 6.759 -16.007 6.156 1.00 0.00 H new ATOM 0 HB2 GLN A 89 4.321 -15.245 4.531 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.628 -16.304 4.039 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.635 -16.834 6.261 1.00 0.00 H new ATOM 0 HG3 GLN A 89 3.639 -17.576 4.673 1.00 0.00 H new ATOM 0 HE21 GLN A 89 3.778 -18.791 7.349 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.262 -19.749 7.370 1.00 0.00 H new ATOM 1337 N LEU A 90 6.002 -12.879 5.628 1.00 0.00 N ATOM 1338 CA LEU A 90 6.431 -11.610 5.068 1.00 0.00 C ATOM 1339 C LEU A 90 7.600 -11.028 5.862 1.00 0.00 C ATOM 1340 O LEU A 90 8.577 -10.554 5.282 1.00 0.00 O ATOM 1341 CB LEU A 90 5.260 -10.618 5.058 1.00 0.00 C ATOM 1342 CG LEU A 90 5.560 -9.236 4.467 1.00 0.00 C ATOM 1343 CD1 LEU A 90 5.661 -9.299 2.949 1.00 0.00 C ATOM 1344 CD2 LEU A 90 4.493 -8.239 4.888 1.00 0.00 C ATOM 0 H LEU A 90 5.235 -12.806 6.296 1.00 0.00 H new ATOM 0 HA LEU A 90 6.765 -11.784 4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.438 -11.062 4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.912 -10.486 6.082 1.00 0.00 H new ATOM 0 HG LEU A 90 6.523 -8.904 4.854 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.874 -8.305 2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.463 -9.981 2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.718 -9.657 2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.719 -7.262 4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.520 -8.575 4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.474 -8.164 5.975 1.00 0.00 H new ATOM 1356 N VAL A 91 7.501 -11.085 7.195 1.00 0.00 N ATOM 1357 CA VAL A 91 8.504 -10.479 8.077 1.00 0.00 C ATOM 1358 C VAL A 91 9.903 -11.023 7.829 1.00 0.00 C ATOM 1359 O VAL A 91 10.893 -10.310 8.006 1.00 0.00 O ATOM 1360 CB VAL A 91 8.162 -10.653 9.575 1.00 0.00 C ATOM 1361 CG1 VAL A 91 7.107 -9.650 9.994 1.00 0.00 C ATOM 1362 CG2 VAL A 91 7.688 -12.062 9.904 1.00 0.00 C ATOM 0 H VAL A 91 6.735 -11.545 7.687 1.00 0.00 H new ATOM 0 HA VAL A 91 8.487 -9.417 7.831 1.00 0.00 H new ATOM 0 HB VAL A 91 9.082 -10.477 10.132 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.876 -9.785 11.051 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.480 -8.639 9.830 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.204 -9.804 9.403 1.00 0.00 H new ATOM 0 HG21 VAL A 91 7.461 -12.130 10.968 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.792 -12.288 9.327 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.471 -12.777 9.653 1.00 0.00 H new ATOM 1372 N ASP A 92 9.977 -12.266 7.392 1.00 0.00 N ATOM 1373 CA ASP A 92 11.248 -12.921 7.145 1.00 0.00 C ATOM 1374 C ASP A 92 11.944 -12.270 5.952 1.00 0.00 C ATOM 1375 O ASP A 92 13.145 -11.969 5.994 1.00 0.00 O ATOM 1376 CB ASP A 92 11.008 -14.419 6.925 1.00 0.00 C ATOM 1377 CG ASP A 92 12.193 -15.130 6.299 1.00 0.00 C ATOM 1378 OD1 ASP A 92 13.081 -15.582 7.053 1.00 0.00 O ATOM 1379 OD2 ASP A 92 12.237 -15.249 5.060 1.00 0.00 O ATOM 0 H ASP A 92 9.162 -12.848 7.199 1.00 0.00 H new ATOM 0 HA ASP A 92 11.906 -12.808 8.006 1.00 0.00 H new ATOM 0 HB2 ASP A 92 10.776 -14.887 7.882 1.00 0.00 H new ATOM 0 HB3 ASP A 92 10.135 -14.550 6.286 1.00 0.00 H new ATOM 1384 N ILE A 93 11.167 -11.997 4.912 1.00 0.00 N ATOM 1385 CA ILE A 93 11.670 -11.300 3.741 1.00 0.00 C ATOM 1386 C ILE A 93 12.007 -9.859 4.096 1.00 0.00 C ATOM 1387 O ILE A 93 13.040 -9.339 3.674 1.00 0.00 O ATOM 1388 CB ILE A 93 10.650 -11.321 2.574 1.00 0.00 C ATOM 1389 CG1 ILE A 93 10.756 -12.619 1.772 1.00 0.00 C ATOM 1390 CG2 ILE A 93 10.850 -10.130 1.653 1.00 0.00 C ATOM 1391 CD1 ILE A 93 10.524 -13.871 2.587 1.00 0.00 C ATOM 0 H ILE A 93 10.180 -12.250 4.858 1.00 0.00 H new ATOM 0 HA ILE A 93 12.569 -11.821 3.412 1.00 0.00 H new ATOM 0 HB ILE A 93 9.654 -11.262 3.012 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.032 -12.590 0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.745 -12.673 1.318 1.00 0.00 H new ATOM 0 HG21 ILE A 93 10.121 -10.170 0.843 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.715 -9.207 2.217 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.857 -10.157 1.237 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.617 -14.746 1.944 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.264 -13.927 3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.524 -13.843 3.020 1.00 0.00 H new ATOM 1403 N ILE A 94 11.138 -9.223 4.882 1.00 0.00 N ATOM 1404 CA ILE A 94 11.347 -7.830 5.264 1.00 0.00 C ATOM 1405 C ILE A 94 12.709 -7.663 5.906 1.00 0.00 C ATOM 1406 O ILE A 94 13.475 -6.790 5.533 1.00 0.00 O ATOM 1407 CB ILE A 94 10.288 -7.310 6.257 1.00 0.00 C ATOM 1408 CG1 ILE A 94 8.882 -7.601 5.748 1.00 0.00 C ATOM 1409 CG2 ILE A 94 10.468 -5.812 6.476 1.00 0.00 C ATOM 1410 CD1 ILE A 94 7.792 -7.067 6.649 1.00 0.00 C ATOM 0 H ILE A 94 10.292 -9.646 5.262 1.00 0.00 H new ATOM 0 HA ILE A 94 11.268 -7.251 4.344 1.00 0.00 H new ATOM 0 HB ILE A 94 10.423 -7.827 7.207 1.00 0.00 H new ATOM 0 HG12 ILE A 94 8.767 -7.167 4.755 1.00 0.00 H new ATOM 0 HG13 ILE A 94 8.759 -8.679 5.641 1.00 0.00 H new ATOM 0 HG21 ILE A 94 9.716 -5.454 7.179 1.00 0.00 H new ATOM 0 HG22 ILE A 94 11.462 -5.620 6.880 1.00 0.00 H new ATOM 0 HG23 ILE A 94 10.355 -5.289 5.526 1.00 0.00 H new ATOM 0 HD11 ILE A 94 6.818 -7.310 6.225 1.00 0.00 H new ATOM 0 HD12 ILE A 94 7.882 -7.520 7.636 1.00 0.00 H new ATOM 0 HD13 ILE A 94 7.890 -5.985 6.736 1.00 0.00 H new ATOM 1422 N HIS A 95 13.022 -8.544 6.840 1.00 0.00 N ATOM 1423 CA HIS A 95 14.260 -8.416 7.593 1.00 0.00 C ATOM 1424 C HIS A 95 15.467 -8.716 6.708 1.00 0.00 C ATOM 1425 O HIS A 95 16.482 -8.022 6.775 1.00 0.00 O ATOM 1426 CB HIS A 95 14.269 -9.354 8.810 1.00 0.00 C ATOM 1427 CG HIS A 95 13.161 -9.116 9.791 1.00 0.00 C ATOM 1428 ND1 HIS A 95 12.716 -10.087 10.659 1.00 0.00 N ATOM 1429 CD2 HIS A 95 12.422 -8.014 10.054 1.00 0.00 C ATOM 1430 CE1 HIS A 95 11.757 -9.593 11.416 1.00 0.00 C ATOM 1431 NE2 HIS A 95 11.555 -8.333 11.072 1.00 0.00 N ATOM 0 H HIS A 95 12.445 -9.346 7.094 1.00 0.00 H new ATOM 0 HA HIS A 95 14.323 -7.386 7.944 1.00 0.00 H new ATOM 0 HB2 HIS A 95 14.210 -10.384 8.458 1.00 0.00 H new ATOM 0 HB3 HIS A 95 15.223 -9.248 9.327 1.00 0.00 H new ATOM 0 HD2 HIS A 95 12.499 -7.059 9.556 1.00 0.00 H new ATOM 0 HE1 HIS A 95 11.225 -10.128 12.188 1.00 0.00 H new ATOM 0 HE2 HIS A 95 10.871 -7.703 11.491 1.00 0.00 H new ATOM 1440 N GLY A 96 15.323 -9.683 5.811 1.00 0.00 N ATOM 1441 CA GLY A 96 16.461 -10.123 5.036 1.00 0.00 C ATOM 1442 C GLY A 96 16.700 -9.254 3.828 1.00 0.00 C ATOM 1443 O GLY A 96 17.823 -8.806 3.583 1.00 0.00 O ATOM 0 H GLY A 96 14.447 -10.165 5.609 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.351 -10.118 5.666 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.303 -11.153 4.715 1.00 0.00 H new ATOM 1447 N CYS A 97 15.644 -8.997 3.079 1.00 0.00 N ATOM 1448 CA CYS A 97 15.756 -8.234 1.859 1.00 0.00 C ATOM 1449 C CYS A 97 15.994 -6.749 2.143 1.00 0.00 C ATOM 1450 O CYS A 97 16.742 -6.103 1.418 1.00 0.00 O ATOM 1451 CB CYS A 97 14.523 -8.440 0.980 1.00 0.00 C ATOM 1452 SG CYS A 97 14.130 -10.202 0.670 1.00 0.00 S ATOM 0 H CYS A 97 14.698 -9.308 3.299 1.00 0.00 H new ATOM 0 HA CYS A 97 16.627 -8.600 1.315 1.00 0.00 H new ATOM 0 HB2 CYS A 97 13.665 -7.963 1.454 1.00 0.00 H new ATOM 0 HB3 CYS A 97 14.680 -7.938 0.025 1.00 0.00 H new ATOM 1457 N GLU A 98 15.360 -6.199 3.190 1.00 0.00 N ATOM 1458 CA GLU A 98 15.613 -4.808 3.579 1.00 0.00 C ATOM 1459 C GLU A 98 17.037 -4.651 4.106 1.00 0.00 C ATOM 1460 O GLU A 98 17.695 -3.645 3.837 1.00 0.00 O ATOM 1461 CB GLU A 98 14.604 -4.324 4.633 1.00 0.00 C ATOM 1462 CG GLU A 98 14.612 -2.816 4.846 1.00 0.00 C ATOM 1463 CD GLU A 98 13.656 -2.365 5.937 1.00 0.00 C ATOM 1464 OE1 GLU A 98 12.452 -2.173 5.649 1.00 0.00 O ATOM 1465 OE2 GLU A 98 14.105 -2.175 7.088 1.00 0.00 O ATOM 0 H GLU A 98 14.680 -6.688 3.772 1.00 0.00 H new ATOM 0 HA GLU A 98 15.492 -4.191 2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.603 -4.634 4.333 1.00 0.00 H new ATOM 0 HB3 GLU A 98 14.819 -4.816 5.581 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.622 -2.496 5.101 1.00 0.00 H new ATOM 0 HG3 GLU A 98 14.347 -2.321 3.911 1.00 0.00 H new ATOM 1472 N LYS A 99 17.528 -5.654 4.838 1.00 0.00 N ATOM 1473 CA LYS A 99 18.903 -5.627 5.315 1.00 0.00 C ATOM 1474 C LYS A 99 19.881 -5.665 4.139 1.00 0.00 C ATOM 1475 O LYS A 99 20.951 -5.056 4.188 1.00 0.00 O ATOM 1476 CB LYS A 99 19.159 -6.805 6.259 1.00 0.00 C ATOM 1477 CG LYS A 99 20.591 -6.899 6.756 1.00 0.00 C ATOM 1478 CD LYS A 99 20.986 -5.685 7.581 1.00 0.00 C ATOM 1479 CE LYS A 99 22.418 -5.796 8.080 1.00 0.00 C ATOM 1480 NZ LYS A 99 22.604 -6.960 8.987 1.00 0.00 N ATOM 0 H LYS A 99 16.998 -6.483 5.108 1.00 0.00 H new ATOM 0 HA LYS A 99 19.061 -4.698 5.863 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.492 -6.721 7.117 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.902 -7.731 5.745 1.00 0.00 H new ATOM 0 HG2 LYS A 99 20.708 -7.800 7.358 1.00 0.00 H new ATOM 0 HG3 LYS A 99 21.265 -6.994 5.905 1.00 0.00 H new ATOM 0 HD2 LYS A 99 20.878 -4.783 6.979 1.00 0.00 H new ATOM 0 HD3 LYS A 99 20.310 -5.584 8.430 1.00 0.00 H new ATOM 0 HE2 LYS A 99 23.092 -5.889 7.229 1.00 0.00 H new ATOM 0 HE3 LYS A 99 22.691 -4.880 8.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 23.519 -6.878 9.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 21.838 -6.978 9.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 22.586 -7.839 8.432 1.00 0.00 H new ATOM 1494 N SER A 100 19.500 -6.361 3.079 1.00 0.00 N ATOM 1495 CA SER A 100 20.356 -6.501 1.907 1.00 0.00 C ATOM 1496 C SER A 100 19.975 -5.498 0.817 1.00 0.00 C ATOM 1497 O SER A 100 20.495 -5.550 -0.299 1.00 0.00 O ATOM 1498 CB SER A 100 20.256 -7.927 1.365 1.00 0.00 C ATOM 1499 OG SER A 100 20.373 -8.880 2.414 1.00 0.00 O ATOM 0 H SER A 100 18.602 -6.839 3.004 1.00 0.00 H new ATOM 0 HA SER A 100 21.383 -6.295 2.207 1.00 0.00 H new ATOM 0 HB2 SER A 100 19.303 -8.059 0.853 1.00 0.00 H new ATOM 0 HB3 SER A 100 21.040 -8.095 0.627 1.00 0.00 H new ATOM 0 HG SER A 100 19.524 -8.937 2.901 1.00 0.00 H new ATOM 1505 N ALA A 101 19.080 -4.578 1.149 1.00 0.00 N ATOM 1506 CA ALA A 101 18.587 -3.604 0.185 1.00 0.00 C ATOM 1507 C ALA A 101 19.601 -2.485 -0.024 1.00 0.00 C ATOM 1508 O ALA A 101 20.447 -2.240 0.841 1.00 0.00 O ATOM 1509 CB ALA A 101 17.245 -3.039 0.642 1.00 0.00 C ATOM 0 H ALA A 101 18.679 -4.486 2.082 1.00 0.00 H new ATOM 0 HA ALA A 101 18.443 -4.109 -0.770 1.00 0.00 H new ATOM 0 HB1 ALA A 101 16.889 -2.312 -0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.521 -3.849 0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.366 -2.552 1.610 1.00 0.00 H new ATOM 1515 N PRO A 102 19.549 -1.817 -1.191 1.00 0.00 N ATOM 1516 CA PRO A 102 20.417 -0.675 -1.490 1.00 0.00 C ATOM 1517 C PRO A 102 20.349 0.395 -0.402 1.00 0.00 C ATOM 1518 O PRO A 102 19.271 0.709 0.105 1.00 0.00 O ATOM 1519 CB PRO A 102 19.849 -0.132 -2.805 1.00 0.00 C ATOM 1520 CG PRO A 102 19.188 -1.301 -3.443 1.00 0.00 C ATOM 1521 CD PRO A 102 18.647 -2.132 -2.316 1.00 0.00 C ATOM 0 HA PRO A 102 21.467 -0.962 -1.550 1.00 0.00 H new ATOM 0 HB2 PRO A 102 19.139 0.675 -2.626 1.00 0.00 H new ATOM 0 HB3 PRO A 102 20.638 0.272 -3.440 1.00 0.00 H new ATOM 0 HG2 PRO A 102 18.389 -0.981 -4.111 1.00 0.00 H new ATOM 0 HG3 PRO A 102 19.897 -1.871 -4.044 1.00 0.00 H new ATOM 0 HD2 PRO A 102 17.614 -1.873 -2.086 1.00 0.00 H new ATOM 0 HD3 PRO A 102 18.663 -3.195 -2.558 1.00 0.00 H new ATOM 1529 N PRO A 103 21.505 0.967 -0.031 1.00 0.00 N ATOM 1530 CA PRO A 103 21.605 1.998 1.017 1.00 0.00 C ATOM 1531 C PRO A 103 21.023 3.351 0.591 1.00 0.00 C ATOM 1532 O PRO A 103 21.518 4.406 0.992 1.00 0.00 O ATOM 1533 CB PRO A 103 23.120 2.126 1.251 1.00 0.00 C ATOM 1534 CG PRO A 103 23.733 0.956 0.557 1.00 0.00 C ATOM 1535 CD PRO A 103 22.821 0.638 -0.584 1.00 0.00 C ATOM 0 HA PRO A 103 21.036 1.716 1.903 1.00 0.00 H new ATOM 0 HB2 PRO A 103 23.501 3.064 0.848 1.00 0.00 H new ATOM 0 HB3 PRO A 103 23.354 2.117 2.315 1.00 0.00 H new ATOM 0 HG2 PRO A 103 24.736 1.193 0.202 1.00 0.00 H new ATOM 0 HG3 PRO A 103 23.826 0.105 1.232 1.00 0.00 H new ATOM 0 HD2 PRO A 103 23.052 1.233 -1.467 1.00 0.00 H new ATOM 0 HD3 PRO A 103 22.888 -0.409 -0.879 1.00 0.00 H new ATOM 1543 N ASN A 104 19.962 3.313 -0.196 1.00 0.00 N ATOM 1544 CA ASN A 104 19.294 4.524 -0.645 1.00 0.00 C ATOM 1545 C ASN A 104 18.113 4.824 0.268 1.00 0.00 C ATOM 1546 O ASN A 104 17.195 4.013 0.394 1.00 0.00 O ATOM 1547 CB ASN A 104 18.818 4.362 -2.090 1.00 0.00 C ATOM 1548 CG ASN A 104 18.178 5.623 -2.643 1.00 0.00 C ATOM 1549 OD1 ASN A 104 18.548 6.737 -2.274 1.00 0.00 O ATOM 1550 ND2 ASN A 104 17.217 5.455 -3.539 1.00 0.00 N ATOM 0 H ASN A 104 19.541 2.450 -0.540 1.00 0.00 H new ATOM 0 HA ASN A 104 19.997 5.356 -0.605 1.00 0.00 H new ATOM 0 HB2 ASN A 104 19.665 4.084 -2.718 1.00 0.00 H new ATOM 0 HB3 ASN A 104 18.101 3.543 -2.142 1.00 0.00 H new ATOM 0 HD21 ASN A 104 16.755 6.266 -3.949 1.00 0.00 H new ATOM 0 HD22 ASN A 104 16.939 4.514 -3.819 1.00 0.00 H new ATOM 1557 N ASP A 105 18.145 5.979 0.915 1.00 0.00 N ATOM 1558 CA ASP A 105 17.120 6.329 1.891 1.00 0.00 C ATOM 1559 C ASP A 105 15.830 6.764 1.211 1.00 0.00 C ATOM 1560 O ASP A 105 15.699 7.910 0.773 1.00 0.00 O ATOM 1561 CB ASP A 105 17.607 7.436 2.830 1.00 0.00 C ATOM 1562 CG ASP A 105 16.584 7.786 3.897 1.00 0.00 C ATOM 1563 OD1 ASP A 105 16.609 7.162 4.981 1.00 0.00 O ATOM 1564 OD2 ASP A 105 15.754 8.690 3.665 1.00 0.00 O ATOM 0 H ASP A 105 18.866 6.689 0.784 1.00 0.00 H new ATOM 0 HA ASP A 105 16.918 5.433 2.477 1.00 0.00 H new ATOM 0 HB2 ASP A 105 18.533 7.120 3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 105 17.838 8.327 2.247 1.00 0.00 H new ATOM 1569 N ASP A 106 14.908 5.830 1.067 1.00 0.00 N ATOM 1570 CA ASP A 106 13.561 6.158 0.640 1.00 0.00 C ATOM 1571 C ASP A 106 12.553 5.260 1.336 1.00 0.00 C ATOM 1572 O ASP A 106 12.603 4.029 1.201 1.00 0.00 O ATOM 1573 CB ASP A 106 13.394 6.046 -0.872 1.00 0.00 C ATOM 1574 CG ASP A 106 12.013 6.494 -1.329 1.00 0.00 C ATOM 1575 OD1 ASP A 106 11.036 5.736 -1.134 1.00 0.00 O ATOM 1576 OD2 ASP A 106 11.908 7.610 -1.885 1.00 0.00 O ATOM 0 H ASP A 106 15.068 4.838 1.240 1.00 0.00 H new ATOM 0 HA ASP A 106 13.380 7.196 0.918 1.00 0.00 H new ATOM 0 HB2 ASP A 106 14.153 6.652 -1.366 1.00 0.00 H new ATOM 0 HB3 ASP A 106 13.560 5.014 -1.179 1.00 0.00 H new ATOM 1581 N LYS A 107 11.673 5.911 2.092 1.00 0.00 N ATOM 1582 CA LYS A 107 10.580 5.270 2.831 1.00 0.00 C ATOM 1583 C LYS A 107 10.053 3.989 2.169 1.00 0.00 C ATOM 1584 O LYS A 107 10.281 2.890 2.675 1.00 0.00 O ATOM 1585 CB LYS A 107 9.428 6.263 2.988 1.00 0.00 C ATOM 1586 CG LYS A 107 8.285 5.746 3.847 1.00 0.00 C ATOM 1587 CD LYS A 107 7.041 6.624 3.741 1.00 0.00 C ATOM 1588 CE LYS A 107 7.258 8.029 4.295 1.00 0.00 C ATOM 1589 NZ LYS A 107 8.048 8.896 3.378 1.00 0.00 N ATOM 0 H LYS A 107 11.698 6.923 2.213 1.00 0.00 H new ATOM 0 HA LYS A 107 10.989 4.977 3.798 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.812 7.184 3.427 1.00 0.00 H new ATOM 0 HB3 LYS A 107 9.042 6.517 2.001 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.037 4.729 3.544 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.607 5.699 4.887 1.00 0.00 H new ATOM 0 HD2 LYS A 107 6.739 6.693 2.696 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.220 6.149 4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 107 6.290 8.494 4.483 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.771 7.961 5.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 8.999 9.043 3.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 8.126 8.437 2.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 7.571 9.814 3.272 1.00 0.00 H new ATOM 1603 N CYS A 108 9.341 4.122 1.055 1.00 0.00 N ATOM 1604 CA CYS A 108 8.712 2.968 0.437 1.00 0.00 C ATOM 1605 C CYS A 108 9.626 2.254 -0.565 1.00 0.00 C ATOM 1606 O CYS A 108 9.348 1.120 -0.935 1.00 0.00 O ATOM 1607 CB CYS A 108 7.403 3.362 -0.247 1.00 0.00 C ATOM 1608 SG CYS A 108 6.093 3.977 0.876 1.00 0.00 S ATOM 0 H CYS A 108 9.188 5.006 0.569 1.00 0.00 H new ATOM 0 HA CYS A 108 8.505 2.267 1.245 1.00 0.00 H new ATOM 0 HB2 CYS A 108 7.616 4.133 -0.988 1.00 0.00 H new ATOM 0 HB3 CYS A 108 7.019 2.497 -0.788 1.00 0.00 H new ATOM 1613 N MET A 109 10.724 2.883 -0.993 1.00 0.00 N ATOM 1614 CA MET A 109 11.613 2.244 -1.970 1.00 0.00 C ATOM 1615 C MET A 109 12.217 0.977 -1.389 1.00 0.00 C ATOM 1616 O MET A 109 12.274 -0.059 -2.054 1.00 0.00 O ATOM 1617 CB MET A 109 12.730 3.183 -2.429 1.00 0.00 C ATOM 1618 CG MET A 109 12.341 4.103 -3.582 1.00 0.00 C ATOM 1619 SD MET A 109 12.557 3.357 -5.219 1.00 0.00 S ATOM 1620 CE MET A 109 11.365 2.019 -5.189 1.00 0.00 C ATOM 0 H MET A 109 11.015 3.812 -0.688 1.00 0.00 H new ATOM 0 HA MET A 109 11.006 1.994 -2.840 1.00 0.00 H new ATOM 0 HB2 MET A 109 13.046 3.793 -1.583 1.00 0.00 H new ATOM 0 HB3 MET A 109 13.590 2.585 -2.730 1.00 0.00 H new ATOM 0 HG2 MET A 109 11.299 4.399 -3.463 1.00 0.00 H new ATOM 0 HG3 MET A 109 12.939 5.013 -3.526 1.00 0.00 H new ATOM 0 HE1 MET A 109 11.282 1.583 -6.185 1.00 0.00 H new ATOM 0 HE2 MET A 109 11.694 1.255 -4.485 1.00 0.00 H new ATOM 0 HE3 MET A 109 10.393 2.404 -4.879 1.00 0.00 H new ATOM 1630 N LYS A 110 12.633 1.052 -0.134 1.00 0.00 N ATOM 1631 CA LYS A 110 13.201 -0.118 0.537 1.00 0.00 C ATOM 1632 C LYS A 110 12.148 -1.214 0.679 1.00 0.00 C ATOM 1633 O LYS A 110 12.377 -2.377 0.346 1.00 0.00 O ATOM 1634 CB LYS A 110 13.747 0.242 1.922 1.00 0.00 C ATOM 1635 CG LYS A 110 12.764 0.969 2.829 1.00 0.00 C ATOM 1636 CD LYS A 110 13.039 0.629 4.278 1.00 0.00 C ATOM 1637 CE LYS A 110 12.052 1.282 5.227 1.00 0.00 C ATOM 1638 NZ LYS A 110 11.290 0.262 5.997 1.00 0.00 N ATOM 0 H LYS A 110 12.591 1.896 0.438 1.00 0.00 H new ATOM 0 HA LYS A 110 14.025 -0.479 -0.078 1.00 0.00 H new ATOM 0 HB2 LYS A 110 14.069 -0.673 2.419 1.00 0.00 H new ATOM 0 HB3 LYS A 110 14.633 0.865 1.797 1.00 0.00 H new ATOM 0 HG2 LYS A 110 12.847 2.045 2.679 1.00 0.00 H new ATOM 0 HG3 LYS A 110 11.743 0.689 2.570 1.00 0.00 H new ATOM 0 HD2 LYS A 110 13.001 -0.453 4.407 1.00 0.00 H new ATOM 0 HD3 LYS A 110 14.050 0.945 4.536 1.00 0.00 H new ATOM 0 HE2 LYS A 110 12.585 1.938 5.915 1.00 0.00 H new ATOM 0 HE3 LYS A 110 11.360 1.907 4.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 11.104 0.618 6.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 10.387 0.069 5.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 11.845 -0.615 6.055 1.00 0.00 H new ATOM 1652 N THR A 111 10.999 -0.820 1.192 1.00 0.00 N ATOM 1653 CA THR A 111 9.845 -1.693 1.324 1.00 0.00 C ATOM 1654 C THR A 111 9.370 -2.267 -0.024 1.00 0.00 C ATOM 1655 O THR A 111 8.610 -3.236 -0.058 1.00 0.00 O ATOM 1656 CB THR A 111 8.715 -0.940 2.068 1.00 0.00 C ATOM 1657 OG1 THR A 111 8.349 -1.676 3.243 1.00 0.00 O ATOM 1658 CG2 THR A 111 7.463 -0.701 1.214 1.00 0.00 C ATOM 0 H THR A 111 10.837 0.127 1.534 1.00 0.00 H new ATOM 0 HA THR A 111 10.141 -2.561 1.914 1.00 0.00 H new ATOM 0 HB THR A 111 9.113 0.043 2.322 1.00 0.00 H new ATOM 0 HG1 THR A 111 7.635 -1.201 3.717 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.717 -0.169 1.804 1.00 0.00 H new ATOM 0 HG22 THR A 111 7.727 -0.106 0.340 1.00 0.00 H new ATOM 0 HG23 THR A 111 7.055 -1.659 0.891 1.00 0.00 H new ATOM 1666 N ILE A 112 9.853 -1.715 -1.130 1.00 0.00 N ATOM 1667 CA ILE A 112 9.491 -2.229 -2.436 1.00 0.00 C ATOM 1668 C ILE A 112 10.473 -3.330 -2.808 1.00 0.00 C ATOM 1669 O ILE A 112 10.100 -4.343 -3.405 1.00 0.00 O ATOM 1670 CB ILE A 112 9.456 -1.099 -3.494 1.00 0.00 C ATOM 1671 CG1 ILE A 112 8.008 -0.724 -3.829 1.00 0.00 C ATOM 1672 CG2 ILE A 112 10.218 -1.469 -4.762 1.00 0.00 C ATOM 1673 CD1 ILE A 112 7.224 -0.194 -2.647 1.00 0.00 C ATOM 0 H ILE A 112 10.490 -0.919 -1.145 1.00 0.00 H new ATOM 0 HA ILE A 112 8.484 -2.645 -2.405 1.00 0.00 H new ATOM 0 HB ILE A 112 9.958 -0.235 -3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 112 8.011 0.028 -4.618 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.498 -1.601 -4.227 1.00 0.00 H new ATOM 0 HG21 ILE A 112 10.164 -0.644 -5.473 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.261 -1.667 -4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.775 -2.360 -5.206 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.210 0.049 -2.963 1.00 0.00 H new ATOM 0 HD12 ILE A 112 7.188 -0.952 -1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.709 0.703 -2.261 1.00 0.00 H new ATOM 1685 N ASP A 113 11.727 -3.132 -2.403 1.00 0.00 N ATOM 1686 CA ASP A 113 12.757 -4.149 -2.549 1.00 0.00 C ATOM 1687 C ASP A 113 12.382 -5.417 -1.800 1.00 0.00 C ATOM 1688 O ASP A 113 12.632 -6.514 -2.282 1.00 0.00 O ATOM 1689 CB ASP A 113 14.111 -3.637 -2.047 1.00 0.00 C ATOM 1690 CG ASP A 113 15.025 -3.212 -3.174 1.00 0.00 C ATOM 1691 OD1 ASP A 113 14.743 -2.187 -3.822 1.00 0.00 O ATOM 1692 OD2 ASP A 113 16.027 -3.916 -3.429 1.00 0.00 O ATOM 0 H ASP A 113 12.052 -2.268 -1.968 1.00 0.00 H new ATOM 0 HA ASP A 113 12.839 -4.378 -3.611 1.00 0.00 H new ATOM 0 HB2 ASP A 113 13.950 -2.793 -1.376 1.00 0.00 H new ATOM 0 HB3 ASP A 113 14.598 -4.419 -1.464 1.00 0.00 H new ATOM 1697 N VAL A 114 11.762 -5.278 -0.631 1.00 0.00 N ATOM 1698 CA VAL A 114 11.354 -6.452 0.129 1.00 0.00 C ATOM 1699 C VAL A 114 10.083 -7.057 -0.454 1.00 0.00 C ATOM 1700 O VAL A 114 9.948 -8.273 -0.532 1.00 0.00 O ATOM 1701 CB VAL A 114 11.147 -6.180 1.634 1.00 0.00 C ATOM 1702 CG1 VAL A 114 12.464 -5.893 2.321 1.00 0.00 C ATOM 1703 CG2 VAL A 114 10.211 -5.032 1.857 1.00 0.00 C ATOM 0 H VAL A 114 11.535 -4.383 -0.198 1.00 0.00 H new ATOM 0 HA VAL A 114 12.182 -7.156 0.044 1.00 0.00 H new ATOM 0 HB VAL A 114 10.708 -7.081 2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.288 -5.705 3.380 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.127 -6.751 2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 114 12.927 -5.016 1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.087 -4.867 2.927 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.621 -4.133 1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 114 9.243 -5.260 1.410 1.00 0.00 H new ATOM 1713 N ALA A 115 9.164 -6.208 -0.896 1.00 0.00 N ATOM 1714 CA ALA A 115 7.900 -6.677 -1.450 1.00 0.00 C ATOM 1715 C ALA A 115 8.114 -7.567 -2.675 1.00 0.00 C ATOM 1716 O ALA A 115 7.622 -8.707 -2.732 1.00 0.00 O ATOM 1717 CB ALA A 115 7.029 -5.490 -1.793 1.00 0.00 C ATOM 0 H ALA A 115 9.269 -5.194 -0.882 1.00 0.00 H new ATOM 0 HA ALA A 115 7.400 -7.287 -0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 115 6.084 -5.840 -2.207 1.00 0.00 H new ATOM 0 HB2 ALA A 115 6.837 -4.907 -0.892 1.00 0.00 H new ATOM 0 HB3 ALA A 115 7.538 -4.865 -2.527 1.00 0.00 H new ATOM 1723 N MET A 116 8.874 -7.069 -3.643 1.00 0.00 N ATOM 1724 CA MET A 116 9.145 -7.862 -4.831 1.00 0.00 C ATOM 1725 C MET A 116 10.059 -9.049 -4.491 1.00 0.00 C ATOM 1726 O MET A 116 10.000 -10.092 -5.139 1.00 0.00 O ATOM 1727 CB MET A 116 9.681 -7.000 -6.001 1.00 0.00 C ATOM 1728 CG MET A 116 10.952 -6.190 -5.749 1.00 0.00 C ATOM 1729 SD MET A 116 12.419 -7.206 -5.483 1.00 0.00 S ATOM 1730 CE MET A 116 13.702 -5.957 -5.477 1.00 0.00 C ATOM 0 H MET A 116 9.303 -6.144 -3.630 1.00 0.00 H new ATOM 0 HA MET A 116 8.200 -8.274 -5.185 1.00 0.00 H new ATOM 0 HB2 MET A 116 9.864 -7.659 -6.850 1.00 0.00 H new ATOM 0 HB3 MET A 116 8.893 -6.308 -6.299 1.00 0.00 H new ATOM 0 HG2 MET A 116 11.127 -5.531 -6.599 1.00 0.00 H new ATOM 0 HG3 MET A 116 10.799 -5.553 -4.878 1.00 0.00 H new ATOM 0 HE1 MET A 116 14.431 -6.180 -6.256 1.00 0.00 H new ATOM 0 HE2 MET A 116 13.259 -4.979 -5.665 1.00 0.00 H new ATOM 0 HE3 MET A 116 14.199 -5.950 -4.507 1.00 0.00 H new ATOM 1740 N CYS A 117 10.836 -8.903 -3.418 1.00 0.00 N ATOM 1741 CA CYS A 117 11.708 -9.964 -2.905 1.00 0.00 C ATOM 1742 C CYS A 117 10.872 -11.091 -2.318 1.00 0.00 C ATOM 1743 O CYS A 117 11.280 -12.258 -2.299 1.00 0.00 O ATOM 1744 CB CYS A 117 12.631 -9.362 -1.845 1.00 0.00 C ATOM 1745 SG CYS A 117 14.049 -10.395 -1.354 1.00 0.00 S ATOM 0 H CYS A 117 10.880 -8.040 -2.875 1.00 0.00 H new ATOM 0 HA CYS A 117 12.308 -10.382 -3.714 1.00 0.00 H new ATOM 0 HB2 CYS A 117 13.010 -8.410 -2.218 1.00 0.00 H new ATOM 0 HB3 CYS A 117 12.039 -9.143 -0.956 1.00 0.00 H new ATOM 1750 N PHE A 118 9.678 -10.736 -1.895 1.00 0.00 N ATOM 1751 CA PHE A 118 8.791 -11.683 -1.251 1.00 0.00 C ATOM 1752 C PHE A 118 8.101 -12.546 -2.294 1.00 0.00 C ATOM 1753 O PHE A 118 7.994 -13.760 -2.129 1.00 0.00 O ATOM 1754 CB PHE A 118 7.770 -10.968 -0.356 1.00 0.00 C ATOM 1755 CG PHE A 118 6.712 -11.878 0.205 1.00 0.00 C ATOM 1756 CD1 PHE A 118 7.019 -12.783 1.210 1.00 0.00 C ATOM 1757 CD2 PHE A 118 5.412 -11.827 -0.273 1.00 0.00 C ATOM 1758 CE1 PHE A 118 6.048 -13.619 1.725 1.00 0.00 C ATOM 1759 CE2 PHE A 118 4.437 -12.663 0.240 1.00 0.00 C ATOM 1760 CZ PHE A 118 4.757 -13.560 1.241 1.00 0.00 C ATOM 0 H PHE A 118 9.297 -9.794 -1.986 1.00 0.00 H new ATOM 0 HA PHE A 118 9.387 -12.331 -0.608 1.00 0.00 H new ATOM 0 HB2 PHE A 118 8.297 -10.487 0.468 1.00 0.00 H new ATOM 0 HB3 PHE A 118 7.288 -10.177 -0.931 1.00 0.00 H new ATOM 0 HD1 PHE A 118 8.027 -12.834 1.594 1.00 0.00 H new ATOM 0 HD2 PHE A 118 5.158 -11.127 -1.055 1.00 0.00 H new ATOM 0 HE1 PHE A 118 6.299 -14.320 2.507 1.00 0.00 H new ATOM 0 HE2 PHE A 118 3.428 -12.615 -0.141 1.00 0.00 H new ATOM 0 HZ PHE A 118 3.998 -14.214 1.644 1.00 0.00 H new ATOM 1770 N LYS A 119 7.641 -11.935 -3.381 1.00 0.00 N ATOM 1771 CA LYS A 119 7.027 -12.725 -4.440 1.00 0.00 C ATOM 1772 C LYS A 119 8.090 -13.597 -5.118 1.00 0.00 C ATOM 1773 O LYS A 119 7.776 -14.667 -5.640 1.00 0.00 O ATOM 1774 CB LYS A 119 6.300 -11.840 -5.462 1.00 0.00 C ATOM 1775 CG LYS A 119 7.199 -11.310 -6.562 1.00 0.00 C ATOM 1776 CD LYS A 119 6.852 -9.889 -6.945 1.00 0.00 C ATOM 1777 CE LYS A 119 7.867 -9.352 -7.932 1.00 0.00 C ATOM 1778 NZ LYS A 119 7.719 -9.967 -9.278 1.00 0.00 N ATOM 0 H LYS A 119 7.679 -10.930 -3.549 1.00 0.00 H new ATOM 0 HA LYS A 119 6.273 -13.372 -3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 119 5.489 -12.412 -5.913 1.00 0.00 H new ATOM 0 HB3 LYS A 119 5.845 -10.998 -4.941 1.00 0.00 H new ATOM 0 HG2 LYS A 119 8.237 -11.353 -6.233 1.00 0.00 H new ATOM 0 HG3 LYS A 119 7.115 -11.952 -7.439 1.00 0.00 H new ATOM 0 HD2 LYS A 119 5.855 -9.856 -7.383 1.00 0.00 H new ATOM 0 HD3 LYS A 119 6.830 -9.260 -6.055 1.00 0.00 H new ATOM 0 HE2 LYS A 119 7.755 -8.271 -8.014 1.00 0.00 H new ATOM 0 HE3 LYS A 119 8.873 -9.541 -7.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 8.411 -9.546 -9.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 7.885 -10.992 -9.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.758 -9.794 -9.635 1.00 0.00 H new ATOM 1792 N LYS A 120 9.350 -13.137 -5.108 1.00 0.00 N ATOM 1793 CA LYS A 120 10.462 -13.957 -5.596 1.00 0.00 C ATOM 1794 C LYS A 120 10.542 -15.279 -4.836 1.00 0.00 C ATOM 1795 O LYS A 120 10.541 -16.355 -5.441 1.00 0.00 O ATOM 1796 CB LYS A 120 11.804 -13.232 -5.451 1.00 0.00 C ATOM 1797 CG LYS A 120 12.425 -12.804 -6.773 1.00 0.00 C ATOM 1798 CD LYS A 120 12.142 -11.345 -7.069 1.00 0.00 C ATOM 1799 CE LYS A 120 12.780 -10.440 -6.028 1.00 0.00 C ATOM 1800 NZ LYS A 120 14.258 -10.363 -6.177 1.00 0.00 N ATOM 0 H LYS A 120 9.620 -12.213 -4.771 1.00 0.00 H new ATOM 0 HA LYS A 120 10.269 -14.148 -6.652 1.00 0.00 H new ATOM 0 HB2 LYS A 120 11.663 -12.350 -4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 120 12.503 -13.885 -4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 120 13.502 -12.968 -6.741 1.00 0.00 H new ATOM 0 HG3 LYS A 120 12.032 -13.423 -7.579 1.00 0.00 H new ATOM 0 HD2 LYS A 120 12.523 -11.091 -8.058 1.00 0.00 H new ATOM 0 HD3 LYS A 120 11.065 -11.177 -7.090 1.00 0.00 H new ATOM 0 HE2 LYS A 120 12.356 -9.439 -6.111 1.00 0.00 H new ATOM 0 HE3 LYS A 120 12.536 -10.808 -5.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 14.641 -9.683 -5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 14.674 -11.301 -6.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 14.494 -10.051 -7.141 1.00 0.00 H new ATOM 1814 N GLU A 121 10.623 -15.193 -3.507 1.00 0.00 N ATOM 1815 CA GLU A 121 10.719 -16.396 -2.674 1.00 0.00 C ATOM 1816 C GLU A 121 9.507 -17.331 -2.860 1.00 0.00 C ATOM 1817 O GLU A 121 9.689 -18.536 -3.052 1.00 0.00 O ATOM 1818 CB GLU A 121 10.930 -16.033 -1.191 1.00 0.00 C ATOM 1819 CG GLU A 121 9.663 -15.737 -0.400 1.00 0.00 C ATOM 1820 CD GLU A 121 9.322 -16.847 0.579 1.00 0.00 C ATOM 1821 OE1 GLU A 121 9.962 -16.914 1.652 1.00 0.00 O ATOM 1822 OE2 GLU A 121 8.431 -17.666 0.277 1.00 0.00 O ATOM 0 H GLU A 121 10.624 -14.315 -2.988 1.00 0.00 H new ATOM 0 HA GLU A 121 11.597 -16.948 -3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 121 11.456 -16.855 -0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 121 11.582 -15.161 -1.138 1.00 0.00 H new ATOM 0 HG2 GLU A 121 9.788 -14.801 0.144 1.00 0.00 H new ATOM 0 HG3 GLU A 121 8.831 -15.596 -1.090 1.00 0.00 H new ATOM 1829 N ILE A 122 8.279 -16.789 -2.819 1.00 0.00 N ATOM 1830 CA ILE A 122 7.087 -17.585 -3.025 1.00 0.00 C ATOM 1831 C ILE A 122 7.102 -18.246 -4.407 1.00 0.00 C ATOM 1832 O ILE A 122 6.580 -19.347 -4.588 1.00 0.00 O ATOM 1833 CB ILE A 122 5.809 -16.726 -2.822 1.00 0.00 C ATOM 1834 CG1 ILE A 122 4.766 -17.559 -2.091 1.00 0.00 C ATOM 1835 CG2 ILE A 122 5.245 -16.196 -4.138 1.00 0.00 C ATOM 1836 CD1 ILE A 122 3.445 -16.850 -1.868 1.00 0.00 C ATOM 0 H ILE A 122 8.099 -15.800 -2.644 1.00 0.00 H new ATOM 0 HA ILE A 122 7.075 -18.380 -2.280 1.00 0.00 H new ATOM 0 HB ILE A 122 6.078 -15.853 -2.228 1.00 0.00 H new ATOM 0 HG12 ILE A 122 4.584 -18.471 -2.659 1.00 0.00 H new ATOM 0 HG13 ILE A 122 5.171 -17.860 -1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 122 4.353 -15.602 -3.939 1.00 0.00 H new ATOM 0 HG22 ILE A 122 5.993 -15.574 -4.630 1.00 0.00 H new ATOM 0 HG23 ILE A 122 4.987 -17.033 -4.786 1.00 0.00 H new ATOM 0 HD11 ILE A 122 2.760 -17.514 -1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 122 3.610 -15.952 -1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 122 3.014 -16.573 -2.830 1.00 0.00 H new ATOM 1848 N HIS A 123 7.722 -17.579 -5.378 1.00 0.00 N ATOM 1849 CA HIS A 123 7.866 -18.141 -6.716 1.00 0.00 C ATOM 1850 C HIS A 123 8.854 -19.307 -6.751 1.00 0.00 C ATOM 1851 O HIS A 123 8.695 -20.223 -7.556 1.00 0.00 O ATOM 1852 CB HIS A 123 8.293 -17.066 -7.715 1.00 0.00 C ATOM 1853 CG HIS A 123 7.142 -16.388 -8.387 1.00 0.00 C ATOM 1854 ND1 HIS A 123 7.112 -16.138 -9.740 1.00 0.00 N ATOM 1855 CD2 HIS A 123 5.981 -15.903 -7.889 1.00 0.00 C ATOM 1856 CE1 HIS A 123 5.984 -15.528 -10.048 1.00 0.00 C ATOM 1857 NE2 HIS A 123 5.279 -15.372 -8.943 1.00 0.00 N ATOM 0 H HIS A 123 8.131 -16.652 -5.263 1.00 0.00 H new ATOM 0 HA HIS A 123 6.887 -18.527 -7.001 1.00 0.00 H new ATOM 0 HB2 HIS A 123 8.894 -16.318 -7.198 1.00 0.00 H new ATOM 0 HB3 HIS A 123 8.932 -17.519 -8.474 1.00 0.00 H new ATOM 0 HD2 HIS A 123 5.666 -15.929 -6.856 1.00 0.00 H new ATOM 0 HE1 HIS A 123 5.687 -15.210 -11.037 1.00 0.00 H new ATOM 0 HE2 HIS A 123 4.362 -14.929 -8.882 1.00 0.00 H new ATOM 1866 N LYS A 124 9.867 -19.287 -5.883 1.00 0.00 N ATOM 1867 CA LYS A 124 10.821 -20.379 -5.825 1.00 0.00 C ATOM 1868 C LYS A 124 10.157 -21.598 -5.202 1.00 0.00 C ATOM 1869 O LYS A 124 10.417 -22.734 -5.600 1.00 0.00 O ATOM 1870 CB LYS A 124 12.045 -19.951 -5.008 1.00 0.00 C ATOM 1871 CG LYS A 124 13.160 -20.985 -4.938 1.00 0.00 C ATOM 1872 CD LYS A 124 13.359 -21.489 -3.515 1.00 0.00 C ATOM 1873 CE LYS A 124 12.531 -22.733 -3.227 1.00 0.00 C ATOM 1874 NZ LYS A 124 12.990 -23.910 -4.016 1.00 0.00 N ATOM 0 H LYS A 124 10.041 -18.532 -5.220 1.00 0.00 H new ATOM 0 HA LYS A 124 11.150 -20.636 -6.832 1.00 0.00 H new ATOM 0 HB2 LYS A 124 12.447 -19.033 -5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 124 11.723 -19.716 -3.994 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.923 -21.823 -5.593 1.00 0.00 H new ATOM 0 HG3 LYS A 124 14.089 -20.547 -5.304 1.00 0.00 H new ATOM 0 HD2 LYS A 124 14.414 -21.711 -3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 124 13.087 -20.702 -2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 124 12.587 -22.966 -2.164 1.00 0.00 H new ATOM 0 HE3 LYS A 124 11.484 -22.531 -3.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 12.665 -24.784 -3.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 12.597 -23.858 -4.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 14.029 -23.911 -4.066 1.00 0.00 H new ATOM 1888 N LEU A 125 9.290 -21.351 -4.228 1.00 0.00 N ATOM 1889 CA LEU A 125 8.498 -22.424 -3.635 1.00 0.00 C ATOM 1890 C LEU A 125 7.454 -22.956 -4.618 1.00 0.00 C ATOM 1891 O LEU A 125 7.227 -24.164 -4.678 1.00 0.00 O ATOM 1892 CB LEU A 125 7.793 -21.939 -2.367 1.00 0.00 C ATOM 1893 CG LEU A 125 8.710 -21.473 -1.236 1.00 0.00 C ATOM 1894 CD1 LEU A 125 7.883 -21.042 -0.037 1.00 0.00 C ATOM 1895 CD2 LEU A 125 9.683 -22.576 -0.837 1.00 0.00 C ATOM 0 H LEU A 125 9.117 -20.426 -3.834 1.00 0.00 H new ATOM 0 HA LEU A 125 9.186 -23.231 -3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 125 7.129 -21.117 -2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 125 7.165 -22.746 -1.991 1.00 0.00 H new ATOM 0 HG LEU A 125 9.289 -20.621 -1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 125 8.546 -20.712 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 125 7.225 -20.222 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 125 7.283 -21.882 0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 125 10.325 -22.221 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 125 9.125 -23.449 -0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 125 10.296 -22.848 -1.696 1.00 0.00 H new ATOM 1907 N ASN A 126 6.849 -22.050 -5.398 1.00 0.00 N ATOM 1908 CA ASN A 126 5.826 -22.408 -6.380 1.00 0.00 C ATOM 1909 C ASN A 126 4.733 -23.242 -5.707 1.00 0.00 C ATOM 1910 O ASN A 126 3.974 -22.726 -4.884 1.00 0.00 O ATOM 1911 CB ASN A 126 6.460 -23.151 -7.566 1.00 0.00 C ATOM 1912 CG ASN A 126 5.513 -23.322 -8.739 1.00 0.00 C ATOM 1913 OD1 ASN A 126 4.621 -22.506 -8.962 1.00 0.00 O ATOM 1914 ND2 ASN A 126 5.710 -24.386 -9.499 1.00 0.00 N ATOM 0 H ASN A 126 7.057 -21.052 -5.364 1.00 0.00 H new ATOM 0 HA ASN A 126 5.365 -21.501 -6.772 1.00 0.00 H new ATOM 0 HB2 ASN A 126 7.344 -22.606 -7.897 1.00 0.00 H new ATOM 0 HB3 ASN A 126 6.797 -24.133 -7.233 1.00 0.00 H new ATOM 0 HD21 ASN A 126 5.110 -24.554 -10.306 1.00 0.00 H new ATOM 0 HD22 ASN A 126 6.462 -25.038 -9.278 1.00 0.00 H new ATOM 1921 N TRP A 127 4.665 -24.520 -6.039 1.00 0.00 N ATOM 1922 CA TRP A 127 3.832 -25.457 -5.308 1.00 0.00 C ATOM 1923 C TRP A 127 4.586 -26.764 -5.114 1.00 0.00 C ATOM 1924 O TRP A 127 5.221 -27.260 -6.046 1.00 0.00 O ATOM 1925 CB TRP A 127 2.502 -25.691 -6.032 1.00 0.00 C ATOM 1926 CG TRP A 127 2.629 -25.710 -7.524 1.00 0.00 C ATOM 1927 CD1 TRP A 127 3.434 -26.520 -8.265 1.00 0.00 C ATOM 1928 CD2 TRP A 127 1.924 -24.883 -8.456 1.00 0.00 C ATOM 1929 NE1 TRP A 127 3.295 -26.232 -9.594 1.00 0.00 N ATOM 1930 CE2 TRP A 127 2.367 -25.239 -9.742 1.00 0.00 C ATOM 1931 CE3 TRP A 127 0.963 -23.873 -8.330 1.00 0.00 C ATOM 1932 CZ2 TRP A 127 1.883 -24.623 -10.892 1.00 0.00 C ATOM 1933 CZ3 TRP A 127 0.483 -23.266 -9.473 1.00 0.00 C ATOM 1934 CH2 TRP A 127 0.944 -23.643 -10.740 1.00 0.00 C ATOM 0 H TRP A 127 5.181 -24.934 -6.816 1.00 0.00 H new ATOM 0 HA TRP A 127 3.600 -25.035 -4.330 1.00 0.00 H new ATOM 0 HB2 TRP A 127 2.078 -26.639 -5.699 1.00 0.00 H new ATOM 0 HB3 TRP A 127 1.799 -24.909 -5.745 1.00 0.00 H new ATOM 0 HD1 TRP A 127 4.087 -27.280 -7.862 1.00 0.00 H new ATOM 0 HE1 TRP A 127 3.802 -26.685 -10.354 1.00 0.00 H new ATOM 0 HE3 TRP A 127 0.604 -23.574 -7.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 2.238 -24.910 -11.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 -0.261 -22.487 -9.388 1.00 0.00 H new ATOM 0 HH2 TRP A 127 0.549 -23.149 -11.615 1.00 0.00 H new ATOM 1945 N VAL A 128 4.527 -27.302 -3.901 1.00 0.00 N ATOM 1946 CA VAL A 128 5.250 -28.524 -3.552 1.00 0.00 C ATOM 1947 C VAL A 128 6.765 -28.313 -3.678 1.00 0.00 C ATOM 1948 O VAL A 128 7.369 -28.618 -4.708 1.00 0.00 O ATOM 1949 CB VAL A 128 4.811 -29.728 -4.423 1.00 0.00 C ATOM 1950 CG1 VAL A 128 5.516 -31.005 -3.989 1.00 0.00 C ATOM 1951 CG2 VAL A 128 3.300 -29.910 -4.364 1.00 0.00 C ATOM 0 H VAL A 128 3.981 -26.908 -3.135 1.00 0.00 H new ATOM 0 HA VAL A 128 5.004 -28.754 -2.515 1.00 0.00 H new ATOM 0 HB VAL A 128 5.097 -29.517 -5.454 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.189 -31.833 -4.618 1.00 0.00 H new ATOM 0 HG12 VAL A 128 6.594 -30.878 -4.089 1.00 0.00 H new ATOM 0 HG13 VAL A 128 5.271 -31.220 -2.949 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.012 -30.760 -4.982 1.00 0.00 H new ATOM 0 HG22 VAL A 128 2.995 -30.091 -3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 128 2.810 -29.009 -4.735 1.00 0.00 H new ATOM 1961 N PRO A 129 7.390 -27.743 -2.637 1.00 0.00 N ATOM 1962 CA PRO A 129 8.821 -27.500 -2.615 1.00 0.00 C ATOM 1963 C PRO A 129 9.589 -28.697 -2.068 1.00 0.00 C ATOM 1964 O PRO A 129 9.377 -29.122 -0.930 1.00 0.00 O ATOM 1965 CB PRO A 129 8.962 -26.293 -1.680 1.00 0.00 C ATOM 1966 CG PRO A 129 7.682 -26.210 -0.895 1.00 0.00 C ATOM 1967 CD PRO A 129 6.754 -27.288 -1.400 1.00 0.00 C ATOM 0 HA PRO A 129 9.228 -27.327 -3.611 1.00 0.00 H new ATOM 0 HB2 PRO A 129 9.817 -26.415 -1.016 1.00 0.00 H new ATOM 0 HB3 PRO A 129 9.128 -25.378 -2.249 1.00 0.00 H new ATOM 0 HG2 PRO A 129 7.878 -26.344 0.169 1.00 0.00 H new ATOM 0 HG3 PRO A 129 7.225 -25.228 -1.014 1.00 0.00 H new ATOM 0 HD2 PRO A 129 6.654 -28.100 -0.679 1.00 0.00 H new ATOM 0 HD3 PRO A 129 5.752 -26.900 -1.584 1.00 0.00 H new ATOM 1975 N ASN A 130 10.472 -29.249 -2.882 1.00 0.00 N ATOM 1976 CA ASN A 130 11.250 -30.406 -2.471 1.00 0.00 C ATOM 1977 C ASN A 130 12.600 -29.984 -1.918 1.00 0.00 C ATOM 1978 O ASN A 130 13.487 -29.560 -2.658 1.00 0.00 O ATOM 1979 CB ASN A 130 11.437 -31.388 -3.632 1.00 0.00 C ATOM 1980 CG ASN A 130 10.209 -32.249 -3.870 1.00 0.00 C ATOM 1981 OD1 ASN A 130 9.077 -31.828 -3.624 1.00 0.00 O ATOM 1982 ND2 ASN A 130 10.424 -33.468 -4.337 1.00 0.00 N ATOM 0 H ASN A 130 10.668 -28.917 -3.826 1.00 0.00 H new ATOM 0 HA ASN A 130 10.694 -30.911 -1.681 1.00 0.00 H new ATOM 0 HB2 ASN A 130 11.668 -30.832 -4.540 1.00 0.00 H new ATOM 0 HB3 ASN A 130 12.293 -32.031 -3.426 1.00 0.00 H new ATOM 0 HD21 ASN A 130 9.638 -34.096 -4.506 1.00 0.00 H new ATOM 0 HD22 ASN A 130 11.376 -33.780 -4.528 1.00 0.00 H new ATOM 1989 N MET A 131 12.735 -30.079 -0.606 1.00 0.00 N ATOM 1990 CA MET A 131 13.990 -29.776 0.064 1.00 0.00 C ATOM 1991 C MET A 131 14.913 -30.983 -0.026 1.00 0.00 C ATOM 1992 O MET A 131 14.458 -32.123 0.073 1.00 0.00 O ATOM 1993 CB MET A 131 13.734 -29.402 1.527 1.00 0.00 C ATOM 1994 CG MET A 131 12.802 -28.210 1.687 1.00 0.00 C ATOM 1995 SD MET A 131 12.405 -27.854 3.409 1.00 0.00 S ATOM 1996 CE MET A 131 11.241 -26.506 3.200 1.00 0.00 C ATOM 0 H MET A 131 11.984 -30.366 0.022 1.00 0.00 H new ATOM 0 HA MET A 131 14.466 -28.926 -0.425 1.00 0.00 H new ATOM 0 HB2 MET A 131 13.307 -30.261 2.045 1.00 0.00 H new ATOM 0 HB3 MET A 131 14.685 -29.179 2.010 1.00 0.00 H new ATOM 0 HG2 MET A 131 13.264 -27.331 1.237 1.00 0.00 H new ATOM 0 HG3 MET A 131 11.879 -28.401 1.139 1.00 0.00 H new ATOM 0 HE1 MET A 131 10.897 -26.168 4.177 1.00 0.00 H new ATOM 0 HE2 MET A 131 11.729 -25.681 2.681 1.00 0.00 H new ATOM 0 HE3 MET A 131 10.388 -26.849 2.614 1.00 0.00 H new ATOM 2006 N ASP A 132 16.198 -30.741 -0.231 1.00 0.00 N ATOM 2007 CA ASP A 132 17.146 -31.833 -0.417 1.00 0.00 C ATOM 2008 C ASP A 132 17.633 -32.349 0.930 1.00 0.00 C ATOM 2009 O ASP A 132 18.095 -31.573 1.770 1.00 0.00 O ATOM 2010 CB ASP A 132 18.344 -31.379 -1.257 1.00 0.00 C ATOM 2011 CG ASP A 132 19.119 -32.548 -1.847 1.00 0.00 C ATOM 2012 OD1 ASP A 132 19.556 -33.437 -1.087 1.00 0.00 O ATOM 2013 OD2 ASP A 132 19.294 -32.580 -3.081 1.00 0.00 O ATOM 0 H ASP A 132 16.608 -29.808 -0.273 1.00 0.00 H new ATOM 0 HA ASP A 132 16.632 -32.636 -0.945 1.00 0.00 H new ATOM 0 HB2 ASP A 132 17.995 -30.735 -2.064 1.00 0.00 H new ATOM 0 HB3 ASP A 132 19.012 -30.780 -0.638 1.00 0.00 H new ATOM 2018 N LEU A 133 17.520 -33.651 1.135 1.00 0.00 N ATOM 2019 CA LEU A 133 18.006 -34.271 2.352 1.00 0.00 C ATOM 2020 C LEU A 133 19.500 -34.544 2.236 1.00 0.00 C ATOM 2021 O LEU A 133 19.923 -35.639 1.858 1.00 0.00 O ATOM 2022 CB LEU A 133 17.244 -35.569 2.643 1.00 0.00 C ATOM 2023 CG LEU A 133 17.669 -36.302 3.916 1.00 0.00 C ATOM 2024 CD1 LEU A 133 17.456 -35.420 5.135 1.00 0.00 C ATOM 2025 CD2 LEU A 133 16.900 -37.607 4.056 1.00 0.00 C ATOM 0 H LEU A 133 17.095 -34.298 0.471 1.00 0.00 H new ATOM 0 HA LEU A 133 17.836 -33.586 3.183 1.00 0.00 H new ATOM 0 HB2 LEU A 133 16.181 -35.339 2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 133 17.370 -36.243 1.796 1.00 0.00 H new ATOM 0 HG LEU A 133 18.732 -36.534 3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 133 17.764 -35.958 6.032 1.00 0.00 H new ATOM 0 HD12 LEU A 133 18.050 -34.512 5.035 1.00 0.00 H new ATOM 0 HD13 LEU A 133 16.401 -35.157 5.214 1.00 0.00 H new ATOM 0 HD21 LEU A 133 17.213 -38.118 4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 133 15.832 -37.396 4.107 1.00 0.00 H new ATOM 0 HD23 LEU A 133 17.103 -38.243 3.195 1.00 0.00 H new ATOM 2037 N VAL A 134 20.291 -33.524 2.515 1.00 0.00 N ATOM 2038 CA VAL A 134 21.735 -33.655 2.489 1.00 0.00 C ATOM 2039 C VAL A 134 22.214 -34.273 3.796 1.00 0.00 C ATOM 2040 O VAL A 134 21.732 -33.917 4.872 1.00 0.00 O ATOM 2041 CB VAL A 134 22.427 -32.291 2.272 1.00 0.00 C ATOM 2042 CG1 VAL A 134 23.938 -32.450 2.173 1.00 0.00 C ATOM 2043 CG2 VAL A 134 21.880 -31.606 1.028 1.00 0.00 C ATOM 0 H VAL A 134 19.956 -32.593 2.763 1.00 0.00 H new ATOM 0 HA VAL A 134 22.000 -34.301 1.652 1.00 0.00 H new ATOM 0 HB VAL A 134 22.211 -31.664 3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 134 24.397 -31.473 2.020 1.00 0.00 H new ATOM 0 HG12 VAL A 134 24.319 -32.890 3.095 1.00 0.00 H new ATOM 0 HG13 VAL A 134 24.181 -33.101 1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 134 22.379 -30.647 0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 134 22.060 -32.236 0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 134 20.808 -31.444 1.143 1.00 0.00 H new ATOM 2053 N ILE A 135 23.156 -35.196 3.702 1.00 0.00 N ATOM 2054 CA ILE A 135 23.672 -35.877 4.880 1.00 0.00 C ATOM 2055 C ILE A 135 25.164 -36.142 4.743 1.00 0.00 C ATOM 2056 O ILE A 135 25.588 -37.082 4.074 1.00 0.00 O ATOM 2057 CB ILE A 135 22.928 -37.204 5.232 1.00 0.00 C ATOM 2058 CG1 ILE A 135 22.155 -37.820 4.047 1.00 0.00 C ATOM 2059 CG2 ILE A 135 21.982 -36.974 6.398 1.00 0.00 C ATOM 2060 CD1 ILE A 135 23.021 -38.261 2.884 1.00 0.00 C ATOM 0 H ILE A 135 23.580 -35.492 2.823 1.00 0.00 H new ATOM 0 HA ILE A 135 23.488 -35.193 5.709 1.00 0.00 H new ATOM 0 HB ILE A 135 23.701 -37.923 5.502 1.00 0.00 H new ATOM 0 HG12 ILE A 135 21.590 -38.680 4.407 1.00 0.00 H new ATOM 0 HG13 ILE A 135 21.430 -37.091 3.686 1.00 0.00 H new ATOM 0 HG21 ILE A 135 21.467 -37.904 6.637 1.00 0.00 H new ATOM 0 HG22 ILE A 135 22.549 -36.640 7.266 1.00 0.00 H new ATOM 0 HG23 ILE A 135 21.250 -36.213 6.128 1.00 0.00 H new ATOM 0 HD11 ILE A 135 22.391 -38.681 2.100 1.00 0.00 H new ATOM 0 HD12 ILE A 135 23.567 -37.403 2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 135 23.729 -39.017 3.224 1.00 0.00 H new ATOM 2072 N GLY A 136 25.955 -35.280 5.359 1.00 0.00 N ATOM 2073 CA GLY A 136 27.389 -35.457 5.347 1.00 0.00 C ATOM 2074 C GLY A 136 27.843 -36.342 6.482 1.00 0.00 C ATOM 2075 O GLY A 136 27.112 -36.527 7.456 1.00 0.00 O ATOM 0 H GLY A 136 25.628 -34.459 5.868 1.00 0.00 H new ATOM 0 HA2 GLY A 136 27.695 -35.895 4.397 1.00 0.00 H new ATOM 0 HA3 GLY A 136 27.878 -34.486 5.423 1.00 0.00 H new ATOM 2079 N GLU A 137 29.036 -36.896 6.364 1.00 0.00 N ATOM 2080 CA GLU A 137 29.574 -37.752 7.415 1.00 0.00 C ATOM 2081 C GLU A 137 30.679 -37.024 8.168 1.00 0.00 C ATOM 2082 O GLU A 137 31.347 -36.148 7.612 1.00 0.00 O ATOM 2083 CB GLU A 137 30.089 -39.084 6.843 1.00 0.00 C ATOM 2084 CG GLU A 137 31.374 -38.982 6.030 1.00 0.00 C ATOM 2085 CD GLU A 137 31.662 -40.249 5.254 1.00 0.00 C ATOM 2086 OE1 GLU A 137 31.104 -40.418 4.152 1.00 0.00 O ATOM 2087 OE2 GLU A 137 32.441 -41.090 5.748 1.00 0.00 O ATOM 0 H GLU A 137 29.650 -36.772 5.559 1.00 0.00 H new ATOM 0 HA GLU A 137 28.768 -37.984 8.111 1.00 0.00 H new ATOM 0 HB2 GLU A 137 30.253 -39.777 7.668 1.00 0.00 H new ATOM 0 HB3 GLU A 137 29.312 -39.516 6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 137 31.298 -38.143 5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 137 32.209 -38.770 6.698 1.00 0.00 H new ATOM 2094 N VAL A 138 30.852 -37.365 9.438 1.00 0.00 N ATOM 2095 CA VAL A 138 31.866 -36.726 10.263 1.00 0.00 C ATOM 2096 C VAL A 138 32.926 -37.730 10.713 1.00 0.00 C ATOM 2097 O VAL A 138 32.690 -38.566 11.586 1.00 0.00 O ATOM 2098 CB VAL A 138 31.255 -36.013 11.495 1.00 0.00 C ATOM 2099 CG1 VAL A 138 30.548 -34.737 11.073 1.00 0.00 C ATOM 2100 CG2 VAL A 138 30.291 -36.926 12.246 1.00 0.00 C ATOM 0 H VAL A 138 30.304 -38.079 9.918 1.00 0.00 H new ATOM 0 HA VAL A 138 32.340 -35.968 9.640 1.00 0.00 H new ATOM 0 HB VAL A 138 32.072 -35.759 12.170 1.00 0.00 H new ATOM 0 HG11 VAL A 138 30.124 -34.248 11.951 1.00 0.00 H new ATOM 0 HG12 VAL A 138 31.262 -34.067 10.594 1.00 0.00 H new ATOM 0 HG13 VAL A 138 29.750 -34.978 10.371 1.00 0.00 H new ATOM 0 HG21 VAL A 138 29.881 -36.394 13.104 1.00 0.00 H new ATOM 0 HG22 VAL A 138 29.480 -37.224 11.582 1.00 0.00 H new ATOM 0 HG23 VAL A 138 30.823 -37.813 12.589 1.00 0.00 H new ATOM 2110 N LEU A 139 34.091 -37.650 10.092 1.00 0.00 N ATOM 2111 CA LEU A 139 35.208 -38.511 10.443 1.00 0.00 C ATOM 2112 C LEU A 139 36.002 -37.895 11.587 1.00 0.00 C ATOM 2113 O LEU A 139 36.762 -36.946 11.394 1.00 0.00 O ATOM 2114 CB LEU A 139 36.118 -38.771 9.227 1.00 0.00 C ATOM 2115 CG LEU A 139 36.559 -37.534 8.433 1.00 0.00 C ATOM 2116 CD1 LEU A 139 37.854 -37.819 7.698 1.00 0.00 C ATOM 2117 CD2 LEU A 139 35.482 -37.114 7.440 1.00 0.00 C ATOM 0 H LEU A 139 34.288 -36.993 9.337 1.00 0.00 H new ATOM 0 HA LEU A 139 34.809 -39.472 10.767 1.00 0.00 H new ATOM 0 HB2 LEU A 139 37.011 -39.292 9.573 1.00 0.00 H new ATOM 0 HB3 LEU A 139 35.597 -39.446 8.548 1.00 0.00 H new ATOM 0 HG LEU A 139 36.718 -36.717 9.137 1.00 0.00 H new ATOM 0 HD11 LEU A 139 38.157 -36.934 7.138 1.00 0.00 H new ATOM 0 HD12 LEU A 139 38.631 -38.077 8.417 1.00 0.00 H new ATOM 0 HD13 LEU A 139 37.706 -38.651 7.009 1.00 0.00 H new ATOM 0 HD21 LEU A 139 35.818 -36.235 6.889 1.00 0.00 H new ATOM 0 HD22 LEU A 139 35.293 -37.929 6.742 1.00 0.00 H new ATOM 0 HD23 LEU A 139 34.564 -36.876 7.978 1.00 0.00 H new ATOM 2129 N ALA A 140 35.791 -38.414 12.785 1.00 0.00 N ATOM 2130 CA ALA A 140 36.466 -37.900 13.965 1.00 0.00 C ATOM 2131 C ALA A 140 37.779 -38.633 14.193 1.00 0.00 C ATOM 2132 O ALA A 140 37.791 -39.830 14.486 1.00 0.00 O ATOM 2133 CB ALA A 140 35.565 -38.020 15.185 1.00 0.00 C ATOM 0 H ALA A 140 35.157 -39.192 12.966 1.00 0.00 H new ATOM 0 HA ALA A 140 36.689 -36.845 13.804 1.00 0.00 H new ATOM 0 HB1 ALA A 140 36.085 -37.631 16.061 1.00 0.00 H new ATOM 0 HB2 ALA A 140 34.652 -37.448 15.021 1.00 0.00 H new ATOM 0 HB3 ALA A 140 35.312 -39.067 15.349 1.00 0.00 H new ATOM 2139 N GLU A 141 38.880 -37.920 14.022 1.00 0.00 N ATOM 2140 CA GLU A 141 40.200 -38.484 14.252 1.00 0.00 C ATOM 2141 C GLU A 141 40.515 -38.488 15.742 1.00 0.00 C ATOM 2142 O GLU A 141 40.594 -37.425 16.362 1.00 0.00 O ATOM 2143 CB GLU A 141 41.256 -37.686 13.483 1.00 0.00 C ATOM 2144 CG GLU A 141 41.089 -37.754 11.971 1.00 0.00 C ATOM 2145 CD GLU A 141 41.459 -39.108 11.404 1.00 0.00 C ATOM 2146 OE1 GLU A 141 40.664 -40.059 11.544 1.00 0.00 O ATOM 2147 OE2 GLU A 141 42.557 -39.229 10.817 1.00 0.00 O ATOM 0 H GLU A 141 38.885 -36.945 13.723 1.00 0.00 H new ATOM 0 HA GLU A 141 40.213 -39.513 13.891 1.00 0.00 H new ATOM 0 HB2 GLU A 141 41.213 -36.644 13.799 1.00 0.00 H new ATOM 0 HB3 GLU A 141 42.245 -38.059 13.748 1.00 0.00 H new ATOM 0 HG2 GLU A 141 40.055 -37.527 11.713 1.00 0.00 H new ATOM 0 HG3 GLU A 141 41.709 -36.988 11.506 1.00 0.00 H new ATOM 2154 N VAL A 142 40.675 -39.697 16.294 1.00 0.00 N ATOM 2155 CA VAL A 142 40.948 -39.923 17.723 1.00 0.00 C ATOM 2156 C VAL A 142 40.158 -38.970 18.631 1.00 0.00 C ATOM 2157 O VAL A 142 38.913 -38.964 18.529 1.00 0.00 O ATOM 2158 CB VAL A 142 42.467 -39.876 18.056 1.00 0.00 C ATOM 2159 CG1 VAL A 142 43.190 -41.027 17.377 1.00 0.00 C ATOM 2160 CG2 VAL A 142 43.112 -38.554 17.659 1.00 0.00 C ATOM 2161 OXT VAL A 142 40.768 -38.262 19.462 1.00 0.00 O ATOM 0 H VAL A 142 40.618 -40.560 15.754 1.00 0.00 H new ATOM 0 HA VAL A 142 40.600 -40.935 17.931 1.00 0.00 H new ATOM 0 HB VAL A 142 42.558 -39.970 19.138 1.00 0.00 H new ATOM 0 HG11 VAL A 142 44.252 -40.982 17.618 1.00 0.00 H new ATOM 0 HG12 VAL A 142 42.778 -41.973 17.728 1.00 0.00 H new ATOM 0 HG13 VAL A 142 43.060 -40.952 16.297 1.00 0.00 H new ATOM 0 HG21 VAL A 142 44.172 -38.575 17.914 1.00 0.00 H new ATOM 0 HG22 VAL A 142 43.000 -38.402 16.585 1.00 0.00 H new ATOM 0 HG23 VAL A 142 42.627 -37.737 18.194 1.00 0.00 H new TER 2171 VAL A 142