USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 654 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 68 ASN : amide:sc= -0.289 X(o=-0.58,f=-0.22) USER MOD Set 1.2: A 70 ASN : amide:sc= -0.289 X(o=-0.58,f=-0.22) USER MOD Set 2.1: A 57 ASN : amide:sc= -0.429 K(o=-0.23,f=-1.1) USER MOD Set 2.2: A 61 SER OG : rot -164:sc= 0.469 USER MOD Set 2.3: A 63 THR OG1 : rot 180:sc= -0.272 USER MOD Set 3.1: A 53 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 67 TYR OH : rot 180:sc= -0.513 USER MOD Single : A 4 GLN : amide:sc= -0.0503 X(o=-0.05,f=0) USER MOD Single : A 10 SER OG : rot 180:sc=0.000884 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 15 SER OG : rot 180:sc= -1.1 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 134:sc= -4.35! (180deg=-9!) USER MOD Single : A 25 GLN : amide:sc= -0.816 K(o=-0.82,f=-8.4!) USER MOD Single : A 36 SER OG : rot 20:sc= 0.0366 USER MOD Single : A 39 SER OG : rot 180:sc= -1.69 USER MOD Single : A 44 LYS NZ :NH3+ 161:sc= -0.0499 (180deg=-0.315) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.607 X(o=-0.61,f=-0.76) USER MOD Single : A 49 GLN : amide:sc= -0.0657 X(o=-0.066,f=-0.0022) USER MOD Single : A 50 GLN : amide:sc= -0.627 K(o=-0.63,f=0.84) USER MOD Single : A 62 SER OG : rot -138:sc= -2.02! USER MOD Single : A 65 THR OG1 : rot 96:sc= 1.22 USER MOD Single : A 77 TYR OH : rot 180:sc= -1.47 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 75:sc= 0.865 USER MOD Single : A 88 GLN : amide:sc= -0.796 K(o=-0.8,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.573 K(o=-0.57,f=-2.4) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N LEU A 3 -16.547 3.248 3.694 1.00 0.00 N ATOM 44 CA LEU A 3 -15.257 3.220 2.990 1.00 0.00 C ATOM 45 C LEU A 3 -14.151 3.888 3.819 1.00 0.00 C ATOM 46 O LEU A 3 -13.971 5.107 3.753 1.00 0.00 O ATOM 47 CB LEU A 3 -15.374 3.904 1.613 1.00 0.00 C ATOM 48 CG LEU A 3 -14.579 3.238 0.490 1.00 0.00 C ATOM 49 CD1 LEU A 3 -15.183 1.888 0.132 1.00 0.00 C ATOM 50 CD2 LEU A 3 -14.534 4.139 -0.732 1.00 0.00 C ATOM 0 HA LEU A 3 -14.986 2.175 2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -16.425 3.932 1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -15.042 4.938 1.709 1.00 0.00 H new ATOM 0 HG LEU A 3 -13.560 3.075 0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -14.602 1.431 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -15.168 1.239 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -16.212 2.026 -0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -13.965 3.651 -1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -15.549 4.330 -1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -14.056 5.083 -0.471 1.00 0.00 H new ATOM 62 N GLN A 4 -13.409 3.080 4.588 1.00 0.00 N ATOM 63 CA GLN A 4 -12.311 3.582 5.425 1.00 0.00 C ATOM 64 C GLN A 4 -10.987 2.910 5.044 1.00 0.00 C ATOM 65 O GLN A 4 -10.959 1.712 4.756 1.00 0.00 O ATOM 66 CB GLN A 4 -12.621 3.335 6.907 1.00 0.00 C ATOM 67 CG GLN A 4 -11.943 4.324 7.856 1.00 0.00 C ATOM 68 CD GLN A 4 -12.920 5.296 8.508 1.00 0.00 C ATOM 69 OE1 GLN A 4 -12.889 5.501 9.722 1.00 0.00 O ATOM 70 NE2 GLN A 4 -13.792 5.902 7.703 1.00 0.00 N ATOM 0 H GLN A 4 -13.550 2.072 4.648 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.213 4.654 5.257 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -13.700 3.386 7.056 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.310 2.324 7.169 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.418 3.770 8.634 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -11.191 4.889 7.305 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -13.785 5.705 6.702 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -14.467 6.563 8.087 1.00 0.00 H new ATOM 79 N VAL A 5 -9.896 3.690 5.039 1.00 0.00 N ATOM 80 CA VAL A 5 -8.568 3.168 4.688 1.00 0.00 C ATOM 81 C VAL A 5 -7.466 3.925 5.436 1.00 0.00 C ATOM 82 O VAL A 5 -7.512 5.153 5.530 1.00 0.00 O ATOM 83 CB VAL A 5 -8.279 3.274 3.164 1.00 0.00 C ATOM 84 CG1 VAL A 5 -7.055 2.448 2.789 1.00 0.00 C ATOM 85 CG2 VAL A 5 -9.476 2.839 2.326 1.00 0.00 C ATOM 0 H VAL A 5 -9.907 4.683 5.274 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.570 2.117 4.978 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.082 4.324 2.948 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.871 2.536 1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.187 2.814 3.338 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.230 1.402 3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.231 2.929 1.268 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -9.723 1.802 2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.331 3.475 2.556 1.00 0.00 H new ATOM 95 N ASP A 6 -6.470 3.185 5.942 1.00 0.00 N ATOM 96 CA ASP A 6 -5.342 3.789 6.657 1.00 0.00 C ATOM 97 C ASP A 6 -4.147 2.839 6.671 1.00 0.00 C ATOM 98 O ASP A 6 -4.265 1.702 7.122 1.00 0.00 O ATOM 99 CB ASP A 6 -5.728 4.146 8.093 1.00 0.00 C ATOM 100 CG ASP A 6 -6.592 5.391 8.174 1.00 0.00 C ATOM 101 OD1 ASP A 6 -6.292 6.370 7.457 1.00 0.00 O ATOM 102 OD2 ASP A 6 -7.566 5.389 8.955 1.00 0.00 O ATOM 0 H ASP A 6 -6.424 2.169 5.869 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.069 4.704 6.131 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.262 3.308 8.540 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.823 4.298 8.681 1.00 0.00 H new ATOM 107 N ILE A 7 -3.004 3.310 6.170 1.00 0.00 N ATOM 108 CA ILE A 7 -1.785 2.495 6.112 1.00 0.00 C ATOM 109 C ILE A 7 -0.955 2.656 7.388 1.00 0.00 C ATOM 110 O ILE A 7 -0.828 3.761 7.921 1.00 0.00 O ATOM 111 CB ILE A 7 -0.918 2.848 4.871 1.00 0.00 C ATOM 112 CG1 ILE A 7 -1.777 2.825 3.600 1.00 0.00 C ATOM 113 CG2 ILE A 7 0.260 1.882 4.724 1.00 0.00 C ATOM 114 CD1 ILE A 7 -1.071 3.365 2.375 1.00 0.00 C ATOM 0 H ILE A 7 -2.895 4.253 5.797 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.100 1.455 6.024 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.518 3.852 5.016 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.092 1.800 3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.681 3.408 3.773 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.847 2.155 3.847 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.888 1.937 5.613 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.116 0.865 4.607 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.742 3.316 1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.780 4.401 2.550 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.182 2.767 2.175 1.00 0.00 H new ATOM 126 N VAL A 8 -0.385 1.541 7.863 1.00 0.00 N ATOM 127 CA VAL A 8 0.444 1.536 9.069 1.00 0.00 C ATOM 128 C VAL A 8 1.798 0.855 8.772 1.00 0.00 C ATOM 129 O VAL A 8 1.819 -0.208 8.146 1.00 0.00 O ATOM 130 CB VAL A 8 -0.265 0.798 10.238 1.00 0.00 C ATOM 131 CG1 VAL A 8 0.551 0.880 11.524 1.00 0.00 C ATOM 132 CG2 VAL A 8 -1.663 1.361 10.465 1.00 0.00 C ATOM 0 H VAL A 8 -0.486 0.626 7.424 1.00 0.00 H new ATOM 0 HA VAL A 8 0.610 2.571 9.368 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.352 -0.252 9.958 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.027 0.354 12.322 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.527 0.420 11.366 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.684 1.925 11.805 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.140 0.829 11.288 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.593 2.421 10.710 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.257 1.236 9.560 1.00 0.00 H new ATOM 142 N PRO A 9 2.956 1.435 9.204 1.00 0.00 N ATOM 143 CA PRO A 9 3.037 2.704 9.960 1.00 0.00 C ATOM 144 C PRO A 9 2.829 3.925 9.062 1.00 0.00 C ATOM 145 O PRO A 9 2.745 3.792 7.838 1.00 0.00 O ATOM 146 CB PRO A 9 4.462 2.678 10.514 1.00 0.00 C ATOM 147 CG PRO A 9 5.235 1.923 9.490 1.00 0.00 C ATOM 148 CD PRO A 9 4.300 0.864 8.971 1.00 0.00 C ATOM 0 HA PRO A 9 2.265 2.784 10.726 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.856 3.685 10.648 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.503 2.187 11.486 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.566 2.581 8.686 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.129 1.476 9.925 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.471 0.663 7.914 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.431 -0.080 9.501 1.00 0.00 H new ATOM 156 N SER A 10 2.757 5.114 9.674 1.00 0.00 N ATOM 157 CA SER A 10 2.569 6.361 8.925 1.00 0.00 C ATOM 158 C SER A 10 3.823 6.679 8.112 1.00 0.00 C ATOM 159 O SER A 10 3.744 6.951 6.912 1.00 0.00 O ATOM 160 CB SER A 10 2.247 7.523 9.870 1.00 0.00 C ATOM 161 OG SER A 10 3.124 7.536 10.983 1.00 0.00 O ATOM 0 H SER A 10 2.826 5.238 10.684 1.00 0.00 H new ATOM 0 HA SER A 10 1.727 6.228 8.246 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.326 8.467 9.330 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.217 7.439 10.216 1.00 0.00 H new ATOM 0 HG SER A 10 2.898 8.288 11.569 1.00 0.00 H new ATOM 167 N GLN A 11 4.982 6.618 8.775 1.00 0.00 N ATOM 168 CA GLN A 11 6.271 6.870 8.131 1.00 0.00 C ATOM 169 C GLN A 11 7.220 5.712 8.433 1.00 0.00 C ATOM 170 O GLN A 11 7.573 5.483 9.593 1.00 0.00 O ATOM 171 CB GLN A 11 6.866 8.197 8.616 1.00 0.00 C ATOM 172 CG GLN A 11 7.056 8.274 10.123 1.00 0.00 C ATOM 173 CD GLN A 11 7.029 9.702 10.644 1.00 0.00 C ATOM 174 OE1 GLN A 11 6.086 10.449 10.381 1.00 0.00 O ATOM 175 NE2 GLN A 11 8.064 10.092 11.386 1.00 0.00 N ATOM 0 H GLN A 11 5.051 6.394 9.768 1.00 0.00 H new ATOM 0 HA GLN A 11 6.126 6.943 7.053 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.829 8.351 8.130 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.216 9.012 8.300 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.272 7.697 10.614 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.007 7.812 10.390 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.826 9.442 11.581 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.095 11.041 11.759 1.00 0.00 H new ATOM 184 N GLY A 12 7.598 4.958 7.388 1.00 0.00 N ATOM 185 CA GLY A 12 8.468 3.798 7.570 1.00 0.00 C ATOM 186 C GLY A 12 9.867 3.967 7.006 1.00 0.00 C ATOM 187 O GLY A 12 10.105 3.659 5.836 1.00 0.00 O ATOM 0 H GLY A 12 7.316 5.132 6.423 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.543 3.579 8.635 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.002 2.932 7.099 1.00 0.00 H new ATOM 191 N GLU A 13 10.802 4.414 7.853 1.00 0.00 N ATOM 192 CA GLU A 13 12.194 4.578 7.445 1.00 0.00 C ATOM 193 C GLU A 13 12.883 3.216 7.478 1.00 0.00 C ATOM 194 O GLU A 13 12.718 2.465 8.441 1.00 0.00 O ATOM 195 CB GLU A 13 12.909 5.562 8.371 1.00 0.00 C ATOM 196 CG GLU A 13 12.645 7.018 8.027 1.00 0.00 C ATOM 197 CD GLU A 13 13.042 7.963 9.143 1.00 0.00 C ATOM 198 OE1 GLU A 13 14.222 8.373 9.184 1.00 0.00 O ATOM 199 OE2 GLU A 13 12.173 8.294 9.978 1.00 0.00 O ATOM 0 H GLU A 13 10.616 4.667 8.823 1.00 0.00 H new ATOM 0 HA GLU A 13 12.233 4.981 6.433 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.594 5.377 9.398 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.982 5.375 8.328 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.195 7.279 7.123 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.586 7.149 7.805 1.00 0.00 H new ATOM 206 N ILE A 14 13.622 2.882 6.412 1.00 0.00 N ATOM 207 CA ILE A 14 14.292 1.582 6.315 1.00 0.00 C ATOM 208 C ILE A 14 15.665 1.707 5.622 1.00 0.00 C ATOM 209 O ILE A 14 15.963 2.714 4.977 1.00 0.00 O ATOM 210 CB ILE A 14 13.331 0.579 5.577 1.00 0.00 C ATOM 211 CG1 ILE A 14 12.193 0.152 6.538 1.00 0.00 C ATOM 212 CG2 ILE A 14 14.041 -0.660 5.018 1.00 0.00 C ATOM 213 CD1 ILE A 14 10.869 0.845 6.276 1.00 0.00 C ATOM 0 H ILE A 14 13.770 3.493 5.608 1.00 0.00 H new ATOM 0 HA ILE A 14 14.501 1.195 7.313 1.00 0.00 H new ATOM 0 HB ILE A 14 12.927 1.109 4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 14 12.049 -0.925 6.458 1.00 0.00 H new ATOM 0 HG13 ILE A 14 12.502 0.357 7.563 1.00 0.00 H new ATOM 0 HG21 ILE A 14 13.314 -1.304 4.524 1.00 0.00 H new ATOM 0 HG22 ILE A 14 14.800 -0.351 4.299 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.515 -1.207 5.833 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.126 0.491 6.990 1.00 0.00 H new ATOM 0 HD12 ILE A 14 10.994 1.922 6.386 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.535 0.620 5.263 1.00 0.00 H new ATOM 225 N SER A 15 16.496 0.666 5.772 1.00 0.00 N ATOM 226 CA SER A 15 17.827 0.639 5.168 1.00 0.00 C ATOM 227 C SER A 15 17.820 -0.203 3.890 1.00 0.00 C ATOM 228 O SER A 15 17.059 -1.175 3.767 1.00 0.00 O ATOM 229 CB SER A 15 18.862 0.083 6.151 1.00 0.00 C ATOM 230 OG SER A 15 18.276 -0.843 7.048 1.00 0.00 O ATOM 0 H SER A 15 16.265 -0.169 6.309 1.00 0.00 H new ATOM 0 HA SER A 15 18.101 1.663 4.916 1.00 0.00 H new ATOM 0 HB2 SER A 15 19.667 -0.402 5.599 1.00 0.00 H new ATOM 0 HB3 SER A 15 19.310 0.903 6.713 1.00 0.00 H new ATOM 0 HG SER A 15 18.961 -1.182 7.662 1.00 0.00 H new ATOM 236 N VAL A 16 18.700 0.159 2.951 1.00 0.00 N ATOM 237 CA VAL A 16 18.819 -0.567 1.686 1.00 0.00 C ATOM 238 C VAL A 16 19.337 -1.977 1.952 1.00 0.00 C ATOM 239 O VAL A 16 20.258 -2.168 2.752 1.00 0.00 O ATOM 240 CB VAL A 16 19.747 0.159 0.675 1.00 0.00 C ATOM 241 CG1 VAL A 16 19.728 -0.539 -0.681 1.00 0.00 C ATOM 242 CG2 VAL A 16 19.344 1.622 0.512 1.00 0.00 C ATOM 0 H VAL A 16 19.338 0.949 3.044 1.00 0.00 H new ATOM 0 HA VAL A 16 17.827 -0.613 1.237 1.00 0.00 H new ATOM 0 HB VAL A 16 20.760 0.120 1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.386 -0.011 -1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 16 20.072 -1.567 -0.566 1.00 0.00 H new ATOM 0 HG13 VAL A 16 18.712 -0.539 -1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.011 2.106 -0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.319 1.678 0.146 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.414 2.128 1.475 1.00 0.00 H new ATOM 252 N GLY A 17 18.710 -2.956 1.301 1.00 0.00 N ATOM 253 CA GLY A 17 19.079 -4.345 1.499 1.00 0.00 C ATOM 254 C GLY A 17 18.130 -5.064 2.448 1.00 0.00 C ATOM 255 O GLY A 17 18.128 -6.297 2.490 1.00 0.00 O ATOM 0 H GLY A 17 17.950 -2.808 0.637 1.00 0.00 H new ATOM 0 HA2 GLY A 17 19.085 -4.858 0.537 1.00 0.00 H new ATOM 0 HA3 GLY A 17 20.093 -4.397 1.895 1.00 0.00 H new ATOM 259 N GLU A 18 17.303 -4.306 3.207 1.00 0.00 N ATOM 260 CA GLU A 18 16.344 -4.917 4.135 1.00 0.00 C ATOM 261 C GLU A 18 14.911 -4.621 3.682 1.00 0.00 C ATOM 262 O GLU A 18 14.652 -3.581 3.070 1.00 0.00 O ATOM 263 CB GLU A 18 16.618 -4.468 5.577 1.00 0.00 C ATOM 264 CG GLU A 18 16.361 -3.000 5.846 1.00 0.00 C ATOM 265 CD GLU A 18 15.888 -2.745 7.270 1.00 0.00 C ATOM 266 OE1 GLU A 18 16.745 -2.554 8.157 1.00 0.00 O ATOM 267 OE2 GLU A 18 14.659 -2.747 7.497 1.00 0.00 O ATOM 0 H GLU A 18 17.286 -3.286 3.190 1.00 0.00 H new ATOM 0 HA GLU A 18 16.468 -6.000 4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.998 -5.060 6.251 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.657 -4.691 5.821 1.00 0.00 H new ATOM 0 HG2 GLU A 18 17.275 -2.435 5.663 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.612 -2.631 5.146 1.00 0.00 H new ATOM 274 N SER A 19 14.003 -5.572 3.927 1.00 0.00 N ATOM 275 CA SER A 19 12.611 -5.449 3.481 1.00 0.00 C ATOM 276 C SER A 19 11.744 -4.553 4.370 1.00 0.00 C ATOM 277 O SER A 19 12.145 -4.161 5.466 1.00 0.00 O ATOM 278 CB SER A 19 11.980 -6.832 3.362 1.00 0.00 C ATOM 279 OG SER A 19 11.727 -7.396 4.636 1.00 0.00 O ATOM 0 H SER A 19 14.207 -6.435 4.431 1.00 0.00 H new ATOM 0 HA SER A 19 12.648 -4.959 2.508 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.047 -6.761 2.802 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.642 -7.488 2.797 1.00 0.00 H new ATOM 0 HG SER A 19 11.321 -8.281 4.527 1.00 0.00 H new ATOM 285 N LYS A 20 10.542 -4.230 3.860 1.00 0.00 N ATOM 286 CA LYS A 20 9.583 -3.372 4.568 1.00 0.00 C ATOM 287 C LYS A 20 8.165 -3.583 4.031 1.00 0.00 C ATOM 288 O LYS A 20 7.912 -3.363 2.843 1.00 0.00 O ATOM 289 CB LYS A 20 9.953 -1.877 4.420 1.00 0.00 C ATOM 290 CG LYS A 20 10.510 -1.499 3.044 1.00 0.00 C ATOM 291 CD LYS A 20 9.890 -0.213 2.484 1.00 0.00 C ATOM 292 CE LYS A 20 10.904 0.665 1.758 1.00 0.00 C ATOM 293 NZ LYS A 20 10.395 1.154 0.435 1.00 0.00 N ATOM 0 H LYS A 20 10.212 -4.555 2.951 1.00 0.00 H new ATOM 0 HA LYS A 20 9.622 -3.649 5.621 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.067 -1.274 4.619 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.690 -1.620 5.181 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.590 -1.374 3.116 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.330 -2.317 2.347 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.084 -0.473 1.798 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.443 0.355 3.300 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.155 1.520 2.386 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.824 0.101 1.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.594 2.171 0.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.869 0.636 -0.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.369 0.995 0.378 1.00 0.00 H new ATOM 307 N PHE A 21 7.234 -3.983 4.911 1.00 0.00 N ATOM 308 CA PHE A 21 5.831 -4.186 4.519 1.00 0.00 C ATOM 309 C PHE A 21 4.918 -3.193 5.228 1.00 0.00 C ATOM 310 O PHE A 21 5.136 -2.864 6.397 1.00 0.00 O ATOM 311 CB PHE A 21 5.351 -5.623 4.770 1.00 0.00 C ATOM 312 CG PHE A 21 5.366 -6.075 6.202 1.00 0.00 C ATOM 313 CD1 PHE A 21 4.295 -5.814 7.049 1.00 0.00 C ATOM 314 CD2 PHE A 21 6.449 -6.780 6.691 1.00 0.00 C ATOM 315 CE1 PHE A 21 4.315 -6.249 8.361 1.00 0.00 C ATOM 316 CE2 PHE A 21 6.476 -7.216 8.002 1.00 0.00 C ATOM 317 CZ PHE A 21 5.407 -6.950 8.839 1.00 0.00 C ATOM 0 H PHE A 21 7.426 -4.172 5.895 1.00 0.00 H new ATOM 0 HA PHE A 21 5.780 -4.011 3.444 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.334 -5.718 4.389 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.975 -6.301 4.188 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.440 -5.267 6.679 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.285 -6.993 6.041 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.479 -6.042 9.012 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.330 -7.763 8.373 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.425 -7.289 9.864 1.00 0.00 H new ATOM 327 N PHE A 22 3.899 -2.711 4.506 1.00 0.00 N ATOM 328 CA PHE A 22 2.945 -1.736 5.057 1.00 0.00 C ATOM 329 C PHE A 22 1.538 -2.313 5.092 1.00 0.00 C ATOM 330 O PHE A 22 0.968 -2.659 4.058 1.00 0.00 O ATOM 331 CB PHE A 22 3.003 -0.441 4.253 1.00 0.00 C ATOM 332 CG PHE A 22 4.373 0.157 4.304 1.00 0.00 C ATOM 333 CD1 PHE A 22 5.356 -0.279 3.437 1.00 0.00 C ATOM 334 CD2 PHE A 22 4.691 1.111 5.255 1.00 0.00 C ATOM 335 CE1 PHE A 22 6.633 0.230 3.508 1.00 0.00 C ATOM 336 CE2 PHE A 22 5.972 1.621 5.339 1.00 0.00 C ATOM 337 CZ PHE A 22 6.947 1.178 4.461 1.00 0.00 C ATOM 0 H PHE A 22 3.713 -2.979 3.540 1.00 0.00 H new ATOM 0 HA PHE A 22 3.224 -1.510 6.086 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.726 -0.638 3.217 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.277 0.270 4.647 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.120 -1.028 2.695 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.930 1.460 5.938 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.390 -0.113 2.818 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.212 2.362 6.087 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.950 1.573 4.522 1.00 0.00 H new ATOM 347 N LEU A 23 1.000 -2.445 6.305 1.00 0.00 N ATOM 348 CA LEU A 23 -0.322 -3.026 6.502 1.00 0.00 C ATOM 349 C LEU A 23 -1.451 -2.023 6.283 1.00 0.00 C ATOM 350 O LEU A 23 -1.657 -1.126 7.099 1.00 0.00 O ATOM 351 CB LEU A 23 -0.413 -3.608 7.912 1.00 0.00 C ATOM 352 CG LEU A 23 -1.589 -4.544 8.146 1.00 0.00 C ATOM 353 CD1 LEU A 23 -1.508 -5.737 7.204 1.00 0.00 C ATOM 354 CD2 LEU A 23 -1.618 -5.002 9.596 1.00 0.00 C ATOM 0 H LEU A 23 1.464 -2.155 7.166 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.447 -3.809 5.755 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.510 -4.147 8.127 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.475 -2.786 8.625 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.514 -4.006 7.939 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.355 -6.399 7.382 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.531 -5.388 6.172 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.580 -6.280 7.383 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.465 -5.671 9.749 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.693 -5.528 9.830 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.718 -4.135 10.249 1.00 0.00 H new ATOM 366 N CYS A 24 -2.203 -2.205 5.188 1.00 0.00 N ATOM 367 CA CYS A 24 -3.333 -1.328 4.876 1.00 0.00 C ATOM 368 C CYS A 24 -4.621 -1.866 5.484 1.00 0.00 C ATOM 369 O CYS A 24 -5.178 -2.857 4.998 1.00 0.00 O ATOM 370 CB CYS A 24 -3.516 -1.167 3.365 1.00 0.00 C ATOM 371 SG CYS A 24 -4.556 0.254 2.898 1.00 0.00 S ATOM 0 H CYS A 24 -2.048 -2.949 4.508 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.110 -0.352 5.308 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.537 -1.057 2.899 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.960 -2.078 2.963 1.00 0.00 H new ATOM 376 N GLN A 25 -5.097 -1.196 6.536 1.00 0.00 N ATOM 377 CA GLN A 25 -6.332 -1.583 7.206 1.00 0.00 C ATOM 378 C GLN A 25 -7.498 -0.825 6.589 1.00 0.00 C ATOM 379 O GLN A 25 -7.291 0.172 5.887 1.00 0.00 O ATOM 380 CB GLN A 25 -6.251 -1.293 8.708 1.00 0.00 C ATOM 381 CG GLN A 25 -5.267 -2.189 9.457 1.00 0.00 C ATOM 382 CD GLN A 25 -3.930 -1.516 9.721 1.00 0.00 C ATOM 383 OE1 GLN A 25 -3.444 -0.737 8.901 1.00 0.00 O ATOM 384 NE2 GLN A 25 -3.325 -1.812 10.871 1.00 0.00 N ATOM 0 H GLN A 25 -4.640 -0.379 6.941 1.00 0.00 H new ATOM 0 HA GLN A 25 -6.483 -2.655 7.076 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.962 -0.252 8.852 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.242 -1.412 9.146 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.709 -2.490 10.407 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.101 -3.099 8.880 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.761 -2.463 11.524 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.426 -1.388 11.098 1.00 0.00 H new ATOM 393 N VAL A 26 -8.719 -1.303 6.835 1.00 0.00 N ATOM 394 CA VAL A 26 -9.906 -0.670 6.276 1.00 0.00 C ATOM 395 C VAL A 26 -11.111 -0.789 7.207 1.00 0.00 C ATOM 396 O VAL A 26 -11.034 -1.427 8.259 1.00 0.00 O ATOM 397 CB VAL A 26 -10.253 -1.290 4.903 1.00 0.00 C ATOM 398 CG1 VAL A 26 -9.174 -0.949 3.881 1.00 0.00 C ATOM 399 CG2 VAL A 26 -10.444 -2.810 5.012 1.00 0.00 C ATOM 0 H VAL A 26 -8.907 -2.121 7.414 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.676 0.388 6.154 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.197 -0.863 4.565 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.431 -1.392 2.919 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.103 0.133 3.775 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.216 -1.344 4.218 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.687 -3.217 4.031 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.524 -3.267 5.377 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.256 -3.026 5.706 1.00 0.00 H new ATOM 409 N ALA A 27 -12.223 -0.173 6.799 1.00 0.00 N ATOM 410 CA ALA A 27 -13.458 -0.206 7.578 1.00 0.00 C ATOM 411 C ALA A 27 -14.639 0.267 6.730 1.00 0.00 C ATOM 412 O ALA A 27 -14.742 1.455 6.412 1.00 0.00 O ATOM 413 CB ALA A 27 -13.315 0.642 8.839 1.00 0.00 C ATOM 0 H ALA A 27 -12.291 0.356 5.930 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.651 -1.235 7.882 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -14.244 0.607 9.408 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.500 0.252 9.449 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.099 1.674 8.561 1.00 0.00 H new ATOM 504 N ASP A 34 -12.307 -2.880 -3.451 1.00 0.00 N ATOM 505 CA ASP A 34 -11.117 -3.343 -4.167 1.00 0.00 C ATOM 506 C ASP A 34 -9.872 -2.557 -3.764 1.00 0.00 C ATOM 507 O ASP A 34 -9.754 -1.375 -4.094 1.00 0.00 O ATOM 508 CB ASP A 34 -11.340 -3.207 -5.676 1.00 0.00 C ATOM 509 CG ASP A 34 -12.366 -4.194 -6.199 1.00 0.00 C ATOM 510 OD1 ASP A 34 -12.373 -5.350 -5.724 1.00 0.00 O ATOM 511 OD2 ASP A 34 -13.161 -3.812 -7.081 1.00 0.00 O ATOM 0 HA ASP A 34 -10.955 -4.388 -3.903 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.667 -2.192 -5.902 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.394 -3.360 -6.196 1.00 0.00 H new ATOM 516 N ILE A 35 -8.943 -3.230 -3.067 1.00 0.00 N ATOM 517 CA ILE A 35 -7.690 -2.611 -2.626 1.00 0.00 C ATOM 518 C ILE A 35 -6.768 -2.361 -3.833 1.00 0.00 C ATOM 519 O ILE A 35 -6.781 -3.113 -4.809 1.00 0.00 O ATOM 520 CB ILE A 35 -6.980 -3.506 -1.546 1.00 0.00 C ATOM 521 CG1 ILE A 35 -7.739 -3.437 -0.208 1.00 0.00 C ATOM 522 CG2 ILE A 35 -5.490 -3.159 -1.331 1.00 0.00 C ATOM 523 CD1 ILE A 35 -7.607 -2.116 0.532 1.00 0.00 C ATOM 0 H ILE A 35 -9.040 -4.209 -2.797 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.917 -1.650 -2.165 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.004 -4.524 -1.936 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.796 -3.628 -0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.380 -4.237 0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.069 -3.818 -0.572 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.947 -3.290 -2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.401 -2.124 -1.002 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.174 -2.161 1.462 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.557 -1.928 0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.995 -1.310 -0.091 1.00 0.00 H new ATOM 535 N SER A 36 -5.966 -1.299 -3.736 1.00 0.00 N ATOM 536 CA SER A 36 -5.018 -0.924 -4.777 1.00 0.00 C ATOM 537 C SER A 36 -3.766 -0.344 -4.129 1.00 0.00 C ATOM 538 O SER A 36 -3.834 0.147 -3.004 1.00 0.00 O ATOM 539 CB SER A 36 -5.645 0.108 -5.717 1.00 0.00 C ATOM 540 OG SER A 36 -6.498 -0.513 -6.664 1.00 0.00 O ATOM 0 H SER A 36 -5.959 -0.675 -2.929 1.00 0.00 H new ATOM 0 HA SER A 36 -4.753 -1.807 -5.359 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.211 0.836 -5.136 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.859 0.656 -6.236 1.00 0.00 H new ATOM 0 HG SER A 36 -6.763 -1.397 -6.335 1.00 0.00 H new ATOM 546 N TRP A 37 -2.630 -0.397 -4.830 1.00 0.00 N ATOM 547 CA TRP A 37 -1.367 0.134 -4.302 1.00 0.00 C ATOM 548 C TRP A 37 -0.651 0.961 -5.367 1.00 0.00 C ATOM 549 O TRP A 37 -0.360 0.455 -6.452 1.00 0.00 O ATOM 550 CB TRP A 37 -0.466 -1.005 -3.814 1.00 0.00 C ATOM 551 CG TRP A 37 -0.763 -1.420 -2.405 1.00 0.00 C ATOM 552 CD1 TRP A 37 -1.532 -2.475 -2.004 1.00 0.00 C ATOM 553 CD2 TRP A 37 -0.298 -0.784 -1.209 1.00 0.00 C ATOM 554 NE1 TRP A 37 -1.570 -2.536 -0.631 1.00 0.00 N ATOM 555 CE2 TRP A 37 -0.822 -1.508 -0.121 1.00 0.00 C ATOM 556 CE3 TRP A 37 0.511 0.326 -0.951 1.00 0.00 C ATOM 557 CZ2 TRP A 37 -0.560 -1.158 1.203 1.00 0.00 C ATOM 558 CZ3 TRP A 37 0.768 0.676 0.362 1.00 0.00 C ATOM 559 CH2 TRP A 37 0.237 -0.065 1.424 1.00 0.00 C ATOM 0 H TRP A 37 -2.557 -0.801 -5.764 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.593 0.781 -3.454 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.586 -1.864 -4.474 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.576 -0.693 -3.884 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.036 -3.161 -2.668 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.073 -3.233 -0.082 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.929 0.901 -1.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -0.970 -1.727 2.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.388 1.535 0.571 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.460 0.231 2.439 1.00 0.00 H new ATOM 570 N PHE A 38 -0.383 2.242 -5.059 1.00 0.00 N ATOM 571 CA PHE A 38 0.280 3.146 -6.011 1.00 0.00 C ATOM 572 C PHE A 38 1.607 3.687 -5.486 1.00 0.00 C ATOM 573 O PHE A 38 1.635 4.501 -4.562 1.00 0.00 O ATOM 574 CB PHE A 38 -0.648 4.308 -6.370 1.00 0.00 C ATOM 575 CG PHE A 38 -1.936 3.859 -6.994 1.00 0.00 C ATOM 576 CD1 PHE A 38 -3.033 3.565 -6.205 1.00 0.00 C ATOM 577 CD2 PHE A 38 -2.041 3.715 -8.367 1.00 0.00 C ATOM 578 CE1 PHE A 38 -4.217 3.135 -6.776 1.00 0.00 C ATOM 579 CE2 PHE A 38 -3.222 3.289 -8.944 1.00 0.00 C ATOM 580 CZ PHE A 38 -4.311 2.997 -8.146 1.00 0.00 C ATOM 0 H PHE A 38 -0.614 2.671 -4.163 1.00 0.00 H new ATOM 0 HA PHE A 38 0.501 2.558 -6.902 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.868 4.882 -5.470 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.132 4.979 -7.057 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.964 3.672 -5.133 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.190 3.938 -8.994 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.067 2.907 -6.150 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.293 3.185 -10.017 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.235 2.661 -8.594 1.00 0.00 H new ATOM 590 N SER A 39 2.708 3.239 -6.106 1.00 0.00 N ATOM 591 CA SER A 39 4.049 3.675 -5.739 1.00 0.00 C ATOM 592 C SER A 39 4.223 5.183 -5.970 1.00 0.00 C ATOM 593 O SER A 39 3.539 5.749 -6.849 1.00 0.00 O ATOM 594 CB SER A 39 5.115 2.915 -6.537 1.00 0.00 C ATOM 595 OG SER A 39 4.795 1.542 -6.644 1.00 0.00 O ATOM 0 H SER A 39 2.687 2.567 -6.873 1.00 0.00 H new ATOM 0 HA SER A 39 4.177 3.460 -4.678 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.204 3.348 -7.533 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.085 3.028 -6.052 1.00 0.00 H new ATOM 0 HG SER A 39 5.491 1.083 -7.159 1.00 0.00 H new ATOM 601 N PRO A 40 5.146 5.835 -5.178 1.00 0.00 N ATOM 602 CA PRO A 40 5.464 7.283 -5.220 1.00 0.00 C ATOM 603 C PRO A 40 5.454 7.947 -6.603 1.00 0.00 C ATOM 604 O PRO A 40 5.256 9.162 -6.688 1.00 0.00 O ATOM 605 CB PRO A 40 6.883 7.360 -4.598 1.00 0.00 C ATOM 606 CG PRO A 40 7.262 5.954 -4.260 1.00 0.00 C ATOM 607 CD PRO A 40 5.977 5.203 -4.134 1.00 0.00 C ATOM 0 HA PRO A 40 4.687 7.836 -4.691 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.593 7.798 -5.300 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.885 7.989 -3.708 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.892 5.522 -5.037 1.00 0.00 H new ATOM 0 HG3 PRO A 40 7.830 5.915 -3.330 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.110 4.135 -4.310 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.537 5.311 -3.142 1.00 0.00 H new ATOM 651 N LYS A 44 0.316 2.436 -10.217 1.00 0.00 N ATOM 652 CA LYS A 44 -0.004 1.208 -9.489 1.00 0.00 C ATOM 653 C LYS A 44 1.030 0.114 -9.747 1.00 0.00 C ATOM 654 O LYS A 44 1.295 -0.242 -10.898 1.00 0.00 O ATOM 655 CB LYS A 44 -1.414 0.713 -9.837 1.00 0.00 C ATOM 656 CG LYS A 44 -2.196 0.236 -8.620 1.00 0.00 C ATOM 657 CD LYS A 44 -3.652 -0.020 -8.955 1.00 0.00 C ATOM 658 CE LYS A 44 -3.811 -1.296 -9.757 1.00 0.00 C ATOM 659 NZ LYS A 44 -3.483 -2.504 -8.950 1.00 0.00 N ATOM 0 HA LYS A 44 0.024 1.446 -8.426 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.965 1.518 -10.324 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.339 -0.103 -10.556 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.745 -0.678 -8.233 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.130 0.983 -7.829 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.233 -0.090 -8.035 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.051 0.821 -9.521 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.836 -1.370 -10.122 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.163 -1.257 -10.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.898 -3.345 -9.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.450 -2.615 -8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.871 -2.397 -7.991 1.00 0.00 H new ATOM 673 N LEU A 45 1.604 -0.419 -8.662 1.00 0.00 N ATOM 674 CA LEU A 45 2.602 -1.480 -8.762 1.00 0.00 C ATOM 675 C LEU A 45 1.924 -2.850 -8.811 1.00 0.00 C ATOM 676 O LEU A 45 1.035 -3.137 -8.006 1.00 0.00 O ATOM 677 CB LEU A 45 3.588 -1.396 -7.587 1.00 0.00 C ATOM 678 CG LEU A 45 2.979 -1.648 -6.189 1.00 0.00 C ATOM 679 CD1 LEU A 45 3.222 -3.085 -5.740 1.00 0.00 C ATOM 680 CD2 LEU A 45 3.540 -0.673 -5.156 1.00 0.00 C ATOM 0 H LEU A 45 1.392 -0.130 -7.707 1.00 0.00 H new ATOM 0 HA LEU A 45 3.162 -1.348 -9.688 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.386 -2.120 -7.752 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.048 -0.408 -7.591 1.00 0.00 H new ATOM 0 HG LEU A 45 1.904 -1.484 -6.266 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.784 -3.237 -4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.762 -3.771 -6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.294 -3.275 -5.694 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.092 -0.876 -4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.621 -0.795 -5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.308 0.349 -5.456 1.00 0.00 H new ATOM 692 N SER A 46 2.338 -3.683 -9.773 1.00 0.00 N ATOM 693 CA SER A 46 1.761 -5.021 -9.948 1.00 0.00 C ATOM 694 C SER A 46 2.026 -5.919 -8.725 1.00 0.00 C ATOM 695 O SER A 46 2.890 -5.605 -7.904 1.00 0.00 O ATOM 696 CB SER A 46 2.312 -5.677 -11.222 1.00 0.00 C ATOM 697 OG SER A 46 1.532 -5.324 -12.353 1.00 0.00 O ATOM 0 H SER A 46 3.072 -3.453 -10.443 1.00 0.00 H new ATOM 0 HA SER A 46 0.681 -4.906 -10.045 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.345 -5.367 -11.377 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.318 -6.761 -11.104 1.00 0.00 H new ATOM 0 HG SER A 46 1.903 -5.752 -13.153 1.00 0.00 H new ATOM 703 N PRO A 47 1.278 -7.049 -8.578 1.00 0.00 N ATOM 704 CA PRO A 47 1.443 -7.967 -7.440 1.00 0.00 C ATOM 705 C PRO A 47 2.801 -8.673 -7.446 1.00 0.00 C ATOM 706 O PRO A 47 3.582 -8.535 -6.501 1.00 0.00 O ATOM 707 CB PRO A 47 0.297 -8.986 -7.610 1.00 0.00 C ATOM 708 CG PRO A 47 -0.638 -8.369 -8.594 1.00 0.00 C ATOM 709 CD PRO A 47 0.212 -7.519 -9.488 1.00 0.00 C ATOM 0 HA PRO A 47 1.408 -7.434 -6.490 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.673 -9.943 -7.972 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.202 -9.178 -6.660 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -1.164 -9.133 -9.166 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -1.396 -7.770 -8.090 1.00 0.00 H new ATOM 0 HD2 PRO A 47 0.617 -8.090 -10.324 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -0.352 -6.689 -9.913 1.00 0.00 H new ATOM 717 N ASN A 48 3.072 -9.435 -8.513 1.00 0.00 N ATOM 718 CA ASN A 48 4.330 -10.173 -8.647 1.00 0.00 C ATOM 719 C ASN A 48 5.157 -9.627 -9.819 1.00 0.00 C ATOM 720 O ASN A 48 5.435 -10.336 -10.795 1.00 0.00 O ATOM 721 CB ASN A 48 4.046 -11.671 -8.828 1.00 0.00 C ATOM 722 CG ASN A 48 3.140 -11.954 -10.015 1.00 0.00 C ATOM 723 OD1 ASN A 48 3.614 -12.250 -11.111 1.00 0.00 O ATOM 724 ND2 ASN A 48 1.828 -11.863 -9.806 1.00 0.00 N ATOM 0 H ASN A 48 2.432 -9.556 -9.298 1.00 0.00 H new ATOM 0 HA ASN A 48 4.913 -10.039 -7.736 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.988 -12.203 -8.960 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.584 -12.062 -7.921 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.176 -12.042 -10.570 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.475 -11.615 -8.882 1.00 0.00 H new ATOM 731 N GLN A 49 5.554 -8.354 -9.712 1.00 0.00 N ATOM 732 CA GLN A 49 6.357 -7.702 -10.757 1.00 0.00 C ATOM 733 C GLN A 49 7.852 -7.804 -10.447 1.00 0.00 C ATOM 734 O GLN A 49 8.605 -8.404 -11.215 1.00 0.00 O ATOM 735 CB GLN A 49 5.947 -6.221 -10.979 1.00 0.00 C ATOM 736 CG GLN A 49 5.465 -5.463 -9.735 1.00 0.00 C ATOM 737 CD GLN A 49 5.840 -3.989 -9.753 1.00 0.00 C ATOM 738 OE1 GLN A 49 5.589 -3.287 -10.734 1.00 0.00 O ATOM 739 NE2 GLN A 49 6.445 -3.510 -8.667 1.00 0.00 N ATOM 0 H GLN A 49 5.334 -7.755 -8.916 1.00 0.00 H new ATOM 0 HA GLN A 49 6.156 -8.237 -11.685 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.800 -5.687 -11.397 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.155 -6.192 -11.727 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.382 -5.555 -9.657 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.889 -5.929 -8.846 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.635 -4.125 -7.876 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.718 -2.528 -8.627 1.00 0.00 H new ATOM 748 N GLN A 50 8.279 -7.213 -9.324 1.00 0.00 N ATOM 749 CA GLN A 50 9.686 -7.227 -8.916 1.00 0.00 C ATOM 750 C GLN A 50 9.782 -7.461 -7.391 1.00 0.00 C ATOM 751 O GLN A 50 8.875 -8.049 -6.798 1.00 0.00 O ATOM 752 CB GLN A 50 10.371 -5.896 -9.325 1.00 0.00 C ATOM 753 CG GLN A 50 10.011 -5.371 -10.714 1.00 0.00 C ATOM 754 CD GLN A 50 10.812 -6.036 -11.822 1.00 0.00 C ATOM 755 OE1 GLN A 50 10.365 -7.012 -12.424 1.00 0.00 O ATOM 756 NE2 GLN A 50 12.003 -5.511 -12.104 1.00 0.00 N ATOM 0 H GLN A 50 7.664 -6.717 -8.679 1.00 0.00 H new ATOM 0 HA GLN A 50 10.206 -8.041 -9.421 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.113 -5.134 -8.590 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.451 -6.034 -9.276 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.948 -5.532 -10.894 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.180 -4.295 -10.746 1.00 0.00 H new ATOM 0 HE21 GLN A 50 12.340 -4.701 -11.583 1.00 0.00 H new ATOM 0 HE22 GLN A 50 12.578 -5.919 -12.841 1.00 0.00 H new ATOM 765 N ARG A 51 10.876 -7.000 -6.755 1.00 0.00 N ATOM 766 CA ARG A 51 11.091 -7.151 -5.303 1.00 0.00 C ATOM 767 C ARG A 51 9.878 -6.724 -4.455 1.00 0.00 C ATOM 768 O ARG A 51 9.724 -7.183 -3.315 1.00 0.00 O ATOM 769 CB ARG A 51 12.317 -6.337 -4.891 1.00 0.00 C ATOM 770 CG ARG A 51 13.621 -6.843 -5.516 1.00 0.00 C ATOM 771 CD ARG A 51 14.494 -5.712 -6.054 1.00 0.00 C ATOM 772 NE ARG A 51 14.309 -5.524 -7.497 1.00 0.00 N ATOM 773 CZ ARG A 51 15.216 -4.988 -8.326 1.00 0.00 C ATOM 774 NH1 ARG A 51 16.389 -4.537 -7.881 1.00 0.00 N ATOM 775 NH2 ARG A 51 14.938 -4.897 -9.620 1.00 0.00 N ATOM 0 H ARG A 51 11.635 -6.513 -7.232 1.00 0.00 H new ATOM 0 HA ARG A 51 11.243 -8.213 -5.112 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.166 -5.296 -5.177 1.00 0.00 H new ATOM 0 HB3 ARG A 51 12.411 -6.359 -3.805 1.00 0.00 H new ATOM 0 HG2 ARG A 51 14.182 -7.406 -4.770 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.387 -7.533 -6.327 1.00 0.00 H new ATOM 0 HD2 ARG A 51 14.252 -4.786 -5.532 1.00 0.00 H new ATOM 0 HD3 ARG A 51 15.542 -5.931 -5.847 1.00 0.00 H new ATOM 0 HE ARG A 51 13.422 -5.824 -7.901 1.00 0.00 H new ATOM 0 HH11 ARG A 51 16.614 -4.595 -6.888 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.061 -4.134 -8.534 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.042 -5.233 -9.974 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.620 -4.491 -10.261 1.00 0.00 H new ATOM 789 N ILE A 52 9.025 -5.850 -5.010 1.00 0.00 N ATOM 790 CA ILE A 52 7.831 -5.385 -4.303 1.00 0.00 C ATOM 791 C ILE A 52 6.672 -6.366 -4.533 1.00 0.00 C ATOM 792 O ILE A 52 6.083 -6.397 -5.615 1.00 0.00 O ATOM 793 CB ILE A 52 7.418 -3.952 -4.749 1.00 0.00 C ATOM 794 CG1 ILE A 52 8.613 -2.990 -4.610 1.00 0.00 C ATOM 795 CG2 ILE A 52 6.220 -3.456 -3.937 1.00 0.00 C ATOM 796 CD1 ILE A 52 8.316 -1.546 -4.985 1.00 0.00 C ATOM 0 H ILE A 52 9.142 -5.455 -5.943 1.00 0.00 H new ATOM 0 HA ILE A 52 8.067 -5.343 -3.240 1.00 0.00 H new ATOM 0 HB ILE A 52 7.120 -3.984 -5.797 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.966 -3.018 -3.579 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.428 -3.353 -5.236 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.948 -2.453 -4.265 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.375 -4.128 -4.087 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.482 -3.433 -2.879 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.215 -0.944 -4.856 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.994 -1.499 -6.025 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.525 -1.159 -4.343 1.00 0.00 H new ATOM 808 N SER A 53 6.361 -7.167 -3.508 1.00 0.00 N ATOM 809 CA SER A 53 5.284 -8.158 -3.585 1.00 0.00 C ATOM 810 C SER A 53 4.089 -7.744 -2.724 1.00 0.00 C ATOM 811 O SER A 53 4.228 -7.549 -1.517 1.00 0.00 O ATOM 812 CB SER A 53 5.803 -9.524 -3.128 1.00 0.00 C ATOM 813 OG SER A 53 4.818 -10.529 -3.299 1.00 0.00 O ATOM 0 H SER A 53 6.844 -7.147 -2.610 1.00 0.00 H new ATOM 0 HA SER A 53 4.952 -8.220 -4.621 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.696 -9.786 -3.696 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.096 -9.473 -2.079 1.00 0.00 H new ATOM 0 HG SER A 53 5.175 -11.391 -3.001 1.00 0.00 H new ATOM 819 N VAL A 54 2.916 -7.618 -3.355 1.00 0.00 N ATOM 820 CA VAL A 54 1.684 -7.233 -2.653 1.00 0.00 C ATOM 821 C VAL A 54 0.883 -8.481 -2.270 1.00 0.00 C ATOM 822 O VAL A 54 1.042 -9.536 -2.888 1.00 0.00 O ATOM 823 CB VAL A 54 0.788 -6.314 -3.530 1.00 0.00 C ATOM 824 CG1 VAL A 54 -0.387 -5.759 -2.726 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.602 -5.179 -4.143 1.00 0.00 C ATOM 0 H VAL A 54 2.793 -7.778 -4.355 1.00 0.00 H new ATOM 0 HA VAL A 54 1.979 -6.684 -1.758 1.00 0.00 H new ATOM 0 HB VAL A 54 0.386 -6.922 -4.341 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.996 -5.120 -3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.994 -6.584 -2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.010 -5.177 -1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.951 -4.552 -4.751 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.045 -4.579 -3.348 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.393 -5.595 -4.768 1.00 0.00 H new ATOM 835 N VAL A 55 0.007 -8.347 -1.266 1.00 0.00 N ATOM 836 CA VAL A 55 -0.838 -9.460 -0.824 1.00 0.00 C ATOM 837 C VAL A 55 -2.164 -8.946 -0.258 1.00 0.00 C ATOM 838 O VAL A 55 -2.326 -7.751 -0.051 1.00 0.00 O ATOM 839 CB VAL A 55 -0.131 -10.374 0.228 1.00 0.00 C ATOM 840 CG1 VAL A 55 1.243 -10.796 -0.272 1.00 0.00 C ATOM 841 CG2 VAL A 55 -0.029 -9.706 1.609 1.00 0.00 C ATOM 0 H VAL A 55 -0.134 -7.481 -0.747 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.032 -10.068 -1.708 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.750 -11.263 0.352 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.722 -11.432 0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.137 -11.348 -1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.856 -9.911 -0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.470 -10.382 2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.545 -8.783 1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.029 -9.479 1.978 1.00 0.00 H new ATOM 851 N TRP A 56 -3.080 -9.870 0.017 1.00 0.00 N ATOM 852 CA TRP A 56 -4.383 -9.546 0.595 1.00 0.00 C ATOM 853 C TRP A 56 -4.714 -10.611 1.635 1.00 0.00 C ATOM 854 O TRP A 56 -4.744 -11.801 1.312 1.00 0.00 O ATOM 855 CB TRP A 56 -5.453 -9.485 -0.498 1.00 0.00 C ATOM 856 CG TRP A 56 -5.190 -8.399 -1.499 1.00 0.00 C ATOM 857 CD1 TRP A 56 -5.768 -7.161 -1.547 1.00 0.00 C ATOM 858 CD2 TRP A 56 -4.269 -8.452 -2.593 1.00 0.00 C ATOM 859 NE1 TRP A 56 -5.265 -6.447 -2.602 1.00 0.00 N ATOM 860 CE2 TRP A 56 -4.345 -7.215 -3.262 1.00 0.00 C ATOM 861 CE3 TRP A 56 -3.390 -9.425 -3.073 1.00 0.00 C ATOM 862 CZ2 TRP A 56 -3.572 -6.927 -4.384 1.00 0.00 C ATOM 863 CZ3 TRP A 56 -2.622 -9.137 -4.187 1.00 0.00 C ATOM 864 CH2 TRP A 56 -2.719 -7.898 -4.831 1.00 0.00 C ATOM 0 H TRP A 56 -2.941 -10.866 -0.154 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.356 -8.566 1.071 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -5.498 -10.445 -1.012 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.428 -9.323 -0.039 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -6.513 -6.799 -0.854 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.533 -5.496 -2.855 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -3.311 -10.385 -2.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.644 -5.972 -4.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.936 -9.880 -4.566 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.107 -7.705 -5.700 1.00 0.00 H new ATOM 875 N ASN A 57 -4.901 -10.194 2.895 1.00 0.00 N ATOM 876 CA ASN A 57 -5.160 -11.151 3.991 1.00 0.00 C ATOM 877 C ASN A 57 -6.595 -11.071 4.520 1.00 0.00 C ATOM 878 O ASN A 57 -7.437 -11.886 4.135 1.00 0.00 O ATOM 879 CB ASN A 57 -4.127 -10.983 5.137 1.00 0.00 C ATOM 880 CG ASN A 57 -3.629 -9.553 5.334 1.00 0.00 C ATOM 881 OD1 ASN A 57 -4.029 -8.870 6.276 1.00 0.00 O ATOM 882 ND2 ASN A 57 -2.747 -9.098 4.441 1.00 0.00 N ATOM 0 H ASN A 57 -4.879 -9.216 3.183 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.041 -12.149 3.568 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.576 -11.330 6.068 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.272 -11.628 4.936 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.379 -8.151 4.525 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.442 -9.698 3.675 1.00 0.00 H new ATOM 889 N ASP A 58 -6.878 -10.107 5.408 1.00 0.00 N ATOM 890 CA ASP A 58 -8.221 -9.952 5.993 1.00 0.00 C ATOM 891 C ASP A 58 -9.292 -9.783 4.910 1.00 0.00 C ATOM 892 O ASP A 58 -8.987 -9.824 3.716 1.00 0.00 O ATOM 893 CB ASP A 58 -8.257 -8.761 6.956 1.00 0.00 C ATOM 894 CG ASP A 58 -7.279 -8.915 8.106 1.00 0.00 C ATOM 895 OD1 ASP A 58 -7.169 -10.036 8.645 1.00 0.00 O ATOM 896 OD2 ASP A 58 -6.628 -7.914 8.472 1.00 0.00 O ATOM 0 H ASP A 58 -6.197 -9.423 5.738 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.442 -10.864 6.547 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.027 -7.847 6.408 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.266 -8.649 7.353 1.00 0.00 H new ATOM 901 N ASP A 59 -10.551 -9.601 5.333 1.00 0.00 N ATOM 902 CA ASP A 59 -11.677 -9.436 4.398 1.00 0.00 C ATOM 903 C ASP A 59 -11.415 -8.326 3.374 1.00 0.00 C ATOM 904 O ASP A 59 -11.852 -8.421 2.224 1.00 0.00 O ATOM 905 CB ASP A 59 -12.966 -9.132 5.166 1.00 0.00 C ATOM 906 CG ASP A 59 -13.302 -10.206 6.181 1.00 0.00 C ATOM 907 OD1 ASP A 59 -12.751 -10.158 7.301 1.00 0.00 O ATOM 908 OD2 ASP A 59 -14.119 -11.094 5.858 1.00 0.00 O ATOM 0 H ASP A 59 -10.817 -9.564 6.317 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.785 -10.375 3.855 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.864 -8.174 5.675 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.791 -9.032 4.460 1.00 0.00 H new ATOM 913 N ASP A 60 -10.707 -7.275 3.804 1.00 0.00 N ATOM 914 CA ASP A 60 -10.394 -6.142 2.925 1.00 0.00 C ATOM 915 C ASP A 60 -8.974 -5.569 3.129 1.00 0.00 C ATOM 916 O ASP A 60 -8.520 -4.785 2.297 1.00 0.00 O ATOM 917 CB ASP A 60 -11.439 -5.041 3.116 1.00 0.00 C ATOM 918 CG ASP A 60 -12.743 -5.355 2.408 1.00 0.00 C ATOM 919 OD1 ASP A 60 -12.718 -5.545 1.174 1.00 0.00 O ATOM 920 OD2 ASP A 60 -13.789 -5.413 3.088 1.00 0.00 O ATOM 0 H ASP A 60 -10.341 -7.185 4.752 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.421 -6.522 1.904 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.630 -4.905 4.181 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.042 -4.098 2.740 1.00 0.00 H new ATOM 925 N SER A 61 -8.275 -5.944 4.217 1.00 0.00 N ATOM 926 CA SER A 61 -6.922 -5.437 4.474 1.00 0.00 C ATOM 927 C SER A 61 -5.887 -6.138 3.587 1.00 0.00 C ATOM 928 O SER A 61 -6.035 -7.319 3.237 1.00 0.00 O ATOM 929 CB SER A 61 -6.559 -5.585 5.961 1.00 0.00 C ATOM 930 OG SER A 61 -5.968 -6.846 6.246 1.00 0.00 O ATOM 0 H SER A 61 -8.625 -6.591 4.924 1.00 0.00 H new ATOM 0 HA SER A 61 -6.909 -4.376 4.223 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.870 -4.790 6.246 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.457 -5.461 6.567 1.00 0.00 H new ATOM 0 HG SER A 61 -5.985 -7.004 7.213 1.00 0.00 H new ATOM 936 N SER A 62 -4.841 -5.390 3.219 1.00 0.00 N ATOM 937 CA SER A 62 -3.784 -5.904 2.354 1.00 0.00 C ATOM 938 C SER A 62 -2.407 -5.524 2.895 1.00 0.00 C ATOM 939 O SER A 62 -2.305 -5.034 4.019 1.00 0.00 O ATOM 940 CB SER A 62 -4.009 -5.336 0.949 1.00 0.00 C ATOM 941 OG SER A 62 -5.388 -5.375 0.605 1.00 0.00 O ATOM 0 H SER A 62 -4.708 -4.422 3.511 1.00 0.00 H new ATOM 0 HA SER A 62 -3.818 -6.993 2.321 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.647 -4.309 0.905 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.432 -5.909 0.223 1.00 0.00 H new ATOM 0 HG SER A 62 -5.485 -5.662 -0.327 1.00 0.00 H new ATOM 947 N THR A 63 -1.351 -5.752 2.103 1.00 0.00 N ATOM 948 CA THR A 63 0.011 -5.421 2.532 1.00 0.00 C ATOM 949 C THR A 63 0.933 -5.160 1.342 1.00 0.00 C ATOM 950 O THR A 63 0.894 -5.879 0.342 1.00 0.00 O ATOM 951 CB THR A 63 0.599 -6.538 3.395 1.00 0.00 C ATOM 952 OG1 THR A 63 -0.390 -7.094 4.244 1.00 0.00 O ATOM 953 CG2 THR A 63 1.743 -6.069 4.267 1.00 0.00 C ATOM 0 H THR A 63 -1.414 -6.161 1.171 1.00 0.00 H new ATOM 0 HA THR A 63 -0.057 -4.507 3.122 1.00 0.00 H new ATOM 0 HB THR A 63 0.974 -7.283 2.693 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.007 -7.807 4.786 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.118 -6.906 4.856 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.544 -5.680 3.638 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.392 -5.283 4.936 1.00 0.00 H new ATOM 961 N LEU A 64 1.775 -4.129 1.473 1.00 0.00 N ATOM 962 CA LEU A 64 2.732 -3.751 0.437 1.00 0.00 C ATOM 963 C LEU A 64 4.141 -4.113 0.884 1.00 0.00 C ATOM 964 O LEU A 64 4.786 -3.337 1.596 1.00 0.00 O ATOM 965 CB LEU A 64 2.650 -2.233 0.189 1.00 0.00 C ATOM 966 CG LEU A 64 3.255 -1.646 -1.123 1.00 0.00 C ATOM 967 CD1 LEU A 64 4.232 -0.512 -0.805 1.00 0.00 C ATOM 968 CD2 LEU A 64 3.929 -2.697 -2.011 1.00 0.00 C ATOM 0 H LEU A 64 1.809 -3.535 2.302 1.00 0.00 H new ATOM 0 HA LEU A 64 2.495 -4.285 -0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.598 -1.951 0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.138 -1.736 1.027 1.00 0.00 H new ATOM 0 HG LEU A 64 2.414 -1.255 -1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.644 -0.115 -1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.708 0.281 -0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.042 -0.893 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.327 -2.217 -2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.742 -3.170 -1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.198 -3.452 -2.299 1.00 0.00 H new ATOM 980 N THR A 65 4.610 -5.293 0.475 1.00 0.00 N ATOM 981 CA THR A 65 5.946 -5.759 0.847 1.00 0.00 C ATOM 982 C THR A 65 6.981 -5.299 -0.181 1.00 0.00 C ATOM 983 O THR A 65 6.722 -5.314 -1.382 1.00 0.00 O ATOM 984 CB THR A 65 5.979 -7.301 1.012 1.00 0.00 C ATOM 985 OG1 THR A 65 4.672 -7.851 0.976 1.00 0.00 O ATOM 986 CG2 THR A 65 6.611 -7.752 2.313 1.00 0.00 C ATOM 0 H THR A 65 4.086 -5.942 -0.112 1.00 0.00 H new ATOM 0 HA THR A 65 6.199 -5.318 1.811 1.00 0.00 H new ATOM 0 HB THR A 65 6.583 -7.656 0.177 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.470 -8.155 0.066 1.00 0.00 H new ATOM 0 HG21 THR A 65 6.602 -8.841 2.364 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.640 -7.395 2.361 1.00 0.00 H new ATOM 0 HG23 THR A 65 6.047 -7.345 3.152 1.00 0.00 H new ATOM 994 N ILE A 66 8.152 -4.895 0.312 1.00 0.00 N ATOM 995 CA ILE A 66 9.254 -4.433 -0.532 1.00 0.00 C ATOM 996 C ILE A 66 10.543 -5.059 -0.001 1.00 0.00 C ATOM 997 O ILE A 66 11.162 -4.524 0.911 1.00 0.00 O ATOM 998 CB ILE A 66 9.356 -2.880 -0.542 1.00 0.00 C ATOM 999 CG1 ILE A 66 7.999 -2.270 -0.929 1.00 0.00 C ATOM 1000 CG2 ILE A 66 10.456 -2.399 -1.493 1.00 0.00 C ATOM 1001 CD1 ILE A 66 7.878 -0.792 -0.636 1.00 0.00 C ATOM 0 H ILE A 66 8.363 -4.879 1.310 1.00 0.00 H new ATOM 0 HA ILE A 66 9.079 -4.739 -1.563 1.00 0.00 H new ATOM 0 HB ILE A 66 9.622 -2.548 0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.830 -2.433 -1.993 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.210 -2.800 -0.396 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.501 -1.310 -1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.416 -2.807 -1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.235 -2.738 -2.505 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.892 -0.441 -0.939 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.012 -0.621 0.432 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.643 -0.247 -1.190 1.00 0.00 H new ATOM 1013 N TYR A 67 10.888 -6.235 -0.541 1.00 0.00 N ATOM 1014 CA TYR A 67 12.057 -7.006 -0.083 1.00 0.00 C ATOM 1015 C TYR A 67 13.386 -6.236 -0.135 1.00 0.00 C ATOM 1016 O TYR A 67 13.971 -5.929 0.905 1.00 0.00 O ATOM 1017 CB TYR A 67 12.169 -8.322 -0.879 1.00 0.00 C ATOM 1018 CG TYR A 67 10.870 -9.116 -0.959 1.00 0.00 C ATOM 1019 CD1 TYR A 67 10.043 -9.269 0.152 1.00 0.00 C ATOM 1020 CD2 TYR A 67 10.469 -9.705 -2.153 1.00 0.00 C ATOM 1021 CE1 TYR A 67 8.863 -9.983 0.074 1.00 0.00 C ATOM 1022 CE2 TYR A 67 9.289 -10.421 -2.237 1.00 0.00 C ATOM 1023 CZ TYR A 67 8.491 -10.556 -1.121 1.00 0.00 C ATOM 1024 OH TYR A 67 7.315 -11.267 -1.202 1.00 0.00 O ATOM 0 H TYR A 67 10.372 -6.678 -1.301 1.00 0.00 H new ATOM 0 HA TYR A 67 11.881 -7.215 0.972 1.00 0.00 H new ATOM 0 HB2 TYR A 67 12.505 -8.094 -1.890 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.936 -8.947 -0.421 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.330 -8.821 1.092 1.00 0.00 H new ATOM 0 HD2 TYR A 67 11.090 -9.601 -3.030 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.235 -10.091 0.946 1.00 0.00 H new ATOM 0 HE2 TYR A 67 8.994 -10.872 -3.173 1.00 0.00 H new ATOM 0 HH TYR A 67 7.199 -11.605 -2.115 1.00 0.00 H new ATOM 1034 N ASN A 68 13.876 -5.972 -1.341 1.00 0.00 N ATOM 1035 CA ASN A 68 15.160 -5.281 -1.544 1.00 0.00 C ATOM 1036 C ASN A 68 15.218 -3.910 -0.873 1.00 0.00 C ATOM 1037 O ASN A 68 15.997 -3.700 0.055 1.00 0.00 O ATOM 1038 CB ASN A 68 15.466 -5.135 -3.039 1.00 0.00 C ATOM 1039 CG ASN A 68 16.957 -5.042 -3.319 1.00 0.00 C ATOM 1040 OD1 ASN A 68 17.554 -5.976 -3.854 1.00 0.00 O ATOM 1041 ND2 ASN A 68 17.571 -3.914 -2.958 1.00 0.00 N ATOM 0 H ASN A 68 13.402 -6.227 -2.208 1.00 0.00 H new ATOM 0 HA ASN A 68 15.917 -5.905 -1.069 1.00 0.00 H new ATOM 0 HB2 ASN A 68 15.051 -5.987 -3.577 1.00 0.00 H new ATOM 0 HB3 ASN A 68 14.971 -4.243 -3.423 1.00 0.00 H new ATOM 0 HD21 ASN A 68 18.571 -3.803 -3.123 1.00 0.00 H new ATOM 0 HD22 ASN A 68 17.040 -3.163 -2.517 1.00 0.00 H new ATOM 1048 N ALA A 69 14.399 -2.978 -1.359 1.00 0.00 N ATOM 1049 CA ALA A 69 14.347 -1.601 -0.837 1.00 0.00 C ATOM 1050 C ALA A 69 15.572 -0.797 -1.273 1.00 0.00 C ATOM 1051 O ALA A 69 16.706 -1.151 -0.941 1.00 0.00 O ATOM 1052 CB ALA A 69 14.217 -1.572 0.689 1.00 0.00 C ATOM 0 H ALA A 69 13.750 -3.150 -2.127 1.00 0.00 H new ATOM 0 HA ALA A 69 13.455 -1.139 -1.260 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.182 -0.538 1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.302 -2.084 0.986 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.075 -2.074 1.137 1.00 0.00 H new ATOM 1058 N ASN A 70 15.331 0.296 -2.007 1.00 0.00 N ATOM 1059 CA ASN A 70 16.401 1.174 -2.484 1.00 0.00 C ATOM 1060 C ASN A 70 15.947 2.631 -2.426 1.00 0.00 C ATOM 1061 O ASN A 70 14.751 2.917 -2.336 1.00 0.00 O ATOM 1062 CB ASN A 70 16.802 0.811 -3.919 1.00 0.00 C ATOM 1063 CG ASN A 70 17.127 -0.664 -4.087 1.00 0.00 C ATOM 1064 OD1 ASN A 70 18.280 -1.075 -3.952 1.00 0.00 O ATOM 1065 ND2 ASN A 70 16.110 -1.472 -4.384 1.00 0.00 N ATOM 0 H ASN A 70 14.396 0.593 -2.284 1.00 0.00 H new ATOM 0 HA ASN A 70 17.268 1.041 -1.837 1.00 0.00 H new ATOM 0 HB2 ASN A 70 15.991 1.079 -4.596 1.00 0.00 H new ATOM 0 HB3 ASN A 70 17.669 1.404 -4.210 1.00 0.00 H new ATOM 0 HD21 ASN A 70 16.272 -2.471 -4.508 1.00 0.00 H new ATOM 0 HD22 ASN A 70 15.169 -1.091 -4.487 1.00 0.00 H new ATOM 1072 N ILE A 71 16.902 3.565 -2.490 1.00 0.00 N ATOM 1073 CA ILE A 71 16.581 5.001 -2.449 1.00 0.00 C ATOM 1074 C ILE A 71 15.509 5.394 -3.481 1.00 0.00 C ATOM 1075 O ILE A 71 14.777 6.366 -3.281 1.00 0.00 O ATOM 1076 CB ILE A 71 17.835 5.872 -2.668 1.00 0.00 C ATOM 1077 CG1 ILE A 71 18.552 5.469 -3.961 1.00 0.00 C ATOM 1078 CG2 ILE A 71 18.772 5.755 -1.475 1.00 0.00 C ATOM 1079 CD1 ILE A 71 19.668 6.413 -4.356 1.00 0.00 C ATOM 0 H ILE A 71 17.897 3.358 -2.570 1.00 0.00 H new ATOM 0 HA ILE A 71 16.184 5.186 -1.451 1.00 0.00 H new ATOM 0 HB ILE A 71 17.524 6.912 -2.763 1.00 0.00 H new ATOM 0 HG12 ILE A 71 18.961 4.466 -3.842 1.00 0.00 H new ATOM 0 HG13 ILE A 71 17.824 5.422 -4.771 1.00 0.00 H new ATOM 0 HG21 ILE A 71 19.653 6.375 -1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.258 6.091 -0.574 1.00 0.00 H new ATOM 0 HG23 ILE A 71 19.077 4.716 -1.353 1.00 0.00 H new ATOM 0 HD11 ILE A 71 20.129 6.064 -5.280 1.00 0.00 H new ATOM 0 HD12 ILE A 71 19.262 7.413 -4.508 1.00 0.00 H new ATOM 0 HD13 ILE A 71 20.417 6.442 -3.565 1.00 0.00 H new ATOM 1091 N ASP A 72 15.416 4.620 -4.572 1.00 0.00 N ATOM 1092 CA ASP A 72 14.427 4.872 -5.617 1.00 0.00 C ATOM 1093 C ASP A 72 13.020 4.556 -5.108 1.00 0.00 C ATOM 1094 O ASP A 72 12.084 5.326 -5.339 1.00 0.00 O ATOM 1095 CB ASP A 72 14.736 4.031 -6.859 1.00 0.00 C ATOM 1096 CG ASP A 72 15.947 4.541 -7.615 1.00 0.00 C ATOM 1097 OD1 ASP A 72 17.048 4.571 -7.024 1.00 0.00 O ATOM 1098 OD2 ASP A 72 15.797 4.909 -8.800 1.00 0.00 O ATOM 0 H ASP A 72 16.017 3.815 -4.749 1.00 0.00 H new ATOM 0 HA ASP A 72 14.474 5.927 -5.887 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.906 2.996 -6.561 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.870 4.034 -7.521 1.00 0.00 H new ATOM 1103 N ASP A 73 12.881 3.422 -4.404 1.00 0.00 N ATOM 1104 CA ASP A 73 11.594 3.005 -3.848 1.00 0.00 C ATOM 1105 C ASP A 73 11.123 3.978 -2.767 1.00 0.00 C ATOM 1106 O ASP A 73 9.921 4.207 -2.620 1.00 0.00 O ATOM 1107 CB ASP A 73 11.690 1.588 -3.274 1.00 0.00 C ATOM 1108 CG ASP A 73 11.784 0.532 -4.358 1.00 0.00 C ATOM 1109 OD1 ASP A 73 10.951 0.561 -5.288 1.00 0.00 O ATOM 1110 OD2 ASP A 73 12.692 -0.321 -4.278 1.00 0.00 O ATOM 0 H ASP A 73 13.649 2.779 -4.209 1.00 0.00 H new ATOM 0 HA ASP A 73 10.863 3.009 -4.656 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.564 1.519 -2.627 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.817 1.390 -2.652 1.00 0.00 H new ATOM 1115 N ALA A 74 12.074 4.561 -2.012 1.00 0.00 N ATOM 1116 CA ALA A 74 11.743 5.522 -0.943 1.00 0.00 C ATOM 1117 C ALA A 74 10.812 6.643 -1.430 1.00 0.00 C ATOM 1118 O ALA A 74 11.226 7.515 -2.198 1.00 0.00 O ATOM 1119 CB ALA A 74 13.014 6.124 -0.357 1.00 0.00 C ATOM 0 H ALA A 74 13.073 4.384 -2.122 1.00 0.00 H new ATOM 0 HA ALA A 74 11.211 4.966 -0.171 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.752 6.831 0.430 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.634 5.330 0.059 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.566 6.642 -1.141 1.00 0.00 H new ATOM 1125 N GLY A 75 9.561 6.601 -0.967 1.00 0.00 N ATOM 1126 CA GLY A 75 8.577 7.604 -1.342 1.00 0.00 C ATOM 1127 C GLY A 75 7.227 7.331 -0.707 1.00 0.00 C ATOM 1128 O GLY A 75 7.055 6.306 -0.043 1.00 0.00 O ATOM 0 H GLY A 75 9.211 5.882 -0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.929 8.590 -1.039 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.472 7.623 -2.427 1.00 0.00 H new ATOM 1132 N ILE A 76 6.276 8.246 -0.898 1.00 0.00 N ATOM 1133 CA ILE A 76 4.943 8.092 -0.322 1.00 0.00 C ATOM 1134 C ILE A 76 4.078 7.149 -1.165 1.00 0.00 C ATOM 1135 O ILE A 76 3.500 7.565 -2.172 1.00 0.00 O ATOM 1136 CB ILE A 76 4.228 9.465 -0.158 1.00 0.00 C ATOM 1137 CG1 ILE A 76 5.135 10.438 0.626 1.00 0.00 C ATOM 1138 CG2 ILE A 76 2.871 9.294 0.541 1.00 0.00 C ATOM 1139 CD1 ILE A 76 4.515 11.791 0.924 1.00 0.00 C ATOM 0 H ILE A 76 6.405 9.097 -1.445 1.00 0.00 H new ATOM 0 HA ILE A 76 5.074 7.653 0.667 1.00 0.00 H new ATOM 0 HB ILE A 76 4.040 9.884 -1.147 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.417 9.969 1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.053 10.592 0.059 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.390 10.267 0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.236 8.637 -0.053 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.023 8.857 1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.227 12.404 1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.259 12.288 -0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.613 11.654 1.521 1.00 0.00 H new ATOM 1151 N TYR A 77 3.969 5.887 -0.724 1.00 0.00 N ATOM 1152 CA TYR A 77 3.141 4.901 -1.421 1.00 0.00 C ATOM 1153 C TYR A 77 1.666 5.227 -1.180 1.00 0.00 C ATOM 1154 O TYR A 77 1.349 6.109 -0.372 1.00 0.00 O ATOM 1155 CB TYR A 77 3.457 3.479 -0.942 1.00 0.00 C ATOM 1156 CG TYR A 77 4.796 2.950 -1.407 1.00 0.00 C ATOM 1157 CD1 TYR A 77 5.962 3.374 -0.794 1.00 0.00 C ATOM 1158 CD2 TYR A 77 4.896 2.021 -2.439 1.00 0.00 C ATOM 1159 CE1 TYR A 77 7.199 2.893 -1.190 1.00 0.00 C ATOM 1160 CE2 TYR A 77 6.128 1.531 -2.842 1.00 0.00 C ATOM 1161 CZ TYR A 77 7.275 1.972 -2.213 1.00 0.00 C ATOM 1162 OH TYR A 77 8.501 1.489 -2.611 1.00 0.00 O ATOM 0 H TYR A 77 4.442 5.530 0.107 1.00 0.00 H new ATOM 0 HA TYR A 77 3.358 4.947 -2.488 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.430 3.461 0.148 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.673 2.807 -1.291 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.906 4.094 0.009 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.999 1.677 -2.933 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.098 3.237 -0.701 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.190 0.809 -3.643 1.00 0.00 H new ATOM 0 HH TYR A 77 8.378 0.848 -3.342 1.00 0.00 H new ATOM 1172 N LYS A 78 0.764 4.535 -1.883 1.00 0.00 N ATOM 1173 CA LYS A 78 -0.675 4.781 -1.740 1.00 0.00 C ATOM 1174 C LYS A 78 -1.463 3.485 -1.581 1.00 0.00 C ATOM 1175 O LYS A 78 -1.017 2.422 -2.003 1.00 0.00 O ATOM 1176 CB LYS A 78 -1.199 5.561 -2.958 1.00 0.00 C ATOM 1177 CG LYS A 78 -2.054 6.769 -2.600 1.00 0.00 C ATOM 1178 CD LYS A 78 -2.393 7.605 -3.828 1.00 0.00 C ATOM 1179 CE LYS A 78 -1.145 8.187 -4.474 1.00 0.00 C ATOM 1180 NZ LYS A 78 -1.462 9.340 -5.361 1.00 0.00 N ATOM 0 H LYS A 78 1.003 3.804 -2.553 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.818 5.370 -0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.350 5.894 -3.556 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.784 4.887 -3.583 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.975 6.434 -2.123 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.525 7.387 -1.874 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.924 6.988 -4.553 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.066 8.414 -3.543 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.451 8.507 -3.697 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.641 7.412 -5.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.584 9.707 -5.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.104 9.030 -6.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.919 10.090 -4.805 1.00 0.00 H new ATOM 1194 N CYS A 79 -2.659 3.610 -1.003 1.00 0.00 N ATOM 1195 CA CYS A 79 -3.561 2.480 -0.806 1.00 0.00 C ATOM 1196 C CYS A 79 -4.987 2.930 -1.099 1.00 0.00 C ATOM 1197 O CYS A 79 -5.608 3.606 -0.275 1.00 0.00 O ATOM 1198 CB CYS A 79 -3.457 1.938 0.622 1.00 0.00 C ATOM 1199 SG CYS A 79 -4.345 0.368 0.882 1.00 0.00 S ATOM 0 H CYS A 79 -3.027 4.497 -0.660 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.280 1.676 -1.486 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.405 1.795 0.870 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.849 2.684 1.313 1.00 0.00 H new ATOM 1204 N VAL A 80 -5.488 2.596 -2.296 1.00 0.00 N ATOM 1205 CA VAL A 80 -6.832 3.016 -2.718 1.00 0.00 C ATOM 1206 C VAL A 80 -7.834 1.860 -2.720 1.00 0.00 C ATOM 1207 O VAL A 80 -7.568 0.790 -3.265 1.00 0.00 O ATOM 1208 CB VAL A 80 -6.820 3.661 -4.132 1.00 0.00 C ATOM 1209 CG1 VAL A 80 -8.113 4.425 -4.382 1.00 0.00 C ATOM 1210 CG2 VAL A 80 -5.619 4.585 -4.320 1.00 0.00 C ATOM 0 H VAL A 80 -4.986 2.039 -2.987 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.147 3.755 -1.982 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.738 2.853 -4.859 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.086 4.870 -5.377 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.959 3.741 -4.313 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.221 5.212 -3.636 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.645 5.017 -5.320 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.655 5.383 -3.579 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.698 4.015 -4.195 1.00 0.00 H new ATOM 1220 N VAL A 81 -9.013 2.114 -2.137 1.00 0.00 N ATOM 1221 CA VAL A 81 -10.101 1.139 -2.088 1.00 0.00 C ATOM 1222 C VAL A 81 -11.279 1.690 -2.894 1.00 0.00 C ATOM 1223 O VAL A 81 -11.608 2.867 -2.764 1.00 0.00 O ATOM 1224 CB VAL A 81 -10.481 0.783 -0.592 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -11.920 1.147 -0.191 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -10.234 -0.703 -0.316 1.00 0.00 C ATOM 0 H VAL A 81 -9.235 3.002 -1.687 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.789 0.197 -2.539 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.829 1.404 0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -12.090 0.867 0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -12.070 2.220 -0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -12.622 0.612 -0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.500 -0.931 0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.845 -1.305 -0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -9.181 -0.933 -0.478 1.00 0.00 H new ATOM 1236 N THR A 82 -11.895 0.853 -3.736 1.00 0.00 N ATOM 1237 CA THR A 82 -13.025 1.305 -4.566 1.00 0.00 C ATOM 1238 C THR A 82 -14.334 0.603 -4.208 1.00 0.00 C ATOM 1239 O THR A 82 -14.341 -0.573 -3.838 1.00 0.00 O ATOM 1240 CB THR A 82 -12.717 1.108 -6.054 1.00 0.00 C ATOM 1241 OG1 THR A 82 -11.325 1.207 -6.303 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.411 2.123 -6.940 1.00 0.00 C ATOM 0 H THR A 82 -11.638 -0.126 -3.863 1.00 0.00 H new ATOM 0 HA THR A 82 -13.157 2.367 -4.360 1.00 0.00 H new ATOM 0 HB THR A 82 -13.088 0.112 -6.296 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.154 1.076 -7.259 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.154 1.932 -7.982 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.490 2.041 -6.811 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.088 3.127 -6.665 1.00 0.00 H new ATOM 1250 N ALA A 83 -15.445 1.342 -4.339 1.00 0.00 N ATOM 1251 CA ALA A 83 -16.774 0.812 -4.050 1.00 0.00 C ATOM 1252 C ALA A 83 -17.399 0.218 -5.313 1.00 0.00 C ATOM 1253 O ALA A 83 -16.746 0.152 -6.357 1.00 0.00 O ATOM 1254 CB ALA A 83 -17.661 1.906 -3.470 1.00 0.00 C ATOM 0 H ALA A 83 -15.443 2.315 -4.646 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.681 0.016 -3.311 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.650 1.499 -3.258 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.219 2.282 -2.548 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -17.750 2.721 -4.188 1.00 0.00 H new ATOM 1260 N GLU A 84 -18.657 -0.222 -5.209 1.00 0.00 N ATOM 1261 CA GLU A 84 -19.360 -0.821 -6.344 1.00 0.00 C ATOM 1262 C GLU A 84 -19.767 0.235 -7.371 1.00 0.00 C ATOM 1263 O GLU A 84 -19.570 0.045 -8.574 1.00 0.00 O ATOM 1264 CB GLU A 84 -20.595 -1.587 -5.864 1.00 0.00 C ATOM 1265 CG GLU A 84 -21.093 -2.621 -6.860 1.00 0.00 C ATOM 1266 CD GLU A 84 -21.973 -3.676 -6.218 1.00 0.00 C ATOM 1267 OE1 GLU A 84 -23.182 -3.414 -6.042 1.00 0.00 O ATOM 1268 OE2 GLU A 84 -21.454 -4.763 -5.890 1.00 0.00 O ATOM 0 H GLU A 84 -19.207 -0.174 -4.351 1.00 0.00 H new ATOM 0 HA GLU A 84 -18.673 -1.516 -6.827 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -20.361 -2.084 -4.923 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -21.396 -0.877 -5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -21.652 -2.119 -7.650 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -20.238 -3.105 -7.333 1.00 0.00 H new ATOM 1275 N ASP A 85 -20.340 1.343 -6.890 1.00 0.00 N ATOM 1276 CA ASP A 85 -20.783 2.428 -7.769 1.00 0.00 C ATOM 1277 C ASP A 85 -19.600 3.221 -8.322 1.00 0.00 C ATOM 1278 O ASP A 85 -19.638 3.678 -9.467 1.00 0.00 O ATOM 1279 CB ASP A 85 -21.743 3.369 -7.028 1.00 0.00 C ATOM 1280 CG ASP A 85 -21.161 3.911 -5.736 1.00 0.00 C ATOM 1281 OD1 ASP A 85 -21.252 3.214 -4.703 1.00 0.00 O ATOM 1282 OD2 ASP A 85 -20.620 5.036 -5.754 1.00 0.00 O ATOM 0 H ASP A 85 -20.507 1.511 -5.898 1.00 0.00 H new ATOM 0 HA ASP A 85 -21.308 1.972 -8.608 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -22.003 4.202 -7.681 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -22.668 2.836 -6.808 1.00 0.00 H new ATOM 1287 N GLY A 86 -18.554 3.383 -7.502 1.00 0.00 N ATOM 1288 CA GLY A 86 -17.371 4.126 -7.922 1.00 0.00 C ATOM 1289 C GLY A 86 -16.683 4.874 -6.785 1.00 0.00 C ATOM 1290 O GLY A 86 -15.512 5.237 -6.909 1.00 0.00 O ATOM 0 H GLY A 86 -18.507 3.011 -6.553 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.660 3.435 -8.373 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -17.656 4.840 -8.695 1.00 0.00 H new ATOM 1294 N THR A 87 -17.404 5.109 -5.675 1.00 0.00 N ATOM 1295 CA THR A 87 -16.849 5.823 -4.512 1.00 0.00 C ATOM 1296 C THR A 87 -15.574 5.148 -3.987 1.00 0.00 C ATOM 1297 O THR A 87 -15.636 4.070 -3.396 1.00 0.00 O ATOM 1298 CB THR A 87 -17.900 5.907 -3.394 1.00 0.00 C ATOM 1299 OG1 THR A 87 -19.090 6.509 -3.872 1.00 0.00 O ATOM 1300 CG2 THR A 87 -17.446 6.697 -2.183 1.00 0.00 C ATOM 0 H THR A 87 -18.374 4.814 -5.559 1.00 0.00 H new ATOM 0 HA THR A 87 -16.583 6.829 -4.836 1.00 0.00 H new ATOM 0 HB THR A 87 -18.066 4.875 -3.086 1.00 0.00 H new ATOM 0 HG1 THR A 87 -19.575 5.872 -4.437 1.00 0.00 H new ATOM 0 HG21 THR A 87 -18.242 6.711 -1.438 1.00 0.00 H new ATOM 0 HG22 THR A 87 -16.558 6.231 -1.756 1.00 0.00 H new ATOM 0 HG23 THR A 87 -17.211 7.719 -2.482 1.00 0.00 H new ATOM 1308 N GLN A 88 -14.422 5.799 -4.204 1.00 0.00 N ATOM 1309 CA GLN A 88 -13.128 5.268 -3.754 1.00 0.00 C ATOM 1310 C GLN A 88 -12.458 6.202 -2.735 1.00 0.00 C ATOM 1311 O GLN A 88 -12.374 7.412 -2.947 1.00 0.00 O ATOM 1312 CB GLN A 88 -12.170 5.022 -4.939 1.00 0.00 C ATOM 1313 CG GLN A 88 -12.288 6.021 -6.084 1.00 0.00 C ATOM 1314 CD GLN A 88 -11.330 5.725 -7.225 1.00 0.00 C ATOM 1315 OE1 GLN A 88 -11.737 5.647 -8.384 1.00 0.00 O ATOM 1316 NE2 GLN A 88 -10.048 5.559 -6.907 1.00 0.00 N ATOM 0 H GLN A 88 -14.361 6.694 -4.689 1.00 0.00 H new ATOM 0 HA GLN A 88 -13.336 4.314 -3.270 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -11.145 5.038 -4.567 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -12.351 4.021 -5.331 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -13.310 6.013 -6.463 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -12.096 7.025 -5.705 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.750 5.632 -5.934 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.363 5.359 -7.636 1.00 0.00 H new ATOM 1325 N SER A 89 -11.955 5.613 -1.643 1.00 0.00 N ATOM 1326 CA SER A 89 -11.252 6.350 -0.587 1.00 0.00 C ATOM 1327 C SER A 89 -9.843 5.780 -0.456 1.00 0.00 C ATOM 1328 O SER A 89 -9.682 4.564 -0.348 1.00 0.00 O ATOM 1329 CB SER A 89 -11.998 6.227 0.743 1.00 0.00 C ATOM 1330 OG SER A 89 -11.288 6.872 1.786 1.00 0.00 O ATOM 0 H SER A 89 -12.024 4.611 -1.467 1.00 0.00 H new ATOM 0 HA SER A 89 -11.204 7.407 -0.847 1.00 0.00 H new ATOM 0 HB2 SER A 89 -12.991 6.666 0.649 1.00 0.00 H new ATOM 0 HB3 SER A 89 -12.137 5.174 0.990 1.00 0.00 H new ATOM 0 HG SER A 89 -11.786 6.781 2.625 1.00 0.00 H new ATOM 1336 N GLU A 90 -8.823 6.645 -0.521 1.00 0.00 N ATOM 1337 CA GLU A 90 -7.424 6.192 -0.471 1.00 0.00 C ATOM 1338 C GLU A 90 -6.675 6.595 0.811 1.00 0.00 C ATOM 1339 O GLU A 90 -7.233 7.218 1.714 1.00 0.00 O ATOM 1340 CB GLU A 90 -6.686 6.730 -1.707 1.00 0.00 C ATOM 1341 CG GLU A 90 -6.512 8.244 -1.724 1.00 0.00 C ATOM 1342 CD GLU A 90 -6.281 8.789 -3.119 1.00 0.00 C ATOM 1343 OE1 GLU A 90 -6.956 8.319 -4.059 1.00 0.00 O ATOM 1344 OE2 GLU A 90 -5.424 9.684 -3.273 1.00 0.00 O ATOM 0 H GLU A 90 -8.937 7.655 -0.608 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.443 5.102 -0.465 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.703 6.262 -1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.232 6.429 -2.601 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.399 8.713 -1.297 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.670 8.516 -1.088 1.00 0.00 H new ATOM 1351 N ALA A 91 -5.386 6.225 0.849 1.00 0.00 N ATOM 1352 CA ALA A 91 -4.495 6.520 1.968 1.00 0.00 C ATOM 1353 C ALA A 91 -3.054 6.647 1.459 1.00 0.00 C ATOM 1354 O ALA A 91 -2.800 6.451 0.266 1.00 0.00 O ATOM 1355 CB ALA A 91 -4.597 5.431 3.027 1.00 0.00 C ATOM 0 H ALA A 91 -4.934 5.708 0.094 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.792 7.465 2.424 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.927 5.665 3.855 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.622 5.375 3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.315 4.472 2.591 1.00 0.00 H new ATOM 1361 N THR A 92 -2.113 6.976 2.353 1.00 0.00 N ATOM 1362 CA THR A 92 -0.704 7.127 1.960 1.00 0.00 C ATOM 1363 C THR A 92 0.246 6.747 3.095 1.00 0.00 C ATOM 1364 O THR A 92 -0.131 6.769 4.268 1.00 0.00 O ATOM 1365 CB THR A 92 -0.426 8.572 1.513 1.00 0.00 C ATOM 1366 OG1 THR A 92 -1.261 9.485 2.202 1.00 0.00 O ATOM 1367 CG2 THR A 92 -0.637 8.789 0.032 1.00 0.00 C ATOM 0 H THR A 92 -2.297 7.141 3.343 1.00 0.00 H new ATOM 0 HA THR A 92 -0.524 6.446 1.128 1.00 0.00 H new ATOM 0 HB THR A 92 0.624 8.747 1.747 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.065 10.397 1.903 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.424 9.829 -0.217 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.031 8.137 -0.530 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.671 8.558 -0.226 1.00 0.00 H new ATOM 1375 N VAL A 93 1.494 6.417 2.727 1.00 0.00 N ATOM 1376 CA VAL A 93 2.522 6.052 3.704 1.00 0.00 C ATOM 1377 C VAL A 93 3.897 6.586 3.278 1.00 0.00 C ATOM 1378 O VAL A 93 4.450 6.155 2.265 1.00 0.00 O ATOM 1379 CB VAL A 93 2.587 4.513 3.915 1.00 0.00 C ATOM 1380 CG1 VAL A 93 2.892 3.783 2.608 1.00 0.00 C ATOM 1381 CG2 VAL A 93 3.595 4.142 5.012 1.00 0.00 C ATOM 0 H VAL A 93 1.812 6.397 1.758 1.00 0.00 H new ATOM 0 HA VAL A 93 2.246 6.513 4.653 1.00 0.00 H new ATOM 0 HB VAL A 93 1.602 4.186 4.249 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.930 2.709 2.791 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.110 3.999 1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.853 4.119 2.219 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.617 3.059 5.135 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.587 4.495 4.729 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.298 4.608 5.952 1.00 0.00 H new ATOM 1391 N ASN A 94 4.436 7.521 4.069 1.00 0.00 N ATOM 1392 CA ASN A 94 5.744 8.111 3.788 1.00 0.00 C ATOM 1393 C ASN A 94 6.867 7.101 4.048 1.00 0.00 C ATOM 1394 O ASN A 94 7.377 6.999 5.169 1.00 0.00 O ATOM 1395 CB ASN A 94 5.950 9.373 4.637 1.00 0.00 C ATOM 1396 CG ASN A 94 6.811 10.413 3.938 1.00 0.00 C ATOM 1397 OD1 ASN A 94 6.293 11.360 3.346 1.00 0.00 O ATOM 1398 ND2 ASN A 94 8.131 10.245 4.002 1.00 0.00 N ATOM 0 H ASN A 94 3.984 7.884 4.908 1.00 0.00 H new ATOM 0 HA ASN A 94 5.776 8.388 2.734 1.00 0.00 H new ATOM 0 HB2 ASN A 94 4.980 9.810 4.874 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.415 9.098 5.583 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.753 10.915 3.550 1.00 0.00 H new ATOM 0 HD22 ASN A 94 8.520 9.446 4.503 1.00 0.00 H new ATOM 1405 N VAL A 95 7.247 6.357 3.005 1.00 0.00 N ATOM 1406 CA VAL A 95 8.312 5.352 3.115 1.00 0.00 C ATOM 1407 C VAL A 95 9.665 5.961 2.745 1.00 0.00 C ATOM 1408 O VAL A 95 9.799 6.591 1.694 1.00 0.00 O ATOM 1409 CB VAL A 95 8.043 4.116 2.212 1.00 0.00 C ATOM 1410 CG1 VAL A 95 9.019 2.987 2.534 1.00 0.00 C ATOM 1411 CG2 VAL A 95 6.602 3.629 2.361 1.00 0.00 C ATOM 0 H VAL A 95 6.834 6.431 2.075 1.00 0.00 H new ATOM 0 HA VAL A 95 8.328 5.020 4.153 1.00 0.00 H new ATOM 0 HB VAL A 95 8.195 4.422 1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.812 2.132 1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 95 10.040 3.330 2.365 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.903 2.692 3.577 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.442 2.764 1.718 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.418 3.349 3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.917 4.426 2.073 1.00 0.00 H new ATOM 1421 N LYS A 96 10.664 5.769 3.615 1.00 0.00 N ATOM 1422 CA LYS A 96 12.012 6.295 3.383 1.00 0.00 C ATOM 1423 C LYS A 96 13.019 5.157 3.228 1.00 0.00 C ATOM 1424 O LYS A 96 12.791 4.044 3.709 1.00 0.00 O ATOM 1425 CB LYS A 96 12.437 7.216 4.546 1.00 0.00 C ATOM 1426 CG LYS A 96 12.991 8.560 4.091 1.00 0.00 C ATOM 1427 CD LYS A 96 13.250 9.487 5.268 1.00 0.00 C ATOM 1428 CE LYS A 96 11.955 10.063 5.821 1.00 0.00 C ATOM 1429 NZ LYS A 96 12.205 11.053 6.905 1.00 0.00 N ATOM 0 H LYS A 96 10.562 5.252 4.488 1.00 0.00 H new ATOM 0 HA LYS A 96 11.995 6.873 2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.578 7.388 5.194 1.00 0.00 H new ATOM 0 HB3 LYS A 96 13.191 6.706 5.145 1.00 0.00 H new ATOM 0 HG2 LYS A 96 13.918 8.404 3.539 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.287 9.031 3.405 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.771 8.941 6.054 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.906 10.299 4.955 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.397 10.540 5.015 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.333 9.254 6.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.298 11.422 7.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.715 10.592 7.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.777 11.838 6.533 1.00 0.00 H new ATOM 1443 N ILE A 97 14.149 5.464 2.587 1.00 0.00 N ATOM 1444 CA ILE A 97 15.220 4.491 2.398 1.00 0.00 C ATOM 1445 C ILE A 97 16.575 5.197 2.372 1.00 0.00 C ATOM 1446 O ILE A 97 16.730 6.238 1.730 1.00 0.00 O ATOM 1447 CB ILE A 97 15.056 3.623 1.122 1.00 0.00 C ATOM 1448 CG1 ILE A 97 13.611 3.075 1.027 1.00 0.00 C ATOM 1449 CG2 ILE A 97 16.088 2.488 1.139 1.00 0.00 C ATOM 1450 CD1 ILE A 97 13.371 2.087 -0.101 1.00 0.00 C ATOM 0 H ILE A 97 14.344 6.383 2.190 1.00 0.00 H new ATOM 0 HA ILE A 97 15.164 3.810 3.247 1.00 0.00 H new ATOM 0 HB ILE A 97 15.233 4.235 0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 97 13.359 2.593 1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 97 12.927 3.915 0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.973 1.878 0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 97 17.093 2.910 1.164 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.933 1.868 2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.331 1.761 -0.084 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.586 2.566 -1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 97 14.024 1.223 0.027 1.00 0.00 H new ATOM 1462 N PHE A 98 17.548 4.622 3.084 1.00 0.00 N ATOM 1463 CA PHE A 98 18.903 5.191 3.159 1.00 0.00 C ATOM 1464 C PHE A 98 19.951 4.100 2.937 1.00 0.00 C ATOM 1465 O PHE A 98 19.841 3.004 3.491 1.00 0.00 O ATOM 1466 CB PHE A 98 19.146 5.915 4.514 1.00 0.00 C ATOM 1467 CG PHE A 98 18.203 5.526 5.626 1.00 0.00 C ATOM 1468 CD1 PHE A 98 16.981 6.166 5.763 1.00 0.00 C ATOM 1469 CD2 PHE A 98 18.534 4.519 6.516 1.00 0.00 C ATOM 1470 CE1 PHE A 98 16.108 5.809 6.770 1.00 0.00 C ATOM 1471 CE2 PHE A 98 17.662 4.156 7.524 1.00 0.00 C ATOM 1472 CZ PHE A 98 16.447 4.804 7.650 1.00 0.00 C ATOM 0 H PHE A 98 17.426 3.762 3.618 1.00 0.00 H new ATOM 0 HA PHE A 98 18.996 5.935 2.368 1.00 0.00 H new ATOM 0 HB2 PHE A 98 20.167 5.714 4.838 1.00 0.00 H new ATOM 0 HB3 PHE A 98 19.069 6.990 4.353 1.00 0.00 H new ATOM 0 HD1 PHE A 98 16.709 6.952 5.074 1.00 0.00 H new ATOM 0 HD2 PHE A 98 19.483 4.012 6.421 1.00 0.00 H new ATOM 0 HE1 PHE A 98 15.160 6.317 6.869 1.00 0.00 H new ATOM 0 HE2 PHE A 98 17.929 3.368 8.212 1.00 0.00 H new ATOM 0 HZ PHE A 98 15.764 4.523 8.438 1.00 0.00 H new ATOM 1482 N GLN A 99 20.962 4.411 2.117 1.00 0.00 N ATOM 1483 CA GLN A 99 22.032 3.461 1.813 1.00 0.00 C ATOM 1484 C GLN A 99 23.154 3.559 2.841 1.00 0.00 C ATOM 1485 O GLN A 99 23.328 4.650 3.423 1.00 0.00 O ATOM 1486 CB GLN A 99 22.582 3.710 0.404 1.00 0.00 C ATOM 1487 CG GLN A 99 23.099 5.125 0.183 1.00 0.00 C ATOM 1488 CD GLN A 99 23.860 5.271 -1.125 1.00 0.00 C ATOM 1489 OE1 GLN A 99 25.016 5.697 -1.136 1.00 0.00 O ATOM 1490 NE2 GLN A 99 23.218 4.920 -2.238 1.00 0.00 N ATOM 1491 OXT GLN A 99 23.849 2.543 3.056 1.00 0.00 O ATOM 0 H GLN A 99 21.059 5.314 1.653 1.00 0.00 H new ATOM 0 HA GLN A 99 21.615 2.455 1.856 1.00 0.00 H new ATOM 0 HB2 GLN A 99 23.390 3.004 0.210 1.00 0.00 H new ATOM 0 HB3 GLN A 99 21.797 3.503 -0.323 1.00 0.00 H new ATOM 0 HG2 GLN A 99 22.259 5.820 0.190 1.00 0.00 H new ATOM 0 HG3 GLN A 99 23.750 5.403 1.011 1.00 0.00 H new ATOM 0 HE21 GLN A 99 22.261 4.572 -2.186 1.00 0.00 H new ATOM 0 HE22 GLN A 99 23.684 5.000 -3.142 1.00 0.00 H new