USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 830 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 66 TYR OH : rot 180:sc= -1.42 USER MOD Set 1.2: A 70 MET CE :methyl -170:sc= -3.13 (180deg=-3.45!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.0186 K(o=-0.019,f=-1.3) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0101 USER MOD Single : A 21 LYS NZ :NH3+ 159:sc= -1.71 (180deg=-2.93!) USER MOD Single : A 25 MET CE :methyl -169:sc= -1.67 (180deg=-1.95) USER MOD Single : A 26 LYS NZ :NH3+ 165:sc=-0.000371 (180deg=-0.0957) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0511 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -155:sc= -0.0499 (180deg=-0.434) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 155:sc= -0.462 (180deg=-1.43!) USER MOD Single : A 53 SER OG : rot 109:sc= 0.457 USER MOD Single : A 58 THR OG1 : rot 136:sc= -1.01 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 165:sc= -0.109 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 65 LYS NZ :NH3+ 154:sc= 0.763 (180deg=0.409) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.603 K(o=0.6,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -172:sc= 0.144 (180deg=0.12) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -1.68! K(o=-1.7!,f=-2.3) USER MOD Single : A 79 ASN :FLIP amide:sc= -1.2! F(o=-1.7,f=-1.2!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.389 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 MET CE :methyl 162:sc= -0.0254 (180deg=-0.329) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N ALA A 9 -8.550 16.062 1.427 1.00 0.00 N ATOM 78 CA ALA A 9 -7.456 15.293 0.846 1.00 0.00 C ATOM 79 C ALA A 9 -7.116 14.084 1.711 1.00 0.00 C ATOM 80 O ALA A 9 -6.941 12.975 1.205 1.00 0.00 O ATOM 81 CB ALA A 9 -6.230 16.174 0.661 1.00 0.00 C ATOM 0 HA ALA A 9 -7.778 14.930 -0.130 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.422 15.586 0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.474 17.002 -0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.914 16.566 1.628 1.00 0.00 H new ATOM 87 N ASP A 10 -7.023 14.305 3.018 1.00 0.00 N ATOM 88 CA ASP A 10 -6.703 13.233 3.954 1.00 0.00 C ATOM 89 C ASP A 10 -7.724 12.104 3.855 1.00 0.00 C ATOM 90 O ASP A 10 -7.380 10.930 3.994 1.00 0.00 O ATOM 91 CB ASP A 10 -6.658 13.773 5.384 1.00 0.00 C ATOM 92 CG ASP A 10 -5.991 15.132 5.469 1.00 0.00 C ATOM 93 OD1 ASP A 10 -4.957 15.329 4.796 1.00 0.00 O ATOM 94 OD2 ASP A 10 -6.503 15.998 6.208 1.00 0.00 O ATOM 0 H ASP A 10 -7.165 15.217 3.453 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.722 12.836 3.693 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.673 13.845 5.774 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.122 13.068 6.019 1.00 0.00 H new ATOM 99 N GLN A 11 -8.980 12.467 3.617 1.00 0.00 N ATOM 100 CA GLN A 11 -10.050 11.484 3.502 1.00 0.00 C ATOM 101 C GLN A 11 -9.815 10.559 2.312 1.00 0.00 C ATOM 102 O GLN A 11 -10.072 9.357 2.387 1.00 0.00 O ATOM 103 CB GLN A 11 -11.402 12.185 3.359 1.00 0.00 C ATOM 104 CG GLN A 11 -12.590 11.279 3.642 1.00 0.00 C ATOM 105 CD GLN A 11 -13.894 11.845 3.114 1.00 0.00 C ATOM 106 OE1 GLN A 11 -14.361 11.462 2.042 1.00 0.00 O ATOM 107 NE2 GLN A 11 -14.490 12.762 3.868 1.00 0.00 N ATOM 0 H GLN A 11 -9.281 13.434 3.500 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.055 10.882 4.411 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.434 13.036 4.039 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -11.491 12.582 2.348 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -12.413 10.303 3.191 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -12.675 11.123 4.717 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -14.067 13.050 4.750 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -15.371 13.178 3.565 1.00 0.00 H new ATOM 116 N ILE A 12 -9.326 11.128 1.215 1.00 0.00 N ATOM 117 CA ILE A 12 -9.056 10.354 0.010 1.00 0.00 C ATOM 118 C ILE A 12 -8.023 9.265 0.276 1.00 0.00 C ATOM 119 O ILE A 12 -8.343 8.076 0.270 1.00 0.00 O ATOM 120 CB ILE A 12 -8.554 11.253 -1.136 1.00 0.00 C ATOM 121 CG1 ILE A 12 -9.668 12.194 -1.600 1.00 0.00 C ATOM 122 CG2 ILE A 12 -8.053 10.404 -2.295 1.00 0.00 C ATOM 123 CD1 ILE A 12 -9.187 13.288 -2.527 1.00 0.00 C ATOM 0 H ILE A 12 -9.109 12.122 1.136 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.998 9.893 -0.286 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.724 11.856 -0.768 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.437 11.611 -2.107 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -10.136 12.648 -0.727 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.702 11.054 -3.097 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.233 9.772 -1.955 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.865 9.778 -2.665 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.029 13.917 -2.816 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.439 13.895 -2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.745 12.842 -3.418 1.00 0.00 H new ATOM 135 N ARG A 13 -6.782 9.678 0.511 1.00 0.00 N ATOM 136 CA ARG A 13 -5.701 8.738 0.780 1.00 0.00 C ATOM 137 C ARG A 13 -6.127 7.702 1.816 1.00 0.00 C ATOM 138 O ARG A 13 -5.763 6.530 1.721 1.00 0.00 O ATOM 139 CB ARG A 13 -4.458 9.483 1.271 1.00 0.00 C ATOM 140 CG ARG A 13 -4.758 10.544 2.317 1.00 0.00 C ATOM 141 CD ARG A 13 -3.488 11.027 3.000 1.00 0.00 C ATOM 142 NE ARG A 13 -3.738 11.473 4.368 1.00 0.00 N ATOM 143 CZ ARG A 13 -2.784 11.899 5.188 1.00 0.00 C ATOM 144 NH1 ARG A 13 -1.523 11.937 4.781 1.00 0.00 N ATOM 145 NH2 ARG A 13 -3.091 12.289 6.419 1.00 0.00 N ATOM 0 H ARG A 13 -6.500 10.658 0.521 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.463 8.222 -0.150 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.754 8.763 1.688 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.966 9.953 0.419 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.263 11.388 1.847 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.442 10.138 3.063 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.753 10.222 3.010 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.056 11.846 2.425 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.698 11.456 4.713 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.283 11.639 3.836 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.793 12.265 5.413 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.060 12.262 6.736 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.358 12.616 7.048 1.00 0.00 H new ATOM 159 N GLN A 14 -6.901 8.143 2.803 1.00 0.00 N ATOM 160 CA GLN A 14 -7.375 7.253 3.856 1.00 0.00 C ATOM 161 C GLN A 14 -8.277 6.164 3.285 1.00 0.00 C ATOM 162 O GLN A 14 -8.177 4.998 3.667 1.00 0.00 O ATOM 163 CB GLN A 14 -8.130 8.049 4.923 1.00 0.00 C ATOM 164 CG GLN A 14 -8.255 7.319 6.251 1.00 0.00 C ATOM 165 CD GLN A 14 -8.568 8.254 7.403 1.00 0.00 C ATOM 166 OE1 GLN A 14 -8.798 9.447 7.204 1.00 0.00 O ATOM 167 NE2 GLN A 14 -8.580 7.715 8.616 1.00 0.00 N ATOM 0 H GLN A 14 -7.213 9.110 2.895 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.507 6.777 4.312 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -7.619 8.998 5.086 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.127 8.284 4.551 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -9.040 6.566 6.175 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.325 6.790 6.460 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.384 6.721 8.734 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.786 8.295 9.430 1.00 0.00 H new ATOM 176 N SER A 15 -9.156 6.553 2.367 1.00 0.00 N ATOM 177 CA SER A 15 -10.079 5.610 1.745 1.00 0.00 C ATOM 178 C SER A 15 -9.325 4.592 0.895 1.00 0.00 C ATOM 179 O SER A 15 -9.651 3.406 0.891 1.00 0.00 O ATOM 180 CB SER A 15 -11.099 6.356 0.883 1.00 0.00 C ATOM 181 OG SER A 15 -12.063 5.465 0.348 1.00 0.00 O ATOM 0 H SER A 15 -9.249 7.514 2.037 1.00 0.00 H new ATOM 0 HA SER A 15 -10.604 5.077 2.538 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.597 7.119 1.481 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.586 6.872 0.071 1.00 0.00 H new ATOM 0 HG SER A 15 -12.704 5.966 -0.198 1.00 0.00 H new ATOM 187 N VAL A 16 -8.313 5.067 0.174 1.00 0.00 N ATOM 188 CA VAL A 16 -7.510 4.200 -0.680 1.00 0.00 C ATOM 189 C VAL A 16 -7.112 2.923 0.052 1.00 0.00 C ATOM 190 O VAL A 16 -7.198 1.826 -0.501 1.00 0.00 O ATOM 191 CB VAL A 16 -6.238 4.916 -1.169 1.00 0.00 C ATOM 192 CG1 VAL A 16 -5.397 3.985 -2.029 1.00 0.00 C ATOM 193 CG2 VAL A 16 -6.599 6.180 -1.934 1.00 0.00 C ATOM 0 H VAL A 16 -8.030 6.047 0.165 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.128 3.944 -1.541 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.646 5.201 -0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.502 4.509 -2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.108 3.112 -1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.977 3.666 -2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.688 6.673 -2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.213 5.920 -2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.156 6.853 -1.282 1.00 0.00 H new ATOM 203 N ARG A 17 -6.678 3.073 1.298 1.00 0.00 N ATOM 204 CA ARG A 17 -6.265 1.932 2.106 1.00 0.00 C ATOM 205 C ARG A 17 -7.296 0.809 2.027 1.00 0.00 C ATOM 206 O ARG A 17 -7.013 -0.272 1.510 1.00 0.00 O ATOM 207 CB ARG A 17 -6.068 2.356 3.563 1.00 0.00 C ATOM 208 CG ARG A 17 -5.078 3.496 3.737 1.00 0.00 C ATOM 209 CD ARG A 17 -4.773 3.750 5.205 1.00 0.00 C ATOM 210 NE ARG A 17 -3.771 4.797 5.382 1.00 0.00 N ATOM 211 CZ ARG A 17 -3.323 5.192 6.569 1.00 0.00 C ATOM 212 NH1 ARG A 17 -3.786 4.629 7.677 1.00 0.00 N ATOM 213 NH2 ARG A 17 -2.410 6.152 6.649 1.00 0.00 N ATOM 0 H ARG A 17 -6.603 3.974 1.771 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.319 1.562 1.711 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.030 2.655 3.979 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -5.725 1.497 4.139 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.154 3.261 3.208 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.482 4.402 3.286 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.690 4.034 5.722 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.420 2.828 5.667 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.394 5.250 4.549 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.488 3.891 7.619 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.440 4.934 8.587 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.052 6.587 5.799 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.067 6.455 7.561 1.00 0.00 H new ATOM 227 N HIS A 18 -8.492 1.073 2.543 1.00 0.00 N ATOM 228 CA HIS A 18 -9.565 0.085 2.531 1.00 0.00 C ATOM 229 C HIS A 18 -9.686 -0.568 1.158 1.00 0.00 C ATOM 230 O HIS A 18 -9.579 -1.787 1.028 1.00 0.00 O ATOM 231 CB HIS A 18 -10.892 0.738 2.917 1.00 0.00 C ATOM 232 CG HIS A 18 -11.851 -0.201 3.583 1.00 0.00 C ATOM 233 ND1 HIS A 18 -12.255 -0.059 4.894 1.00 0.00 N ATOM 234 CD2 HIS A 18 -12.486 -1.299 3.111 1.00 0.00 C ATOM 235 CE1 HIS A 18 -13.097 -1.031 5.199 1.00 0.00 C ATOM 236 NE2 HIS A 18 -13.255 -1.796 4.135 1.00 0.00 N ATOM 0 H HIS A 18 -8.743 1.963 2.975 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.323 -0.687 3.261 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.694 1.576 3.585 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.360 1.147 2.022 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.404 -1.708 2.115 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -13.575 -1.175 6.157 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -13.851 -2.622 4.082 1.00 0.00 H new ATOM 245 N SER A 19 -9.912 0.252 0.136 1.00 0.00 N ATOM 246 CA SER A 19 -10.053 -0.247 -1.227 1.00 0.00 C ATOM 247 C SER A 19 -9.049 -1.362 -1.505 1.00 0.00 C ATOM 248 O SER A 19 -9.425 -2.475 -1.873 1.00 0.00 O ATOM 249 CB SER A 19 -9.859 0.891 -2.232 1.00 0.00 C ATOM 250 OG SER A 19 -10.604 2.036 -1.855 1.00 0.00 O ATOM 0 H SER A 19 -10.001 1.264 0.226 1.00 0.00 H new ATOM 0 HA SER A 19 -11.059 -0.652 -1.336 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.801 1.147 -2.297 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.169 0.562 -3.224 1.00 0.00 H new ATOM 0 HG SER A 19 -10.462 2.749 -2.512 1.00 0.00 H new ATOM 256 N LEU A 20 -7.769 -1.054 -1.325 1.00 0.00 N ATOM 257 CA LEU A 20 -6.709 -2.029 -1.555 1.00 0.00 C ATOM 258 C LEU A 20 -6.983 -3.322 -0.794 1.00 0.00 C ATOM 259 O LEU A 20 -7.007 -4.406 -1.378 1.00 0.00 O ATOM 260 CB LEU A 20 -5.357 -1.452 -1.131 1.00 0.00 C ATOM 261 CG LEU A 20 -4.863 -0.244 -1.927 1.00 0.00 C ATOM 262 CD1 LEU A 20 -3.831 0.537 -1.129 1.00 0.00 C ATOM 263 CD2 LEU A 20 -4.283 -0.686 -3.263 1.00 0.00 C ATOM 0 H LEU A 20 -7.441 -0.138 -1.021 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.683 -2.255 -2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.419 -1.169 -0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.609 -2.241 -1.205 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.713 0.410 -2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.492 1.393 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.279 0.887 -0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.982 -0.108 -0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.936 0.187 -3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.446 -1.362 -3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.051 -1.200 -3.841 1.00 0.00 H new ATOM 275 N LYS A 21 -7.193 -3.201 0.512 1.00 0.00 N ATOM 276 CA LYS A 21 -7.470 -4.359 1.354 1.00 0.00 C ATOM 277 C LYS A 21 -8.595 -5.204 0.763 1.00 0.00 C ATOM 278 O LYS A 21 -8.550 -6.434 0.811 1.00 0.00 O ATOM 279 CB LYS A 21 -7.844 -3.910 2.768 1.00 0.00 C ATOM 280 CG LYS A 21 -7.749 -5.017 3.803 1.00 0.00 C ATOM 281 CD LYS A 21 -8.220 -4.546 5.169 1.00 0.00 C ATOM 282 CE LYS A 21 -9.717 -4.275 5.180 1.00 0.00 C ATOM 283 NZ LYS A 21 -10.489 -5.407 4.596 1.00 0.00 N ATOM 0 H LYS A 21 -7.177 -2.312 1.011 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.567 -4.968 1.400 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.190 -3.090 3.065 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.861 -3.519 2.759 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.351 -5.868 3.483 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.718 -5.364 3.872 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.980 -5.301 5.918 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.683 -3.639 5.447 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.047 -4.100 6.204 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.926 -3.365 4.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.473 -5.364 4.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.471 -5.341 3.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.062 -6.308 4.893 1.00 0.00 H new ATOM 297 N ASP A 22 -9.600 -4.537 0.207 1.00 0.00 N ATOM 298 CA ASP A 22 -10.735 -5.227 -0.395 1.00 0.00 C ATOM 299 C ASP A 22 -10.263 -6.320 -1.348 1.00 0.00 C ATOM 300 O ASP A 22 -10.713 -7.464 -1.269 1.00 0.00 O ATOM 301 CB ASP A 22 -11.627 -4.233 -1.140 1.00 0.00 C ATOM 302 CG ASP A 22 -13.069 -4.694 -1.217 1.00 0.00 C ATOM 303 OD1 ASP A 22 -13.496 -5.458 -0.326 1.00 0.00 O ATOM 304 OD2 ASP A 22 -13.771 -4.290 -2.167 1.00 0.00 O ATOM 0 H ASP A 22 -9.652 -3.519 0.161 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.312 -5.692 0.405 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.584 -3.265 -0.640 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.241 -4.088 -2.149 1.00 0.00 H new ATOM 309 N ILE A 23 -9.355 -5.960 -2.250 1.00 0.00 N ATOM 310 CA ILE A 23 -8.823 -6.911 -3.218 1.00 0.00 C ATOM 311 C ILE A 23 -7.993 -7.989 -2.531 1.00 0.00 C ATOM 312 O ILE A 23 -8.240 -9.183 -2.704 1.00 0.00 O ATOM 313 CB ILE A 23 -7.954 -6.207 -4.278 1.00 0.00 C ATOM 314 CG1 ILE A 23 -8.837 -5.445 -5.269 1.00 0.00 C ATOM 315 CG2 ILE A 23 -7.084 -7.220 -5.006 1.00 0.00 C ATOM 316 CD1 ILE A 23 -8.053 -4.629 -6.272 1.00 0.00 C ATOM 0 H ILE A 23 -8.973 -5.018 -2.330 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.679 -7.374 -3.709 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.303 -5.491 -3.776 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.466 -6.156 -5.804 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.503 -4.783 -4.715 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.476 -6.708 -5.752 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.434 -7.722 -4.290 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.718 -7.957 -5.499 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.743 -4.116 -6.942 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.444 -3.894 -5.746 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.407 -5.288 -6.851 1.00 0.00 H new ATOM 328 N LEU A 24 -7.007 -7.561 -1.750 1.00 0.00 N ATOM 329 CA LEU A 24 -6.140 -8.490 -1.033 1.00 0.00 C ATOM 330 C LEU A 24 -6.944 -9.342 -0.056 1.00 0.00 C ATOM 331 O LEU A 24 -6.447 -10.337 0.469 1.00 0.00 O ATOM 332 CB LEU A 24 -5.049 -7.725 -0.283 1.00 0.00 C ATOM 333 CG LEU A 24 -4.214 -6.754 -1.119 1.00 0.00 C ATOM 334 CD1 LEU A 24 -3.260 -5.970 -0.231 1.00 0.00 C ATOM 335 CD2 LEU A 24 -3.448 -7.503 -2.199 1.00 0.00 C ATOM 0 H LEU A 24 -6.788 -6.577 -1.597 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.674 -9.151 -1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.517 -7.166 0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.376 -8.449 0.176 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.888 -6.048 -1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.674 -5.284 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.831 -5.403 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.591 -6.660 0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.859 -6.796 -2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.784 -8.232 -1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.151 -8.018 -2.853 1.00 0.00 H new ATOM 347 N MET A 25 -8.190 -8.944 0.181 1.00 0.00 N ATOM 348 CA MET A 25 -9.064 -9.674 1.093 1.00 0.00 C ATOM 349 C MET A 25 -9.706 -10.867 0.392 1.00 0.00 C ATOM 350 O MET A 25 -9.779 -11.962 0.950 1.00 0.00 O ATOM 351 CB MET A 25 -10.148 -8.746 1.645 1.00 0.00 C ATOM 352 CG MET A 25 -9.749 -8.041 2.931 1.00 0.00 C ATOM 353 SD MET A 25 -10.022 -9.059 4.394 1.00 0.00 S ATOM 354 CE MET A 25 -8.350 -9.211 5.017 1.00 0.00 C ATOM 0 H MET A 25 -8.617 -8.121 -0.245 1.00 0.00 H new ATOM 0 HA MET A 25 -8.458 -10.045 1.920 1.00 0.00 H new ATOM 0 HB2 MET A 25 -10.392 -7.998 0.891 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.054 -9.325 1.824 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.696 -7.764 2.877 1.00 0.00 H new ATOM 0 HG3 MET A 25 -10.318 -7.116 3.025 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.321 -9.967 5.802 1.00 0.00 H new ATOM 0 HE2 MET A 25 -7.685 -9.505 4.205 1.00 0.00 H new ATOM 0 HE3 MET A 25 -8.025 -8.253 5.424 1.00 0.00 H new ATOM 364 N LYS A 26 -10.172 -10.648 -0.833 1.00 0.00 N ATOM 365 CA LYS A 26 -10.807 -11.704 -1.611 1.00 0.00 C ATOM 366 C LYS A 26 -9.765 -12.547 -2.338 1.00 0.00 C ATOM 367 O LYS A 26 -10.021 -13.697 -2.695 1.00 0.00 O ATOM 368 CB LYS A 26 -11.788 -11.103 -2.620 1.00 0.00 C ATOM 369 CG LYS A 26 -11.116 -10.548 -3.864 1.00 0.00 C ATOM 370 CD LYS A 26 -10.937 -11.619 -4.927 1.00 0.00 C ATOM 371 CE LYS A 26 -12.140 -11.689 -5.855 1.00 0.00 C ATOM 372 NZ LYS A 26 -12.180 -10.538 -6.799 1.00 0.00 N ATOM 0 H LYS A 26 -10.121 -9.747 -1.309 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.353 -12.349 -0.923 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.506 -11.868 -2.916 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.352 -10.306 -2.135 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.714 -9.730 -4.267 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.144 -10.132 -3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.039 -11.410 -5.509 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.788 -12.587 -4.448 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.109 -12.621 -6.420 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.055 -11.705 -5.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.849 -10.743 -7.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.487 -9.683 -6.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.232 -10.383 -7.197 1.00 0.00 H new ATOM 386 N ARG A 27 -8.588 -11.968 -2.554 1.00 0.00 N ATOM 387 CA ARG A 27 -7.507 -12.666 -3.238 1.00 0.00 C ATOM 388 C ARG A 27 -6.778 -13.608 -2.284 1.00 0.00 C ATOM 389 O ARG A 27 -6.221 -14.624 -2.703 1.00 0.00 O ATOM 390 CB ARG A 27 -6.519 -11.661 -3.834 1.00 0.00 C ATOM 391 CG ARG A 27 -7.116 -10.799 -4.934 1.00 0.00 C ATOM 392 CD ARG A 27 -7.328 -11.594 -6.212 1.00 0.00 C ATOM 393 NE ARG A 27 -6.143 -11.584 -7.066 1.00 0.00 N ATOM 394 CZ ARG A 27 -6.121 -12.077 -8.299 1.00 0.00 C ATOM 395 NH1 ARG A 27 -7.214 -12.617 -8.820 1.00 0.00 N ATOM 396 NH2 ARG A 27 -5.004 -12.031 -9.014 1.00 0.00 N ATOM 0 H ARG A 27 -8.359 -11.017 -2.265 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.943 -13.258 -4.043 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.147 -11.015 -3.039 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.661 -12.201 -4.233 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.068 -10.387 -4.599 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.456 -9.955 -5.135 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.585 -12.623 -5.960 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.174 -11.179 -6.761 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.285 -11.176 -6.695 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.075 -12.655 -8.274 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.194 -12.995 -9.767 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.161 -11.617 -8.617 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.989 -12.410 -9.961 1.00 0.00 H new ATOM 410 N LEU A 28 -6.786 -13.264 -1.001 1.00 0.00 N ATOM 411 CA LEU A 28 -6.125 -14.078 0.013 1.00 0.00 C ATOM 412 C LEU A 28 -7.057 -15.172 0.525 1.00 0.00 C ATOM 413 O LEU A 28 -6.626 -16.292 0.802 1.00 0.00 O ATOM 414 CB LEU A 28 -5.661 -13.201 1.177 1.00 0.00 C ATOM 415 CG LEU A 28 -6.699 -12.927 2.266 1.00 0.00 C ATOM 416 CD1 LEU A 28 -6.892 -14.156 3.141 1.00 0.00 C ATOM 417 CD2 LEU A 28 -6.284 -11.730 3.109 1.00 0.00 C ATOM 0 H LEU A 28 -7.243 -12.427 -0.638 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.257 -14.551 -0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.795 -13.674 1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.325 -12.245 0.774 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.649 -12.696 1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.634 -13.942 3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.235 -14.989 2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.945 -14.419 3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.034 -11.550 3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.322 -11.933 3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.198 -10.849 2.473 1.00 0.00 H new ATOM 429 N THR A 29 -8.339 -14.841 0.648 1.00 0.00 N ATOM 430 CA THR A 29 -9.332 -15.794 1.125 1.00 0.00 C ATOM 431 C THR A 29 -9.628 -16.855 0.071 1.00 0.00 C ATOM 432 O THR A 29 -10.088 -17.951 0.391 1.00 0.00 O ATOM 433 CB THR A 29 -10.647 -15.090 1.511 1.00 0.00 C ATOM 434 OG1 THR A 29 -11.434 -15.945 2.347 1.00 0.00 O ATOM 435 CG2 THR A 29 -11.442 -14.712 0.271 1.00 0.00 C ATOM 0 H THR A 29 -8.713 -13.919 0.423 1.00 0.00 H new ATOM 0 HA THR A 29 -8.911 -16.272 2.009 1.00 0.00 H new ATOM 0 HB THR A 29 -10.399 -14.179 2.056 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.267 -15.489 2.589 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.366 -14.216 0.568 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.851 -14.037 -0.348 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.679 -15.611 -0.297 1.00 0.00 H new ATOM 443 N ASP A 30 -9.360 -16.522 -1.187 1.00 0.00 N ATOM 444 CA ASP A 30 -9.596 -17.448 -2.289 1.00 0.00 C ATOM 445 C ASP A 30 -8.345 -18.267 -2.588 1.00 0.00 C ATOM 446 O ASP A 30 -8.419 -19.478 -2.799 1.00 0.00 O ATOM 447 CB ASP A 30 -10.031 -16.684 -3.541 1.00 0.00 C ATOM 448 CG ASP A 30 -10.873 -17.532 -4.473 1.00 0.00 C ATOM 449 OD1 ASP A 30 -12.097 -17.626 -4.247 1.00 0.00 O ATOM 450 OD2 ASP A 30 -10.308 -18.102 -5.430 1.00 0.00 O ATOM 0 H ASP A 30 -8.980 -15.619 -1.469 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.393 -18.130 -1.993 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.598 -15.801 -3.246 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.148 -16.332 -4.073 1.00 0.00 H new ATOM 455 N SER A 31 -7.196 -17.599 -2.606 1.00 0.00 N ATOM 456 CA SER A 31 -5.929 -18.264 -2.884 1.00 0.00 C ATOM 457 C SER A 31 -5.566 -19.233 -1.762 1.00 0.00 C ATOM 458 O SER A 31 -6.313 -19.389 -0.797 1.00 0.00 O ATOM 459 CB SER A 31 -4.814 -17.231 -3.060 1.00 0.00 C ATOM 460 OG SER A 31 -3.728 -17.772 -3.793 1.00 0.00 O ATOM 0 H SER A 31 -7.117 -16.597 -2.431 1.00 0.00 H new ATOM 0 HA SER A 31 -6.040 -18.830 -3.809 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.205 -16.354 -3.577 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.466 -16.897 -2.083 1.00 0.00 H new ATOM 0 HG SER A 31 -3.030 -17.092 -3.893 1.00 0.00 H new ATOM 466 N ASN A 32 -4.414 -19.882 -1.899 1.00 0.00 N ATOM 467 CA ASN A 32 -3.952 -20.837 -0.898 1.00 0.00 C ATOM 468 C ASN A 32 -3.198 -20.128 0.223 1.00 0.00 C ATOM 469 O ASN A 32 -2.275 -20.687 0.817 1.00 0.00 O ATOM 470 CB ASN A 32 -3.051 -21.890 -1.546 1.00 0.00 C ATOM 471 CG ASN A 32 -3.754 -22.648 -2.656 1.00 0.00 C ATOM 472 OD1 ASN A 32 -4.984 -22.691 -2.711 1.00 0.00 O ATOM 473 ND2 ASN A 32 -2.975 -23.251 -3.546 1.00 0.00 N ATOM 0 H ASN A 32 -3.784 -19.764 -2.692 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.826 -21.329 -0.470 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -2.161 -21.405 -1.948 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -2.715 -22.594 -0.785 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -3.391 -23.777 -4.315 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.960 -23.189 -3.461 1.00 0.00 H new ATOM 480 N LEU A 33 -3.598 -18.893 0.509 1.00 0.00 N ATOM 481 CA LEU A 33 -2.961 -18.107 1.560 1.00 0.00 C ATOM 482 C LEU A 33 -3.709 -18.256 2.880 1.00 0.00 C ATOM 483 O LEU A 33 -4.930 -18.414 2.900 1.00 0.00 O ATOM 484 CB LEU A 33 -2.904 -16.632 1.156 1.00 0.00 C ATOM 485 CG LEU A 33 -1.943 -16.285 0.018 1.00 0.00 C ATOM 486 CD1 LEU A 33 -2.350 -14.977 -0.643 1.00 0.00 C ATOM 487 CD2 LEU A 33 -0.514 -16.202 0.533 1.00 0.00 C ATOM 0 H LEU A 33 -4.360 -18.415 0.028 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.946 -18.480 1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.906 -16.316 0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.625 -16.046 2.032 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.993 -17.077 -0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.655 -14.746 -1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.358 -15.072 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.329 -14.175 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.156 -15.954 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.448 -15.430 1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.225 -17.162 0.960 1.00 0.00 H new ATOM 499 N LYS A 34 -2.970 -18.202 3.983 1.00 0.00 N ATOM 500 CA LYS A 34 -3.562 -18.327 5.309 1.00 0.00 C ATOM 501 C LYS A 34 -3.173 -17.146 6.192 1.00 0.00 C ATOM 502 O LYS A 34 -3.366 -17.177 7.408 1.00 0.00 O ATOM 503 CB LYS A 34 -3.120 -19.636 5.966 1.00 0.00 C ATOM 504 CG LYS A 34 -1.621 -19.874 5.901 1.00 0.00 C ATOM 505 CD LYS A 34 -1.294 -21.356 5.829 1.00 0.00 C ATOM 506 CE LYS A 34 -1.110 -21.954 7.216 1.00 0.00 C ATOM 507 NZ LYS A 34 -0.338 -23.227 7.173 1.00 0.00 N ATOM 0 H LYS A 34 -1.958 -18.072 3.984 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.646 -18.332 5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.434 -19.633 7.010 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.633 -20.467 5.482 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.209 -19.367 5.029 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.144 -19.438 6.779 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.094 -21.881 5.308 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.385 -21.501 5.245 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.594 -21.238 7.855 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.086 -22.136 7.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.234 -23.603 8.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.843 -23.920 6.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.603 -23.049 6.768 1.00 0.00 H new ATOM 521 N VAL A 35 -2.625 -16.105 5.573 1.00 0.00 N ATOM 522 CA VAL A 35 -2.211 -14.912 6.303 1.00 0.00 C ATOM 523 C VAL A 35 -3.399 -14.251 6.994 1.00 0.00 C ATOM 524 O VAL A 35 -4.530 -14.290 6.510 1.00 0.00 O ATOM 525 CB VAL A 35 -1.539 -13.888 5.370 1.00 0.00 C ATOM 526 CG1 VAL A 35 -0.519 -14.572 4.473 1.00 0.00 C ATOM 527 CG2 VAL A 35 -2.584 -13.157 4.541 1.00 0.00 C ATOM 0 H VAL A 35 -2.457 -16.064 4.568 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.490 -15.235 7.055 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.015 -13.154 5.982 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.054 -13.833 3.821 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.246 -15.046 5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.017 -15.329 3.867 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.091 -12.437 3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.138 -13.876 3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.273 -12.633 5.204 1.00 0.00 H new ATOM 537 N PRO A 36 -3.138 -13.629 8.153 1.00 0.00 N ATOM 538 CA PRO A 36 -4.172 -12.946 8.935 1.00 0.00 C ATOM 539 C PRO A 36 -4.671 -11.677 8.254 1.00 0.00 C ATOM 540 O PRO A 36 -3.962 -11.075 7.448 1.00 0.00 O ATOM 541 CB PRO A 36 -3.458 -12.604 10.246 1.00 0.00 C ATOM 542 CG PRO A 36 -2.015 -12.532 9.883 1.00 0.00 C ATOM 543 CD PRO A 36 -1.812 -13.544 8.789 1.00 0.00 C ATOM 0 HA PRO A 36 -5.059 -13.566 9.066 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.811 -11.657 10.654 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.638 -13.365 11.005 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.748 -11.531 9.543 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.385 -12.756 10.744 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.047 -13.223 8.082 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.495 -14.508 9.187 1.00 0.00 H new ATOM 551 N GLU A 37 -5.896 -11.276 8.582 1.00 0.00 N ATOM 552 CA GLU A 37 -6.488 -10.078 8.000 1.00 0.00 C ATOM 553 C GLU A 37 -5.564 -8.876 8.171 1.00 0.00 C ATOM 554 O GLU A 37 -5.480 -8.016 7.294 1.00 0.00 O ATOM 555 CB GLU A 37 -7.845 -9.788 8.646 1.00 0.00 C ATOM 556 CG GLU A 37 -8.325 -8.361 8.439 1.00 0.00 C ATOM 557 CD GLU A 37 -7.801 -7.410 9.498 1.00 0.00 C ATOM 558 OE1 GLU A 37 -7.614 -7.850 10.651 1.00 0.00 O ATOM 559 OE2 GLU A 37 -7.578 -6.225 9.172 1.00 0.00 O ATOM 0 H GLU A 37 -6.497 -11.763 9.247 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.631 -10.255 6.934 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.587 -10.475 8.238 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.779 -9.989 9.715 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.008 -8.014 7.456 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.415 -8.343 8.447 1.00 0.00 H new ATOM 566 N GLU A 38 -4.874 -8.824 9.306 1.00 0.00 N ATOM 567 CA GLU A 38 -3.957 -7.726 9.592 1.00 0.00 C ATOM 568 C GLU A 38 -2.992 -7.507 8.430 1.00 0.00 C ATOM 569 O GLU A 38 -2.883 -6.401 7.899 1.00 0.00 O ATOM 570 CB GLU A 38 -3.173 -8.009 10.875 1.00 0.00 C ATOM 571 CG GLU A 38 -3.910 -7.606 12.140 1.00 0.00 C ATOM 572 CD GLU A 38 -3.476 -8.411 13.350 1.00 0.00 C ATOM 573 OE1 GLU A 38 -3.593 -9.654 13.307 1.00 0.00 O ATOM 574 OE2 GLU A 38 -3.020 -7.800 14.338 1.00 0.00 O ATOM 0 H GLU A 38 -4.932 -9.528 10.042 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.546 -6.819 9.728 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.942 -9.073 10.922 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.222 -7.478 10.834 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.740 -6.547 12.333 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.982 -7.735 11.988 1.00 0.00 H new ATOM 581 N LYS A 39 -2.294 -8.567 8.040 1.00 0.00 N ATOM 582 CA LYS A 39 -1.338 -8.493 6.942 1.00 0.00 C ATOM 583 C LYS A 39 -1.894 -7.660 5.792 1.00 0.00 C ATOM 584 O LYS A 39 -1.255 -6.713 5.334 1.00 0.00 O ATOM 585 CB LYS A 39 -0.990 -9.899 6.446 1.00 0.00 C ATOM 586 CG LYS A 39 -0.179 -9.907 5.161 1.00 0.00 C ATOM 587 CD LYS A 39 1.309 -9.778 5.441 1.00 0.00 C ATOM 588 CE LYS A 39 1.747 -8.322 5.470 1.00 0.00 C ATOM 589 NZ LYS A 39 2.950 -8.121 6.324 1.00 0.00 N ATOM 0 H LYS A 39 -2.372 -9.489 8.469 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.433 -8.011 7.313 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.430 -10.421 7.222 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.912 -10.458 6.287 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.369 -10.831 4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.502 -9.087 4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.543 -10.248 6.396 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.872 -10.313 4.676 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.962 -7.987 4.455 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.930 -7.704 5.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.216 -7.116 6.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.737 -8.416 7.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.738 -8.690 5.954 1.00 0.00 H new ATOM 603 N ALA A 40 -3.088 -8.017 5.331 1.00 0.00 N ATOM 604 CA ALA A 40 -3.731 -7.300 4.238 1.00 0.00 C ATOM 605 C ALA A 40 -3.817 -5.807 4.536 1.00 0.00 C ATOM 606 O ALA A 40 -3.328 -4.982 3.765 1.00 0.00 O ATOM 607 CB ALA A 40 -5.119 -7.868 3.977 1.00 0.00 C ATOM 0 H ALA A 40 -3.630 -8.799 5.698 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.122 -7.431 3.343 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.587 -7.322 3.158 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.037 -8.922 3.711 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.728 -7.767 4.875 1.00 0.00 H new ATOM 613 N ALA A 41 -4.442 -5.467 5.658 1.00 0.00 N ATOM 614 CA ALA A 41 -4.590 -4.073 6.058 1.00 0.00 C ATOM 615 C ALA A 41 -3.233 -3.388 6.174 1.00 0.00 C ATOM 616 O ALA A 41 -2.921 -2.472 5.413 1.00 0.00 O ATOM 617 CB ALA A 41 -5.345 -3.980 7.376 1.00 0.00 C ATOM 0 H ALA A 41 -4.854 -6.138 6.306 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.162 -3.558 5.287 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.448 -2.934 7.663 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.334 -4.424 7.261 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.794 -4.516 8.149 1.00 0.00 H new ATOM 623 N LYS A 42 -2.429 -3.837 7.132 1.00 0.00 N ATOM 624 CA LYS A 42 -1.104 -3.268 7.348 1.00 0.00 C ATOM 625 C LYS A 42 -0.462 -2.865 6.025 1.00 0.00 C ATOM 626 O LYS A 42 -0.128 -1.699 5.815 1.00 0.00 O ATOM 627 CB LYS A 42 -0.208 -4.273 8.076 1.00 0.00 C ATOM 628 CG LYS A 42 -0.623 -4.528 9.515 1.00 0.00 C ATOM 629 CD LYS A 42 0.129 -5.706 10.112 1.00 0.00 C ATOM 630 CE LYS A 42 0.279 -5.565 11.619 1.00 0.00 C ATOM 631 NZ LYS A 42 1.172 -4.431 11.984 1.00 0.00 N ATOM 0 H LYS A 42 -2.672 -4.594 7.771 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.215 -2.376 7.964 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.218 -5.217 7.531 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.819 -3.908 8.062 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.436 -3.635 10.112 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.695 -4.721 9.557 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.400 -6.631 9.883 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.115 -5.781 9.652 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.702 -5.414 12.069 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.680 -6.491 12.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.587 -4.604 12.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.932 -4.347 11.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.621 -3.549 12.007 1.00 0.00 H new ATOM 645 N VAL A 43 -0.294 -3.836 5.133 1.00 0.00 N ATOM 646 CA VAL A 43 0.305 -3.581 3.828 1.00 0.00 C ATOM 647 C VAL A 43 -0.406 -2.439 3.111 1.00 0.00 C ATOM 648 O VAL A 43 0.228 -1.484 2.663 1.00 0.00 O ATOM 649 CB VAL A 43 0.264 -4.837 2.937 1.00 0.00 C ATOM 650 CG1 VAL A 43 0.866 -4.542 1.572 1.00 0.00 C ATOM 651 CG2 VAL A 43 0.990 -5.992 3.611 1.00 0.00 C ATOM 0 H VAL A 43 -0.564 -4.807 5.290 1.00 0.00 H new ATOM 0 HA VAL A 43 1.344 -3.304 4.005 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.777 -5.127 2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.829 -5.440 0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.299 -3.747 1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.903 -4.227 1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.951 -6.871 2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.030 -5.716 3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.510 -6.218 4.563 1.00 0.00 H new ATOM 661 N ALA A 44 -1.726 -2.544 3.006 1.00 0.00 N ATOM 662 CA ALA A 44 -2.524 -1.519 2.346 1.00 0.00 C ATOM 663 C ALA A 44 -2.257 -0.143 2.947 1.00 0.00 C ATOM 664 O ALA A 44 -2.180 0.855 2.230 1.00 0.00 O ATOM 665 CB ALA A 44 -4.004 -1.860 2.440 1.00 0.00 C ATOM 0 H ALA A 44 -2.266 -3.329 3.370 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.235 -1.490 1.295 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.588 -1.086 1.943 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.188 -2.820 1.957 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.298 -1.919 3.488 1.00 0.00 H new ATOM 671 N THR A 45 -2.116 -0.097 4.268 1.00 0.00 N ATOM 672 CA THR A 45 -1.859 1.157 4.965 1.00 0.00 C ATOM 673 C THR A 45 -0.516 1.749 4.555 1.00 0.00 C ATOM 674 O THR A 45 -0.339 2.967 4.547 1.00 0.00 O ATOM 675 CB THR A 45 -1.877 0.963 6.493 1.00 0.00 C ATOM 676 OG1 THR A 45 -3.211 0.693 6.938 1.00 0.00 O ATOM 677 CG2 THR A 45 -1.341 2.198 7.202 1.00 0.00 C ATOM 0 H THR A 45 -2.175 -0.913 4.876 1.00 0.00 H new ATOM 0 HA THR A 45 -2.656 1.845 4.684 1.00 0.00 H new ATOM 0 HB THR A 45 -1.235 0.116 6.736 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.213 0.569 7.910 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.364 2.037 8.280 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.315 2.383 6.884 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.960 3.059 6.951 1.00 0.00 H new ATOM 685 N LYS A 46 0.429 0.880 4.213 1.00 0.00 N ATOM 686 CA LYS A 46 1.757 1.316 3.799 1.00 0.00 C ATOM 687 C LYS A 46 1.722 1.906 2.393 1.00 0.00 C ATOM 688 O LYS A 46 2.363 2.922 2.120 1.00 0.00 O ATOM 689 CB LYS A 46 2.740 0.144 3.848 1.00 0.00 C ATOM 690 CG LYS A 46 3.433 -0.014 5.190 1.00 0.00 C ATOM 691 CD LYS A 46 2.534 -0.702 6.204 1.00 0.00 C ATOM 692 CE LYS A 46 3.272 -0.977 7.506 1.00 0.00 C ATOM 693 NZ LYS A 46 3.423 0.255 8.328 1.00 0.00 N ATOM 0 H LYS A 46 0.299 -0.132 4.214 1.00 0.00 H new ATOM 0 HA LYS A 46 2.090 2.090 4.491 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.206 -0.777 3.614 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.494 0.281 3.073 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.348 -0.592 5.062 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.725 0.966 5.567 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.663 -0.077 6.403 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.165 -1.640 5.788 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.731 -1.731 8.078 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.257 -1.389 7.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.931 0.026 9.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.961 0.966 7.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.483 0.635 8.560 1.00 0.00 H new ATOM 707 N ILE A 47 0.970 1.264 1.505 1.00 0.00 N ATOM 708 CA ILE A 47 0.850 1.727 0.129 1.00 0.00 C ATOM 709 C ILE A 47 0.735 3.247 0.068 1.00 0.00 C ATOM 710 O ILE A 47 1.581 3.920 -0.520 1.00 0.00 O ATOM 711 CB ILE A 47 -0.371 1.103 -0.571 1.00 0.00 C ATOM 712 CG1 ILE A 47 -0.341 -0.421 -0.434 1.00 0.00 C ATOM 713 CG2 ILE A 47 -0.406 1.508 -2.037 1.00 0.00 C ATOM 714 CD1 ILE A 47 0.960 -1.043 -0.890 1.00 0.00 C ATOM 0 H ILE A 47 0.435 0.421 1.715 1.00 0.00 H new ATOM 0 HA ILE A 47 1.756 1.412 -0.389 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.276 1.475 -0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.516 -0.688 0.608 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.160 -0.846 -1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.275 1.059 -2.518 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.470 2.593 -2.113 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.502 1.162 -2.532 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.910 -2.125 -0.764 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.127 -0.807 -1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.782 -0.646 -0.294 1.00 0.00 H new ATOM 726 N GLU A 48 -0.317 3.780 0.682 1.00 0.00 N ATOM 727 CA GLU A 48 -0.541 5.221 0.698 1.00 0.00 C ATOM 728 C GLU A 48 0.583 5.938 1.439 1.00 0.00 C ATOM 729 O GLU A 48 1.104 6.951 0.971 1.00 0.00 O ATOM 730 CB GLU A 48 -1.886 5.542 1.355 1.00 0.00 C ATOM 731 CG GLU A 48 -3.085 5.081 0.543 1.00 0.00 C ATOM 732 CD GLU A 48 -2.919 3.673 0.006 1.00 0.00 C ATOM 733 OE1 GLU A 48 -3.084 2.716 0.791 1.00 0.00 O ATOM 734 OE2 GLU A 48 -2.624 3.528 -1.199 1.00 0.00 O ATOM 0 H GLU A 48 -1.026 3.237 1.174 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.555 5.573 -0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.922 5.073 2.338 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.956 6.618 1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.979 5.126 1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.241 5.767 -0.289 1.00 0.00 H new ATOM 741 N LYS A 49 0.953 5.407 2.599 1.00 0.00 N ATOM 742 CA LYS A 49 2.016 5.994 3.406 1.00 0.00 C ATOM 743 C LYS A 49 3.208 6.381 2.537 1.00 0.00 C ATOM 744 O LYS A 49 3.838 7.415 2.758 1.00 0.00 O ATOM 745 CB LYS A 49 2.461 5.012 4.493 1.00 0.00 C ATOM 746 CG LYS A 49 3.518 5.577 5.427 1.00 0.00 C ATOM 747 CD LYS A 49 4.041 4.517 6.382 1.00 0.00 C ATOM 748 CE LYS A 49 4.688 5.142 7.608 1.00 0.00 C ATOM 749 NZ LYS A 49 3.849 6.230 8.184 1.00 0.00 N ATOM 0 H LYS A 49 0.532 4.570 3.002 1.00 0.00 H new ATOM 0 HA LYS A 49 1.625 6.895 3.877 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.592 4.714 5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.851 4.111 4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.344 5.980 4.842 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.097 6.405 5.997 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.221 3.869 6.692 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.767 3.888 5.867 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.854 4.373 8.363 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.666 5.541 7.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.070 6.341 9.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.047 7.122 7.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.843 5.988 8.074 1.00 0.00 H new ATOM 763 N GLU A 50 3.511 5.546 1.549 1.00 0.00 N ATOM 764 CA GLU A 50 4.627 5.803 0.647 1.00 0.00 C ATOM 765 C GLU A 50 4.176 6.626 -0.557 1.00 0.00 C ATOM 766 O GLU A 50 4.858 7.563 -0.973 1.00 0.00 O ATOM 767 CB GLU A 50 5.245 4.485 0.175 1.00 0.00 C ATOM 768 CG GLU A 50 6.660 4.632 -0.359 1.00 0.00 C ATOM 769 CD GLU A 50 7.699 4.669 0.745 1.00 0.00 C ATOM 770 OE1 GLU A 50 7.649 3.796 1.636 1.00 0.00 O ATOM 771 OE2 GLU A 50 8.562 5.571 0.717 1.00 0.00 O ATOM 0 H GLU A 50 2.999 4.686 1.353 1.00 0.00 H new ATOM 0 HA GLU A 50 5.378 6.373 1.194 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.251 3.779 1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.615 4.056 -0.604 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.879 3.802 -1.031 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.729 5.546 -0.948 1.00 0.00 H new ATOM 778 N LEU A 51 3.023 6.269 -1.111 1.00 0.00 N ATOM 779 CA LEU A 51 2.480 6.973 -2.267 1.00 0.00 C ATOM 780 C LEU A 51 2.277 8.452 -1.958 1.00 0.00 C ATOM 781 O LEU A 51 2.886 9.318 -2.586 1.00 0.00 O ATOM 782 CB LEU A 51 1.153 6.343 -2.696 1.00 0.00 C ATOM 783 CG LEU A 51 0.789 6.484 -4.174 1.00 0.00 C ATOM 784 CD1 LEU A 51 1.653 5.567 -5.026 1.00 0.00 C ATOM 785 CD2 LEU A 51 -0.686 6.183 -4.391 1.00 0.00 C ATOM 0 H LEU A 51 2.446 5.496 -0.778 1.00 0.00 H new ATOM 0 HA LEU A 51 3.197 6.887 -3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.181 5.282 -2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.354 6.787 -2.102 1.00 0.00 H new ATOM 0 HG LEU A 51 0.978 7.514 -4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.380 5.681 -6.075 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.703 5.830 -4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.497 4.532 -4.721 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.927 6.288 -5.449 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.900 5.164 -4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.289 6.881 -3.810 1.00 0.00 H new ATOM 797 N PHE A 52 1.417 8.736 -0.985 1.00 0.00 N ATOM 798 CA PHE A 52 1.134 10.111 -0.591 1.00 0.00 C ATOM 799 C PHE A 52 2.426 10.870 -0.300 1.00 0.00 C ATOM 800 O PHE A 52 2.481 12.093 -0.423 1.00 0.00 O ATOM 801 CB PHE A 52 0.227 10.135 0.642 1.00 0.00 C ATOM 802 CG PHE A 52 -0.076 11.520 1.136 1.00 0.00 C ATOM 803 CD1 PHE A 52 -0.851 12.385 0.381 1.00 0.00 C ATOM 804 CD2 PHE A 52 0.414 11.957 2.356 1.00 0.00 C ATOM 805 CE1 PHE A 52 -1.133 13.661 0.833 1.00 0.00 C ATOM 806 CE2 PHE A 52 0.136 13.231 2.814 1.00 0.00 C ATOM 807 CZ PHE A 52 -0.638 14.084 2.051 1.00 0.00 C ATOM 0 H PHE A 52 0.904 8.032 -0.455 1.00 0.00 H new ATOM 0 HA PHE A 52 0.623 10.602 -1.419 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.709 9.630 0.404 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.701 9.568 1.443 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.240 12.059 -0.572 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.020 11.294 2.956 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.739 14.325 0.235 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.523 13.559 3.767 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.856 15.080 2.407 1.00 0.00 H new ATOM 817 N SER A 53 3.463 10.134 0.087 1.00 0.00 N ATOM 818 CA SER A 53 4.753 10.737 0.400 1.00 0.00 C ATOM 819 C SER A 53 5.558 10.988 -0.871 1.00 0.00 C ATOM 820 O SER A 53 6.382 11.902 -0.928 1.00 0.00 O ATOM 821 CB SER A 53 5.545 9.835 1.349 1.00 0.00 C ATOM 822 OG SER A 53 5.151 10.040 2.695 1.00 0.00 O ATOM 0 H SER A 53 3.435 9.120 0.191 1.00 0.00 H new ATOM 0 HA SER A 53 4.570 11.694 0.888 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.391 8.791 1.077 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.611 10.038 1.244 1.00 0.00 H new ATOM 0 HG SER A 53 4.649 9.260 3.011 1.00 0.00 H new ATOM 828 N PHE A 54 5.315 10.169 -1.889 1.00 0.00 N ATOM 829 CA PHE A 54 6.017 10.300 -3.161 1.00 0.00 C ATOM 830 C PHE A 54 5.392 11.398 -4.016 1.00 0.00 C ATOM 831 O PHE A 54 6.087 12.283 -4.517 1.00 0.00 O ATOM 832 CB PHE A 54 5.994 8.972 -3.919 1.00 0.00 C ATOM 833 CG PHE A 54 6.720 9.019 -5.233 1.00 0.00 C ATOM 834 CD1 PHE A 54 6.225 9.770 -6.287 1.00 0.00 C ATOM 835 CD2 PHE A 54 7.899 8.313 -5.415 1.00 0.00 C ATOM 836 CE1 PHE A 54 6.891 9.816 -7.497 1.00 0.00 C ATOM 837 CE2 PHE A 54 8.569 8.356 -6.622 1.00 0.00 C ATOM 838 CZ PHE A 54 8.064 9.107 -7.665 1.00 0.00 C ATOM 0 H PHE A 54 4.637 9.407 -1.858 1.00 0.00 H new ATOM 0 HA PHE A 54 7.051 10.572 -2.951 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.440 8.198 -3.294 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.958 8.681 -4.095 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.308 10.326 -6.161 1.00 0.00 H new ATOM 0 HD2 PHE A 54 8.298 7.723 -4.604 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.495 10.406 -8.310 1.00 0.00 H new ATOM 0 HE2 PHE A 54 9.487 7.802 -6.750 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.585 9.140 -8.610 1.00 0.00 H new ATOM 848 N PHE A 55 4.075 11.334 -4.181 1.00 0.00 N ATOM 849 CA PHE A 55 3.355 12.321 -4.978 1.00 0.00 C ATOM 850 C PHE A 55 3.143 13.609 -4.187 1.00 0.00 C ATOM 851 O PHE A 55 2.844 14.658 -4.757 1.00 0.00 O ATOM 852 CB PHE A 55 2.005 11.758 -5.427 1.00 0.00 C ATOM 853 CG PHE A 55 2.087 10.932 -6.679 1.00 0.00 C ATOM 854 CD1 PHE A 55 2.038 11.533 -7.927 1.00 0.00 C ATOM 855 CD2 PHE A 55 2.214 9.554 -6.608 1.00 0.00 C ATOM 856 CE1 PHE A 55 2.113 10.776 -9.080 1.00 0.00 C ATOM 857 CE2 PHE A 55 2.291 8.792 -7.759 1.00 0.00 C ATOM 858 CZ PHE A 55 2.239 9.403 -8.996 1.00 0.00 C ATOM 0 H PHE A 55 3.484 10.609 -3.774 1.00 0.00 H new ATOM 0 HA PHE A 55 3.957 12.550 -5.858 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.590 11.148 -4.625 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.312 12.583 -5.590 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.940 12.606 -7.999 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.253 9.070 -5.643 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.073 11.257 -10.046 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.392 7.719 -7.691 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.297 8.809 -9.896 1.00 0.00 H new ATOM 868 N ARG A 56 3.301 13.520 -2.870 1.00 0.00 N ATOM 869 CA ARG A 56 3.126 14.677 -2.000 1.00 0.00 C ATOM 870 C ARG A 56 1.813 15.393 -2.305 1.00 0.00 C ATOM 871 O ARG A 56 1.710 16.611 -2.158 1.00 0.00 O ATOM 872 CB ARG A 56 4.298 15.646 -2.163 1.00 0.00 C ATOM 873 CG ARG A 56 4.550 16.509 -0.937 1.00 0.00 C ATOM 874 CD ARG A 56 5.968 17.056 -0.922 1.00 0.00 C ATOM 875 NE ARG A 56 6.231 17.863 0.266 1.00 0.00 N ATOM 876 CZ ARG A 56 5.718 19.073 0.461 1.00 0.00 C ATOM 877 NH1 ARG A 56 4.919 19.612 -0.449 1.00 0.00 N ATOM 878 NH2 ARG A 56 6.004 19.746 1.568 1.00 0.00 N ATOM 0 H ARG A 56 3.550 12.659 -2.383 1.00 0.00 H new ATOM 0 HA ARG A 56 3.096 14.324 -0.969 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.200 15.077 -2.388 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.107 16.293 -3.019 1.00 0.00 H new ATOM 0 HG2 ARG A 56 3.840 17.336 -0.921 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.376 15.922 -0.035 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.676 16.228 -0.962 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.133 17.660 -1.814 1.00 0.00 H new ATOM 0 HE ARG A 56 6.842 17.477 0.986 1.00 0.00 H new ATOM 0 HH11 ARG A 56 4.697 19.098 -1.301 1.00 0.00 H new ATOM 0 HH12 ARG A 56 4.526 20.541 -0.297 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.618 19.335 2.271 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.610 20.675 1.716 1.00 0.00 H new ATOM 892 N ASP A 57 0.814 14.628 -2.731 1.00 0.00 N ATOM 893 CA ASP A 57 -0.492 15.189 -3.057 1.00 0.00 C ATOM 894 C ASP A 57 -1.494 14.084 -3.375 1.00 0.00 C ATOM 895 O ASP A 57 -1.113 12.968 -3.731 1.00 0.00 O ATOM 896 CB ASP A 57 -0.378 16.148 -4.243 1.00 0.00 C ATOM 897 CG ASP A 57 -1.499 17.169 -4.272 1.00 0.00 C ATOM 898 OD1 ASP A 57 -2.635 16.793 -4.628 1.00 0.00 O ATOM 899 OD2 ASP A 57 -1.239 18.344 -3.938 1.00 0.00 O ATOM 0 H ASP A 57 0.883 13.618 -2.859 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.850 15.740 -2.188 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.580 16.666 -4.197 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.387 15.576 -5.171 1.00 0.00 H new ATOM 904 N THR A 58 -2.779 14.400 -3.243 1.00 0.00 N ATOM 905 CA THR A 58 -3.836 13.434 -3.514 1.00 0.00 C ATOM 906 C THR A 58 -4.698 13.878 -4.690 1.00 0.00 C ATOM 907 O THR A 58 -5.919 13.725 -4.670 1.00 0.00 O ATOM 908 CB THR A 58 -4.736 13.227 -2.282 1.00 0.00 C ATOM 909 OG1 THR A 58 -5.024 14.487 -1.667 1.00 0.00 O ATOM 910 CG2 THR A 58 -4.068 12.305 -1.272 1.00 0.00 C ATOM 0 H THR A 58 -3.112 15.318 -2.950 1.00 0.00 H new ATOM 0 HA THR A 58 -3.348 12.491 -3.761 1.00 0.00 H new ATOM 0 HB THR A 58 -5.666 12.765 -2.613 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.976 14.528 -1.436 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.723 12.174 -0.410 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.878 11.336 -1.734 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.125 12.744 -0.947 1.00 0.00 H new ATOM 918 N ASP A 59 -4.055 14.428 -5.715 1.00 0.00 N ATOM 919 CA ASP A 59 -4.764 14.893 -6.902 1.00 0.00 C ATOM 920 C ASP A 59 -4.893 13.773 -7.930 1.00 0.00 C ATOM 921 O ASP A 59 -4.509 12.633 -7.672 1.00 0.00 O ATOM 922 CB ASP A 59 -4.038 16.089 -7.519 1.00 0.00 C ATOM 923 CG ASP A 59 -4.292 17.376 -6.759 1.00 0.00 C ATOM 924 OD1 ASP A 59 -5.436 17.579 -6.302 1.00 0.00 O ATOM 925 OD2 ASP A 59 -3.346 18.179 -6.621 1.00 0.00 O ATOM 0 H ASP A 59 -3.044 14.563 -5.748 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.765 15.202 -6.601 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.967 15.888 -7.540 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.360 16.212 -8.553 1.00 0.00 H new ATOM 930 N ALA A 60 -5.436 14.108 -9.096 1.00 0.00 N ATOM 931 CA ALA A 60 -5.615 13.132 -10.164 1.00 0.00 C ATOM 932 C ALA A 60 -4.404 12.212 -10.275 1.00 0.00 C ATOM 933 O ALA A 60 -4.506 11.004 -10.058 1.00 0.00 O ATOM 934 CB ALA A 60 -5.867 13.838 -11.488 1.00 0.00 C ATOM 0 H ALA A 60 -5.760 15.048 -9.325 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.483 12.519 -9.921 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.999 13.097 -12.276 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -6.767 14.448 -11.410 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.016 14.476 -11.728 1.00 0.00 H new ATOM 940 N LYS A 61 -3.256 12.790 -10.614 1.00 0.00 N ATOM 941 CA LYS A 61 -2.024 12.023 -10.754 1.00 0.00 C ATOM 942 C LYS A 61 -1.910 10.972 -9.654 1.00 0.00 C ATOM 943 O LYS A 61 -1.895 9.772 -9.928 1.00 0.00 O ATOM 944 CB LYS A 61 -0.811 12.955 -10.712 1.00 0.00 C ATOM 945 CG LYS A 61 -0.849 14.050 -11.764 1.00 0.00 C ATOM 946 CD LYS A 61 0.550 14.503 -12.146 1.00 0.00 C ATOM 947 CE LYS A 61 0.565 15.962 -12.578 1.00 0.00 C ATOM 948 NZ LYS A 61 0.328 16.110 -14.041 1.00 0.00 N ATOM 0 H LYS A 61 -3.154 13.788 -10.797 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.050 11.514 -11.717 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.749 13.413 -9.725 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.095 12.365 -10.847 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.370 13.687 -12.650 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.417 14.900 -11.386 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.222 14.366 -11.299 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.927 13.879 -12.956 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.200 16.511 -12.029 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.525 16.408 -12.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.346 17.118 -14.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.072 15.607 -14.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.600 15.708 -14.285 1.00 0.00 H new ATOM 962 N TYR A 62 -1.831 11.431 -8.410 1.00 0.00 N ATOM 963 CA TYR A 62 -1.717 10.530 -7.269 1.00 0.00 C ATOM 964 C TYR A 62 -2.548 9.270 -7.485 1.00 0.00 C ATOM 965 O TYR A 62 -2.025 8.155 -7.466 1.00 0.00 O ATOM 966 CB TYR A 62 -2.165 11.237 -5.989 1.00 0.00 C ATOM 967 CG TYR A 62 -2.266 10.316 -4.793 1.00 0.00 C ATOM 968 CD1 TYR A 62 -1.125 9.829 -4.168 1.00 0.00 C ATOM 969 CD2 TYR A 62 -3.503 9.933 -4.290 1.00 0.00 C ATOM 970 CE1 TYR A 62 -1.213 8.988 -3.076 1.00 0.00 C ATOM 971 CE2 TYR A 62 -3.600 9.093 -3.197 1.00 0.00 C ATOM 972 CZ TYR A 62 -2.453 8.623 -2.594 1.00 0.00 C ATOM 973 OH TYR A 62 -2.545 7.785 -1.507 1.00 0.00 O ATOM 0 H TYR A 62 -1.844 12.421 -8.166 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.671 10.240 -7.170 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.462 12.039 -5.762 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -3.135 11.703 -6.162 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.153 10.113 -4.542 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.404 10.298 -4.761 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.316 8.618 -2.602 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.569 8.806 -2.817 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.456 7.815 -1.147 1.00 0.00 H new ATOM 983 N LYS A 63 -3.848 9.454 -7.691 1.00 0.00 N ATOM 984 CA LYS A 63 -4.755 8.334 -7.913 1.00 0.00 C ATOM 985 C LYS A 63 -4.333 7.527 -9.137 1.00 0.00 C ATOM 986 O LYS A 63 -4.190 6.307 -9.068 1.00 0.00 O ATOM 987 CB LYS A 63 -6.188 8.839 -8.092 1.00 0.00 C ATOM 988 CG LYS A 63 -6.690 9.671 -6.924 1.00 0.00 C ATOM 989 CD LYS A 63 -7.822 10.594 -7.342 1.00 0.00 C ATOM 990 CE LYS A 63 -8.648 11.041 -6.146 1.00 0.00 C ATOM 991 NZ LYS A 63 -9.639 12.088 -6.517 1.00 0.00 N ATOM 0 H LYS A 63 -4.297 10.370 -7.709 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.712 7.685 -7.038 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.243 9.436 -9.002 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.851 7.985 -8.230 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.033 9.011 -6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.869 10.262 -6.518 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.412 11.467 -7.849 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.465 10.082 -8.058 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.169 10.182 -5.723 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.986 11.426 -5.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.182 12.366 -5.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.141 12.918 -6.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.287 11.712 -7.238 1.00 0.00 H new ATOM 1005 N ASN A 64 -4.133 8.217 -10.255 1.00 0.00 N ATOM 1006 CA ASN A 64 -3.726 7.563 -11.494 1.00 0.00 C ATOM 1007 C ASN A 64 -2.781 6.400 -11.211 1.00 0.00 C ATOM 1008 O ASN A 64 -2.908 5.325 -11.798 1.00 0.00 O ATOM 1009 CB ASN A 64 -3.049 8.569 -12.427 1.00 0.00 C ATOM 1010 CG ASN A 64 -2.692 7.963 -13.770 1.00 0.00 C ATOM 1011 OD1 ASN A 64 -3.284 6.970 -14.193 1.00 0.00 O ATOM 1012 ND2 ASN A 64 -1.717 8.558 -14.448 1.00 0.00 N ATOM 0 H ASN A 64 -4.246 9.228 -10.329 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.620 7.171 -11.979 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.712 9.421 -12.581 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.145 8.950 -11.952 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.432 8.194 -15.357 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.253 9.379 -14.060 1.00 0.00 H new ATOM 1019 N LYS A 65 -1.833 6.622 -10.306 1.00 0.00 N ATOM 1020 CA LYS A 65 -0.867 5.593 -9.942 1.00 0.00 C ATOM 1021 C LYS A 65 -1.531 4.486 -9.129 1.00 0.00 C ATOM 1022 O LYS A 65 -1.424 3.306 -9.465 1.00 0.00 O ATOM 1023 CB LYS A 65 0.285 6.206 -9.142 1.00 0.00 C ATOM 1024 CG LYS A 65 1.173 5.175 -8.466 1.00 0.00 C ATOM 1025 CD LYS A 65 1.747 4.190 -9.470 1.00 0.00 C ATOM 1026 CE LYS A 65 2.977 4.755 -10.164 1.00 0.00 C ATOM 1027 NZ LYS A 65 3.825 3.681 -10.751 1.00 0.00 N ATOM 0 H LYS A 65 -1.714 7.506 -9.811 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.473 5.159 -10.861 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.894 6.817 -9.808 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.125 6.873 -8.384 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.986 5.680 -7.944 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.598 4.635 -7.713 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.009 3.262 -8.962 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.989 3.944 -10.214 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.666 5.443 -10.950 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.564 5.332 -9.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.369 4.066 -11.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.480 3.321 -10.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.219 2.905 -11.086 1.00 0.00 H new ATOM 1041 N TYR A 66 -2.217 4.874 -8.060 1.00 0.00 N ATOM 1042 CA TYR A 66 -2.898 3.914 -7.199 1.00 0.00 C ATOM 1043 C TYR A 66 -3.799 2.993 -8.016 1.00 0.00 C ATOM 1044 O TYR A 66 -3.631 1.773 -8.006 1.00 0.00 O ATOM 1045 CB TYR A 66 -3.724 4.644 -6.139 1.00 0.00 C ATOM 1046 CG TYR A 66 -4.937 3.869 -5.677 1.00 0.00 C ATOM 1047 CD1 TYR A 66 -4.804 2.613 -5.097 1.00 0.00 C ATOM 1048 CD2 TYR A 66 -6.216 4.392 -5.820 1.00 0.00 C ATOM 1049 CE1 TYR A 66 -5.909 1.901 -4.674 1.00 0.00 C ATOM 1050 CE2 TYR A 66 -7.327 3.687 -5.398 1.00 0.00 C ATOM 1051 CZ TYR A 66 -7.168 2.442 -4.826 1.00 0.00 C ATOM 1052 OH TYR A 66 -8.272 1.736 -4.405 1.00 0.00 O ATOM 0 H TYR A 66 -2.316 5.846 -7.769 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.140 3.306 -6.705 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.089 4.856 -5.279 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.048 5.604 -6.541 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.819 2.186 -4.975 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.344 5.366 -6.269 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.788 0.926 -4.227 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.314 4.109 -5.515 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.082 2.258 -4.583 1.00 0.00 H new ATOM 1062 N ARG A 67 -4.755 3.585 -8.723 1.00 0.00 N ATOM 1063 CA ARG A 67 -5.683 2.820 -9.546 1.00 0.00 C ATOM 1064 C ARG A 67 -4.933 1.849 -10.453 1.00 0.00 C ATOM 1065 O ARG A 67 -5.465 0.810 -10.843 1.00 0.00 O ATOM 1066 CB ARG A 67 -6.546 3.760 -10.390 1.00 0.00 C ATOM 1067 CG ARG A 67 -5.749 4.591 -11.382 1.00 0.00 C ATOM 1068 CD ARG A 67 -6.660 5.426 -12.268 1.00 0.00 C ATOM 1069 NE ARG A 67 -7.579 4.597 -13.043 1.00 0.00 N ATOM 1070 CZ ARG A 67 -8.745 4.161 -12.578 1.00 0.00 C ATOM 1071 NH1 ARG A 67 -9.131 4.472 -11.348 1.00 0.00 N ATOM 1072 NH2 ARG A 67 -9.527 3.410 -13.344 1.00 0.00 N ATOM 0 H ARG A 67 -4.907 4.593 -8.742 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.328 2.245 -8.881 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.285 3.171 -10.933 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.095 4.429 -9.727 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.064 5.246 -10.843 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.139 3.934 -12.002 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -7.231 6.119 -11.650 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.054 6.027 -12.946 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.311 4.339 -13.993 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.532 5.048 -10.756 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.027 4.136 -10.994 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.233 3.167 -14.290 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.422 3.076 -12.986 1.00 0.00 H new ATOM 1086 N SER A 68 -3.693 2.196 -10.786 1.00 0.00 N ATOM 1087 CA SER A 68 -2.871 1.358 -11.651 1.00 0.00 C ATOM 1088 C SER A 68 -2.229 0.224 -10.857 1.00 0.00 C ATOM 1089 O SER A 68 -1.950 -0.847 -11.398 1.00 0.00 O ATOM 1090 CB SER A 68 -1.787 2.198 -12.329 1.00 0.00 C ATOM 1091 OG SER A 68 -0.987 1.403 -13.186 1.00 0.00 O ATOM 0 H SER A 68 -3.236 3.051 -10.470 1.00 0.00 H new ATOM 0 HA SER A 68 -3.516 0.924 -12.415 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.250 3.002 -12.901 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.159 2.667 -11.571 1.00 0.00 H new ATOM 0 HG SER A 68 -0.303 1.964 -13.608 1.00 0.00 H new ATOM 1097 N LEU A 69 -1.999 0.467 -9.572 1.00 0.00 N ATOM 1098 CA LEU A 69 -1.390 -0.534 -8.702 1.00 0.00 C ATOM 1099 C LEU A 69 -2.424 -1.555 -8.239 1.00 0.00 C ATOM 1100 O LEU A 69 -2.138 -2.749 -8.156 1.00 0.00 O ATOM 1101 CB LEU A 69 -0.745 0.141 -7.490 1.00 0.00 C ATOM 1102 CG LEU A 69 0.357 1.157 -7.794 1.00 0.00 C ATOM 1103 CD1 LEU A 69 0.918 1.739 -6.506 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.464 0.513 -8.617 1.00 0.00 C ATOM 0 H LEU A 69 -2.225 1.347 -9.109 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.621 -1.056 -9.272 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.527 0.643 -6.920 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.329 -0.634 -6.846 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.076 1.970 -8.377 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.701 2.460 -6.743 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.121 2.237 -5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.335 0.938 -5.896 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.240 1.250 -8.824 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.894 -0.319 -8.060 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.052 0.146 -9.557 1.00 0.00 H new ATOM 1116 N MET A 70 -3.628 -1.077 -7.941 1.00 0.00 N ATOM 1117 CA MET A 70 -4.706 -1.949 -7.490 1.00 0.00 C ATOM 1118 C MET A 70 -5.463 -2.536 -8.677 1.00 0.00 C ATOM 1119 O MET A 70 -6.184 -3.524 -8.538 1.00 0.00 O ATOM 1120 CB MET A 70 -5.670 -1.178 -6.586 1.00 0.00 C ATOM 1121 CG MET A 70 -6.753 -0.432 -7.349 1.00 0.00 C ATOM 1122 SD MET A 70 -8.206 -1.451 -7.666 1.00 0.00 S ATOM 1123 CE MET A 70 -8.852 -1.647 -6.007 1.00 0.00 C ATOM 0 H MET A 70 -3.881 -0.091 -8.004 1.00 0.00 H new ATOM 0 HA MET A 70 -4.264 -2.768 -6.923 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.140 -1.875 -5.892 1.00 0.00 H new ATOM 0 HB3 MET A 70 -5.103 -0.466 -5.987 1.00 0.00 H new ATOM 0 HG2 MET A 70 -7.049 0.450 -6.782 1.00 0.00 H new ATOM 0 HG3 MET A 70 -6.347 -0.080 -8.297 1.00 0.00 H new ATOM 0 HE1 MET A 70 -9.645 -2.395 -6.011 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.052 -1.970 -5.341 1.00 0.00 H new ATOM 0 HE3 MET A 70 -9.253 -0.695 -5.658 1.00 0.00 H new ATOM 1133 N PHE A 71 -5.294 -1.922 -9.843 1.00 0.00 N ATOM 1134 CA PHE A 71 -5.962 -2.383 -11.054 1.00 0.00 C ATOM 1135 C PHE A 71 -5.462 -3.767 -11.458 1.00 0.00 C ATOM 1136 O PHE A 71 -6.247 -4.639 -11.827 1.00 0.00 O ATOM 1137 CB PHE A 71 -5.734 -1.392 -12.197 1.00 0.00 C ATOM 1138 CG PHE A 71 -5.791 -2.024 -13.559 1.00 0.00 C ATOM 1139 CD1 PHE A 71 -6.942 -2.661 -13.994 1.00 0.00 C ATOM 1140 CD2 PHE A 71 -4.693 -1.982 -14.403 1.00 0.00 C ATOM 1141 CE1 PHE A 71 -6.997 -3.243 -15.247 1.00 0.00 C ATOM 1142 CE2 PHE A 71 -4.742 -2.562 -15.656 1.00 0.00 C ATOM 1143 CZ PHE A 71 -5.896 -3.194 -16.078 1.00 0.00 C ATOM 0 H PHE A 71 -4.700 -1.104 -9.975 1.00 0.00 H new ATOM 0 HA PHE A 71 -7.030 -2.448 -10.847 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.485 -0.604 -12.139 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -4.762 -0.916 -12.066 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.806 -2.703 -13.347 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.788 -1.490 -14.078 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -7.900 -3.735 -15.575 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.880 -2.521 -16.305 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.936 -3.649 -17.057 1.00 0.00 H new ATOM 1153 N ASN A 72 -4.149 -3.959 -11.386 1.00 0.00 N ATOM 1154 CA ASN A 72 -3.542 -5.236 -11.745 1.00 0.00 C ATOM 1155 C ASN A 72 -3.781 -6.277 -10.656 1.00 0.00 C ATOM 1156 O ASN A 72 -3.806 -7.479 -10.925 1.00 0.00 O ATOM 1157 CB ASN A 72 -2.040 -5.062 -11.979 1.00 0.00 C ATOM 1158 CG ASN A 72 -1.736 -4.373 -13.295 1.00 0.00 C ATOM 1159 OD1 ASN A 72 -1.583 -5.024 -14.329 1.00 0.00 O ATOM 1160 ND2 ASN A 72 -1.646 -3.048 -13.262 1.00 0.00 N ATOM 0 H ASN A 72 -3.485 -3.247 -11.082 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.009 -5.586 -12.666 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.612 -4.482 -11.161 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.557 -6.039 -11.963 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.443 -2.529 -14.116 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.780 -2.549 -12.382 1.00 0.00 H new ATOM 1167 N LEU A 73 -3.957 -5.808 -9.425 1.00 0.00 N ATOM 1168 CA LEU A 73 -4.195 -6.698 -8.294 1.00 0.00 C ATOM 1169 C LEU A 73 -5.444 -7.543 -8.520 1.00 0.00 C ATOM 1170 O LEU A 73 -5.448 -8.747 -8.262 1.00 0.00 O ATOM 1171 CB LEU A 73 -4.339 -5.888 -7.004 1.00 0.00 C ATOM 1172 CG LEU A 73 -3.050 -5.293 -6.437 1.00 0.00 C ATOM 1173 CD1 LEU A 73 -3.352 -4.415 -5.233 1.00 0.00 C ATOM 1174 CD2 LEU A 73 -2.072 -6.398 -6.063 1.00 0.00 C ATOM 0 H LEU A 73 -3.939 -4.817 -9.185 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.339 -7.366 -8.202 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.041 -5.075 -7.186 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.784 -6.530 -6.244 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.589 -4.673 -7.206 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.423 -4.000 -4.843 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.015 -3.603 -5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.836 -5.012 -4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.160 -5.956 -5.661 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.524 -7.045 -5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.831 -6.985 -6.949 1.00 0.00 H new ATOM 1186 N LYS A 74 -6.504 -6.906 -9.005 1.00 0.00 N ATOM 1187 CA LYS A 74 -7.759 -7.598 -9.270 1.00 0.00 C ATOM 1188 C LYS A 74 -7.696 -8.352 -10.595 1.00 0.00 C ATOM 1189 O LYS A 74 -8.380 -9.358 -10.781 1.00 0.00 O ATOM 1190 CB LYS A 74 -8.920 -6.602 -9.293 1.00 0.00 C ATOM 1191 CG LYS A 74 -8.813 -5.568 -10.400 1.00 0.00 C ATOM 1192 CD LYS A 74 -9.980 -4.595 -10.370 1.00 0.00 C ATOM 1193 CE LYS A 74 -9.682 -3.394 -9.487 1.00 0.00 C ATOM 1194 NZ LYS A 74 -10.569 -2.240 -9.801 1.00 0.00 N ATOM 0 H LYS A 74 -6.519 -5.910 -9.223 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.923 -8.319 -8.469 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.855 -7.150 -9.408 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.967 -6.090 -8.332 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.877 -5.018 -10.296 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.782 -6.071 -11.367 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.200 -4.258 -11.383 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.871 -5.105 -10.004 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.806 -3.673 -8.441 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.641 -3.098 -9.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.247 -1.402 -9.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.534 -2.043 -10.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.546 -2.468 -9.525 1.00 0.00 H new ATOM 1208 N ASP A 75 -6.871 -7.859 -11.512 1.00 0.00 N ATOM 1209 CA ASP A 75 -6.716 -8.487 -12.819 1.00 0.00 C ATOM 1210 C ASP A 75 -6.390 -9.970 -12.673 1.00 0.00 C ATOM 1211 O ASP A 75 -5.514 -10.366 -11.905 1.00 0.00 O ATOM 1212 CB ASP A 75 -5.617 -7.787 -13.618 1.00 0.00 C ATOM 1213 CG ASP A 75 -6.151 -6.644 -14.460 1.00 0.00 C ATOM 1214 OD1 ASP A 75 -6.791 -6.919 -15.496 1.00 0.00 O ATOM 1215 OD2 ASP A 75 -5.930 -5.475 -14.081 1.00 0.00 O ATOM 0 H ASP A 75 -6.299 -7.026 -11.374 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.660 -8.392 -13.355 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.860 -7.406 -12.932 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.125 -8.512 -14.266 1.00 0.00 H new ATOM 1220 N PRO A 76 -7.113 -10.812 -13.428 1.00 0.00 N ATOM 1221 CA PRO A 76 -6.919 -12.265 -13.401 1.00 0.00 C ATOM 1222 C PRO A 76 -5.593 -12.684 -14.027 1.00 0.00 C ATOM 1223 O PRO A 76 -4.996 -13.685 -13.630 1.00 0.00 O ATOM 1224 CB PRO A 76 -8.093 -12.795 -14.227 1.00 0.00 C ATOM 1225 CG PRO A 76 -8.454 -11.671 -15.136 1.00 0.00 C ATOM 1226 CD PRO A 76 -8.174 -10.410 -14.367 1.00 0.00 C ATOM 0 HA PRO A 76 -6.887 -12.654 -12.383 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -7.811 -13.685 -14.790 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -8.932 -13.074 -13.589 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -7.867 -11.707 -16.053 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -9.503 -11.726 -15.427 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -7.846 -9.604 -15.023 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.061 -10.054 -13.843 1.00 0.00 H new ATOM 1234 N LYS A 77 -5.138 -11.914 -15.009 1.00 0.00 N ATOM 1235 CA LYS A 77 -3.882 -12.204 -15.690 1.00 0.00 C ATOM 1236 C LYS A 77 -2.698 -12.043 -14.741 1.00 0.00 C ATOM 1237 O LYS A 77 -1.638 -12.631 -14.951 1.00 0.00 O ATOM 1238 CB LYS A 77 -3.708 -11.281 -16.899 1.00 0.00 C ATOM 1239 CG LYS A 77 -4.927 -11.230 -17.805 1.00 0.00 C ATOM 1240 CD LYS A 77 -4.906 -12.351 -18.830 1.00 0.00 C ATOM 1241 CE LYS A 77 -3.832 -12.124 -19.883 1.00 0.00 C ATOM 1242 NZ LYS A 77 -3.951 -13.086 -21.013 1.00 0.00 N ATOM 0 H LYS A 77 -5.621 -11.083 -15.351 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.914 -13.239 -16.031 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.484 -10.274 -16.548 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.848 -11.614 -17.479 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.833 -11.303 -17.203 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -4.961 -10.268 -18.317 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.729 -13.302 -18.327 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -5.881 -12.422 -19.313 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.906 -11.105 -20.264 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.848 -12.222 -19.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.201 -12.898 -21.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.855 -14.057 -20.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.880 -12.975 -21.467 1.00 0.00 H new ATOM 1256 N ASN A 78 -2.888 -11.245 -13.696 1.00 0.00 N ATOM 1257 CA ASN A 78 -1.836 -11.008 -12.714 1.00 0.00 C ATOM 1258 C ASN A 78 -2.207 -11.612 -11.362 1.00 0.00 C ATOM 1259 O ASN A 78 -2.840 -10.959 -10.533 1.00 0.00 O ATOM 1260 CB ASN A 78 -1.579 -9.508 -12.562 1.00 0.00 C ATOM 1261 CG ASN A 78 -0.811 -9.178 -11.297 1.00 0.00 C ATOM 1262 OD1 ASN A 78 0.146 -9.866 -10.942 1.00 0.00 O ATOM 1263 ND2 ASN A 78 -1.227 -8.120 -10.610 1.00 0.00 N ATOM 0 H ASN A 78 -3.760 -10.751 -13.507 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.926 -11.491 -13.070 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.021 -9.148 -13.427 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.531 -8.978 -12.554 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.748 -7.849 -9.751 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -2.025 -7.578 -10.942 1.00 0.00 H new ATOM 1270 N ASN A 79 -1.809 -12.861 -11.149 1.00 0.00 N ATOM 1271 CA ASN A 79 -2.099 -13.553 -9.898 1.00 0.00 C ATOM 1272 C ASN A 79 -0.823 -13.784 -9.095 1.00 0.00 C ATOM 1273 O ASN A 79 -0.627 -14.853 -8.516 1.00 0.00 O ATOM 1274 CB ASN A 79 -2.787 -14.890 -10.179 1.00 0.00 C ATOM 1275 CG ASN A 79 -3.650 -14.846 -11.426 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -4.962 -14.777 -11.235 1.00 0.00 O flip ATOM 1277 ND2 ASN A 79 -3.142 -14.873 -12.547 1.00 0.00 N flip ATOM 0 H ASN A 79 -1.285 -13.415 -11.826 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.768 -12.924 -9.310 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.032 -15.668 -10.291 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.404 -15.165 -9.323 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.128 -14.926 -12.646 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.735 -14.842 -13.376 1.00 0.00 H new ATOM 1284 N ILE A 80 0.041 -12.775 -9.064 1.00 0.00 N ATOM 1285 CA ILE A 80 1.297 -12.867 -8.330 1.00 0.00 C ATOM 1286 C ILE A 80 1.439 -11.720 -7.336 1.00 0.00 C ATOM 1287 O ILE A 80 1.550 -11.939 -6.129 1.00 0.00 O ATOM 1288 CB ILE A 80 2.507 -12.859 -9.283 1.00 0.00 C ATOM 1289 CG1 ILE A 80 2.624 -14.202 -10.006 1.00 0.00 C ATOM 1290 CG2 ILE A 80 3.784 -12.552 -8.514 1.00 0.00 C ATOM 1291 CD1 ILE A 80 3.427 -15.232 -9.241 1.00 0.00 C ATOM 0 H ILE A 80 -0.106 -11.884 -9.539 1.00 0.00 H new ATOM 0 HA ILE A 80 1.277 -13.813 -7.788 1.00 0.00 H new ATOM 0 HB ILE A 80 2.358 -12.078 -10.029 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.624 -14.595 -10.189 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.087 -14.042 -10.980 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.631 -12.550 -9.201 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.698 -11.574 -8.041 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.940 -13.312 -7.749 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.468 -16.159 -9.813 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.439 -14.859 -9.081 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.953 -15.421 -8.278 1.00 0.00 H new ATOM 1303 N LEU A 81 1.433 -10.495 -7.850 1.00 0.00 N ATOM 1304 CA LEU A 81 1.559 -9.311 -7.008 1.00 0.00 C ATOM 1305 C LEU A 81 0.734 -9.459 -5.733 1.00 0.00 C ATOM 1306 O LEU A 81 1.276 -9.464 -4.628 1.00 0.00 O ATOM 1307 CB LEU A 81 1.113 -8.065 -7.775 1.00 0.00 C ATOM 1308 CG LEU A 81 1.799 -6.755 -7.386 1.00 0.00 C ATOM 1309 CD1 LEU A 81 3.293 -6.834 -7.658 1.00 0.00 C ATOM 1310 CD2 LEU A 81 1.179 -5.585 -8.135 1.00 0.00 C ATOM 0 H LEU A 81 1.342 -10.296 -8.846 1.00 0.00 H new ATOM 0 HA LEU A 81 2.608 -9.203 -6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.281 -8.238 -8.838 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.039 -7.944 -7.638 1.00 0.00 H new ATOM 0 HG LEU A 81 1.653 -6.594 -6.318 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.765 -5.893 -7.375 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.726 -7.647 -7.075 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.460 -7.019 -8.719 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.680 -4.661 -7.845 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.293 -5.739 -9.208 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.119 -5.516 -7.889 1.00 0.00 H new ATOM 1322 N PHE A 82 -0.579 -9.582 -5.895 1.00 0.00 N ATOM 1323 CA PHE A 82 -1.479 -9.732 -4.758 1.00 0.00 C ATOM 1324 C PHE A 82 -0.876 -10.658 -3.705 1.00 0.00 C ATOM 1325 O PHE A 82 -1.098 -10.483 -2.507 1.00 0.00 O ATOM 1326 CB PHE A 82 -2.832 -10.279 -5.219 1.00 0.00 C ATOM 1327 CG PHE A 82 -2.895 -11.780 -5.241 1.00 0.00 C ATOM 1328 CD1 PHE A 82 -3.251 -12.488 -4.105 1.00 0.00 C ATOM 1329 CD2 PHE A 82 -2.599 -12.482 -6.398 1.00 0.00 C ATOM 1330 CE1 PHE A 82 -3.311 -13.869 -4.122 1.00 0.00 C ATOM 1331 CE2 PHE A 82 -2.657 -13.863 -6.421 1.00 0.00 C ATOM 1332 CZ PHE A 82 -3.013 -14.557 -5.281 1.00 0.00 C ATOM 0 H PHE A 82 -1.044 -9.581 -6.803 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.626 -8.749 -4.311 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.612 -9.900 -4.559 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.047 -9.899 -6.218 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.484 -11.955 -3.195 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.320 -11.944 -7.292 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.591 -14.409 -3.229 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.424 -14.399 -7.329 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.058 -15.636 -5.296 1.00 0.00 H new ATOM 1342 N LYS A 83 -0.111 -11.644 -4.162 1.00 0.00 N ATOM 1343 CA LYS A 83 0.526 -12.598 -3.262 1.00 0.00 C ATOM 1344 C LYS A 83 1.867 -12.066 -2.765 1.00 0.00 C ATOM 1345 O LYS A 83 2.044 -11.815 -1.573 1.00 0.00 O ATOM 1346 CB LYS A 83 0.728 -13.940 -3.968 1.00 0.00 C ATOM 1347 CG LYS A 83 1.282 -15.027 -3.063 1.00 0.00 C ATOM 1348 CD LYS A 83 1.736 -16.238 -3.860 1.00 0.00 C ATOM 1349 CE LYS A 83 0.552 -17.043 -4.374 1.00 0.00 C ATOM 1350 NZ LYS A 83 0.897 -18.479 -4.565 1.00 0.00 N ATOM 0 H LYS A 83 0.083 -11.803 -5.151 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.129 -12.741 -2.403 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.226 -14.272 -4.379 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.406 -13.800 -4.810 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.121 -14.632 -2.490 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.519 -15.328 -2.345 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.349 -15.913 -4.701 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.364 -16.872 -3.234 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.277 -16.959 -3.671 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.211 -16.623 -5.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.064 -18.993 -4.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.670 -18.561 -5.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.198 -18.887 -3.657 1.00 0.00 H new ATOM 1364 N LYS A 84 2.808 -11.894 -3.688 1.00 0.00 N ATOM 1365 CA LYS A 84 4.132 -11.388 -3.345 1.00 0.00 C ATOM 1366 C LYS A 84 4.050 -10.374 -2.209 1.00 0.00 C ATOM 1367 O LYS A 84 4.904 -10.349 -1.323 1.00 0.00 O ATOM 1368 CB LYS A 84 4.788 -10.747 -4.570 1.00 0.00 C ATOM 1369 CG LYS A 84 4.972 -11.706 -5.733 1.00 0.00 C ATOM 1370 CD LYS A 84 6.309 -12.425 -5.656 1.00 0.00 C ATOM 1371 CE LYS A 84 6.734 -12.957 -7.016 1.00 0.00 C ATOM 1372 NZ LYS A 84 7.735 -14.053 -6.895 1.00 0.00 N ATOM 0 H LYS A 84 2.678 -12.098 -4.679 1.00 0.00 H new ATOM 0 HA LYS A 84 4.741 -12.229 -3.013 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.180 -9.904 -4.898 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.760 -10.346 -4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.164 -12.437 -5.734 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.906 -11.157 -6.672 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.069 -11.742 -5.277 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.240 -13.250 -4.947 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.859 -13.322 -7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.155 -12.145 -7.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.999 -14.388 -7.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.581 -13.698 -6.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.325 -14.839 -6.352 1.00 0.00 H new ATOM 1386 N VAL A 85 3.016 -9.539 -2.240 1.00 0.00 N ATOM 1387 CA VAL A 85 2.822 -8.524 -1.212 1.00 0.00 C ATOM 1388 C VAL A 85 2.496 -9.161 0.134 1.00 0.00 C ATOM 1389 O VAL A 85 3.125 -8.854 1.148 1.00 0.00 O ATOM 1390 CB VAL A 85 1.692 -7.549 -1.593 1.00 0.00 C ATOM 1391 CG1 VAL A 85 1.409 -6.587 -0.449 1.00 0.00 C ATOM 1392 CG2 VAL A 85 2.049 -6.790 -2.862 1.00 0.00 C ATOM 0 H VAL A 85 2.300 -9.546 -2.966 1.00 0.00 H new ATOM 0 HA VAL A 85 3.758 -7.971 -1.132 1.00 0.00 H new ATOM 0 HB VAL A 85 0.787 -8.126 -1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.608 -5.906 -0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.107 -7.150 0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.309 -6.015 -0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.240 -6.106 -3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.966 -6.223 -2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.197 -7.496 -3.679 1.00 0.00 H new ATOM 1402 N LEU A 86 1.510 -10.051 0.138 1.00 0.00 N ATOM 1403 CA LEU A 86 1.099 -10.734 1.360 1.00 0.00 C ATOM 1404 C LEU A 86 2.210 -11.645 1.874 1.00 0.00 C ATOM 1405 O LEU A 86 2.589 -11.582 3.043 1.00 0.00 O ATOM 1406 CB LEU A 86 -0.171 -11.549 1.111 1.00 0.00 C ATOM 1407 CG LEU A 86 -1.494 -10.821 1.350 1.00 0.00 C ATOM 1408 CD1 LEU A 86 -1.557 -9.544 0.526 1.00 0.00 C ATOM 1409 CD2 LEU A 86 -2.669 -11.729 1.021 1.00 0.00 C ATOM 0 H LEU A 86 0.980 -10.317 -0.692 1.00 0.00 H new ATOM 0 HA LEU A 86 0.894 -9.978 2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.155 -11.903 0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.144 -12.431 1.751 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.553 -10.552 2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.506 -9.039 0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.735 -8.887 0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.475 -9.790 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.602 -11.194 1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.615 -12.030 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.633 -12.615 1.655 1.00 0.00 H new ATOM 1421 N LYS A 87 2.729 -12.491 0.991 1.00 0.00 N ATOM 1422 CA LYS A 87 3.799 -13.413 1.353 1.00 0.00 C ATOM 1423 C LYS A 87 5.001 -12.660 1.913 1.00 0.00 C ATOM 1424 O LYS A 87 5.600 -13.076 2.904 1.00 0.00 O ATOM 1425 CB LYS A 87 4.223 -14.238 0.135 1.00 0.00 C ATOM 1426 CG LYS A 87 4.800 -15.597 0.491 1.00 0.00 C ATOM 1427 CD LYS A 87 3.706 -16.592 0.843 1.00 0.00 C ATOM 1428 CE LYS A 87 4.201 -18.026 0.733 1.00 0.00 C ATOM 1429 NZ LYS A 87 4.978 -18.438 1.935 1.00 0.00 N ATOM 0 H LYS A 87 2.426 -12.557 0.019 1.00 0.00 H new ATOM 0 HA LYS A 87 3.421 -14.083 2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.360 -14.378 -0.516 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.964 -13.676 -0.434 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.383 -15.977 -0.348 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.484 -15.494 1.333 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.354 -16.404 1.857 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.854 -16.448 0.179 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.350 -18.695 0.604 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.825 -18.128 -0.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.298 -19.421 1.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.804 -17.816 2.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.375 -18.365 2.780 1.00 0.00 H new ATOM 1443 N GLY A 88 5.348 -11.548 1.272 1.00 0.00 N ATOM 1444 CA GLY A 88 6.476 -10.754 1.722 1.00 0.00 C ATOM 1445 C GLY A 88 7.545 -10.608 0.657 1.00 0.00 C ATOM 1446 O GLY A 88 8.649 -10.141 0.936 1.00 0.00 O ATOM 0 H GLY A 88 4.868 -11.183 0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.125 -9.765 2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.911 -11.216 2.608 1.00 0.00 H new ATOM 1450 N GLU A 89 7.217 -11.011 -0.567 1.00 0.00 N ATOM 1451 CA GLU A 89 8.160 -10.925 -1.677 1.00 0.00 C ATOM 1452 C GLU A 89 8.210 -9.508 -2.239 1.00 0.00 C ATOM 1453 O GLU A 89 9.286 -8.966 -2.492 1.00 0.00 O ATOM 1454 CB GLU A 89 7.772 -11.910 -2.781 1.00 0.00 C ATOM 1455 CG GLU A 89 7.800 -13.364 -2.338 1.00 0.00 C ATOM 1456 CD GLU A 89 9.210 -13.902 -2.192 1.00 0.00 C ATOM 1457 OE1 GLU A 89 10.158 -13.208 -2.616 1.00 0.00 O ATOM 1458 OE2 GLU A 89 9.366 -15.017 -1.652 1.00 0.00 O ATOM 0 H GLU A 89 6.307 -11.400 -0.815 1.00 0.00 H new ATOM 0 HA GLU A 89 9.150 -11.183 -1.301 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.771 -11.667 -3.138 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.451 -11.783 -3.624 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.278 -13.460 -1.386 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.257 -13.971 -3.062 1.00 0.00 H new ATOM 1465 N VAL A 90 7.038 -8.912 -2.432 1.00 0.00 N ATOM 1466 CA VAL A 90 6.947 -7.557 -2.964 1.00 0.00 C ATOM 1467 C VAL A 90 6.594 -6.559 -1.867 1.00 0.00 C ATOM 1468 O VAL A 90 5.559 -6.679 -1.212 1.00 0.00 O ATOM 1469 CB VAL A 90 5.895 -7.464 -4.086 1.00 0.00 C ATOM 1470 CG1 VAL A 90 5.510 -6.014 -4.338 1.00 0.00 C ATOM 1471 CG2 VAL A 90 6.415 -8.115 -5.358 1.00 0.00 C ATOM 0 H VAL A 90 6.138 -9.346 -2.228 1.00 0.00 H new ATOM 0 HA VAL A 90 7.927 -7.311 -3.374 1.00 0.00 H new ATOM 0 HB VAL A 90 5.002 -8.002 -3.769 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.766 -5.968 -5.133 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.094 -5.584 -3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.394 -5.449 -4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.659 -8.040 -6.140 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.324 -7.607 -5.682 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.635 -9.165 -5.165 1.00 0.00 H new ATOM 1481 N THR A 91 7.463 -5.571 -1.672 1.00 0.00 N ATOM 1482 CA THR A 91 7.244 -4.551 -0.654 1.00 0.00 C ATOM 1483 C THR A 91 6.215 -3.526 -1.116 1.00 0.00 C ATOM 1484 O THR A 91 6.008 -3.313 -2.311 1.00 0.00 O ATOM 1485 CB THR A 91 8.554 -3.823 -0.298 1.00 0.00 C ATOM 1486 OG1 THR A 91 9.399 -3.744 -1.451 1.00 0.00 O ATOM 1487 CG2 THR A 91 9.285 -4.544 0.825 1.00 0.00 C ATOM 0 H THR A 91 8.325 -5.456 -2.206 1.00 0.00 H new ATOM 0 HA THR A 91 6.870 -5.063 0.232 1.00 0.00 H new ATOM 0 HB THR A 91 8.305 -2.817 0.039 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.229 -3.278 -1.217 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.207 -4.012 1.059 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.650 -4.577 1.710 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.522 -5.560 0.511 1.00 0.00 H new ATOM 1495 N PRO A 92 5.554 -2.873 -0.149 1.00 0.00 N ATOM 1496 CA PRO A 92 4.536 -1.857 -0.433 1.00 0.00 C ATOM 1497 C PRO A 92 5.136 -0.583 -1.017 1.00 0.00 C ATOM 1498 O PRO A 92 4.564 0.024 -1.923 1.00 0.00 O ATOM 1499 CB PRO A 92 3.921 -1.577 0.941 1.00 0.00 C ATOM 1500 CG PRO A 92 4.991 -1.934 1.915 1.00 0.00 C ATOM 1501 CD PRO A 92 5.749 -3.076 1.297 1.00 0.00 C ATOM 0 HA PRO A 92 3.816 -2.199 -1.176 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.630 -0.531 1.039 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.024 -2.174 1.102 1.00 0.00 H new ATOM 0 HG2 PRO A 92 5.648 -1.085 2.101 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.564 -2.223 2.875 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.805 -3.051 1.567 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.359 -4.040 1.623 1.00 0.00 H new ATOM 1509 N ASP A 93 6.290 -0.184 -0.494 1.00 0.00 N ATOM 1510 CA ASP A 93 6.968 1.018 -0.966 1.00 0.00 C ATOM 1511 C ASP A 93 7.474 0.832 -2.393 1.00 0.00 C ATOM 1512 O ASP A 93 7.566 1.791 -3.161 1.00 0.00 O ATOM 1513 CB ASP A 93 8.134 1.368 -0.041 1.00 0.00 C ATOM 1514 CG ASP A 93 9.103 0.215 0.131 1.00 0.00 C ATOM 1515 OD1 ASP A 93 9.870 -0.062 -0.815 1.00 0.00 O ATOM 1516 OD2 ASP A 93 9.095 -0.410 1.212 1.00 0.00 O ATOM 0 H ASP A 93 6.776 -0.675 0.257 1.00 0.00 H new ATOM 0 HA ASP A 93 6.249 1.837 -0.958 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.667 2.230 -0.443 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.745 1.660 0.934 1.00 0.00 H new ATOM 1521 N HIS A 94 7.801 -0.408 -2.743 1.00 0.00 N ATOM 1522 CA HIS A 94 8.298 -0.720 -4.078 1.00 0.00 C ATOM 1523 C HIS A 94 7.145 -0.856 -5.069 1.00 0.00 C ATOM 1524 O HIS A 94 7.236 -0.400 -6.209 1.00 0.00 O ATOM 1525 CB HIS A 94 9.118 -2.011 -4.051 1.00 0.00 C ATOM 1526 CG HIS A 94 10.130 -2.100 -5.151 1.00 0.00 C ATOM 1527 ND1 HIS A 94 11.314 -1.393 -5.143 1.00 0.00 N ATOM 1528 CD2 HIS A 94 10.131 -2.819 -6.298 1.00 0.00 C ATOM 1529 CE1 HIS A 94 11.999 -1.673 -6.238 1.00 0.00 C ATOM 1530 NE2 HIS A 94 11.303 -2.536 -6.955 1.00 0.00 N ATOM 0 H HIS A 94 7.731 -1.213 -2.121 1.00 0.00 H new ATOM 0 HA HIS A 94 8.937 0.101 -4.402 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.629 -2.087 -3.091 1.00 0.00 H new ATOM 0 HB3 HIS A 94 8.442 -2.863 -4.121 1.00 0.00 H new ATOM 0 HD2 HIS A 94 9.354 -3.490 -6.634 1.00 0.00 H new ATOM 0 HE1 HIS A 94 12.964 -1.265 -6.501 1.00 0.00 H new ATOM 0 HE2 HIS A 94 11.590 -2.929 -7.852 1.00 0.00 H new ATOM 1539 N LEU A 95 6.063 -1.487 -4.627 1.00 0.00 N ATOM 1540 CA LEU A 95 4.892 -1.684 -5.475 1.00 0.00 C ATOM 1541 C LEU A 95 4.618 -0.445 -6.321 1.00 0.00 C ATOM 1542 O LEU A 95 4.029 -0.536 -7.398 1.00 0.00 O ATOM 1543 CB LEU A 95 3.668 -2.012 -4.619 1.00 0.00 C ATOM 1544 CG LEU A 95 2.597 -2.878 -5.283 1.00 0.00 C ATOM 1545 CD1 LEU A 95 1.797 -3.635 -4.235 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.678 -2.024 -6.144 1.00 0.00 C ATOM 0 H LEU A 95 5.972 -1.871 -3.686 1.00 0.00 H new ATOM 0 HA LEU A 95 5.095 -2.520 -6.144 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.007 -2.518 -3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.207 -1.075 -4.306 1.00 0.00 H new ATOM 0 HG LEU A 95 3.093 -3.605 -5.927 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.040 -4.246 -4.726 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.465 -4.277 -3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.312 -2.925 -3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.922 -2.657 -6.609 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.190 -1.274 -5.522 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.262 -1.528 -6.919 1.00 0.00 H new ATOM 1558 N ILE A 96 5.052 0.710 -5.828 1.00 0.00 N ATOM 1559 CA ILE A 96 4.857 1.966 -6.541 1.00 0.00 C ATOM 1560 C ILE A 96 5.946 2.180 -7.586 1.00 0.00 C ATOM 1561 O ILE A 96 5.672 2.625 -8.701 1.00 0.00 O ATOM 1562 CB ILE A 96 4.844 3.165 -5.575 1.00 0.00 C ATOM 1563 CG1 ILE A 96 4.042 2.827 -4.317 1.00 0.00 C ATOM 1564 CG2 ILE A 96 4.267 4.393 -6.263 1.00 0.00 C ATOM 1565 CD1 ILE A 96 4.176 3.858 -3.219 1.00 0.00 C ATOM 0 H ILE A 96 5.541 0.802 -4.938 1.00 0.00 H new ATOM 0 HA ILE A 96 3.889 1.900 -7.038 1.00 0.00 H new ATOM 0 HB ILE A 96 5.870 3.386 -5.280 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.990 2.726 -4.583 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.369 1.859 -3.937 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.264 5.232 -5.567 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.876 4.643 -7.131 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.246 4.184 -6.584 1.00 0.00 H new ATOM 0 HD11 ILE A 96 3.581 3.553 -2.359 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.222 3.942 -2.925 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.822 4.823 -3.581 1.00 0.00 H new ATOM 1577 N ARG A 97 7.182 1.859 -7.218 1.00 0.00 N ATOM 1578 CA ARG A 97 8.314 2.016 -8.124 1.00 0.00 C ATOM 1579 C ARG A 97 8.204 1.054 -9.303 1.00 0.00 C ATOM 1580 O ARG A 97 8.730 1.318 -10.384 1.00 0.00 O ATOM 1581 CB ARG A 97 9.628 1.778 -7.379 1.00 0.00 C ATOM 1582 CG ARG A 97 9.945 2.847 -6.346 1.00 0.00 C ATOM 1583 CD ARG A 97 11.145 2.461 -5.495 1.00 0.00 C ATOM 1584 NE ARG A 97 12.358 2.311 -6.295 1.00 0.00 N ATOM 1585 CZ ARG A 97 13.546 2.018 -5.779 1.00 0.00 C ATOM 1586 NH1 ARG A 97 13.681 1.845 -4.472 1.00 0.00 N ATOM 1587 NH2 ARG A 97 14.604 1.898 -6.572 1.00 0.00 N ATOM 0 H ARG A 97 7.425 1.489 -6.299 1.00 0.00 H new ATOM 0 HA ARG A 97 8.301 3.036 -8.507 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.585 0.808 -6.884 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.442 1.731 -8.102 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.144 3.793 -6.849 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.078 3.003 -5.704 1.00 0.00 H new ATOM 0 HD2 ARG A 97 11.307 3.221 -4.730 1.00 0.00 H new ATOM 0 HD3 ARG A 97 10.935 1.526 -4.976 1.00 0.00 H new ATOM 0 HE ARG A 97 12.289 2.438 -7.305 1.00 0.00 H new ATOM 0 HH11 ARG A 97 12.871 1.937 -3.859 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.595 1.620 -4.079 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.505 2.031 -7.578 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.516 1.673 -6.175 1.00 0.00 H new ATOM 1601 N MET A 98 7.517 -0.063 -9.087 1.00 0.00 N ATOM 1602 CA MET A 98 7.338 -1.064 -10.132 1.00 0.00 C ATOM 1603 C MET A 98 6.719 -0.443 -11.380 1.00 0.00 C ATOM 1604 O MET A 98 6.082 0.609 -11.311 1.00 0.00 O ATOM 1605 CB MET A 98 6.456 -2.208 -9.627 1.00 0.00 C ATOM 1606 CG MET A 98 6.959 -2.840 -8.339 1.00 0.00 C ATOM 1607 SD MET A 98 6.069 -4.349 -7.912 1.00 0.00 S ATOM 1608 CE MET A 98 6.705 -5.478 -9.149 1.00 0.00 C ATOM 0 H MET A 98 7.075 -0.298 -8.198 1.00 0.00 H new ATOM 0 HA MET A 98 8.320 -1.459 -10.393 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.445 -1.833 -9.468 1.00 0.00 H new ATOM 0 HB3 MET A 98 6.393 -2.975 -10.398 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.021 -3.065 -8.440 1.00 0.00 H new ATOM 0 HG3 MET A 98 6.861 -2.122 -7.524 1.00 0.00 H new ATOM 0 HE1 MET A 98 6.511 -6.505 -8.838 1.00 0.00 H new ATOM 0 HE2 MET A 98 6.212 -5.288 -10.102 1.00 0.00 H new ATOM 0 HE3 MET A 98 7.779 -5.329 -9.260 1.00 0.00 H new ATOM 1618 N SER A 99 6.911 -1.099 -12.520 1.00 0.00 N ATOM 1619 CA SER A 99 6.375 -0.608 -13.784 1.00 0.00 C ATOM 1620 C SER A 99 4.950 -1.109 -14.001 1.00 0.00 C ATOM 1621 O SER A 99 4.531 -2.126 -13.448 1.00 0.00 O ATOM 1622 CB SER A 99 7.266 -1.049 -14.946 1.00 0.00 C ATOM 1623 OG SER A 99 8.279 -0.093 -15.204 1.00 0.00 O ATOM 0 H SER A 99 7.434 -1.972 -12.594 1.00 0.00 H new ATOM 0 HA SER A 99 6.356 0.481 -13.744 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.721 -2.012 -14.714 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.659 -1.190 -15.840 1.00 0.00 H new ATOM 0 HG SER A 99 8.836 -0.400 -15.950 1.00 0.00 H new ATOM 1629 N PRO A 100 4.186 -0.379 -14.828 1.00 0.00 N ATOM 1630 CA PRO A 100 2.798 -0.730 -15.139 1.00 0.00 C ATOM 1631 C PRO A 100 2.695 -1.987 -15.996 1.00 0.00 C ATOM 1632 O PRO A 100 1.603 -2.506 -16.225 1.00 0.00 O ATOM 1633 CB PRO A 100 2.289 0.488 -15.914 1.00 0.00 C ATOM 1634 CG PRO A 100 3.512 1.097 -16.507 1.00 0.00 C ATOM 1635 CD PRO A 100 4.620 0.844 -15.523 1.00 0.00 C ATOM 0 HA PRO A 100 2.223 -0.952 -14.240 1.00 0.00 H new ATOM 0 HB2 PRO A 100 1.577 0.197 -16.686 1.00 0.00 H new ATOM 0 HB3 PRO A 100 1.776 1.190 -15.256 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.740 0.650 -17.475 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.374 2.165 -16.673 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.578 0.703 -16.024 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.741 1.678 -14.831 1.00 0.00 H new ATOM 1643 N GLU A 101 3.840 -2.472 -16.467 1.00 0.00 N ATOM 1644 CA GLU A 101 3.877 -3.668 -17.300 1.00 0.00 C ATOM 1645 C GLU A 101 4.498 -4.839 -16.542 1.00 0.00 C ATOM 1646 O GLU A 101 4.196 -5.999 -16.818 1.00 0.00 O ATOM 1647 CB GLU A 101 4.668 -3.400 -18.582 1.00 0.00 C ATOM 1648 CG GLU A 101 4.740 -4.597 -19.515 1.00 0.00 C ATOM 1649 CD GLU A 101 5.271 -4.236 -20.888 1.00 0.00 C ATOM 1650 OE1 GLU A 101 4.792 -3.237 -21.465 1.00 0.00 O ATOM 1651 OE2 GLU A 101 6.165 -4.952 -21.386 1.00 0.00 O ATOM 0 H GLU A 101 4.753 -2.055 -16.286 1.00 0.00 H new ATOM 0 HA GLU A 101 2.852 -3.929 -17.562 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.212 -2.564 -19.112 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.680 -3.095 -18.317 1.00 0.00 H new ATOM 0 HG2 GLU A 101 5.379 -5.360 -19.072 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.746 -5.033 -19.617 1.00 0.00 H new ATOM 1658 N GLU A 102 5.368 -4.524 -15.587 1.00 0.00 N ATOM 1659 CA GLU A 102 6.032 -5.550 -14.792 1.00 0.00 C ATOM 1660 C GLU A 102 5.103 -6.080 -13.703 1.00 0.00 C ATOM 1661 O GLU A 102 5.118 -7.270 -13.384 1.00 0.00 O ATOM 1662 CB GLU A 102 7.308 -4.989 -14.160 1.00 0.00 C ATOM 1663 CG GLU A 102 8.406 -4.692 -15.167 1.00 0.00 C ATOM 1664 CD GLU A 102 9.219 -5.922 -15.524 1.00 0.00 C ATOM 1665 OE1 GLU A 102 10.043 -6.351 -14.689 1.00 0.00 O ATOM 1666 OE2 GLU A 102 9.031 -6.454 -16.637 1.00 0.00 O ATOM 0 H GLU A 102 5.629 -3.568 -15.346 1.00 0.00 H new ATOM 0 HA GLU A 102 6.295 -6.375 -15.455 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.064 -4.074 -13.621 1.00 0.00 H new ATOM 0 HB3 GLU A 102 7.683 -5.702 -13.426 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.961 -4.280 -16.073 1.00 0.00 H new ATOM 0 HG3 GLU A 102 9.069 -3.928 -14.761 1.00 0.00 H new ATOM 1673 N LEU A 103 4.296 -5.190 -13.137 1.00 0.00 N ATOM 1674 CA LEU A 103 3.360 -5.567 -12.083 1.00 0.00 C ATOM 1675 C LEU A 103 2.639 -6.864 -12.434 1.00 0.00 C ATOM 1676 O LEU A 103 2.260 -7.633 -11.551 1.00 0.00 O ATOM 1677 CB LEU A 103 2.340 -4.449 -11.856 1.00 0.00 C ATOM 1678 CG LEU A 103 2.858 -3.205 -11.132 1.00 0.00 C ATOM 1679 CD1 LEU A 103 2.087 -1.971 -11.575 1.00 0.00 C ATOM 1680 CD2 LEU A 103 2.759 -3.386 -9.625 1.00 0.00 C ATOM 0 H LEU A 103 4.271 -4.202 -13.390 1.00 0.00 H new ATOM 0 HA LEU A 103 3.928 -5.725 -11.166 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.945 -4.143 -12.825 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.505 -4.856 -11.285 1.00 0.00 H new ATOM 0 HG LEU A 103 3.907 -3.066 -11.393 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.469 -1.095 -11.050 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.209 -1.832 -12.649 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.030 -2.100 -11.344 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.132 -2.492 -9.126 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.718 -3.550 -9.346 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.356 -4.246 -9.322 1.00 0.00 H new