USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 805 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 75 HIS : no HD1:sc= -6.88! K(o=-6.9!,f=-2.1) USER MOD Set 1.2: A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 55 SER OG : rot 130:sc=-0.000259 USER MOD Set 2.2: A 64 HIS : no HD1:sc= 0 X(o=-0.00026,f=-0.01) USER MOD Set 3.1: A 35 HIS : no HE2:sc= -2.75! X(o=-3.4!,f=-3) USER MOD Set 3.2: A 39 THR OG1 : rot -120:sc= -0.776 USER MOD Set 3.3: A 113 SER OG : rot 59:sc= 0.171 USER MOD Set 4.1: A 26 GLN : amide:sc= -0.147 X(o=-1.4,f=-1.4) USER MOD Set 4.2: A 30 ASN : amide:sc= -1.26 K(o=-1.4,f=-2.2!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -36:sc= 1.2 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.26! K(o=-1.3!,f=-0.23) USER MOD Single : A 23 MET CE :methyl 155:sc= -3.62! (180deg=-4.8!) USER MOD Single : A 27 GLN : amide:sc= -0.135 K(o=-0.14,f=-2.2!) USER MOD Single : A 28 THR OG1 : rot 93:sc= 0.286 USER MOD Single : A 33 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.78) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 132:sc= 1.07 USER MOD Single : A 57 LYS NZ :NH3+ 172:sc= -0.858 (180deg=-1.11) USER MOD Single : A 59 ASN : amide:sc= -3.2! C(o=-3.2!,f=-3.3!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0233) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot -48:sc= 0.812 USER MOD Single : A 80 LYS NZ :NH3+ -161:sc= 0.00172 (180deg=0) USER MOD Single : A 84 SER OG : rot 26:sc= 0.599 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 130:sc= -1.89! USER MOD Single : A 93 GLN : amide:sc= -0.226 K(o=-0.23,f=-2.1!) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= -3.99! C(o=-4!,f=-9.3!) USER MOD Single : A 96 SER OG : rot 180:sc= -0.182 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -150:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.022 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -119:sc= 0.022 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N ILE A 11 1.772 -11.056 -8.858 1.00 0.00 N ATOM 117 CA ILE A 11 2.106 -9.746 -9.401 1.00 0.00 C ATOM 118 C ILE A 11 3.354 -9.177 -8.736 1.00 0.00 C ATOM 119 O ILE A 11 3.538 -9.303 -7.526 1.00 0.00 O ATOM 120 CB ILE A 11 0.943 -8.750 -9.222 1.00 0.00 C ATOM 121 CG1 ILE A 11 -0.327 -9.293 -9.879 1.00 0.00 C ATOM 122 CG2 ILE A 11 1.312 -7.396 -9.808 1.00 0.00 C ATOM 123 CD1 ILE A 11 -1.596 -8.644 -9.370 1.00 0.00 C ATOM 0 HA ILE A 11 2.296 -9.884 -10.465 1.00 0.00 H new ATOM 0 HB ILE A 11 0.752 -8.623 -8.156 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.260 -9.146 -10.957 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.384 -10.368 -9.707 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.481 -6.703 -9.674 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.194 -7.007 -9.299 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.525 -7.506 -10.871 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.456 -9.078 -9.880 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.686 -8.814 -8.297 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.561 -7.572 -9.566 1.00 0.00 H new ATOM 135 N ASP A 12 4.209 -8.548 -9.537 1.00 0.00 N ATOM 136 CA ASP A 12 5.440 -7.957 -9.027 1.00 0.00 C ATOM 137 C ASP A 12 5.209 -6.512 -8.591 1.00 0.00 C ATOM 138 O ASP A 12 5.075 -5.617 -9.425 1.00 0.00 O ATOM 139 CB ASP A 12 6.537 -8.012 -10.091 1.00 0.00 C ATOM 140 CG ASP A 12 7.838 -7.395 -9.614 1.00 0.00 C ATOM 141 OD1 ASP A 12 7.788 -6.520 -8.726 1.00 0.00 O ATOM 142 OD2 ASP A 12 8.905 -7.789 -10.129 1.00 0.00 O ATOM 0 H ASP A 12 4.071 -8.435 -10.541 1.00 0.00 H new ATOM 0 HA ASP A 12 5.758 -8.534 -8.159 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.713 -9.050 -10.374 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.198 -7.491 -10.986 1.00 0.00 H new ATOM 147 N TYR A 13 5.162 -6.295 -7.282 1.00 0.00 N ATOM 148 CA TYR A 13 4.944 -4.961 -6.735 1.00 0.00 C ATOM 149 C TYR A 13 6.255 -4.187 -6.648 1.00 0.00 C ATOM 150 O TYR A 13 6.262 -2.957 -6.584 1.00 0.00 O ATOM 151 CB TYR A 13 4.299 -5.053 -5.352 1.00 0.00 C ATOM 152 CG TYR A 13 3.206 -6.093 -5.261 1.00 0.00 C ATOM 153 CD1 TYR A 13 2.151 -6.102 -6.167 1.00 0.00 C ATOM 154 CD2 TYR A 13 3.225 -7.066 -4.270 1.00 0.00 C ATOM 155 CE1 TYR A 13 1.149 -7.050 -6.088 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.228 -8.019 -4.183 1.00 0.00 C ATOM 157 CZ TYR A 13 1.193 -8.006 -5.095 1.00 0.00 C ATOM 158 OH TYR A 13 0.196 -8.952 -5.012 1.00 0.00 O ATOM 0 H TYR A 13 5.272 -7.026 -6.579 1.00 0.00 H new ATOM 0 HA TYR A 13 4.272 -4.426 -7.406 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.069 -5.283 -4.616 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.886 -4.080 -5.088 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.114 -5.355 -6.946 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.034 -7.078 -3.554 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.336 -7.042 -6.799 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.259 -8.769 -3.406 1.00 0.00 H new ATOM 0 HH TYR A 13 0.376 -9.552 -4.258 1.00 0.00 H new ATOM 168 N THR A 14 7.367 -4.917 -6.644 1.00 0.00 N ATOM 169 CA THR A 14 8.686 -4.301 -6.563 1.00 0.00 C ATOM 170 C THR A 14 9.099 -3.711 -7.907 1.00 0.00 C ATOM 171 O THR A 14 10.195 -3.168 -8.045 1.00 0.00 O ATOM 172 CB THR A 14 9.753 -5.315 -6.111 1.00 0.00 C ATOM 173 OG1 THR A 14 10.055 -6.218 -7.180 1.00 0.00 O ATOM 174 CG2 THR A 14 9.274 -6.100 -4.898 1.00 0.00 C ATOM 0 H THR A 14 7.380 -5.936 -6.696 1.00 0.00 H new ATOM 0 HA THR A 14 8.618 -3.503 -5.823 1.00 0.00 H new ATOM 0 HB THR A 14 10.652 -4.764 -5.836 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.237 -6.414 -7.683 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.044 -6.810 -4.597 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.073 -5.413 -4.076 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.362 -6.640 -5.151 1.00 0.00 H new ATOM 182 N ALA A 15 8.215 -3.819 -8.893 1.00 0.00 N ATOM 183 CA ALA A 15 8.490 -3.293 -10.225 1.00 0.00 C ATOM 184 C ALA A 15 7.875 -1.909 -10.406 1.00 0.00 C ATOM 185 O ALA A 15 8.280 -1.150 -11.286 1.00 0.00 O ATOM 186 CB ALA A 15 7.965 -4.248 -11.288 1.00 0.00 C ATOM 0 H ALA A 15 7.303 -4.265 -8.795 1.00 0.00 H new ATOM 0 HA ALA A 15 9.570 -3.200 -10.336 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.177 -3.843 -12.278 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.453 -5.217 -11.180 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.888 -4.369 -11.169 1.00 0.00 H new ATOM 192 N TYR A 16 6.895 -1.589 -9.567 1.00 0.00 N ATOM 193 CA TYR A 16 6.222 -0.297 -9.637 1.00 0.00 C ATOM 194 C TYR A 16 7.004 0.766 -8.872 1.00 0.00 C ATOM 195 O TYR A 16 7.680 0.485 -7.882 1.00 0.00 O ATOM 196 CB TYR A 16 4.804 -0.406 -9.075 1.00 0.00 C ATOM 197 CG TYR A 16 3.871 -1.221 -9.942 1.00 0.00 C ATOM 198 CD1 TYR A 16 3.320 -0.684 -11.100 1.00 0.00 C ATOM 199 CD2 TYR A 16 3.537 -2.527 -9.603 1.00 0.00 C ATOM 200 CE1 TYR A 16 2.466 -1.425 -11.895 1.00 0.00 C ATOM 201 CE2 TYR A 16 2.686 -3.275 -10.392 1.00 0.00 C ATOM 202 CZ TYR A 16 2.152 -2.719 -11.537 1.00 0.00 C ATOM 203 OH TYR A 16 1.303 -3.460 -12.324 1.00 0.00 O ATOM 0 H TYR A 16 6.550 -2.206 -8.832 1.00 0.00 H new ATOM 0 HA TYR A 16 6.169 0.000 -10.684 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.849 -0.854 -8.082 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.392 0.596 -8.954 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.563 0.329 -11.383 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.951 -2.964 -8.706 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.047 -0.993 -12.792 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.440 -4.289 -10.115 1.00 0.00 H new ATOM 0 HH TYR A 16 1.187 -4.350 -11.932 1.00 0.00 H new ATOM 213 N PRO A 17 6.910 2.019 -9.339 1.00 0.00 N ATOM 214 CA PRO A 17 7.599 3.152 -8.714 1.00 0.00 C ATOM 215 C PRO A 17 7.010 3.510 -7.354 1.00 0.00 C ATOM 216 O PRO A 17 7.712 4.012 -6.476 1.00 0.00 O ATOM 217 CB PRO A 17 7.381 4.294 -9.710 1.00 0.00 C ATOM 218 CG PRO A 17 6.132 3.931 -10.435 1.00 0.00 C ATOM 219 CD PRO A 17 6.121 2.428 -10.514 1.00 0.00 C ATOM 0 HA PRO A 17 8.649 2.933 -8.520 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.278 5.251 -9.199 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.223 4.388 -10.395 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.253 4.301 -9.907 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.116 4.374 -11.431 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.107 2.031 -10.475 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.568 2.071 -11.442 1.00 0.00 H new ATOM 227 N TRP A 18 5.719 3.251 -7.187 1.00 0.00 N ATOM 228 CA TRP A 18 5.036 3.547 -5.932 1.00 0.00 C ATOM 229 C TRP A 18 5.350 2.490 -4.879 1.00 0.00 C ATOM 230 O TRP A 18 4.742 2.467 -3.809 1.00 0.00 O ATOM 231 CB TRP A 18 3.525 3.627 -6.158 1.00 0.00 C ATOM 232 CG TRP A 18 2.996 2.534 -7.036 1.00 0.00 C ATOM 233 CD1 TRP A 18 2.567 2.655 -8.327 1.00 0.00 C ATOM 234 CD2 TRP A 18 2.839 1.154 -6.687 1.00 0.00 C ATOM 235 NE1 TRP A 18 2.152 1.434 -8.802 1.00 0.00 N ATOM 236 CE2 TRP A 18 2.309 0.496 -7.814 1.00 0.00 C ATOM 237 CE3 TRP A 18 3.094 0.411 -5.532 1.00 0.00 C ATOM 238 CZ2 TRP A 18 2.032 -0.868 -7.819 1.00 0.00 C ATOM 239 CZ3 TRP A 18 2.819 -0.944 -5.537 1.00 0.00 C ATOM 240 CH2 TRP A 18 2.293 -1.572 -6.674 1.00 0.00 C ATOM 0 H TRP A 18 5.123 2.837 -7.904 1.00 0.00 H new ATOM 0 HA TRP A 18 5.394 4.511 -5.570 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.018 3.586 -5.194 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.282 4.591 -6.605 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.556 3.575 -8.892 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.787 1.255 -9.737 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.499 0.886 -4.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 1.626 -1.353 -8.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 3.013 -1.528 -4.650 1.00 0.00 H new ATOM 0 HH2 TRP A 18 2.089 -2.632 -6.647 1.00 0.00 H new ATOM 251 N PHE A 19 6.302 1.616 -5.190 1.00 0.00 N ATOM 252 CA PHE A 19 6.696 0.556 -4.270 1.00 0.00 C ATOM 253 C PHE A 19 7.979 0.926 -3.530 1.00 0.00 C ATOM 254 O PHE A 19 8.979 1.290 -4.147 1.00 0.00 O ATOM 255 CB PHE A 19 6.892 -0.760 -5.027 1.00 0.00 C ATOM 256 CG PHE A 19 7.809 -1.723 -4.329 1.00 0.00 C ATOM 257 CD1 PHE A 19 9.184 -1.573 -4.409 1.00 0.00 C ATOM 258 CD2 PHE A 19 7.295 -2.779 -3.593 1.00 0.00 C ATOM 259 CE1 PHE A 19 10.030 -2.457 -3.767 1.00 0.00 C ATOM 260 CE2 PHE A 19 8.137 -3.665 -2.949 1.00 0.00 C ATOM 261 CZ PHE A 19 9.506 -3.505 -3.037 1.00 0.00 C ATOM 0 H PHE A 19 6.814 1.621 -6.072 1.00 0.00 H new ATOM 0 HA PHE A 19 5.898 0.431 -3.538 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.921 -1.235 -5.171 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.291 -0.544 -6.018 1.00 0.00 H new ATOM 0 HD1 PHE A 19 9.599 -0.756 -4.980 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.225 -2.911 -3.522 1.00 0.00 H new ATOM 0 HE1 PHE A 19 11.100 -2.328 -3.836 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.725 -4.483 -2.377 1.00 0.00 H new ATOM 0 HZ PHE A 19 10.165 -4.198 -2.536 1.00 0.00 H new ATOM 271 N ALA A 20 7.940 0.829 -2.206 1.00 0.00 N ATOM 272 CA ALA A 20 9.099 1.153 -1.382 1.00 0.00 C ATOM 273 C ALA A 20 9.693 -0.104 -0.756 1.00 0.00 C ATOM 274 O ALA A 20 10.908 -0.210 -0.589 1.00 0.00 O ATOM 275 CB ALA A 20 8.715 2.152 -0.301 1.00 0.00 C ATOM 0 H ALA A 20 7.119 0.529 -1.680 1.00 0.00 H new ATOM 0 HA ALA A 20 9.857 1.602 -2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.590 2.385 0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.342 3.065 -0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.938 1.723 0.331 1.00 0.00 H new ATOM 281 N GLY A 21 8.830 -1.054 -0.410 1.00 0.00 N ATOM 282 CA GLY A 21 9.290 -2.290 0.195 1.00 0.00 C ATOM 283 C GLY A 21 9.310 -2.222 1.709 1.00 0.00 C ATOM 284 O GLY A 21 8.371 -1.721 2.327 1.00 0.00 O ATOM 0 H GLY A 21 7.820 -0.990 -0.538 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.643 -3.108 -0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 21 10.292 -2.518 -0.169 1.00 0.00 H new ATOM 288 N ASN A 22 10.381 -2.730 2.309 1.00 0.00 N ATOM 289 CA ASN A 22 10.518 -2.727 3.761 1.00 0.00 C ATOM 290 C ASN A 22 10.838 -1.326 4.274 1.00 0.00 C ATOM 291 O ASN A 22 11.939 -1.067 4.759 1.00 0.00 O ATOM 292 CB ASN A 22 11.615 -3.703 4.193 1.00 0.00 C ATOM 293 CG ASN A 22 12.887 -3.538 3.383 1.00 0.00 C ATOM 294 OD1 ASN A 22 13.796 -2.806 3.775 1.00 0.00 O ATOM 295 ND2 ASN A 22 12.956 -4.219 2.246 1.00 0.00 N ATOM 0 H ASN A 22 11.167 -3.149 1.812 1.00 0.00 H new ATOM 0 HA ASN A 22 9.568 -3.045 4.191 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.838 -3.551 5.249 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.250 -4.725 4.088 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.787 -4.147 1.658 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.179 -4.814 1.960 1.00 0.00 H new ATOM 302 N MET A 23 9.866 -0.426 4.164 1.00 0.00 N ATOM 303 CA MET A 23 10.043 0.949 4.619 1.00 0.00 C ATOM 304 C MET A 23 9.586 1.105 6.066 1.00 0.00 C ATOM 305 O MET A 23 8.708 0.378 6.531 1.00 0.00 O ATOM 306 CB MET A 23 9.264 1.911 3.719 1.00 0.00 C ATOM 307 CG MET A 23 9.520 3.375 4.030 1.00 0.00 C ATOM 308 SD MET A 23 10.920 4.047 3.112 1.00 0.00 S ATOM 309 CE MET A 23 10.115 5.336 2.164 1.00 0.00 C ATOM 0 H MET A 23 8.949 -0.624 3.764 1.00 0.00 H new ATOM 0 HA MET A 23 11.104 1.190 4.563 1.00 0.00 H new ATOM 0 HB2 MET A 23 9.528 1.717 2.679 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.198 1.708 3.820 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.626 3.954 3.796 1.00 0.00 H new ATOM 0 HG3 MET A 23 9.703 3.489 5.098 1.00 0.00 H new ATOM 0 HE1 MET A 23 10.843 6.105 1.905 1.00 0.00 H new ATOM 0 HE2 MET A 23 9.697 4.910 1.252 1.00 0.00 H new ATOM 0 HE3 MET A 23 9.315 5.779 2.758 1.00 0.00 H new ATOM 319 N GLU A 24 10.187 2.059 6.771 1.00 0.00 N ATOM 320 CA GLU A 24 9.841 2.309 8.165 1.00 0.00 C ATOM 321 C GLU A 24 8.709 3.326 8.272 1.00 0.00 C ATOM 322 O GLU A 24 8.611 4.248 7.462 1.00 0.00 O ATOM 323 CB GLU A 24 11.065 2.809 8.936 1.00 0.00 C ATOM 324 CG GLU A 24 12.189 1.790 9.019 1.00 0.00 C ATOM 325 CD GLU A 24 13.240 2.163 10.047 1.00 0.00 C ATOM 326 OE1 GLU A 24 14.081 3.035 9.748 1.00 0.00 O ATOM 327 OE2 GLU A 24 13.219 1.583 11.153 1.00 0.00 O ATOM 0 H GLU A 24 10.915 2.670 6.400 1.00 0.00 H new ATOM 0 HA GLU A 24 9.504 1.369 8.602 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.441 3.714 8.458 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.760 3.085 9.946 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.772 0.814 9.269 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.661 1.694 8.041 1.00 0.00 H new ATOM 334 N ARG A 25 7.856 3.153 9.276 1.00 0.00 N ATOM 335 CA ARG A 25 6.730 4.054 9.487 1.00 0.00 C ATOM 336 C ARG A 25 7.212 5.486 9.698 1.00 0.00 C ATOM 337 O ARG A 25 6.456 6.439 9.515 1.00 0.00 O ATOM 338 CB ARG A 25 5.905 3.599 10.693 1.00 0.00 C ATOM 339 CG ARG A 25 6.715 3.474 11.973 1.00 0.00 C ATOM 340 CD ARG A 25 5.879 2.900 13.107 1.00 0.00 C ATOM 341 NE ARG A 25 6.365 3.330 14.416 1.00 0.00 N ATOM 342 CZ ARG A 25 5.682 3.162 15.543 1.00 0.00 C ATOM 343 NH1 ARG A 25 4.492 2.577 15.521 1.00 0.00 N ATOM 344 NH2 ARG A 25 6.189 3.581 16.695 1.00 0.00 N ATOM 0 H ARG A 25 7.924 2.396 9.957 1.00 0.00 H new ATOM 0 HA ARG A 25 6.103 4.028 8.596 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.093 4.308 10.855 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.448 2.636 10.467 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.580 2.834 11.797 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.097 4.454 12.261 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.841 3.210 12.986 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.894 1.811 13.054 1.00 0.00 H new ATOM 0 HE ARG A 25 7.277 3.783 14.467 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.099 2.254 14.637 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.970 2.450 16.388 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.103 4.032 16.716 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.664 3.452 17.560 1.00 0.00 H new ATOM 358 N GLN A 26 8.476 5.628 10.084 1.00 0.00 N ATOM 359 CA GLN A 26 9.059 6.944 10.321 1.00 0.00 C ATOM 360 C GLN A 26 9.608 7.537 9.028 1.00 0.00 C ATOM 361 O GLN A 26 9.281 8.668 8.666 1.00 0.00 O ATOM 362 CB GLN A 26 10.172 6.852 11.367 1.00 0.00 C ATOM 363 CG GLN A 26 10.506 8.184 12.018 1.00 0.00 C ATOM 364 CD GLN A 26 11.621 8.070 13.040 1.00 0.00 C ATOM 365 OE1 GLN A 26 11.673 7.114 13.815 1.00 0.00 O ATOM 366 NE2 GLN A 26 12.519 9.048 13.047 1.00 0.00 N ATOM 0 H GLN A 26 9.116 4.849 10.239 1.00 0.00 H new ATOM 0 HA GLN A 26 8.273 7.600 10.695 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.875 6.143 12.140 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.070 6.452 10.896 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.796 8.898 11.247 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.614 8.582 12.502 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.437 9.821 12.386 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.291 9.026 13.713 1.00 0.00 H new ATOM 375 N GLN A 27 10.442 6.768 8.337 1.00 0.00 N ATOM 376 CA GLN A 27 11.036 7.219 7.084 1.00 0.00 C ATOM 377 C GLN A 27 9.958 7.599 6.075 1.00 0.00 C ATOM 378 O GLN A 27 10.192 8.399 5.170 1.00 0.00 O ATOM 379 CB GLN A 27 11.936 6.128 6.501 1.00 0.00 C ATOM 380 CG GLN A 27 13.003 6.661 5.557 1.00 0.00 C ATOM 381 CD GLN A 27 14.211 5.750 5.468 1.00 0.00 C ATOM 382 OE1 GLN A 27 14.441 4.917 6.346 1.00 0.00 O ATOM 383 NE2 GLN A 27 14.991 5.902 4.405 1.00 0.00 N ATOM 0 H GLN A 27 10.722 5.830 8.623 1.00 0.00 H new ATOM 0 HA GLN A 27 11.638 8.103 7.294 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.420 5.592 7.318 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.318 5.405 5.968 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.573 6.787 4.563 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.321 7.648 5.894 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.763 6.605 3.702 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.818 5.316 4.291 1.00 0.00 H new ATOM 392 N THR A 28 8.772 7.019 6.237 1.00 0.00 N ATOM 393 CA THR A 28 7.657 7.295 5.340 1.00 0.00 C ATOM 394 C THR A 28 6.942 8.582 5.732 1.00 0.00 C ATOM 395 O THR A 28 6.516 9.353 4.872 1.00 0.00 O ATOM 396 CB THR A 28 6.641 6.138 5.335 1.00 0.00 C ATOM 397 OG1 THR A 28 7.327 4.881 5.368 1.00 0.00 O ATOM 398 CG2 THR A 28 5.751 6.204 4.103 1.00 0.00 C ATOM 0 H THR A 28 8.560 6.355 6.982 1.00 0.00 H new ATOM 0 HA THR A 28 8.076 7.405 4.340 1.00 0.00 H new ATOM 0 HB THR A 28 6.014 6.232 6.222 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.429 4.588 6.298 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.042 5.377 4.122 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.207 7.148 4.097 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.366 6.134 3.206 1.00 0.00 H new ATOM 406 N ASP A 29 6.815 8.811 7.034 1.00 0.00 N ATOM 407 CA ASP A 29 6.153 10.007 7.540 1.00 0.00 C ATOM 408 C ASP A 29 7.099 11.204 7.514 1.00 0.00 C ATOM 409 O ASP A 29 6.678 12.345 7.696 1.00 0.00 O ATOM 410 CB ASP A 29 5.647 9.773 8.964 1.00 0.00 C ATOM 411 CG ASP A 29 4.526 10.721 9.344 1.00 0.00 C ATOM 412 OD1 ASP A 29 4.711 11.947 9.196 1.00 0.00 O ATOM 413 OD2 ASP A 29 3.464 10.237 9.788 1.00 0.00 O ATOM 0 H ASP A 29 7.162 8.183 7.759 1.00 0.00 H new ATOM 0 HA ASP A 29 5.304 10.223 6.892 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.297 8.745 9.058 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.474 9.893 9.664 1.00 0.00 H new ATOM 418 N ASN A 30 8.380 10.934 7.287 1.00 0.00 N ATOM 419 CA ASN A 30 9.386 11.989 7.240 1.00 0.00 C ATOM 420 C ASN A 30 9.625 12.447 5.804 1.00 0.00 C ATOM 421 O ASN A 30 9.956 13.608 5.559 1.00 0.00 O ATOM 422 CB ASN A 30 10.699 11.498 7.855 1.00 0.00 C ATOM 423 CG ASN A 30 10.669 11.517 9.371 1.00 0.00 C ATOM 424 OD1 ASN A 30 9.841 12.196 9.978 1.00 0.00 O ATOM 425 ND2 ASN A 30 11.576 10.770 9.990 1.00 0.00 N ATOM 0 H ASN A 30 8.746 9.995 7.133 1.00 0.00 H new ATOM 0 HA ASN A 30 9.016 12.836 7.817 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.902 10.484 7.511 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.519 12.124 7.502 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.605 10.743 11.009 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.243 10.223 9.446 1.00 0.00 H new ATOM 432 N LEU A 31 9.454 11.529 4.859 1.00 0.00 N ATOM 433 CA LEU A 31 9.651 11.840 3.447 1.00 0.00 C ATOM 434 C LEU A 31 8.352 12.325 2.812 1.00 0.00 C ATOM 435 O LEU A 31 8.357 13.239 1.985 1.00 0.00 O ATOM 436 CB LEU A 31 10.168 10.608 2.702 1.00 0.00 C ATOM 437 CG LEU A 31 9.102 9.680 2.120 1.00 0.00 C ATOM 438 CD1 LEU A 31 8.708 10.130 0.721 1.00 0.00 C ATOM 439 CD2 LEU A 31 9.601 8.242 2.098 1.00 0.00 C ATOM 0 H LEU A 31 9.180 10.564 5.044 1.00 0.00 H new ATOM 0 HA LEU A 31 10.390 12.638 3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.812 10.943 1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.791 10.030 3.385 1.00 0.00 H new ATOM 0 HG LEU A 31 8.219 9.728 2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.948 9.457 0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.309 11.143 0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.584 10.112 0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.829 7.595 1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.499 8.178 1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.832 7.922 3.114 1.00 0.00 H new ATOM 451 N LEU A 32 7.242 11.711 3.202 1.00 0.00 N ATOM 452 CA LEU A 32 5.934 12.081 2.673 1.00 0.00 C ATOM 453 C LEU A 32 5.571 13.510 3.067 1.00 0.00 C ATOM 454 O LEU A 32 5.195 14.322 2.223 1.00 0.00 O ATOM 455 CB LEU A 32 4.863 11.113 3.179 1.00 0.00 C ATOM 456 CG LEU A 32 4.767 9.775 2.444 1.00 0.00 C ATOM 457 CD1 LEU A 32 3.580 8.972 2.950 1.00 0.00 C ATOM 458 CD2 LEU A 32 4.662 9.997 0.943 1.00 0.00 C ATOM 0 H LEU A 32 7.221 10.953 3.884 1.00 0.00 H new ATOM 0 HA LEU A 32 5.981 12.024 1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.052 10.913 4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.895 11.609 3.117 1.00 0.00 H new ATOM 0 HG LEU A 32 5.675 9.207 2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.528 8.023 2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.698 8.781 4.017 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.662 9.534 2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.595 9.034 0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.771 10.585 0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.545 10.531 0.591 1.00 0.00 H new ATOM 470 N LYS A 33 5.690 13.810 4.357 1.00 0.00 N ATOM 471 CA LYS A 33 5.378 15.141 4.864 1.00 0.00 C ATOM 472 C LYS A 33 5.932 16.219 3.938 1.00 0.00 C ATOM 473 O LYS A 33 5.429 17.342 3.908 1.00 0.00 O ATOM 474 CB LYS A 33 5.952 15.318 6.272 1.00 0.00 C ATOM 475 CG LYS A 33 7.460 15.488 6.298 1.00 0.00 C ATOM 476 CD LYS A 33 8.002 15.450 7.717 1.00 0.00 C ATOM 477 CE LYS A 33 7.977 16.827 8.361 1.00 0.00 C ATOM 478 NZ LYS A 33 6.670 17.112 9.013 1.00 0.00 N ATOM 0 H LYS A 33 6.000 13.149 5.069 1.00 0.00 H new ATOM 0 HA LYS A 33 4.294 15.244 4.904 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.489 16.188 6.737 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.682 14.452 6.877 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.926 14.698 5.708 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.728 16.435 5.831 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.410 14.757 8.315 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.024 15.070 7.707 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.774 16.896 9.101 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.178 17.585 7.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.817 17.749 9.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.031 17.564 8.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.247 16.222 9.346 1.00 0.00 H new ATOM 492 N SER A 34 6.969 15.870 3.185 1.00 0.00 N ATOM 493 CA SER A 34 7.593 16.810 2.260 1.00 0.00 C ATOM 494 C SER A 34 6.850 16.834 0.928 1.00 0.00 C ATOM 495 O SER A 34 6.706 17.886 0.303 1.00 0.00 O ATOM 496 CB SER A 34 9.059 16.438 2.034 1.00 0.00 C ATOM 497 OG SER A 34 9.708 17.398 1.216 1.00 0.00 O ATOM 0 H SER A 34 7.396 14.944 3.197 1.00 0.00 H new ATOM 0 HA SER A 34 7.543 17.805 2.702 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.572 16.367 2.993 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.120 15.456 1.566 1.00 0.00 H new ATOM 0 HG SER A 34 10.644 17.139 1.087 1.00 0.00 H new ATOM 503 N HIS A 35 6.380 15.667 0.498 1.00 0.00 N ATOM 504 CA HIS A 35 5.652 15.552 -0.760 1.00 0.00 C ATOM 505 C HIS A 35 4.374 16.386 -0.726 1.00 0.00 C ATOM 506 O HIS A 35 4.109 17.093 0.245 1.00 0.00 O ATOM 507 CB HIS A 35 5.313 14.089 -1.046 1.00 0.00 C ATOM 508 CG HIS A 35 6.370 13.372 -1.828 1.00 0.00 C ATOM 509 ND1 HIS A 35 6.882 13.848 -3.017 1.00 0.00 N ATOM 510 CD2 HIS A 35 7.014 12.206 -1.583 1.00 0.00 C ATOM 511 CE1 HIS A 35 7.793 13.006 -3.470 1.00 0.00 C ATOM 512 NE2 HIS A 35 7.894 12.002 -2.618 1.00 0.00 N ATOM 0 H HIS A 35 6.491 14.788 1.003 1.00 0.00 H new ATOM 0 HA HIS A 35 6.291 15.931 -1.557 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.156 13.569 -0.101 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.372 14.043 -1.595 1.00 0.00 H new ATOM 0 HD1 HIS A 35 6.601 14.715 -3.475 1.00 0.00 H new ATOM 0 HD2 HIS A 35 6.864 11.558 -0.733 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.359 13.119 -4.383 1.00 0.00 H new ATOM 521 N ALA A 36 3.587 16.297 -1.792 1.00 0.00 N ATOM 522 CA ALA A 36 2.336 17.040 -1.884 1.00 0.00 C ATOM 523 C ALA A 36 1.182 16.251 -1.274 1.00 0.00 C ATOM 524 O ALA A 36 1.380 15.166 -0.728 1.00 0.00 O ATOM 525 CB ALA A 36 2.033 17.388 -3.333 1.00 0.00 C ATOM 0 H ALA A 36 3.793 15.717 -2.605 1.00 0.00 H new ATOM 0 HA ALA A 36 2.449 17.964 -1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.096 17.943 -3.386 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.840 18.000 -3.737 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.946 16.472 -3.917 1.00 0.00 H new ATOM 531 N SER A 37 -0.023 16.804 -1.371 1.00 0.00 N ATOM 532 CA SER A 37 -1.208 16.153 -0.825 1.00 0.00 C ATOM 533 C SER A 37 -1.784 15.150 -1.819 1.00 0.00 C ATOM 534 O SER A 37 -2.993 14.923 -1.860 1.00 0.00 O ATOM 535 CB SER A 37 -2.267 17.197 -0.465 1.00 0.00 C ATOM 536 OG SER A 37 -1.690 18.294 0.221 1.00 0.00 O ATOM 0 H SER A 37 -0.204 17.701 -1.822 1.00 0.00 H new ATOM 0 HA SER A 37 -0.915 15.616 0.077 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.758 17.549 -1.372 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.036 16.739 0.157 1.00 0.00 H new ATOM 0 HG SER A 37 -2.387 18.947 0.438 1.00 0.00 H new ATOM 542 N GLY A 38 -0.908 14.551 -2.620 1.00 0.00 N ATOM 543 CA GLY A 38 -1.347 13.578 -3.603 1.00 0.00 C ATOM 544 C GLY A 38 -0.350 12.451 -3.790 1.00 0.00 C ATOM 545 O GLY A 38 -0.515 11.603 -4.667 1.00 0.00 O ATOM 0 H GLY A 38 0.097 14.722 -2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.306 13.163 -3.295 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.508 14.078 -4.558 1.00 0.00 H new ATOM 549 N THR A 39 0.691 12.441 -2.963 1.00 0.00 N ATOM 550 CA THR A 39 1.720 11.412 -3.041 1.00 0.00 C ATOM 551 C THR A 39 1.308 10.162 -2.274 1.00 0.00 C ATOM 552 O THR A 39 0.843 10.245 -1.136 1.00 0.00 O ATOM 553 CB THR A 39 3.066 11.920 -2.488 1.00 0.00 C ATOM 554 OG1 THR A 39 3.631 12.883 -3.384 1.00 0.00 O ATOM 555 CG2 THR A 39 4.040 10.767 -2.293 1.00 0.00 C ATOM 0 H THR A 39 0.843 13.135 -2.231 1.00 0.00 H new ATOM 0 HA THR A 39 1.839 11.164 -4.096 1.00 0.00 H new ATOM 0 HB THR A 39 2.884 12.388 -1.521 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.505 12.567 -3.695 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.983 11.149 -1.902 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.619 10.050 -1.588 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.217 10.274 -3.249 1.00 0.00 H new ATOM 563 N TYR A 40 1.480 9.004 -2.901 1.00 0.00 N ATOM 564 CA TYR A 40 1.123 7.735 -2.277 1.00 0.00 C ATOM 565 C TYR A 40 2.240 6.710 -2.451 1.00 0.00 C ATOM 566 O TYR A 40 3.183 6.923 -3.214 1.00 0.00 O ATOM 567 CB TYR A 40 -0.177 7.197 -2.875 1.00 0.00 C ATOM 568 CG TYR A 40 -0.011 6.616 -4.261 1.00 0.00 C ATOM 569 CD1 TYR A 40 0.157 7.441 -5.366 1.00 0.00 C ATOM 570 CD2 TYR A 40 -0.020 5.241 -4.466 1.00 0.00 C ATOM 571 CE1 TYR A 40 0.309 6.915 -6.635 1.00 0.00 C ATOM 572 CE2 TYR A 40 0.132 4.706 -5.730 1.00 0.00 C ATOM 573 CZ TYR A 40 0.295 5.547 -6.811 1.00 0.00 C ATOM 574 OH TYR A 40 0.447 5.018 -8.073 1.00 0.00 O ATOM 0 H TYR A 40 1.865 8.917 -3.842 1.00 0.00 H new ATOM 0 HA TYR A 40 0.979 7.910 -1.211 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.581 6.430 -2.214 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.910 8.003 -2.913 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.169 8.512 -5.231 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.148 4.580 -3.622 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.438 7.571 -7.483 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.123 3.635 -5.871 1.00 0.00 H new ATOM 0 HH TYR A 40 1.113 4.300 -8.049 1.00 0.00 H new ATOM 584 N LEU A 41 2.126 5.596 -1.736 1.00 0.00 N ATOM 585 CA LEU A 41 3.125 4.534 -1.811 1.00 0.00 C ATOM 586 C LEU A 41 2.650 3.288 -1.072 1.00 0.00 C ATOM 587 O LEU A 41 1.772 3.361 -0.211 1.00 0.00 O ATOM 588 CB LEU A 41 4.452 5.015 -1.222 1.00 0.00 C ATOM 589 CG LEU A 41 4.604 4.877 0.293 1.00 0.00 C ATOM 590 CD1 LEU A 41 5.217 3.532 0.649 1.00 0.00 C ATOM 591 CD2 LEU A 41 5.449 6.014 0.850 1.00 0.00 C ATOM 0 H LEU A 41 1.353 5.404 -1.098 1.00 0.00 H new ATOM 0 HA LEU A 41 3.271 4.278 -2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.260 4.461 -1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.585 6.064 -1.486 1.00 0.00 H new ATOM 0 HG LEU A 41 3.613 4.932 0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.317 3.453 1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.574 2.731 0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.200 3.446 0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.547 5.900 1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.438 5.991 0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.969 6.967 0.628 1.00 0.00 H new ATOM 603 N ILE A 42 3.235 2.145 -1.413 1.00 0.00 N ATOM 604 CA ILE A 42 2.875 0.882 -0.779 1.00 0.00 C ATOM 605 C ILE A 42 4.095 0.207 -0.165 1.00 0.00 C ATOM 606 O ILE A 42 4.972 -0.281 -0.879 1.00 0.00 O ATOM 607 CB ILE A 42 2.218 -0.084 -1.784 1.00 0.00 C ATOM 608 CG1 ILE A 42 0.807 0.394 -2.135 1.00 0.00 C ATOM 609 CG2 ILE A 42 2.179 -1.493 -1.214 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.763 1.324 -3.327 1.00 0.00 C ATOM 0 H ILE A 42 3.961 2.067 -2.125 1.00 0.00 H new ATOM 0 HA ILE A 42 2.159 1.117 0.009 1.00 0.00 H new ATOM 0 HB ILE A 42 2.814 -0.098 -2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.178 -0.473 -2.338 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.379 0.903 -1.271 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.712 -2.164 -1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.195 -1.831 -1.009 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.602 -1.496 -0.289 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.268 1.622 -3.518 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.365 2.209 -3.120 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.161 0.812 -4.203 1.00 0.00 H new ATOM 622 N ARG A 43 4.144 0.180 1.162 1.00 0.00 N ATOM 623 CA ARG A 43 5.258 -0.438 1.874 1.00 0.00 C ATOM 624 C ARG A 43 4.837 -1.768 2.492 1.00 0.00 C ATOM 625 O ARG A 43 3.654 -2.105 2.515 1.00 0.00 O ATOM 626 CB ARG A 43 5.778 0.501 2.963 1.00 0.00 C ATOM 627 CG ARG A 43 4.834 0.647 4.145 1.00 0.00 C ATOM 628 CD ARG A 43 5.045 1.968 4.867 1.00 0.00 C ATOM 629 NE ARG A 43 4.211 2.078 6.061 1.00 0.00 N ATOM 630 CZ ARG A 43 4.533 1.544 7.234 1.00 0.00 C ATOM 631 NH1 ARG A 43 5.665 0.866 7.369 1.00 0.00 N ATOM 632 NH2 ARG A 43 3.722 1.687 8.275 1.00 0.00 N ATOM 0 H ARG A 43 3.426 0.579 1.767 1.00 0.00 H new ATOM 0 HA ARG A 43 6.056 -0.627 1.156 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.739 0.132 3.320 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.956 1.484 2.528 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.803 0.581 3.798 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.990 -0.178 4.840 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.094 2.065 5.147 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.819 2.792 4.190 1.00 0.00 H new ATOM 0 HE ARG A 43 3.333 2.593 5.990 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.290 0.754 6.571 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.910 0.457 8.271 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.850 2.207 8.175 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.970 1.277 9.175 1.00 0.00 H new ATOM 646 N GLU A 44 5.815 -2.518 2.990 1.00 0.00 N ATOM 647 CA GLU A 44 5.546 -3.811 3.608 1.00 0.00 C ATOM 648 C GLU A 44 6.227 -3.917 4.969 1.00 0.00 C ATOM 649 O GLU A 44 7.299 -3.352 5.184 1.00 0.00 O ATOM 650 CB GLU A 44 6.023 -4.945 2.697 1.00 0.00 C ATOM 651 CG GLU A 44 6.445 -6.194 3.452 1.00 0.00 C ATOM 652 CD GLU A 44 6.679 -7.378 2.534 1.00 0.00 C ATOM 653 OE1 GLU A 44 7.413 -7.219 1.537 1.00 0.00 O ATOM 654 OE2 GLU A 44 6.128 -8.464 2.813 1.00 0.00 O ATOM 0 H GLU A 44 6.800 -2.253 2.978 1.00 0.00 H new ATOM 0 HA GLU A 44 4.469 -3.898 3.753 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.223 -5.203 2.003 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.863 -4.591 2.099 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.358 -5.986 4.010 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.677 -6.450 4.181 1.00 0.00 H new ATOM 749 N ARG A 51 1.551 -8.214 6.111 1.00 0.00 N ATOM 750 CA ARG A 51 2.844 -7.843 5.552 1.00 0.00 C ATOM 751 C ARG A 51 2.675 -6.875 4.384 1.00 0.00 C ATOM 752 O ARG A 51 3.364 -6.984 3.369 1.00 0.00 O ATOM 753 CB ARG A 51 3.600 -9.090 5.089 1.00 0.00 C ATOM 754 CG ARG A 51 2.957 -9.786 3.901 1.00 0.00 C ATOM 755 CD ARG A 51 3.943 -10.701 3.191 1.00 0.00 C ATOM 756 NE ARG A 51 3.652 -10.817 1.764 1.00 0.00 N ATOM 757 CZ ARG A 51 2.717 -11.619 1.268 1.00 0.00 C ATOM 758 NH1 ARG A 51 1.986 -12.373 2.079 1.00 0.00 N ATOM 759 NH2 ARG A 51 2.511 -11.670 -0.041 1.00 0.00 N ATOM 0 HA ARG A 51 3.420 -7.346 6.333 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.620 -8.810 4.826 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.666 -9.793 5.919 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.099 -10.367 4.239 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.582 -9.040 3.200 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.954 -10.317 3.325 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.914 -11.690 3.648 1.00 0.00 H new ATOM 0 HE ARG A 51 4.197 -10.251 1.113 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.141 -12.338 3.086 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.269 -12.988 1.695 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.071 -11.093 -0.668 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.792 -12.287 -0.421 1.00 0.00 H new ATOM 773 N PHE A 52 1.754 -5.930 4.535 1.00 0.00 N ATOM 774 CA PHE A 52 1.493 -4.944 3.493 1.00 0.00 C ATOM 775 C PHE A 52 0.812 -3.707 4.073 1.00 0.00 C ATOM 776 O PHE A 52 -0.082 -3.813 4.911 1.00 0.00 O ATOM 777 CB PHE A 52 0.621 -5.552 2.393 1.00 0.00 C ATOM 778 CG PHE A 52 1.362 -6.503 1.497 1.00 0.00 C ATOM 779 CD1 PHE A 52 2.614 -6.175 1.001 1.00 0.00 C ATOM 780 CD2 PHE A 52 0.807 -7.723 1.149 1.00 0.00 C ATOM 781 CE1 PHE A 52 3.299 -7.048 0.177 1.00 0.00 C ATOM 782 CE2 PHE A 52 1.487 -8.600 0.326 1.00 0.00 C ATOM 783 CZ PHE A 52 2.735 -8.262 -0.162 1.00 0.00 C ATOM 0 H PHE A 52 1.176 -5.826 5.369 1.00 0.00 H new ATOM 0 HA PHE A 52 2.449 -4.643 3.064 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.217 -6.077 2.853 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.201 -4.749 1.788 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.059 -5.226 1.261 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.169 -7.992 1.525 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.275 -6.781 -0.201 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.043 -9.549 0.064 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.268 -8.945 -0.807 1.00 0.00 H new ATOM 793 N ALA A 53 1.243 -2.535 3.619 1.00 0.00 N ATOM 794 CA ALA A 53 0.675 -1.278 4.091 1.00 0.00 C ATOM 795 C ALA A 53 0.787 -0.192 3.027 1.00 0.00 C ATOM 796 O ALA A 53 1.689 -0.220 2.188 1.00 0.00 O ATOM 797 CB ALA A 53 1.363 -0.836 5.373 1.00 0.00 C ATOM 0 H ALA A 53 1.983 -2.430 2.925 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.383 -1.441 4.297 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.929 0.104 5.714 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.227 -1.598 6.140 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.428 -0.697 5.185 1.00 0.00 H new ATOM 803 N ILE A 54 -0.134 0.765 3.065 1.00 0.00 N ATOM 804 CA ILE A 54 -0.138 1.861 2.103 1.00 0.00 C ATOM 805 C ILE A 54 0.004 3.208 2.805 1.00 0.00 C ATOM 806 O ILE A 54 -0.680 3.481 3.791 1.00 0.00 O ATOM 807 CB ILE A 54 -1.427 1.867 1.261 1.00 0.00 C ATOM 808 CG1 ILE A 54 -1.716 0.465 0.721 1.00 0.00 C ATOM 809 CG2 ILE A 54 -1.310 2.865 0.120 1.00 0.00 C ATOM 810 CD1 ILE A 54 -3.062 0.344 0.042 1.00 0.00 C ATOM 0 H ILE A 54 -0.887 0.804 3.752 1.00 0.00 H new ATOM 0 HA ILE A 54 0.716 1.705 1.443 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.258 2.169 1.899 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.935 0.189 0.013 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.667 -0.249 1.543 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.229 2.857 -0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.146 3.864 0.525 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.470 2.591 -0.519 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.199 -0.677 -0.316 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.851 0.588 0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.107 1.033 -0.801 1.00 0.00 H new ATOM 822 N SER A 55 0.895 4.047 2.288 1.00 0.00 N ATOM 823 CA SER A 55 1.128 5.366 2.865 1.00 0.00 C ATOM 824 C SER A 55 0.819 6.464 1.852 1.00 0.00 C ATOM 825 O SER A 55 1.375 6.485 0.753 1.00 0.00 O ATOM 826 CB SER A 55 2.577 5.489 3.340 1.00 0.00 C ATOM 827 OG SER A 55 2.680 6.381 4.436 1.00 0.00 O ATOM 0 H SER A 55 1.468 3.837 1.470 1.00 0.00 H new ATOM 0 HA SER A 55 0.461 5.485 3.719 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.953 4.508 3.629 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.203 5.841 2.520 1.00 0.00 H new ATOM 0 HG SER A 55 3.187 5.955 5.158 1.00 0.00 H new ATOM 833 N ILE A 56 -0.071 7.376 2.231 1.00 0.00 N ATOM 834 CA ILE A 56 -0.453 8.478 1.358 1.00 0.00 C ATOM 835 C ILE A 56 -0.536 9.790 2.131 1.00 0.00 C ATOM 836 O ILE A 56 -1.060 9.834 3.245 1.00 0.00 O ATOM 837 CB ILE A 56 -1.808 8.211 0.675 1.00 0.00 C ATOM 838 CG1 ILE A 56 -1.876 6.768 0.175 1.00 0.00 C ATOM 839 CG2 ILE A 56 -2.024 9.186 -0.473 1.00 0.00 C ATOM 840 CD1 ILE A 56 -2.179 5.764 1.265 1.00 0.00 C ATOM 0 H ILE A 56 -0.540 7.373 3.137 1.00 0.00 H new ATOM 0 HA ILE A 56 0.321 8.558 0.594 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.602 8.360 1.407 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.642 6.695 -0.597 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.926 6.509 -0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.985 8.985 -0.945 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.014 10.207 -0.090 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.227 9.066 -1.207 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.212 4.762 0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.401 5.808 2.027 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.143 5.998 1.717 1.00 0.00 H new ATOM 852 N LYS A 57 -0.017 10.857 1.534 1.00 0.00 N ATOM 853 CA LYS A 57 -0.035 12.172 2.165 1.00 0.00 C ATOM 854 C LYS A 57 -1.363 12.877 1.914 1.00 0.00 C ATOM 855 O LYS A 57 -1.789 13.034 0.769 1.00 0.00 O ATOM 856 CB LYS A 57 1.118 13.029 1.636 1.00 0.00 C ATOM 857 CG LYS A 57 1.060 14.476 2.094 1.00 0.00 C ATOM 858 CD LYS A 57 1.285 14.595 3.592 1.00 0.00 C ATOM 859 CE LYS A 57 1.563 16.034 4.000 1.00 0.00 C ATOM 860 NZ LYS A 57 0.774 17.003 3.189 1.00 0.00 N ATOM 0 H LYS A 57 0.422 10.837 0.613 1.00 0.00 H new ATOM 0 HA LYS A 57 0.085 12.034 3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.063 12.592 1.959 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.110 13.001 0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.815 15.057 1.564 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.091 14.902 1.836 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.407 14.228 4.123 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.123 13.963 3.887 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.324 16.165 5.055 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.626 16.245 3.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.886 17.959 3.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.115 16.992 2.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.231 16.736 3.210 1.00 0.00 H new ATOM 874 N PHE A 58 -2.014 13.303 2.991 1.00 0.00 N ATOM 875 CA PHE A 58 -3.295 13.994 2.888 1.00 0.00 C ATOM 876 C PHE A 58 -3.550 14.853 4.123 1.00 0.00 C ATOM 877 O PHE A 58 -3.164 14.493 5.234 1.00 0.00 O ATOM 878 CB PHE A 58 -4.430 12.983 2.713 1.00 0.00 C ATOM 879 CG PHE A 58 -5.767 13.621 2.460 1.00 0.00 C ATOM 880 CD1 PHE A 58 -6.000 14.331 1.294 1.00 0.00 C ATOM 881 CD2 PHE A 58 -6.788 13.509 3.390 1.00 0.00 C ATOM 882 CE1 PHE A 58 -7.229 14.919 1.058 1.00 0.00 C ATOM 883 CE2 PHE A 58 -8.019 14.094 3.159 1.00 0.00 C ATOM 884 CZ PHE A 58 -8.240 14.801 1.992 1.00 0.00 C ATOM 0 H PHE A 58 -1.676 13.182 3.946 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.260 14.646 2.015 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.190 12.319 1.882 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.495 12.363 3.607 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.213 14.426 0.561 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.620 12.959 4.304 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.398 15.470 0.145 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.808 13.999 3.890 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.201 15.260 1.811 1.00 0.00 H new ATOM 894 N ASN A 59 -4.203 15.992 3.918 1.00 0.00 N ATOM 895 CA ASN A 59 -4.510 16.905 5.013 1.00 0.00 C ATOM 896 C ASN A 59 -3.290 17.112 5.906 1.00 0.00 C ATOM 897 O ASN A 59 -3.355 16.910 7.119 1.00 0.00 O ATOM 898 CB ASN A 59 -5.678 16.366 5.843 1.00 0.00 C ATOM 899 CG ASN A 59 -7.023 16.807 5.301 1.00 0.00 C ATOM 900 OD1 ASN A 59 -7.877 15.980 4.979 1.00 0.00 O ATOM 901 ND2 ASN A 59 -7.220 18.116 5.197 1.00 0.00 N ATOM 0 H ASN A 59 -4.530 16.305 3.004 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.792 17.866 4.583 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.636 15.277 5.861 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.575 16.706 6.874 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.106 18.471 4.839 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -6.485 18.766 5.475 1.00 0.00 H new ATOM 908 N ASP A 60 -2.181 17.517 5.298 1.00 0.00 N ATOM 909 CA ASP A 60 -0.946 17.752 6.038 1.00 0.00 C ATOM 910 C ASP A 60 -0.696 16.637 7.049 1.00 0.00 C ATOM 911 O ASP A 60 -0.107 16.865 8.103 1.00 0.00 O ATOM 912 CB ASP A 60 -1.006 19.103 6.755 1.00 0.00 C ATOM 913 CG ASP A 60 -1.530 20.210 5.860 1.00 0.00 C ATOM 914 OD1 ASP A 60 -0.841 20.553 4.877 1.00 0.00 O ATOM 915 OD2 ASP A 60 -2.628 20.733 6.144 1.00 0.00 O ATOM 0 H ASP A 60 -2.111 17.690 4.295 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.121 17.763 5.325 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.645 19.017 7.634 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.010 19.367 7.110 1.00 0.00 H new ATOM 920 N GLU A 61 -1.149 15.433 6.717 1.00 0.00 N ATOM 921 CA GLU A 61 -0.975 14.283 7.597 1.00 0.00 C ATOM 922 C GLU A 61 -0.681 13.021 6.791 1.00 0.00 C ATOM 923 O GLU A 61 -1.218 12.827 5.700 1.00 0.00 O ATOM 924 CB GLU A 61 -2.226 14.074 8.453 1.00 0.00 C ATOM 925 CG GLU A 61 -2.363 15.077 9.586 1.00 0.00 C ATOM 926 CD GLU A 61 -3.424 14.678 10.593 1.00 0.00 C ATOM 927 OE1 GLU A 61 -4.588 14.485 10.184 1.00 0.00 O ATOM 928 OE2 GLU A 61 -3.090 14.559 11.790 1.00 0.00 O ATOM 0 H GLU A 61 -1.639 15.228 5.846 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.126 14.483 8.250 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.107 14.137 7.815 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.206 13.067 8.871 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.404 15.178 10.095 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.609 16.055 9.173 1.00 0.00 H new ATOM 935 N VAL A 62 0.178 12.165 7.336 1.00 0.00 N ATOM 936 CA VAL A 62 0.545 10.921 6.669 1.00 0.00 C ATOM 937 C VAL A 62 -0.174 9.731 7.294 1.00 0.00 C ATOM 938 O VAL A 62 0.163 9.295 8.395 1.00 0.00 O ATOM 939 CB VAL A 62 2.065 10.679 6.731 1.00 0.00 C ATOM 940 CG1 VAL A 62 2.413 9.319 6.147 1.00 0.00 C ATOM 941 CG2 VAL A 62 2.810 11.787 6.003 1.00 0.00 C ATOM 0 H VAL A 62 0.633 12.310 8.237 1.00 0.00 H new ATOM 0 HA VAL A 62 0.242 11.018 5.626 1.00 0.00 H new ATOM 0 HB VAL A 62 2.375 10.689 7.776 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.491 9.166 6.199 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.907 8.539 6.716 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.091 9.276 5.107 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.883 11.600 6.057 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.497 11.811 4.959 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.585 12.745 6.471 1.00 0.00 H new ATOM 951 N LYS A 63 -1.166 9.207 6.582 1.00 0.00 N ATOM 952 CA LYS A 63 -1.934 8.064 7.064 1.00 0.00 C ATOM 953 C LYS A 63 -1.213 6.756 6.756 1.00 0.00 C ATOM 954 O LYS A 63 -0.370 6.696 5.860 1.00 0.00 O ATOM 955 CB LYS A 63 -3.326 8.055 6.430 1.00 0.00 C ATOM 956 CG LYS A 63 -4.366 8.816 7.233 1.00 0.00 C ATOM 957 CD LYS A 63 -4.077 10.308 7.246 1.00 0.00 C ATOM 958 CE LYS A 63 -5.166 11.080 7.976 1.00 0.00 C ATOM 959 NZ LYS A 63 -5.004 11.002 9.455 1.00 0.00 N ATOM 0 H LYS A 63 -1.457 9.556 5.669 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.036 8.156 8.145 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.264 8.487 5.431 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.655 7.023 6.311 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.355 8.639 6.810 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.385 8.439 8.256 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.116 10.489 7.727 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.995 10.673 6.222 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.144 12.124 7.663 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.142 10.684 7.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.765 11.540 9.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.051 10.008 9.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.083 11.403 9.725 1.00 0.00 H new ATOM 973 N HIS A 64 -1.551 5.709 7.502 1.00 0.00 N ATOM 974 CA HIS A 64 -0.937 4.400 7.307 1.00 0.00 C ATOM 975 C HIS A 64 -1.999 3.305 7.257 1.00 0.00 C ATOM 976 O HIS A 64 -2.634 2.998 8.265 1.00 0.00 O ATOM 977 CB HIS A 64 0.061 4.109 8.427 1.00 0.00 C ATOM 978 CG HIS A 64 1.231 5.043 8.443 1.00 0.00 C ATOM 979 ND1 HIS A 64 2.330 4.888 7.624 1.00 0.00 N ATOM 980 CD2 HIS A 64 1.471 6.149 9.186 1.00 0.00 C ATOM 981 CE1 HIS A 64 3.195 5.857 7.863 1.00 0.00 C ATOM 982 NE2 HIS A 64 2.697 6.637 8.807 1.00 0.00 N ATOM 0 H HIS A 64 -2.247 5.741 8.247 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.407 4.412 6.354 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.454 4.168 9.386 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.424 3.087 8.323 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.819 6.569 9.937 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.147 5.990 7.371 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.150 7.466 9.191 1.00 0.00 H new ATOM 991 N ILE A 65 -2.184 2.721 6.077 1.00 0.00 N ATOM 992 CA ILE A 65 -3.167 1.660 5.897 1.00 0.00 C ATOM 993 C ILE A 65 -2.491 0.300 5.770 1.00 0.00 C ATOM 994 O ILE A 65 -1.321 0.208 5.397 1.00 0.00 O ATOM 995 CB ILE A 65 -4.038 1.906 4.651 1.00 0.00 C ATOM 996 CG1 ILE A 65 -4.557 3.346 4.641 1.00 0.00 C ATOM 997 CG2 ILE A 65 -5.196 0.920 4.612 1.00 0.00 C ATOM 998 CD1 ILE A 65 -4.803 3.889 3.251 1.00 0.00 C ATOM 0 H ILE A 65 -1.666 2.965 5.233 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.803 1.665 6.782 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.426 1.754 3.762 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.485 3.393 5.210 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.837 3.987 5.151 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.803 1.106 3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.807 -0.097 4.578 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.810 1.044 5.504 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.169 4.913 3.320 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.872 3.874 2.685 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.545 3.271 2.745 1.00 0.00 H new ATOM 1010 N LYS A 66 -3.235 -0.756 6.081 1.00 0.00 N ATOM 1011 CA LYS A 66 -2.711 -2.114 5.999 1.00 0.00 C ATOM 1012 C LYS A 66 -3.452 -2.921 4.938 1.00 0.00 C ATOM 1013 O LYS A 66 -4.614 -2.650 4.638 1.00 0.00 O ATOM 1014 CB LYS A 66 -2.826 -2.810 7.357 1.00 0.00 C ATOM 1015 CG LYS A 66 -4.238 -2.827 7.914 1.00 0.00 C ATOM 1016 CD LYS A 66 -5.004 -4.057 7.455 1.00 0.00 C ATOM 1017 CE LYS A 66 -4.827 -5.217 8.423 1.00 0.00 C ATOM 1018 NZ LYS A 66 -5.643 -5.040 9.656 1.00 0.00 N ATOM 0 H LYS A 66 -4.204 -0.697 6.393 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.660 -2.054 5.716 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.470 -3.836 7.261 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.170 -2.310 8.069 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.201 -2.806 9.003 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.766 -1.928 7.596 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.063 -3.815 7.365 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.659 -4.353 6.464 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.110 -6.147 7.931 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.775 -5.307 8.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.616 -5.914 10.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.257 -4.254 10.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.627 -4.828 9.394 1.00 0.00 H new ATOM 1032 N VAL A 67 -2.772 -3.914 4.373 1.00 0.00 N ATOM 1033 CA VAL A 67 -3.367 -4.762 3.348 1.00 0.00 C ATOM 1034 C VAL A 67 -3.193 -6.238 3.687 1.00 0.00 C ATOM 1035 O VAL A 67 -2.198 -6.860 3.311 1.00 0.00 O ATOM 1036 CB VAL A 67 -2.748 -4.488 1.964 1.00 0.00 C ATOM 1037 CG1 VAL A 67 -3.631 -5.053 0.862 1.00 0.00 C ATOM 1038 CG2 VAL A 67 -2.525 -2.996 1.767 1.00 0.00 C ATOM 0 H VAL A 67 -1.808 -4.151 4.608 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.430 -4.522 3.316 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.780 -4.987 1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.177 -4.850 -0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.735 -6.130 0.995 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.614 -4.585 0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.087 -2.820 0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.479 -2.473 1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.849 -2.624 2.537 1.00 0.00 H new ATOM 1048 N VAL A 68 -4.167 -6.795 4.399 1.00 0.00 N ATOM 1049 CA VAL A 68 -4.123 -8.200 4.787 1.00 0.00 C ATOM 1050 C VAL A 68 -4.478 -9.105 3.614 1.00 0.00 C ATOM 1051 O VAL A 68 -5.064 -8.660 2.628 1.00 0.00 O ATOM 1052 CB VAL A 68 -5.085 -8.489 5.955 1.00 0.00 C ATOM 1053 CG1 VAL A 68 -6.501 -8.699 5.441 1.00 0.00 C ATOM 1054 CG2 VAL A 68 -4.612 -9.699 6.746 1.00 0.00 C ATOM 0 H VAL A 68 -4.996 -6.295 4.719 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.102 -8.409 5.107 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.090 -7.626 6.621 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.166 -8.902 6.280 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.836 -7.802 4.921 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.517 -9.544 4.753 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.303 -9.889 7.567 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.577 -10.570 6.092 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.617 -9.506 7.146 1.00 0.00 H new ATOM 1064 N GLU A 69 -4.120 -10.381 3.728 1.00 0.00 N ATOM 1065 CA GLU A 69 -4.401 -11.350 2.675 1.00 0.00 C ATOM 1066 C GLU A 69 -5.105 -12.580 3.242 1.00 0.00 C ATOM 1067 O GLU A 69 -4.477 -13.434 3.870 1.00 0.00 O ATOM 1068 CB GLU A 69 -3.106 -11.767 1.975 1.00 0.00 C ATOM 1069 CG GLU A 69 -3.306 -12.202 0.534 1.00 0.00 C ATOM 1070 CD GLU A 69 -2.301 -13.250 0.096 1.00 0.00 C ATOM 1071 OE1 GLU A 69 -1.085 -12.992 0.216 1.00 0.00 O ATOM 1072 OE2 GLU A 69 -2.730 -14.327 -0.367 1.00 0.00 O ATOM 0 H GLU A 69 -3.635 -10.767 4.538 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.061 -10.877 1.948 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.405 -10.933 2.000 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.649 -12.585 2.532 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.314 -12.599 0.415 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.226 -11.332 -0.118 1.00 0.00 H new ATOM 1079 N LYS A 70 -6.412 -12.664 3.017 1.00 0.00 N ATOM 1080 CA LYS A 70 -7.201 -13.788 3.504 1.00 0.00 C ATOM 1081 C LYS A 70 -8.047 -14.384 2.382 1.00 0.00 C ATOM 1082 O LYS A 70 -8.460 -13.679 1.461 1.00 0.00 O ATOM 1083 CB LYS A 70 -8.105 -13.343 4.656 1.00 0.00 C ATOM 1084 CG LYS A 70 -8.426 -14.453 5.640 1.00 0.00 C ATOM 1085 CD LYS A 70 -7.328 -14.614 6.678 1.00 0.00 C ATOM 1086 CE LYS A 70 -7.870 -15.187 7.979 1.00 0.00 C ATOM 1087 NZ LYS A 70 -6.788 -15.770 8.820 1.00 0.00 N ATOM 0 H LYS A 70 -6.947 -11.966 2.500 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.514 -14.553 3.865 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.623 -12.524 5.190 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.036 -12.952 4.246 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.370 -14.236 6.139 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.558 -15.391 5.101 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.550 -15.269 6.287 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.863 -13.647 6.871 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.381 -14.402 8.537 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.611 -15.955 7.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.197 -16.150 9.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.317 -16.536 8.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.094 -15.032 9.053 1.00 0.00 H new ATOM 1101 N ASP A 71 -8.303 -15.685 2.469 1.00 0.00 N ATOM 1102 CA ASP A 71 -9.102 -16.375 1.462 1.00 0.00 C ATOM 1103 C ASP A 71 -8.610 -16.043 0.057 1.00 0.00 C ATOM 1104 O ASP A 71 -9.405 -15.767 -0.841 1.00 0.00 O ATOM 1105 CB ASP A 71 -10.577 -15.996 1.603 1.00 0.00 C ATOM 1106 CG ASP A 71 -11.188 -16.518 2.888 1.00 0.00 C ATOM 1107 OD1 ASP A 71 -11.609 -17.693 2.909 1.00 0.00 O ATOM 1108 OD2 ASP A 71 -11.248 -15.751 3.872 1.00 0.00 O ATOM 0 H ASP A 71 -7.969 -16.283 3.225 1.00 0.00 H new ATOM 0 HA ASP A 71 -8.994 -17.448 1.621 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -10.675 -14.911 1.572 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.133 -16.391 0.753 1.00 0.00 H new ATOM 1113 N ASN A 72 -7.294 -16.071 -0.127 1.00 0.00 N ATOM 1114 CA ASN A 72 -6.697 -15.771 -1.423 1.00 0.00 C ATOM 1115 C ASN A 72 -7.161 -14.411 -1.935 1.00 0.00 C ATOM 1116 O ASN A 72 -7.237 -14.184 -3.143 1.00 0.00 O ATOM 1117 CB ASN A 72 -7.055 -16.860 -2.437 1.00 0.00 C ATOM 1118 CG ASN A 72 -5.980 -17.045 -3.491 1.00 0.00 C ATOM 1119 OD1 ASN A 72 -6.066 -16.486 -4.585 1.00 0.00 O ATOM 1120 ND2 ASN A 72 -4.961 -17.831 -3.165 1.00 0.00 N ATOM 0 H ASN A 72 -6.621 -16.298 0.605 1.00 0.00 H new ATOM 0 HA ASN A 72 -5.615 -15.742 -1.298 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.212 -17.803 -1.913 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.997 -16.605 -2.923 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.207 -17.992 -3.833 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.932 -18.274 -2.246 1.00 0.00 H new ATOM 1127 N TRP A 73 -7.469 -13.511 -1.008 1.00 0.00 N ATOM 1128 CA TRP A 73 -7.926 -12.172 -1.366 1.00 0.00 C ATOM 1129 C TRP A 73 -7.142 -11.109 -0.605 1.00 0.00 C ATOM 1130 O TRP A 73 -6.324 -11.428 0.259 1.00 0.00 O ATOM 1131 CB TRP A 73 -9.421 -12.027 -1.077 1.00 0.00 C ATOM 1132 CG TRP A 73 -10.241 -13.168 -1.597 1.00 0.00 C ATOM 1133 CD1 TRP A 73 -11.167 -13.895 -0.905 1.00 0.00 C ATOM 1134 CD2 TRP A 73 -10.206 -13.715 -2.921 1.00 0.00 C ATOM 1135 NE1 TRP A 73 -11.710 -14.861 -1.718 1.00 0.00 N ATOM 1136 CE2 TRP A 73 -11.138 -14.771 -2.959 1.00 0.00 C ATOM 1137 CE3 TRP A 73 -9.481 -13.414 -4.076 1.00 0.00 C ATOM 1138 CZ2 TRP A 73 -11.360 -15.525 -4.109 1.00 0.00 C ATOM 1139 CZ3 TRP A 73 -9.702 -14.164 -5.216 1.00 0.00 C ATOM 1140 CH2 TRP A 73 -10.637 -15.209 -5.225 1.00 0.00 C ATOM 0 H TRP A 73 -7.411 -13.683 -0.004 1.00 0.00 H new ATOM 0 HA TRP A 73 -7.755 -12.029 -2.433 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.569 -11.944 -0.000 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -9.781 -11.099 -1.521 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -11.434 -13.734 0.129 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -12.423 -15.536 -1.442 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.760 -12.610 -4.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -12.078 -16.331 -4.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.145 -13.941 -6.114 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -10.789 -15.775 -6.132 1.00 0.00 H new ATOM 1151 N ILE A 74 -7.397 -9.846 -0.930 1.00 0.00 N ATOM 1152 CA ILE A 74 -6.716 -8.736 -0.275 1.00 0.00 C ATOM 1153 C ILE A 74 -7.693 -7.616 0.068 1.00 0.00 C ATOM 1154 O ILE A 74 -8.399 -7.106 -0.803 1.00 0.00 O ATOM 1155 CB ILE A 74 -5.590 -8.168 -1.158 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -4.296 -8.956 -0.943 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -5.373 -6.693 -0.855 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -3.409 -9.007 -2.166 1.00 0.00 C ATOM 0 H ILE A 74 -8.070 -9.566 -1.643 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.282 -9.130 0.644 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.884 -8.266 -2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.740 -8.508 -0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.546 -9.974 -0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.574 -6.305 -1.487 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -6.292 -6.142 -1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.097 -6.574 0.193 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.511 -9.581 -1.940 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.947 -9.482 -2.986 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.129 -7.994 -2.455 1.00 0.00 H new ATOM 1170 N HIS A 75 -7.728 -7.238 1.341 1.00 0.00 N ATOM 1171 CA HIS A 75 -8.617 -6.176 1.799 1.00 0.00 C ATOM 1172 C HIS A 75 -7.912 -5.274 2.807 1.00 0.00 C ATOM 1173 O HIS A 75 -6.806 -5.576 3.257 1.00 0.00 O ATOM 1174 CB HIS A 75 -9.878 -6.772 2.426 1.00 0.00 C ATOM 1175 CG HIS A 75 -9.715 -7.134 3.869 1.00 0.00 C ATOM 1176 ND1 HIS A 75 -9.827 -8.427 4.338 1.00 0.00 N ATOM 1177 CD2 HIS A 75 -9.444 -6.366 4.951 1.00 0.00 C ATOM 1178 CE1 HIS A 75 -9.635 -8.437 5.646 1.00 0.00 C ATOM 1179 NE2 HIS A 75 -9.401 -7.198 6.042 1.00 0.00 N ATOM 0 H HIS A 75 -7.151 -7.651 2.074 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.899 -5.575 0.935 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -10.695 -6.057 2.329 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -10.166 -7.662 1.867 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -9.290 -5.297 4.955 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -9.664 -9.309 6.282 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -9.218 -6.907 7.002 1.00 0.00 H new ATOM 1188 N ILE A 76 -8.557 -4.166 3.156 1.00 0.00 N ATOM 1189 CA ILE A 76 -7.991 -3.221 4.111 1.00 0.00 C ATOM 1190 C ILE A 76 -9.011 -2.842 5.178 1.00 0.00 C ATOM 1191 O ILE A 76 -10.153 -2.502 4.869 1.00 0.00 O ATOM 1192 CB ILE A 76 -7.497 -1.941 3.410 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -8.601 -1.360 2.524 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -6.251 -2.234 2.588 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -8.534 0.144 2.384 1.00 0.00 C ATOM 0 H ILE A 76 -9.472 -3.901 2.792 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.143 -3.717 4.583 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.242 -1.204 4.171 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.537 -1.812 1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.571 -1.635 2.938 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.914 -1.320 2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.463 -2.607 3.242 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.482 -2.986 1.833 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.346 0.486 1.743 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.629 0.605 3.367 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.579 0.426 1.941 1.00 0.00 H new ATOM 1207 N THR A 77 -8.590 -2.899 6.438 1.00 0.00 N ATOM 1208 CA THR A 77 -9.465 -2.562 7.554 1.00 0.00 C ATOM 1209 C THR A 77 -10.839 -3.201 7.387 1.00 0.00 C ATOM 1210 O THR A 77 -11.859 -2.591 7.704 1.00 0.00 O ATOM 1211 CB THR A 77 -9.635 -1.037 7.692 1.00 0.00 C ATOM 1212 OG1 THR A 77 -10.401 -0.733 8.863 1.00 0.00 O ATOM 1213 CG2 THR A 77 -10.322 -0.455 6.466 1.00 0.00 C ATOM 0 H THR A 77 -7.647 -3.176 6.711 1.00 0.00 H new ATOM 0 HA THR A 77 -8.993 -2.952 8.456 1.00 0.00 H new ATOM 0 HB THR A 77 -8.645 -0.591 7.780 1.00 0.00 H new ATOM 0 HG1 THR A 77 -11.201 -1.299 8.887 1.00 0.00 H new ATOM 0 HG21 THR A 77 -10.431 0.623 6.587 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.722 -0.662 5.580 1.00 0.00 H new ATOM 0 HG23 THR A 77 -11.307 -0.908 6.351 1.00 0.00 H new ATOM 1221 N GLU A 78 -10.856 -4.433 6.889 1.00 0.00 N ATOM 1222 CA GLU A 78 -12.107 -5.155 6.682 1.00 0.00 C ATOM 1223 C GLU A 78 -13.142 -4.264 6.002 1.00 0.00 C ATOM 1224 O GLU A 78 -14.335 -4.350 6.291 1.00 0.00 O ATOM 1225 CB GLU A 78 -12.654 -5.667 8.016 1.00 0.00 C ATOM 1226 CG GLU A 78 -11.744 -6.671 8.703 1.00 0.00 C ATOM 1227 CD GLU A 78 -12.290 -7.134 10.039 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -12.130 -6.395 11.033 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -12.876 -8.236 10.091 1.00 0.00 O ATOM 0 H GLU A 78 -10.020 -4.952 6.622 1.00 0.00 H new ATOM 0 HA GLU A 78 -11.903 -6.006 6.032 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -12.814 -4.819 8.682 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.627 -6.128 7.847 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.605 -7.535 8.052 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -10.762 -6.223 8.852 1.00 0.00 H new ATOM 1236 N ALA A 79 -12.676 -3.410 5.098 1.00 0.00 N ATOM 1237 CA ALA A 79 -13.562 -2.504 4.375 1.00 0.00 C ATOM 1238 C ALA A 79 -13.927 -3.068 3.007 1.00 0.00 C ATOM 1239 O ALA A 79 -15.058 -3.500 2.782 1.00 0.00 O ATOM 1240 CB ALA A 79 -12.911 -1.137 4.228 1.00 0.00 C ATOM 0 H ALA A 79 -11.691 -3.326 4.848 1.00 0.00 H new ATOM 0 HA ALA A 79 -14.481 -2.397 4.951 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.583 -0.471 3.687 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.707 -0.723 5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.976 -1.237 3.676 1.00 0.00 H new ATOM 1246 N LYS A 80 -12.962 -3.064 2.093 1.00 0.00 N ATOM 1247 CA LYS A 80 -13.181 -3.576 0.746 1.00 0.00 C ATOM 1248 C LYS A 80 -12.141 -4.633 0.389 1.00 0.00 C ATOM 1249 O LYS A 80 -10.942 -4.427 0.579 1.00 0.00 O ATOM 1250 CB LYS A 80 -13.131 -2.432 -0.271 1.00 0.00 C ATOM 1251 CG LYS A 80 -13.228 -2.897 -1.714 1.00 0.00 C ATOM 1252 CD LYS A 80 -14.672 -3.094 -2.141 1.00 0.00 C ATOM 1253 CE LYS A 80 -14.817 -3.045 -3.654 1.00 0.00 C ATOM 1254 NZ LYS A 80 -14.617 -4.385 -4.273 1.00 0.00 N ATOM 0 H LYS A 80 -12.020 -2.711 2.261 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.168 -4.038 0.716 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -13.947 -1.739 -0.066 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.201 -1.879 -0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -12.752 -2.165 -2.366 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.682 -3.833 -1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.035 -4.053 -1.770 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.295 -2.322 -1.689 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.807 -2.670 -3.912 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.092 -2.343 -4.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.403 -4.272 -5.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.825 -4.870 -3.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.483 -4.951 -4.164 1.00 0.00 H new ATOM 1268 N LYS A 81 -12.606 -5.764 -0.129 1.00 0.00 N ATOM 1269 CA LYS A 81 -11.717 -6.853 -0.515 1.00 0.00 C ATOM 1270 C LYS A 81 -11.384 -6.782 -2.001 1.00 0.00 C ATOM 1271 O LYS A 81 -12.071 -6.110 -2.771 1.00 0.00 O ATOM 1272 CB LYS A 81 -12.359 -8.203 -0.188 1.00 0.00 C ATOM 1273 CG LYS A 81 -12.941 -8.277 1.212 1.00 0.00 C ATOM 1274 CD LYS A 81 -13.678 -9.586 1.442 1.00 0.00 C ATOM 1275 CE LYS A 81 -12.715 -10.759 1.539 1.00 0.00 C ATOM 1276 NZ LYS A 81 -12.150 -10.899 2.910 1.00 0.00 N ATOM 0 H LYS A 81 -13.595 -5.951 -0.292 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.791 -6.752 0.052 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.149 -8.405 -0.912 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.612 -8.988 -0.304 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.141 -8.175 1.945 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.624 -7.442 1.368 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.264 -9.518 2.359 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.381 -9.757 0.626 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.233 -11.678 1.264 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.904 -10.623 0.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -11.498 -11.709 2.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.635 -10.032 3.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.922 -11.054 3.589 1.00 0.00 H new ATOM 1290 N PHE A 82 -10.326 -7.481 -2.400 1.00 0.00 N ATOM 1291 CA PHE A 82 -9.902 -7.498 -3.795 1.00 0.00 C ATOM 1292 C PHE A 82 -9.174 -8.797 -4.127 1.00 0.00 C ATOM 1293 O PHE A 82 -8.857 -9.588 -3.238 1.00 0.00 O ATOM 1294 CB PHE A 82 -8.994 -6.302 -4.089 1.00 0.00 C ATOM 1295 CG PHE A 82 -9.746 -5.024 -4.327 1.00 0.00 C ATOM 1296 CD1 PHE A 82 -10.355 -4.780 -5.548 1.00 0.00 C ATOM 1297 CD2 PHE A 82 -9.842 -4.065 -3.332 1.00 0.00 C ATOM 1298 CE1 PHE A 82 -11.047 -3.604 -5.770 1.00 0.00 C ATOM 1299 CE2 PHE A 82 -10.532 -2.887 -3.548 1.00 0.00 C ATOM 1300 CZ PHE A 82 -11.137 -2.657 -4.768 1.00 0.00 C ATOM 0 H PHE A 82 -9.747 -8.043 -1.777 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.793 -7.432 -4.420 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.309 -6.161 -3.253 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.385 -6.525 -4.965 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.288 -5.517 -6.335 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -9.372 -4.240 -2.376 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.517 -3.426 -6.726 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -10.598 -2.147 -2.764 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.679 -1.739 -4.938 1.00 0.00 H new ATOM 1310 N ASP A 83 -8.914 -9.011 -5.412 1.00 0.00 N ATOM 1311 CA ASP A 83 -8.223 -10.213 -5.863 1.00 0.00 C ATOM 1312 C ASP A 83 -6.737 -10.146 -5.523 1.00 0.00 C ATOM 1313 O ASP A 83 -6.118 -11.159 -5.193 1.00 0.00 O ATOM 1314 CB ASP A 83 -8.406 -10.399 -7.369 1.00 0.00 C ATOM 1315 CG ASP A 83 -8.236 -9.102 -8.137 1.00 0.00 C ATOM 1316 OD1 ASP A 83 -7.090 -8.782 -8.515 1.00 0.00 O ATOM 1317 OD2 ASP A 83 -9.251 -8.408 -8.361 1.00 0.00 O ATOM 0 H ASP A 83 -9.172 -8.367 -6.160 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.658 -11.067 -5.344 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.684 -11.130 -7.732 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.398 -10.806 -7.564 1.00 0.00 H new ATOM 1322 N SER A 84 -6.170 -8.947 -5.607 1.00 0.00 N ATOM 1323 CA SER A 84 -4.755 -8.748 -5.313 1.00 0.00 C ATOM 1324 C SER A 84 -4.481 -7.301 -4.915 1.00 0.00 C ATOM 1325 O SER A 84 -5.394 -6.475 -4.863 1.00 0.00 O ATOM 1326 CB SER A 84 -3.902 -9.126 -6.525 1.00 0.00 C ATOM 1327 OG SER A 84 -3.653 -10.521 -6.559 1.00 0.00 O ATOM 0 H SER A 84 -6.668 -8.099 -5.876 1.00 0.00 H new ATOM 0 HA SER A 84 -4.489 -9.393 -4.476 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.410 -8.822 -7.440 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.956 -8.585 -6.491 1.00 0.00 H new ATOM 0 HG SER A 84 -4.369 -10.993 -6.085 1.00 0.00 H new ATOM 1333 N LEU A 85 -3.218 -7.000 -4.635 1.00 0.00 N ATOM 1334 CA LEU A 85 -2.821 -5.652 -4.241 1.00 0.00 C ATOM 1335 C LEU A 85 -2.902 -4.694 -5.425 1.00 0.00 C ATOM 1336 O LEU A 85 -3.382 -3.567 -5.294 1.00 0.00 O ATOM 1337 CB LEU A 85 -1.400 -5.663 -3.675 1.00 0.00 C ATOM 1338 CG LEU A 85 -0.675 -4.317 -3.659 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -1.291 -3.391 -2.622 1.00 0.00 C ATOM 1340 CD2 LEU A 85 0.808 -4.515 -3.384 1.00 0.00 C ATOM 0 H LEU A 85 -2.451 -7.671 -4.673 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.510 -5.307 -3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.439 -6.044 -2.655 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.804 -6.367 -4.256 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.785 -3.855 -4.640 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.762 -2.438 -2.625 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.341 -3.224 -2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.212 -3.846 -1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.309 -3.547 -3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.937 -4.998 -2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.242 -5.142 -4.163 1.00 0.00 H new ATOM 1352 N LEU A 86 -2.432 -5.149 -6.582 1.00 0.00 N ATOM 1353 CA LEU A 86 -2.452 -4.333 -7.790 1.00 0.00 C ATOM 1354 C LEU A 86 -3.844 -3.760 -8.036 1.00 0.00 C ATOM 1355 O LEU A 86 -3.994 -2.574 -8.327 1.00 0.00 O ATOM 1356 CB LEU A 86 -2.008 -5.162 -8.997 1.00 0.00 C ATOM 1357 CG LEU A 86 -2.025 -4.445 -10.347 1.00 0.00 C ATOM 1358 CD1 LEU A 86 -1.147 -3.204 -10.304 1.00 0.00 C ATOM 1359 CD2 LEU A 86 -1.572 -5.383 -11.456 1.00 0.00 C ATOM 0 H LEU A 86 -2.032 -6.079 -6.708 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.757 -3.505 -7.651 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.996 -5.522 -8.812 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.651 -6.039 -9.066 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.048 -4.134 -10.558 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.172 -2.707 -11.274 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.517 -2.523 -9.538 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.122 -3.491 -10.070 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.591 -4.855 -12.409 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.558 -5.726 -11.251 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.243 -6.241 -11.503 1.00 0.00 H new ATOM 1371 N GLU A 87 -4.858 -4.610 -7.916 1.00 0.00 N ATOM 1372 CA GLU A 87 -6.238 -4.188 -8.125 1.00 0.00 C ATOM 1373 C GLU A 87 -6.665 -3.180 -7.061 1.00 0.00 C ATOM 1374 O GLU A 87 -7.156 -2.096 -7.378 1.00 0.00 O ATOM 1375 CB GLU A 87 -7.175 -5.397 -8.103 1.00 0.00 C ATOM 1376 CG GLU A 87 -7.397 -6.020 -9.471 1.00 0.00 C ATOM 1377 CD GLU A 87 -8.169 -5.110 -10.407 1.00 0.00 C ATOM 1378 OE1 GLU A 87 -9.417 -5.162 -10.387 1.00 0.00 O ATOM 1379 OE2 GLU A 87 -7.527 -4.348 -11.160 1.00 0.00 O ATOM 0 H GLU A 87 -4.750 -5.595 -7.675 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.300 -3.709 -9.102 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.765 -6.152 -7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.137 -5.093 -7.691 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.432 -6.261 -9.918 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.938 -6.959 -9.355 1.00 0.00 H new ATOM 1386 N LEU A 88 -6.475 -3.547 -5.799 1.00 0.00 N ATOM 1387 CA LEU A 88 -6.840 -2.676 -4.686 1.00 0.00 C ATOM 1388 C LEU A 88 -6.299 -1.266 -4.897 1.00 0.00 C ATOM 1389 O LEU A 88 -6.907 -0.285 -4.471 1.00 0.00 O ATOM 1390 CB LEU A 88 -6.310 -3.248 -3.370 1.00 0.00 C ATOM 1391 CG LEU A 88 -6.367 -2.313 -2.161 1.00 0.00 C ATOM 1392 CD1 LEU A 88 -6.484 -3.112 -0.873 1.00 0.00 C ATOM 1393 CD2 LEU A 88 -5.138 -1.416 -2.123 1.00 0.00 C ATOM 0 H LEU A 88 -6.071 -4.441 -5.520 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.928 -2.623 -4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.876 -4.149 -3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.274 -3.553 -3.520 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.251 -1.682 -2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.523 -2.430 -0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.393 -3.712 -0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.619 -3.768 -0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.195 -0.757 -1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.241 -2.031 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.097 -0.817 -3.032 1.00 0.00 H new ATOM 1405 N VAL A 89 -5.150 -1.172 -5.560 1.00 0.00 N ATOM 1406 CA VAL A 89 -4.527 0.117 -5.831 1.00 0.00 C ATOM 1407 C VAL A 89 -5.212 0.825 -6.995 1.00 0.00 C ATOM 1408 O VAL A 89 -5.517 2.014 -6.917 1.00 0.00 O ATOM 1409 CB VAL A 89 -3.028 -0.039 -6.150 1.00 0.00 C ATOM 1410 CG1 VAL A 89 -2.399 1.316 -6.435 1.00 0.00 C ATOM 1411 CG2 VAL A 89 -2.310 -0.740 -5.006 1.00 0.00 C ATOM 0 H VAL A 89 -4.632 -1.974 -5.919 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.638 0.717 -4.928 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.926 -0.655 -7.044 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.340 1.186 -6.658 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.896 1.775 -7.289 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.509 1.959 -5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.252 -0.842 -5.248 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.419 -0.153 -4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.744 -1.728 -4.855 1.00 0.00 H new ATOM 1421 N GLU A 90 -5.450 0.085 -8.073 1.00 0.00 N ATOM 1422 CA GLU A 90 -6.099 0.642 -9.254 1.00 0.00 C ATOM 1423 C GLU A 90 -7.467 1.221 -8.900 1.00 0.00 C ATOM 1424 O GLU A 90 -7.972 2.111 -9.584 1.00 0.00 O ATOM 1425 CB GLU A 90 -6.250 -0.430 -10.335 1.00 0.00 C ATOM 1426 CG GLU A 90 -4.934 -0.843 -10.970 1.00 0.00 C ATOM 1427 CD GLU A 90 -5.098 -1.304 -12.405 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -5.526 -2.459 -12.613 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -4.797 -0.510 -13.321 1.00 0.00 O ATOM 0 H GLU A 90 -5.203 -0.901 -8.153 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.471 1.446 -9.637 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.725 -1.309 -9.899 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.918 -0.059 -11.112 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.241 -0.003 -10.939 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.488 -1.646 -10.383 1.00 0.00 H new ATOM 1436 N TYR A 91 -8.061 0.707 -7.829 1.00 0.00 N ATOM 1437 CA TYR A 91 -9.371 1.169 -7.387 1.00 0.00 C ATOM 1438 C TYR A 91 -9.273 2.548 -6.742 1.00 0.00 C ATOM 1439 O TYR A 91 -10.040 3.454 -7.069 1.00 0.00 O ATOM 1440 CB TYR A 91 -9.978 0.173 -6.398 1.00 0.00 C ATOM 1441 CG TYR A 91 -11.490 0.187 -6.376 1.00 0.00 C ATOM 1442 CD1 TYR A 91 -12.225 -0.265 -7.466 1.00 0.00 C ATOM 1443 CD2 TYR A 91 -12.185 0.651 -5.265 1.00 0.00 C ATOM 1444 CE1 TYR A 91 -13.606 -0.254 -7.451 1.00 0.00 C ATOM 1445 CE2 TYR A 91 -13.566 0.665 -5.242 1.00 0.00 C ATOM 1446 CZ TYR A 91 -14.272 0.212 -6.337 1.00 0.00 C ATOM 1447 OH TYR A 91 -15.648 0.225 -6.316 1.00 0.00 O ATOM 0 H TYR A 91 -7.656 -0.030 -7.251 1.00 0.00 H new ATOM 0 HA TYR A 91 -10.017 1.242 -8.262 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.636 -0.831 -6.650 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.606 0.395 -5.398 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.707 -0.631 -8.340 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -11.636 1.006 -4.406 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -14.161 -0.608 -8.307 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -14.091 1.029 -4.371 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.959 0.582 -5.458 1.00 0.00 H new ATOM 1457 N TYR A 92 -8.324 2.699 -5.825 1.00 0.00 N ATOM 1458 CA TYR A 92 -8.126 3.967 -5.133 1.00 0.00 C ATOM 1459 C TYR A 92 -7.421 4.976 -6.034 1.00 0.00 C ATOM 1460 O TYR A 92 -7.456 6.179 -5.782 1.00 0.00 O ATOM 1461 CB TYR A 92 -7.311 3.751 -3.856 1.00 0.00 C ATOM 1462 CG TYR A 92 -7.928 2.750 -2.905 1.00 0.00 C ATOM 1463 CD1 TYR A 92 -9.306 2.675 -2.743 1.00 0.00 C ATOM 1464 CD2 TYR A 92 -7.133 1.879 -2.170 1.00 0.00 C ATOM 1465 CE1 TYR A 92 -9.874 1.762 -1.876 1.00 0.00 C ATOM 1466 CE2 TYR A 92 -7.693 0.963 -1.301 1.00 0.00 C ATOM 1467 CZ TYR A 92 -9.063 0.909 -1.156 1.00 0.00 C ATOM 1468 OH TYR A 92 -9.626 -0.003 -0.292 1.00 0.00 O ATOM 0 H TYR A 92 -7.680 1.960 -5.544 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.106 4.366 -4.870 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.311 3.413 -4.126 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.197 4.705 -3.342 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.944 3.342 -3.304 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.059 1.919 -2.280 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.947 1.716 -1.762 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.061 0.292 -0.738 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.254 -0.893 -0.467 1.00 0.00 H new ATOM 1478 N GLN A 93 -6.782 4.474 -7.087 1.00 0.00 N ATOM 1479 CA GLN A 93 -6.070 5.331 -8.026 1.00 0.00 C ATOM 1480 C GLN A 93 -7.014 6.347 -8.661 1.00 0.00 C ATOM 1481 O GLN A 93 -6.587 7.415 -9.102 1.00 0.00 O ATOM 1482 CB GLN A 93 -5.404 4.487 -9.115 1.00 0.00 C ATOM 1483 CG GLN A 93 -3.990 4.050 -8.767 1.00 0.00 C ATOM 1484 CD GLN A 93 -3.146 3.774 -9.995 1.00 0.00 C ATOM 1485 OE1 GLN A 93 -3.463 4.225 -11.095 1.00 0.00 O ATOM 1486 NE2 GLN A 93 -2.063 3.026 -9.812 1.00 0.00 N ATOM 0 H GLN A 93 -6.743 3.479 -7.310 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.302 5.872 -7.474 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.013 3.603 -9.301 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.381 5.059 -10.043 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.511 4.825 -8.168 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.033 3.152 -8.151 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.838 2.673 -8.882 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.456 2.805 -10.602 1.00 0.00 H new ATOM 1495 N CYS A 94 -8.298 6.009 -8.703 1.00 0.00 N ATOM 1496 CA CYS A 94 -9.303 6.891 -9.285 1.00 0.00 C ATOM 1497 C CYS A 94 -10.416 7.182 -8.283 1.00 0.00 C ATOM 1498 O CYS A 94 -11.103 8.199 -8.381 1.00 0.00 O ATOM 1499 CB CYS A 94 -9.891 6.265 -10.550 1.00 0.00 C ATOM 1500 SG CYS A 94 -8.885 6.516 -12.033 1.00 0.00 S ATOM 0 H CYS A 94 -8.668 5.130 -8.341 1.00 0.00 H new ATOM 0 HA CYS A 94 -8.818 7.831 -9.546 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -10.019 5.195 -10.387 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -10.883 6.682 -10.722 1.00 0.00 H new ATOM 0 HG CYS A 94 -9.463 5.949 -13.050 1.00 0.00 H new ATOM 1506 N HIS A 95 -10.590 6.281 -7.321 1.00 0.00 N ATOM 1507 CA HIS A 95 -11.621 6.440 -6.302 1.00 0.00 C ATOM 1508 C HIS A 95 -11.010 6.886 -4.977 1.00 0.00 C ATOM 1509 O HIS A 95 -10.021 6.314 -4.515 1.00 0.00 O ATOM 1510 CB HIS A 95 -12.385 5.130 -6.110 1.00 0.00 C ATOM 1511 CG HIS A 95 -12.573 4.356 -7.378 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -12.464 2.982 -7.444 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -12.866 4.769 -8.633 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -12.680 2.585 -8.686 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -12.926 3.650 -9.427 1.00 0.00 N ATOM 0 H HIS A 95 -10.030 5.434 -7.226 1.00 0.00 H new ATOM 0 HA HIS A 95 -12.315 7.210 -6.639 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -11.851 4.509 -5.391 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -13.362 5.348 -5.679 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -12.250 2.369 -6.657 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -13.023 5.789 -8.951 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -12.659 1.563 -9.035 1.00 0.00 H new ATOM 1524 N SER A 96 -11.604 7.908 -4.369 1.00 0.00 N ATOM 1525 CA SER A 96 -11.116 8.432 -3.099 1.00 0.00 C ATOM 1526 C SER A 96 -11.071 7.335 -2.040 1.00 0.00 C ATOM 1527 O SER A 96 -11.884 6.410 -2.052 1.00 0.00 O ATOM 1528 CB SER A 96 -12.005 9.581 -2.622 1.00 0.00 C ATOM 1529 OG SER A 96 -11.344 10.364 -1.643 1.00 0.00 O ATOM 0 H SER A 96 -12.425 8.390 -4.736 1.00 0.00 H new ATOM 0 HA SER A 96 -10.104 8.805 -3.253 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.280 10.209 -3.470 1.00 0.00 H new ATOM 0 HB3 SER A 96 -12.931 9.181 -2.208 1.00 0.00 H new ATOM 0 HG SER A 96 -11.932 11.093 -1.355 1.00 0.00 H new ATOM 1535 N LEU A 97 -10.115 7.444 -1.125 1.00 0.00 N ATOM 1536 CA LEU A 97 -9.961 6.462 -0.056 1.00 0.00 C ATOM 1537 C LEU A 97 -11.006 6.677 1.035 1.00 0.00 C ATOM 1538 O LEU A 97 -10.971 6.028 2.080 1.00 0.00 O ATOM 1539 CB LEU A 97 -8.557 6.546 0.543 1.00 0.00 C ATOM 1540 CG LEU A 97 -7.487 5.687 -0.133 1.00 0.00 C ATOM 1541 CD1 LEU A 97 -6.099 6.102 0.332 1.00 0.00 C ATOM 1542 CD2 LEU A 97 -7.728 4.212 0.151 1.00 0.00 C ATOM 0 H LEU A 97 -9.434 8.203 -1.101 1.00 0.00 H new ATOM 0 HA LEU A 97 -10.107 5.470 -0.484 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.232 7.586 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -8.614 6.260 1.593 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.550 5.843 -1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.350 5.481 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.927 7.148 0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.024 5.976 1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.957 3.617 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.693 4.038 1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.707 3.923 -0.232 1.00 0.00 H new ATOM 1554 N LYS A 98 -11.938 7.591 0.783 1.00 0.00 N ATOM 1555 CA LYS A 98 -12.995 7.890 1.741 1.00 0.00 C ATOM 1556 C LYS A 98 -13.919 6.690 1.923 1.00 0.00 C ATOM 1557 O LYS A 98 -14.462 6.473 3.006 1.00 0.00 O ATOM 1558 CB LYS A 98 -13.803 9.104 1.277 1.00 0.00 C ATOM 1559 CG LYS A 98 -14.958 8.750 0.357 1.00 0.00 C ATOM 1560 CD LYS A 98 -15.765 9.980 -0.025 1.00 0.00 C ATOM 1561 CE LYS A 98 -15.224 10.629 -1.290 1.00 0.00 C ATOM 1562 NZ LYS A 98 -15.893 11.930 -1.575 1.00 0.00 N ATOM 0 H LYS A 98 -11.982 8.137 -0.077 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.529 8.116 2.700 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.192 9.626 2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.138 9.797 0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -14.573 8.272 -0.544 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.608 8.026 0.849 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.808 9.700 -0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.743 10.700 0.793 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -14.151 10.787 -1.187 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -15.367 9.954 -2.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -15.497 12.341 -2.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -16.914 11.776 -1.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -15.735 12.583 -0.781 1.00 0.00 H new ATOM 1576 N GLU A 99 -14.091 5.914 0.858 1.00 0.00 N ATOM 1577 CA GLU A 99 -14.949 4.735 0.902 1.00 0.00 C ATOM 1578 C GLU A 99 -14.707 3.933 2.176 1.00 0.00 C ATOM 1579 O GLU A 99 -15.643 3.411 2.782 1.00 0.00 O ATOM 1580 CB GLU A 99 -14.705 3.853 -0.324 1.00 0.00 C ATOM 1581 CG GLU A 99 -13.236 3.564 -0.583 1.00 0.00 C ATOM 1582 CD GLU A 99 -12.963 3.168 -2.020 1.00 0.00 C ATOM 1583 OE1 GLU A 99 -13.065 1.963 -2.334 1.00 0.00 O ATOM 1584 OE2 GLU A 99 -12.648 4.063 -2.832 1.00 0.00 O ATOM 0 H GLU A 99 -13.648 6.080 -0.046 1.00 0.00 H new ATOM 0 HA GLU A 99 -15.986 5.072 0.897 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -15.235 2.909 -0.194 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -15.131 4.339 -1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -12.647 4.447 -0.336 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.905 2.764 0.079 1.00 0.00 H new ATOM 1591 N SER A 100 -13.443 3.840 2.578 1.00 0.00 N ATOM 1592 CA SER A 100 -13.075 3.098 3.779 1.00 0.00 C ATOM 1593 C SER A 100 -12.812 4.047 4.945 1.00 0.00 C ATOM 1594 O SER A 100 -13.227 3.789 6.075 1.00 0.00 O ATOM 1595 CB SER A 100 -11.837 2.240 3.515 1.00 0.00 C ATOM 1596 OG SER A 100 -12.005 1.445 2.354 1.00 0.00 O ATOM 0 H SER A 100 -12.657 4.269 2.090 1.00 0.00 H new ATOM 0 HA SER A 100 -13.909 2.448 4.044 1.00 0.00 H new ATOM 0 HB2 SER A 100 -10.964 2.882 3.397 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.646 1.598 4.375 1.00 0.00 H new ATOM 0 HG SER A 100 -11.491 0.616 2.448 1.00 0.00 H new ATOM 1602 N PHE A 101 -12.120 5.144 4.661 1.00 0.00 N ATOM 1603 CA PHE A 101 -11.798 6.132 5.685 1.00 0.00 C ATOM 1604 C PHE A 101 -12.376 7.498 5.323 1.00 0.00 C ATOM 1605 O PHE A 101 -11.701 8.330 4.717 1.00 0.00 O ATOM 1606 CB PHE A 101 -10.282 6.238 5.864 1.00 0.00 C ATOM 1607 CG PHE A 101 -9.583 4.909 5.856 1.00 0.00 C ATOM 1608 CD1 PHE A 101 -9.576 4.108 6.986 1.00 0.00 C ATOM 1609 CD2 PHE A 101 -8.934 4.460 4.717 1.00 0.00 C ATOM 1610 CE1 PHE A 101 -8.933 2.885 6.981 1.00 0.00 C ATOM 1611 CE2 PHE A 101 -8.289 3.237 4.706 1.00 0.00 C ATOM 1612 CZ PHE A 101 -8.290 2.449 5.839 1.00 0.00 C ATOM 0 H PHE A 101 -11.771 5.372 3.730 1.00 0.00 H new ATOM 0 HA PHE A 101 -12.245 5.805 6.624 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -9.873 6.860 5.068 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.070 6.745 6.805 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.079 4.443 7.881 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.932 5.072 3.827 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -8.933 2.271 7.869 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.785 2.899 3.812 1.00 0.00 H new ATOM 0 HZ PHE A 101 -7.789 1.492 5.833 1.00 0.00 H new ATOM 1622 N LYS A 102 -13.631 7.720 5.699 1.00 0.00 N ATOM 1623 CA LYS A 102 -14.301 8.984 5.417 1.00 0.00 C ATOM 1624 C LYS A 102 -13.365 10.163 5.661 1.00 0.00 C ATOM 1625 O LYS A 102 -13.204 11.028 4.799 1.00 0.00 O ATOM 1626 CB LYS A 102 -15.555 9.126 6.284 1.00 0.00 C ATOM 1627 CG LYS A 102 -15.282 8.991 7.771 1.00 0.00 C ATOM 1628 CD LYS A 102 -16.572 8.909 8.570 1.00 0.00 C ATOM 1629 CE LYS A 102 -17.119 10.292 8.889 1.00 0.00 C ATOM 1630 NZ LYS A 102 -18.530 10.237 9.359 1.00 0.00 N ATOM 0 H LYS A 102 -14.204 7.041 6.200 1.00 0.00 H new ATOM 0 HA LYS A 102 -14.591 8.985 4.366 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -16.011 10.098 6.093 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -16.281 8.369 5.986 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -14.683 8.098 7.952 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.695 9.843 8.113 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -17.315 8.344 8.007 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -16.393 8.365 9.497 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -16.500 10.759 9.654 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -17.057 10.921 8.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -18.865 11.200 9.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -19.126 9.814 8.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -18.586 9.658 10.221 1.00 0.00 H new ATOM 1644 N GLN A 103 -12.750 10.191 6.838 1.00 0.00 N ATOM 1645 CA GLN A 103 -11.830 11.265 7.193 1.00 0.00 C ATOM 1646 C GLN A 103 -10.785 11.471 6.101 1.00 0.00 C ATOM 1647 O GLN A 103 -10.351 12.595 5.847 1.00 0.00 O ATOM 1648 CB GLN A 103 -11.139 10.953 8.522 1.00 0.00 C ATOM 1649 CG GLN A 103 -12.099 10.853 9.698 1.00 0.00 C ATOM 1650 CD GLN A 103 -11.396 10.518 10.998 1.00 0.00 C ATOM 1651 OE1 GLN A 103 -11.200 9.348 11.328 1.00 0.00 O ATOM 1652 NE2 GLN A 103 -11.010 11.546 11.746 1.00 0.00 N ATOM 0 H GLN A 103 -12.872 9.483 7.562 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.407 12.184 7.297 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -10.594 10.014 8.427 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -10.402 11.729 8.730 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -12.630 11.798 9.810 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -12.848 10.089 9.487 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -11.192 12.500 11.435 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -10.531 11.381 12.631 1.00 0.00 H new ATOM 1661 N LEU A 104 -10.387 10.380 5.458 1.00 0.00 N ATOM 1662 CA LEU A 104 -9.393 10.440 4.391 1.00 0.00 C ATOM 1663 C LEU A 104 -10.065 10.474 3.022 1.00 0.00 C ATOM 1664 O LEU A 104 -10.673 9.493 2.593 1.00 0.00 O ATOM 1665 CB LEU A 104 -8.448 9.240 4.478 1.00 0.00 C ATOM 1666 CG LEU A 104 -7.057 9.436 3.875 1.00 0.00 C ATOM 1667 CD1 LEU A 104 -6.109 10.035 4.902 1.00 0.00 C ATOM 1668 CD2 LEU A 104 -6.512 8.114 3.351 1.00 0.00 C ATOM 0 H LEU A 104 -10.737 9.443 5.656 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.818 11.357 4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.332 8.970 5.528 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.922 8.393 3.981 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.139 10.130 3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.124 10.167 4.454 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.491 11.002 5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.031 9.366 5.759 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.521 8.272 2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.445 7.398 4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.179 7.725 2.582 1.00 0.00 H new ATOM 1680 N ASP A 105 -9.947 11.608 2.340 1.00 0.00 N ATOM 1681 CA ASP A 105 -10.540 11.768 1.017 1.00 0.00 C ATOM 1682 C ASP A 105 -9.482 12.163 -0.009 1.00 0.00 C ATOM 1683 O ASP A 105 -9.321 13.341 -0.329 1.00 0.00 O ATOM 1684 CB ASP A 105 -11.648 12.822 1.057 1.00 0.00 C ATOM 1685 CG ASP A 105 -12.669 12.550 2.143 1.00 0.00 C ATOM 1686 OD1 ASP A 105 -12.421 12.942 3.303 1.00 0.00 O ATOM 1687 OD2 ASP A 105 -13.716 11.943 1.834 1.00 0.00 O ATOM 0 H ASP A 105 -9.447 12.429 2.681 1.00 0.00 H new ATOM 0 HA ASP A 105 -10.969 10.811 0.719 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -11.205 13.805 1.218 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.150 12.853 0.090 1.00 0.00 H new ATOM 1692 N THR A 106 -8.762 11.169 -0.519 1.00 0.00 N ATOM 1693 CA THR A 106 -7.718 11.413 -1.507 1.00 0.00 C ATOM 1694 C THR A 106 -7.536 10.207 -2.422 1.00 0.00 C ATOM 1695 O THR A 106 -7.946 9.094 -2.092 1.00 0.00 O ATOM 1696 CB THR A 106 -6.371 11.738 -0.833 1.00 0.00 C ATOM 1697 OG1 THR A 106 -5.430 12.192 -1.812 1.00 0.00 O ATOM 1698 CG2 THR A 106 -5.816 10.517 -0.115 1.00 0.00 C ATOM 0 H THR A 106 -8.882 10.189 -0.265 1.00 0.00 H new ATOM 0 HA THR A 106 -8.037 12.271 -2.098 1.00 0.00 H new ATOM 0 HB THR A 106 -6.538 12.526 -0.099 1.00 0.00 H new ATOM 0 HG1 THR A 106 -4.577 12.398 -1.375 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.865 10.771 0.353 1.00 0.00 H new ATOM 0 HG22 THR A 106 -6.522 10.193 0.650 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.663 9.711 -0.833 1.00 0.00 H new ATOM 1706 N THR A 107 -6.916 10.434 -3.576 1.00 0.00 N ATOM 1707 CA THR A 107 -6.679 9.367 -4.541 1.00 0.00 C ATOM 1708 C THR A 107 -5.216 9.325 -4.967 1.00 0.00 C ATOM 1709 O THR A 107 -4.584 10.365 -5.154 1.00 0.00 O ATOM 1710 CB THR A 107 -7.562 9.535 -5.792 1.00 0.00 C ATOM 1711 OG1 THR A 107 -7.248 10.765 -6.452 1.00 0.00 O ATOM 1712 CG2 THR A 107 -9.037 9.516 -5.419 1.00 0.00 C ATOM 0 H THR A 107 -6.569 11.348 -3.865 1.00 0.00 H new ATOM 0 HA THR A 107 -6.937 8.431 -4.046 1.00 0.00 H new ATOM 0 HB THR A 107 -7.362 8.701 -6.465 1.00 0.00 H new ATOM 0 HG1 THR A 107 -7.813 10.863 -7.247 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.641 9.636 -6.318 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.280 8.566 -4.943 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.248 10.332 -4.728 1.00 0.00 H new ATOM 1720 N LEU A 108 -4.684 8.117 -5.121 1.00 0.00 N ATOM 1721 CA LEU A 108 -3.294 7.940 -5.527 1.00 0.00 C ATOM 1722 C LEU A 108 -2.988 8.743 -6.787 1.00 0.00 C ATOM 1723 O LEU A 108 -3.322 8.328 -7.896 1.00 0.00 O ATOM 1724 CB LEU A 108 -2.998 6.459 -5.767 1.00 0.00 C ATOM 1725 CG LEU A 108 -3.579 5.483 -4.742 1.00 0.00 C ATOM 1726 CD1 LEU A 108 -3.147 4.059 -5.057 1.00 0.00 C ATOM 1727 CD2 LEU A 108 -3.154 5.872 -3.335 1.00 0.00 C ATOM 0 H LEU A 108 -5.194 7.246 -4.971 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.656 8.306 -4.722 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.378 6.188 -6.752 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.917 6.325 -5.794 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.666 5.532 -4.798 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.570 3.379 -4.318 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.502 3.782 -6.050 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.059 3.994 -5.030 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.576 5.167 -2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.066 5.852 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.514 6.876 -3.111 1.00 0.00 H new ATOM 1739 N LYS A 109 -2.350 9.894 -6.608 1.00 0.00 N ATOM 1740 CA LYS A 109 -1.994 10.754 -7.731 1.00 0.00 C ATOM 1741 C LYS A 109 -0.572 10.471 -8.205 1.00 0.00 C ATOM 1742 O LYS A 109 -0.366 9.949 -9.301 1.00 0.00 O ATOM 1743 CB LYS A 109 -2.126 12.226 -7.333 1.00 0.00 C ATOM 1744 CG LYS A 109 -3.504 12.807 -7.600 1.00 0.00 C ATOM 1745 CD LYS A 109 -3.771 14.029 -6.736 1.00 0.00 C ATOM 1746 CE LYS A 109 -4.360 13.640 -5.389 1.00 0.00 C ATOM 1747 NZ LYS A 109 -4.862 14.825 -4.641 1.00 0.00 N ATOM 0 H LYS A 109 -2.069 10.253 -5.696 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.680 10.541 -8.551 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.897 12.329 -6.272 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.383 12.809 -7.878 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -3.588 13.079 -8.652 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -4.263 12.050 -7.405 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.842 14.578 -6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -4.456 14.700 -7.254 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -5.176 12.933 -5.540 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.602 13.130 -4.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -4.343 14.915 -3.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -4.718 15.682 -5.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -5.876 14.707 -4.444 1.00 0.00 H new ATOM 1761 N TYR A 110 0.404 10.816 -7.372 1.00 0.00 N ATOM 1762 CA TYR A 110 1.806 10.599 -7.708 1.00 0.00 C ATOM 1763 C TYR A 110 2.458 9.632 -6.725 1.00 0.00 C ATOM 1764 O TYR A 110 2.081 9.546 -5.557 1.00 0.00 O ATOM 1765 CB TYR A 110 2.563 11.929 -7.710 1.00 0.00 C ATOM 1766 CG TYR A 110 1.793 13.063 -8.346 1.00 0.00 C ATOM 1767 CD1 TYR A 110 1.876 13.306 -9.712 1.00 0.00 C ATOM 1768 CD2 TYR A 110 0.980 13.892 -7.582 1.00 0.00 C ATOM 1769 CE1 TYR A 110 1.175 14.342 -10.297 1.00 0.00 C ATOM 1770 CE2 TYR A 110 0.274 14.930 -8.159 1.00 0.00 C ATOM 1771 CZ TYR A 110 0.375 15.150 -9.517 1.00 0.00 C ATOM 1772 OH TYR A 110 -0.327 16.183 -10.096 1.00 0.00 O ATOM 0 H TYR A 110 0.250 11.247 -6.460 1.00 0.00 H new ATOM 0 HA TYR A 110 1.851 10.161 -8.705 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.809 12.199 -6.683 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.507 11.800 -8.240 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.500 12.674 -10.327 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.899 13.722 -6.519 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.253 14.518 -11.360 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -0.353 15.565 -7.551 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.842 16.654 -9.408 1.00 0.00 H new ATOM 1782 N PRO A 111 3.462 8.885 -7.209 1.00 0.00 N ATOM 1783 CA PRO A 111 4.189 7.911 -6.390 1.00 0.00 C ATOM 1784 C PRO A 111 5.065 8.578 -5.335 1.00 0.00 C ATOM 1785 O PRO A 111 4.894 9.758 -5.029 1.00 0.00 O ATOM 1786 CB PRO A 111 5.055 7.167 -7.411 1.00 0.00 C ATOM 1787 CG PRO A 111 5.234 8.133 -8.530 1.00 0.00 C ATOM 1788 CD PRO A 111 3.965 8.936 -8.592 1.00 0.00 C ATOM 0 HA PRO A 111 3.513 7.264 -5.830 1.00 0.00 H new ATOM 0 HB2 PRO A 111 6.014 6.877 -6.981 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.569 6.253 -7.751 1.00 0.00 H new ATOM 0 HG2 PRO A 111 6.095 8.778 -8.355 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.412 7.612 -9.471 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.153 9.960 -8.914 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.252 8.507 -9.295 1.00 0.00 H new ATOM 1796 N TYR A 112 6.000 7.815 -4.780 1.00 0.00 N ATOM 1797 CA TYR A 112 6.901 8.333 -3.757 1.00 0.00 C ATOM 1798 C TYR A 112 8.278 8.627 -4.342 1.00 0.00 C ATOM 1799 O TYR A 112 8.490 8.514 -5.549 1.00 0.00 O ATOM 1800 CB TYR A 112 7.026 7.334 -2.606 1.00 0.00 C ATOM 1801 CG TYR A 112 8.158 6.347 -2.782 1.00 0.00 C ATOM 1802 CD1 TYR A 112 8.217 5.519 -3.895 1.00 0.00 C ATOM 1803 CD2 TYR A 112 9.168 6.241 -1.832 1.00 0.00 C ATOM 1804 CE1 TYR A 112 9.249 4.615 -4.060 1.00 0.00 C ATOM 1805 CE2 TYR A 112 10.203 5.341 -1.990 1.00 0.00 C ATOM 1806 CZ TYR A 112 10.240 4.531 -3.105 1.00 0.00 C ATOM 1807 OH TYR A 112 11.270 3.632 -3.264 1.00 0.00 O ATOM 0 H TYR A 112 6.154 6.836 -5.021 1.00 0.00 H new ATOM 0 HA TYR A 112 6.482 9.265 -3.377 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.174 7.881 -1.675 1.00 0.00 H new ATOM 0 HB3 TYR A 112 6.089 6.786 -2.508 1.00 0.00 H new ATOM 0 HD1 TYR A 112 7.443 5.583 -4.645 1.00 0.00 H new ATOM 0 HD2 TYR A 112 9.142 6.873 -0.957 1.00 0.00 H new ATOM 0 HE1 TYR A 112 9.279 3.978 -4.932 1.00 0.00 H new ATOM 0 HE2 TYR A 112 10.980 5.272 -1.243 1.00 0.00 H new ATOM 0 HH TYR A 112 11.884 3.700 -2.503 1.00 0.00 H new ATOM 1817 N SER A 113 9.213 9.008 -3.476 1.00 0.00 N ATOM 1818 CA SER A 113 10.570 9.322 -3.905 1.00 0.00 C ATOM 1819 C SER A 113 11.315 8.057 -4.322 1.00 0.00 C ATOM 1820 O SER A 113 12.021 7.447 -3.520 1.00 0.00 O ATOM 1821 CB SER A 113 11.332 10.030 -2.783 1.00 0.00 C ATOM 1822 OG SER A 113 11.146 11.434 -2.848 1.00 0.00 O ATOM 0 H SER A 113 9.055 9.106 -2.473 1.00 0.00 H new ATOM 0 HA SER A 113 10.507 9.986 -4.767 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.991 9.659 -1.817 1.00 0.00 H new ATOM 0 HB3 SER A 113 12.394 9.797 -2.857 1.00 0.00 H new ATOM 0 HG SER A 113 10.190 11.641 -2.784 1.00 0.00 H new