USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 567 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 14 MET CE :methyl 168:sc= 0 (180deg=-0.018) USER MOD Set 1.2: A 73 GLN : amide:sc= -0.0325 X(o=-0.033,f=-0.21) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 15 CYS SG : rot 71:sc= -1.48! USER MOD Single : A 16 MET CE :methyl -161:sc= -0.0228 (180deg=-0.497) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot -15:sc= -0.155 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 110:sc= -0.023 USER MOD Single : A 44 SER OG : rot 34:sc= 0.295 USER MOD Single : A 47 ASN : amide:sc= -0.272 K(o=-0.27,f=-1.5!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 163:sc= -0.0773 (180deg=-0.439) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.295 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc=-0.00721 X(o=-0.0072,f=-0.1) USER MOD Single : A 68 MET CE :methyl 166:sc= -2.21 (180deg=-2.34) USER MOD Single : A 70 MET CE :methyl 168:sc=-0.00308 (180deg=-0.179) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 8 -1.542 0.655 2.214 1.00 0.00 N ATOM 2 CA ILE A 8 -0.253 0.959 1.604 1.00 0.00 C ATOM 3 C ILE A 8 0.337 2.242 2.176 1.00 0.00 C ATOM 4 O ILE A 8 1.543 2.332 2.408 1.00 0.00 O ATOM 5 CB ILE A 8 -0.386 1.091 0.076 1.00 0.00 C ATOM 6 CG1 ILE A 8 -0.780 -0.252 -0.543 1.00 0.00 C ATOM 7 CG2 ILE A 8 0.914 1.599 -0.529 1.00 0.00 C ATOM 8 CD1 ILE A 8 -1.178 -0.160 -1.999 1.00 0.00 C ATOM 0 HA ILE A 8 0.418 0.131 1.833 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.172 1.814 -0.143 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.056 -0.945 -0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.609 -0.674 0.025 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.803 1.686 -1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.154 2.576 -0.109 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.719 0.899 -0.303 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.444 -1.151 -2.367 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.035 0.506 -2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.343 0.231 -2.580 1.00 0.00 H new ATOM 20 N GLY A 9 -0.519 3.232 2.402 1.00 0.00 N ATOM 21 CA GLY A 9 -0.086 4.507 2.960 1.00 0.00 C ATOM 22 C GLY A 9 0.623 4.312 4.295 1.00 0.00 C ATOM 23 O GLY A 9 1.601 4.996 4.595 1.00 0.00 O ATOM 0 H GLY A 9 -1.519 3.176 2.207 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.584 5.005 2.259 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.949 5.160 3.095 1.00 0.00 H new ATOM 27 N TRP A 10 0.123 3.374 5.092 1.00 0.00 N ATOM 28 CA TRP A 10 0.744 3.044 6.370 1.00 0.00 C ATOM 29 C TRP A 10 2.212 2.680 6.190 1.00 0.00 C ATOM 30 O TRP A 10 3.081 3.203 6.887 1.00 0.00 O ATOM 31 CB TRP A 10 0.004 1.884 7.038 1.00 0.00 C ATOM 32 CG TRP A 10 -1.298 2.284 7.663 1.00 0.00 C ATOM 33 CD1 TRP A 10 -1.820 3.542 7.723 1.00 0.00 C ATOM 34 CD2 TRP A 10 -2.254 1.421 8.323 1.00 0.00 C ATOM 35 NE1 TRP A 10 -3.030 3.521 8.373 1.00 0.00 N ATOM 36 CE2 TRP A 10 -3.312 2.231 8.745 1.00 0.00 C ATOM 37 CE3 TRP A 10 -2.298 0.045 8.584 1.00 0.00 C ATOM 38 CZ2 TRP A 10 -4.407 1.715 9.420 1.00 0.00 C ATOM 39 CZ3 TRP A 10 -3.397 -0.472 9.260 1.00 0.00 C ATOM 40 CH2 TRP A 10 -4.424 0.342 9.666 1.00 0.00 C ATOM 0 H TRP A 10 -0.711 2.828 4.876 1.00 0.00 H new ATOM 0 HA TRP A 10 0.682 3.926 7.008 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -0.182 1.107 6.296 1.00 0.00 H new ATOM 0 HB3 TRP A 10 0.646 1.447 7.803 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -1.351 4.426 7.318 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -3.622 4.332 8.550 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -1.493 -0.601 8.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -5.217 2.352 9.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -3.443 -1.531 9.469 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -5.265 -0.090 10.188 1.00 0.00 H new ATOM 51 N LEU A 11 2.482 1.779 5.252 1.00 0.00 N ATOM 52 CA LEU A 11 3.838 1.296 5.021 1.00 0.00 C ATOM 53 C LEU A 11 4.728 2.399 4.463 1.00 0.00 C ATOM 54 O LEU A 11 5.901 2.505 4.821 1.00 0.00 O ATOM 55 CB LEU A 11 3.820 0.107 4.053 1.00 0.00 C ATOM 56 CG LEU A 11 5.175 -0.569 3.803 1.00 0.00 C ATOM 57 CD1 LEU A 11 5.732 -1.091 5.120 1.00 0.00 C ATOM 58 CD2 LEU A 11 5.002 -1.697 2.797 1.00 0.00 C ATOM 0 H LEU A 11 1.778 1.368 4.638 1.00 0.00 H new ATOM 0 HA LEU A 11 4.246 0.976 5.980 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.127 -0.641 4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.422 0.447 3.097 1.00 0.00 H new ATOM 0 HG LEU A 11 5.881 0.152 3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.694 -1.571 4.943 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.863 -0.261 5.814 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.038 -1.815 5.547 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.964 -2.177 2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.298 -2.430 3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.620 -1.293 1.860 1.00 0.00 H new ATOM 70 N GLN A 12 4.164 3.220 3.584 1.00 0.00 N ATOM 71 CA GLN A 12 4.884 4.358 3.026 1.00 0.00 C ATOM 72 C GLN A 12 5.325 5.322 4.120 1.00 0.00 C ATOM 73 O GLN A 12 6.448 5.826 4.101 1.00 0.00 O ATOM 74 CB GLN A 12 4.015 5.093 2.001 1.00 0.00 C ATOM 75 CG GLN A 12 3.811 4.335 0.701 1.00 0.00 C ATOM 76 CD GLN A 12 2.882 5.062 -0.253 1.00 0.00 C ATOM 77 OE1 GLN A 12 2.247 6.055 0.113 1.00 0.00 O ATOM 78 NE2 GLN A 12 2.797 4.571 -1.484 1.00 0.00 N ATOM 0 H GLN A 12 3.208 3.118 3.242 1.00 0.00 H new ATOM 0 HA GLN A 12 5.775 3.975 2.528 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.041 5.297 2.446 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.472 6.057 1.779 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.776 4.182 0.218 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.403 3.348 0.919 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.340 3.748 -1.743 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.188 5.017 -2.170 1.00 0.00 H new ATOM 87 N GLU A 13 4.435 5.575 5.073 1.00 0.00 N ATOM 88 CA GLU A 13 4.758 6.413 6.221 1.00 0.00 C ATOM 89 C GLU A 13 5.874 5.798 7.055 1.00 0.00 C ATOM 90 O GLU A 13 6.821 6.482 7.443 1.00 0.00 O ATOM 91 CB GLU A 13 3.518 6.628 7.091 1.00 0.00 C ATOM 92 CG GLU A 13 2.465 7.537 6.471 1.00 0.00 C ATOM 93 CD GLU A 13 1.184 7.569 7.257 1.00 0.00 C ATOM 94 OE1 GLU A 13 1.077 6.837 8.212 1.00 0.00 O ATOM 95 OE2 GLU A 13 0.311 8.326 6.902 1.00 0.00 O1- ATOM 0 H GLU A 13 3.482 5.211 5.073 1.00 0.00 H new ATOM 0 HA GLU A 13 5.102 7.376 5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.065 5.659 7.303 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.828 7.051 8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.864 8.548 6.395 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.254 7.201 5.456 1.00 0.00 H new ATOM 102 N MET A 14 5.758 4.503 7.327 1.00 0.00 N ATOM 103 CA MET A 14 6.813 3.766 8.012 1.00 0.00 C ATOM 104 C MET A 14 8.165 3.998 7.350 1.00 0.00 C ATOM 105 O MET A 14 9.141 4.347 8.015 1.00 0.00 O ATOM 106 CB MET A 14 6.483 2.275 8.040 1.00 0.00 C ATOM 107 CG MET A 14 7.488 1.421 8.801 1.00 0.00 C ATOM 108 SD MET A 14 7.454 1.727 10.578 1.00 0.00 S ATOM 109 CE MET A 14 6.084 0.688 11.075 1.00 0.00 C ATOM 0 H MET A 14 4.942 3.941 7.083 1.00 0.00 H new ATOM 0 HA MET A 14 6.873 4.134 9.036 1.00 0.00 H new ATOM 0 HB2 MET A 14 5.499 2.142 8.489 1.00 0.00 H new ATOM 0 HB3 MET A 14 6.418 1.911 7.015 1.00 0.00 H new ATOM 0 HG2 MET A 14 7.280 0.368 8.613 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.490 1.620 8.421 1.00 0.00 H new ATOM 0 HE1 MET A 14 6.069 0.600 12.161 1.00 0.00 H new ATOM 0 HE2 MET A 14 5.149 1.132 10.734 1.00 0.00 H new ATOM 0 HE3 MET A 14 6.199 -0.302 10.632 1.00 0.00 H new ATOM 119 N CYS A 15 8.217 3.804 6.036 1.00 0.00 N ATOM 120 CA CYS A 15 9.458 3.961 5.287 1.00 0.00 C ATOM 121 C CYS A 15 10.031 5.362 5.457 1.00 0.00 C ATOM 122 O CYS A 15 11.213 5.527 5.758 1.00 0.00 O ATOM 123 CB CYS A 15 9.226 3.688 3.800 1.00 0.00 C ATOM 124 SG CYS A 15 8.783 1.975 3.424 1.00 0.00 S ATOM 0 H CYS A 15 7.413 3.538 5.468 1.00 0.00 H new ATOM 0 HA CYS A 15 10.172 3.239 5.682 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.433 4.344 3.440 1.00 0.00 H new ATOM 0 HB3 CYS A 15 10.130 3.948 3.249 1.00 0.00 H new ATOM 0 HG CYS A 15 7.581 1.733 3.856 1.00 0.00 H new ATOM 130 N MET A 16 9.186 6.369 5.263 1.00 0.00 N ATOM 131 CA MET A 16 9.616 7.759 5.357 1.00 0.00 C ATOM 132 C MET A 16 10.165 8.073 6.743 1.00 0.00 C ATOM 133 O MET A 16 11.182 8.753 6.879 1.00 0.00 O ATOM 134 CB MET A 16 8.457 8.694 5.018 1.00 0.00 C ATOM 135 CG MET A 16 8.075 8.713 3.544 1.00 0.00 C ATOM 136 SD MET A 16 6.901 10.025 3.148 1.00 0.00 S ATOM 137 CE MET A 16 5.400 9.363 3.864 1.00 0.00 C ATOM 0 H MET A 16 8.198 6.248 5.039 1.00 0.00 H new ATOM 0 HA MET A 16 10.418 7.915 4.636 1.00 0.00 H new ATOM 0 HB2 MET A 16 7.586 8.400 5.603 1.00 0.00 H new ATOM 0 HB3 MET A 16 8.720 9.706 5.326 1.00 0.00 H new ATOM 0 HG2 MET A 16 8.974 8.841 2.941 1.00 0.00 H new ATOM 0 HG3 MET A 16 7.643 7.750 3.272 1.00 0.00 H new ATOM 0 HE1 MET A 16 4.537 9.865 3.428 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.340 8.294 3.659 1.00 0.00 H new ATOM 0 HE3 MET A 16 5.408 9.526 4.942 1.00 0.00 H new ATOM 147 N GLN A 17 9.485 7.575 7.770 1.00 0.00 N ATOM 148 CA GLN A 17 9.888 7.824 9.149 1.00 0.00 C ATOM 149 C GLN A 17 11.261 7.230 9.437 1.00 0.00 C ATOM 150 O GLN A 17 12.083 7.844 10.116 1.00 0.00 O ATOM 151 CB GLN A 17 8.855 7.248 10.121 1.00 0.00 C ATOM 152 CG GLN A 17 7.551 8.026 10.177 1.00 0.00 C ATOM 153 CD GLN A 17 6.514 7.355 11.058 1.00 0.00 C ATOM 154 OE1 GLN A 17 6.736 6.257 11.576 1.00 0.00 O ATOM 155 NE2 GLN A 17 5.374 8.013 11.233 1.00 0.00 N ATOM 0 H GLN A 17 8.651 6.996 7.673 1.00 0.00 H new ATOM 0 HA GLN A 17 9.946 8.903 9.289 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.639 6.218 9.836 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.290 7.217 11.120 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.746 9.031 10.552 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.152 8.134 9.168 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.234 8.919 10.785 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.638 7.613 11.815 1.00 0.00 H new ATOM 164 N ARG A 18 11.503 6.032 8.916 1.00 0.00 N ATOM 165 CA ARG A 18 12.762 5.335 9.150 1.00 0.00 C ATOM 166 C ARG A 18 13.774 5.646 8.054 1.00 0.00 C ATOM 167 O ARG A 18 14.870 5.085 8.032 1.00 0.00 O ATOM 168 CB ARG A 18 12.538 3.832 9.218 1.00 0.00 C ATOM 169 CG ARG A 18 11.677 3.366 10.381 1.00 0.00 C ATOM 170 CD ARG A 18 11.599 1.884 10.448 1.00 0.00 C ATOM 171 NE ARG A 18 10.743 1.434 11.533 1.00 0.00 N ATOM 172 CZ ARG A 18 10.460 0.144 11.800 1.00 0.00 C ATOM 173 NH1 ARG A 18 10.970 -0.809 11.053 1.00 0.00 N1+ ATOM 174 NH2 ARG A 18 9.668 -0.163 12.813 1.00 0.00 N ATOM 0 H ARG A 18 10.843 5.523 8.328 1.00 0.00 H new ATOM 0 HA ARG A 18 13.158 5.684 10.104 1.00 0.00 H new ATOM 0 HB2 ARG A 18 12.074 3.506 8.287 1.00 0.00 H new ATOM 0 HB3 ARG A 18 13.507 3.337 9.281 1.00 0.00 H new ATOM 0 HG2 ARG A 18 12.087 3.751 11.315 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.673 3.779 10.279 1.00 0.00 H new ATOM 0 HD2 ARG A 18 11.219 1.497 9.502 1.00 0.00 H new ATOM 0 HD3 ARG A 18 12.600 1.474 10.581 1.00 0.00 H new ATOM 0 HE ARG A 18 10.327 2.145 12.135 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.580 -0.572 10.271 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.756 -1.785 11.255 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.271 0.577 13.392 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.454 -1.140 13.015 1.00 0.00 H new ATOM 188 N ARG A 19 13.401 6.541 7.147 1.00 0.00 N ATOM 189 CA ARG A 19 14.285 6.945 6.060 1.00 0.00 C ATOM 190 C ARG A 19 14.746 5.742 5.249 1.00 0.00 C ATOM 191 O ARG A 19 15.890 5.686 4.798 1.00 0.00 O ATOM 192 CB ARG A 19 15.499 7.683 6.604 1.00 0.00 C ATOM 193 CG ARG A 19 15.187 8.983 7.328 1.00 0.00 C ATOM 194 CD ARG A 19 16.422 9.654 7.808 1.00 0.00 C ATOM 195 NE ARG A 19 16.124 10.798 8.654 1.00 0.00 N ATOM 196 CZ ARG A 19 17.052 11.563 9.262 1.00 0.00 C ATOM 197 NH1 ARG A 19 18.329 11.294 9.108 1.00 0.00 N1+ ATOM 198 NH2 ARG A 19 16.678 12.583 10.014 1.00 0.00 N ATOM 0 H ARG A 19 12.491 7.002 7.143 1.00 0.00 H new ATOM 0 HA ARG A 19 13.720 7.611 5.408 1.00 0.00 H new ATOM 0 HB2 ARG A 19 16.031 7.022 7.288 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.176 7.898 5.777 1.00 0.00 H new ATOM 0 HG2 ARG A 19 14.646 9.652 6.658 1.00 0.00 H new ATOM 0 HG3 ARG A 19 14.531 8.780 8.174 1.00 0.00 H new ATOM 0 HD2 ARG A 19 17.030 8.940 8.364 1.00 0.00 H new ATOM 0 HD3 ARG A 19 17.014 9.980 6.953 1.00 0.00 H new ATOM 0 HE ARG A 19 15.143 11.039 8.798 1.00 0.00 H new ATOM 0 HH11 ARG A 19 18.618 10.506 8.528 1.00 0.00 H new ATOM 0 HH12 ARG A 19 19.031 11.873 9.568 1.00 0.00 H new ATOM 0 HH21 ARG A 19 15.687 12.791 10.134 1.00 0.00 H new ATOM 0 HH22 ARG A 19 17.380 13.162 10.474 1.00 0.00 H new ATOM 212 N TRP A 20 13.849 4.779 5.065 1.00 0.00 N ATOM 213 CA TRP A 20 14.161 3.576 4.303 1.00 0.00 C ATOM 214 C TRP A 20 13.613 3.665 2.885 1.00 0.00 C ATOM 215 O TRP A 20 12.717 4.461 2.604 1.00 0.00 O ATOM 216 CB TRP A 20 13.588 2.340 4.999 1.00 0.00 C ATOM 217 CG TRP A 20 14.367 1.919 6.208 1.00 0.00 C ATOM 218 CD1 TRP A 20 15.500 2.501 6.691 1.00 0.00 C ATOM 219 CD2 TRP A 20 14.071 0.816 7.099 1.00 0.00 C ATOM 220 NE1 TRP A 20 15.930 1.839 7.815 1.00 0.00 N ATOM 221 CE2 TRP A 20 15.066 0.807 8.080 1.00 0.00 C ATOM 222 CE3 TRP A 20 13.056 -0.148 7.143 1.00 0.00 C ATOM 223 CZ2 TRP A 20 15.083 -0.133 9.099 1.00 0.00 C ATOM 224 CZ3 TRP A 20 13.073 -1.089 8.165 1.00 0.00 C ATOM 225 CH2 TRP A 20 14.060 -1.081 9.118 1.00 0.00 C ATOM 0 H TRP A 20 12.899 4.809 5.434 1.00 0.00 H new ATOM 0 HA TRP A 20 15.246 3.489 4.250 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.558 2.543 5.293 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.560 1.513 4.289 1.00 0.00 H new ATOM 0 HD1 TRP A 20 15.989 3.359 6.254 1.00 0.00 H new ATOM 0 HE1 TRP A 20 16.757 2.076 8.363 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.275 -0.160 6.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 15.859 -0.131 9.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 12.297 -1.839 8.210 1.00 0.00 H new ATOM 0 HH2 TRP A 20 14.044 -1.825 9.900 1.00 0.00 H new ATOM 236 N PRO A 21 14.155 2.842 1.993 1.00 0.00 N ATOM 237 CA PRO A 21 13.733 2.838 0.598 1.00 0.00 C ATOM 238 C PRO A 21 12.232 2.610 0.478 1.00 0.00 C ATOM 239 O PRO A 21 11.643 1.862 1.259 1.00 0.00 O ATOM 240 CB PRO A 21 14.531 1.675 0.000 1.00 0.00 C ATOM 241 CG PRO A 21 15.760 1.605 0.840 1.00 0.00 C ATOM 242 CD PRO A 21 15.279 1.914 2.233 1.00 0.00 C ATOM 0 HA PRO A 21 13.916 3.784 0.088 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.967 0.743 0.040 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.774 1.855 -1.047 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.221 0.619 0.788 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.509 2.325 0.509 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.956 1.015 2.758 1.00 0.00 H new ATOM 0 HD3 PRO A 21 16.061 2.373 2.838 1.00 0.00 H new ATOM 250 N PRO A 22 11.616 3.259 -0.505 1.00 0.00 N ATOM 251 CA PRO A 22 10.196 3.072 -0.775 1.00 0.00 C ATOM 252 C PRO A 22 9.861 1.599 -0.968 1.00 0.00 C ATOM 253 O PRO A 22 10.699 0.814 -1.411 1.00 0.00 O ATOM 254 CB PRO A 22 9.981 3.873 -2.063 1.00 0.00 C ATOM 255 CG PRO A 22 11.035 4.927 -2.018 1.00 0.00 C ATOM 256 CD PRO A 22 12.233 4.233 -1.426 1.00 0.00 C ATOM 0 HA PRO A 22 9.555 3.402 0.042 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.085 3.243 -2.946 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.983 4.309 -2.099 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.252 5.315 -3.013 1.00 0.00 H new ATOM 0 HG3 PRO A 22 10.724 5.774 -1.407 1.00 0.00 H new ATOM 0 HD2 PRO A 22 12.836 3.743 -2.190 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.887 4.929 -0.901 1.00 0.00 H new ATOM 264 N PRO A 23 8.629 1.228 -0.633 1.00 0.00 N ATOM 265 CA PRO A 23 8.174 -0.148 -0.788 1.00 0.00 C ATOM 266 C PRO A 23 8.396 -0.644 -2.211 1.00 0.00 C ATOM 267 O PRO A 23 8.014 0.017 -3.176 1.00 0.00 O ATOM 268 CB PRO A 23 6.683 -0.058 -0.448 1.00 0.00 C ATOM 269 CG PRO A 23 6.593 1.087 0.502 1.00 0.00 C ATOM 270 CD PRO A 23 7.585 2.089 -0.024 1.00 0.00 C ATOM 0 HA PRO A 23 8.712 -0.855 -0.156 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.081 0.116 -1.340 1.00 0.00 H new ATOM 0 HB3 PRO A 23 6.321 -0.981 0.005 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.586 1.502 0.530 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.839 0.780 1.519 1.00 0.00 H new ATOM 0 HD2 PRO A 23 7.134 2.758 -0.757 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.990 2.714 0.772 1.00 0.00 H new ATOM 278 N SER A 24 9.017 -1.812 -2.335 1.00 0.00 N ATOM 279 CA SER A 24 9.214 -2.442 -3.635 1.00 0.00 C ATOM 280 C SER A 24 8.275 -3.627 -3.821 1.00 0.00 C ATOM 281 O SER A 24 8.307 -4.584 -3.046 1.00 0.00 O ATOM 282 CB SER A 24 10.652 -2.897 -3.783 1.00 0.00 C ATOM 283 OG SER A 24 10.841 -3.582 -4.991 1.00 0.00 O ATOM 0 H SER A 24 9.393 -2.342 -1.549 1.00 0.00 H new ATOM 0 HA SER A 24 8.988 -1.703 -4.404 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.316 -2.034 -3.743 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.920 -3.544 -2.948 1.00 0.00 H new ATOM 0 HG SER A 24 11.777 -3.864 -5.064 1.00 0.00 H new ATOM 289 N TYR A 25 7.439 -3.558 -4.851 1.00 0.00 N ATOM 290 CA TYR A 25 6.419 -4.574 -5.080 1.00 0.00 C ATOM 291 C TYR A 25 6.773 -5.452 -6.273 1.00 0.00 C ATOM 292 O TYR A 25 7.220 -4.959 -7.308 1.00 0.00 O ATOM 293 CB TYR A 25 5.051 -3.920 -5.290 1.00 0.00 C ATOM 294 CG TYR A 25 4.539 -3.173 -4.079 1.00 0.00 C ATOM 295 CD1 TYR A 25 4.750 -1.806 -3.967 1.00 0.00 C ATOM 296 CD2 TYR A 25 3.859 -3.853 -3.080 1.00 0.00 C ATOM 297 CE1 TYR A 25 4.282 -1.123 -2.861 1.00 0.00 C ATOM 298 CE2 TYR A 25 3.391 -3.170 -1.974 1.00 0.00 C ATOM 299 CZ TYR A 25 3.601 -1.811 -1.863 1.00 0.00 C ATOM 300 OH TYR A 25 3.135 -1.130 -0.762 1.00 0.00 O ATOM 0 H TYR A 25 7.448 -2.808 -5.542 1.00 0.00 H new ATOM 0 HA TYR A 25 6.374 -5.209 -4.195 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.114 -3.230 -6.131 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.329 -4.690 -5.563 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.280 -1.276 -4.744 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.695 -4.917 -3.167 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.444 -0.059 -2.772 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.861 -3.700 -1.196 1.00 0.00 H new ATOM 0 HH TYR A 25 3.563 -0.249 -0.717 1.00 0.00 H new ATOM 310 N GLU A 26 6.571 -6.757 -6.121 1.00 0.00 N ATOM 311 CA GLU A 26 6.738 -7.692 -7.227 1.00 0.00 C ATOM 312 C GLU A 26 5.528 -8.607 -7.362 1.00 0.00 C ATOM 313 O GLU A 26 4.873 -8.935 -6.373 1.00 0.00 O ATOM 314 CB GLU A 26 8.004 -8.530 -7.031 1.00 0.00 C ATOM 315 CG GLU A 26 9.298 -7.728 -7.053 1.00 0.00 C ATOM 316 CD GLU A 26 10.523 -8.592 -6.935 1.00 0.00 C ATOM 317 OE1 GLU A 26 10.377 -9.788 -6.853 1.00 0.00 O ATOM 318 OE2 GLU A 26 11.605 -8.055 -6.925 1.00 0.00 O1- ATOM 0 H GLU A 26 6.291 -7.191 -5.241 1.00 0.00 H new ATOM 0 HA GLU A 26 6.832 -7.110 -8.144 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.933 -9.056 -6.079 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.048 -9.289 -7.812 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.350 -7.157 -7.980 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.287 -7.008 -6.235 1.00 0.00 H new ATOM 325 N THR A 27 5.236 -9.015 -8.593 1.00 0.00 N ATOM 326 CA THR A 27 4.066 -9.840 -8.868 1.00 0.00 C ATOM 327 C THR A 27 4.427 -11.319 -8.888 1.00 0.00 C ATOM 328 O THR A 27 5.297 -11.746 -9.647 1.00 0.00 O ATOM 329 CB THR A 27 3.415 -9.449 -10.208 1.00 0.00 C ATOM 330 OG1 THR A 27 3.007 -8.075 -10.161 1.00 0.00 O ATOM 331 CG2 THR A 27 2.203 -10.324 -10.489 1.00 0.00 C ATOM 0 H THR A 27 5.794 -8.787 -9.416 1.00 0.00 H new ATOM 0 HA THR A 27 3.352 -9.664 -8.064 1.00 0.00 H new ATOM 0 HB THR A 27 4.145 -9.592 -11.004 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.595 -7.827 -11.015 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.757 -10.033 -11.440 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.512 -11.368 -10.538 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.471 -10.199 -9.691 1.00 0.00 H new ATOM 339 N GLU A 28 3.754 -12.099 -8.048 1.00 0.00 N ATOM 340 CA GLU A 28 4.002 -13.533 -7.969 1.00 0.00 C ATOM 341 C GLU A 28 3.070 -14.306 -8.894 1.00 0.00 C ATOM 342 O GLU A 28 2.240 -13.717 -9.587 1.00 0.00 O ATOM 343 CB GLU A 28 3.830 -14.025 -6.530 1.00 0.00 C ATOM 344 CG GLU A 28 4.764 -13.367 -5.525 1.00 0.00 C ATOM 345 CD GLU A 28 6.215 -13.632 -5.814 1.00 0.00 C ATOM 346 OE1 GLU A 28 6.588 -14.779 -5.881 1.00 0.00 O ATOM 347 OE2 GLU A 28 6.952 -12.687 -5.967 1.00 0.00 O1- ATOM 0 H GLU A 28 3.032 -11.761 -7.412 1.00 0.00 H new ATOM 0 HA GLU A 28 5.029 -13.711 -8.289 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.800 -13.849 -6.220 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.991 -15.103 -6.506 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.589 -12.291 -5.525 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.526 -13.729 -4.525 1.00 0.00 H new ATOM 354 N THR A 29 3.212 -15.627 -8.901 1.00 0.00 N ATOM 355 CA THR A 29 2.427 -16.477 -9.787 1.00 0.00 C ATOM 356 C THR A 29 0.962 -16.502 -9.371 1.00 0.00 C ATOM 357 O THR A 29 0.644 -16.647 -8.191 1.00 0.00 O ATOM 358 CB THR A 29 2.982 -17.914 -9.812 1.00 0.00 C ATOM 359 OG1 THR A 29 4.342 -17.896 -10.266 1.00 0.00 O ATOM 360 CG2 THR A 29 2.154 -18.790 -10.739 1.00 0.00 C ATOM 0 H THR A 29 3.865 -16.132 -8.302 1.00 0.00 H new ATOM 0 HA THR A 29 2.500 -16.053 -10.789 1.00 0.00 H new ATOM 0 HB THR A 29 2.934 -18.323 -8.803 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.694 -18.810 -10.280 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.561 -19.801 -10.744 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.122 -18.816 -10.389 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.185 -18.382 -11.749 1.00 0.00 H new ATOM 368 N GLU A 30 0.073 -16.360 -10.348 1.00 0.00 N ATOM 369 CA GLU A 30 -1.360 -16.480 -10.104 1.00 0.00 C ATOM 370 C GLU A 30 -1.719 -17.878 -9.615 1.00 0.00 C ATOM 371 O GLU A 30 -1.314 -18.877 -10.210 1.00 0.00 O ATOM 372 CB GLU A 30 -2.147 -16.156 -11.375 1.00 0.00 C ATOM 373 CG GLU A 30 -3.659 -16.169 -11.199 1.00 0.00 C ATOM 374 CD GLU A 30 -4.398 -15.826 -12.462 1.00 0.00 C ATOM 375 OE1 GLU A 30 -3.756 -15.538 -13.444 1.00 0.00 O ATOM 376 OE2 GLU A 30 -5.606 -15.853 -12.446 1.00 0.00 O1- ATOM 0 H GLU A 30 0.320 -16.161 -11.318 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.627 -15.764 -9.326 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.844 -15.173 -11.735 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.877 -16.875 -12.148 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.971 -17.156 -10.858 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.935 -15.460 -10.419 1.00 0.00 H new ATOM 383 N VAL A 31 -2.482 -17.941 -8.529 1.00 0.00 N ATOM 384 CA VAL A 31 -2.752 -19.206 -7.856 1.00 0.00 C ATOM 385 C VAL A 31 -4.201 -19.284 -7.391 1.00 0.00 C ATOM 386 O VAL A 31 -4.474 -19.395 -6.196 1.00 0.00 O ATOM 387 CB VAL A 31 -1.817 -19.377 -6.644 1.00 0.00 C ATOM 388 CG1 VAL A 31 -0.406 -19.712 -7.103 1.00 0.00 C ATOM 389 CG2 VAL A 31 -1.824 -18.110 -5.802 1.00 0.00 C ATOM 0 H VAL A 31 -2.924 -17.130 -8.096 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.572 -20.007 -8.572 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.178 -20.204 -6.032 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.241 -19.829 -6.234 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.420 -20.641 -7.673 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.027 -18.906 -7.731 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.161 -18.238 -4.947 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.480 -17.270 -6.406 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.836 -17.913 -5.450 1.00 0.00 H new ATOM 399 N GLY A 32 -5.126 -19.225 -8.342 1.00 0.00 N ATOM 400 CA GLY A 32 -6.550 -19.282 -8.031 1.00 0.00 C ATOM 401 C GLY A 32 -7.311 -20.086 -9.077 1.00 0.00 C ATOM 402 O GLY A 32 -6.721 -20.866 -9.824 1.00 0.00 O ATOM 0 H GLY A 32 -4.915 -19.138 -9.336 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.692 -19.732 -7.048 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.955 -18.271 -7.980 1.00 0.00 H new ATOM 406 N LEU A 33 -8.624 -19.890 -9.126 1.00 0.00 N ATOM 407 CA LEU A 33 -9.478 -20.647 -10.034 1.00 0.00 C ATOM 408 C LEU A 33 -9.821 -19.832 -11.275 1.00 0.00 C ATOM 409 O LEU A 33 -9.759 -18.602 -11.258 1.00 0.00 O ATOM 410 CB LEU A 33 -10.767 -21.070 -9.320 1.00 0.00 C ATOM 411 CG LEU A 33 -10.580 -21.927 -8.062 1.00 0.00 C ATOM 412 CD1 LEU A 33 -11.936 -22.192 -7.421 1.00 0.00 C ATOM 413 CD2 LEU A 33 -9.887 -23.230 -8.433 1.00 0.00 C ATOM 0 H LEU A 33 -9.121 -19.213 -8.547 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.929 -21.535 -10.347 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.320 -20.172 -9.046 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.387 -21.624 -10.026 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.956 -21.399 -7.341 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.803 -22.801 -6.527 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.401 -21.245 -7.149 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.576 -22.720 -8.128 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.754 -23.839 -7.539 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.497 -23.774 -9.155 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.913 -23.012 -8.871 1.00 0.00 H new ATOM 425 N PRO A 34 -10.182 -20.523 -12.350 1.00 0.00 N ATOM 426 CA PRO A 34 -10.600 -19.863 -13.581 1.00 0.00 C ATOM 427 C PRO A 34 -11.898 -19.093 -13.379 1.00 0.00 C ATOM 428 O PRO A 34 -12.223 -18.191 -14.152 1.00 0.00 O ATOM 429 CB PRO A 34 -10.783 -21.032 -14.554 1.00 0.00 C ATOM 430 CG PRO A 34 -11.073 -22.199 -13.673 1.00 0.00 C ATOM 431 CD PRO A 34 -10.197 -21.986 -12.468 1.00 0.00 C ATOM 0 HA PRO A 34 -9.885 -19.122 -13.938 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -11.600 -20.846 -15.251 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -9.886 -21.197 -15.151 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -12.127 -22.236 -13.397 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -10.841 -23.140 -14.171 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.607 -22.462 -11.577 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -9.197 -22.393 -12.615 1.00 0.00 H new ATOM 439 N HIS A 35 -12.639 -19.453 -12.336 1.00 0.00 N ATOM 440 CA HIS A 35 -13.873 -18.756 -11.996 1.00 0.00 C ATOM 441 C HIS A 35 -13.684 -17.865 -10.776 1.00 0.00 C ATOM 442 O HIS A 35 -14.490 -16.970 -10.518 1.00 0.00 O ATOM 443 CB HIS A 35 -15.005 -19.756 -11.735 1.00 0.00 C ATOM 444 CG HIS A 35 -15.349 -20.599 -12.923 1.00 0.00 C ATOM 445 ND1 HIS A 35 -15.971 -20.087 -14.043 1.00 0.00 N ATOM 446 CD2 HIS A 35 -15.159 -21.917 -13.167 1.00 0.00 C ATOM 447 CE1 HIS A 35 -16.149 -21.056 -14.925 1.00 0.00 C ATOM 448 NE2 HIS A 35 -15.665 -22.175 -14.417 1.00 0.00 N ATOM 0 H HIS A 35 -12.405 -20.225 -11.711 1.00 0.00 H new ATOM 0 HA HIS A 35 -14.140 -18.128 -12.846 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -14.719 -20.407 -10.909 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -15.894 -19.210 -11.418 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -14.696 -22.632 -12.503 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -16.611 -20.950 -15.895 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -15.667 -23.084 -14.879 1.00 0.00 H new ATOM 455 N GLU A 36 -12.615 -18.114 -10.027 1.00 0.00 N ATOM 456 CA GLU A 36 -12.282 -17.292 -8.870 1.00 0.00 C ATOM 457 C GLU A 36 -10.781 -17.052 -8.778 1.00 0.00 C ATOM 458 O GLU A 36 -10.087 -17.692 -7.988 1.00 0.00 O ATOM 459 CB GLU A 36 -12.782 -17.955 -7.584 1.00 0.00 C ATOM 460 CG GLU A 36 -12.688 -17.074 -6.346 1.00 0.00 C ATOM 461 CD GLU A 36 -13.180 -17.760 -5.102 1.00 0.00 C ATOM 462 OE1 GLU A 36 -13.566 -18.901 -5.188 1.00 0.00 O ATOM 463 OE2 GLU A 36 -13.170 -17.143 -4.063 1.00 0.00 O1- ATOM 0 H GLU A 36 -11.964 -18.880 -10.201 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.776 -16.328 -8.993 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -13.821 -18.255 -7.724 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -12.208 -18.865 -7.412 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.652 -16.769 -6.201 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.268 -16.165 -6.508 1.00 0.00 H new ATOM 470 N ARG A 37 -10.284 -16.126 -9.591 1.00 0.00 N ATOM 471 CA ARG A 37 -8.848 -15.907 -9.717 1.00 0.00 C ATOM 472 C ARG A 37 -8.262 -15.345 -8.428 1.00 0.00 C ATOM 473 O ARG A 37 -8.883 -14.518 -7.761 1.00 0.00 O ATOM 474 CB ARG A 37 -8.550 -14.954 -10.864 1.00 0.00 C ATOM 475 CG ARG A 37 -8.876 -15.496 -12.247 1.00 0.00 C ATOM 476 CD ARG A 37 -8.520 -14.527 -13.315 1.00 0.00 C ATOM 477 NE ARG A 37 -8.896 -15.010 -14.634 1.00 0.00 N ATOM 478 CZ ARG A 37 -8.134 -15.814 -15.400 1.00 0.00 C ATOM 479 NH1 ARG A 37 -6.960 -16.216 -14.966 1.00 0.00 N1+ ATOM 480 NH2 ARG A 37 -8.567 -16.200 -16.588 1.00 0.00 N ATOM 0 H ARG A 37 -10.856 -15.514 -10.173 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.386 -16.873 -9.921 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.113 -14.034 -10.708 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.493 -14.690 -10.833 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.337 -16.430 -12.408 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.939 -15.728 -12.306 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.016 -13.576 -13.122 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.447 -14.338 -13.290 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.801 -14.719 -15.005 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.626 -15.919 -14.049 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.383 -16.825 -15.546 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.478 -15.889 -16.925 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.990 -16.809 -17.168 1.00 0.00 H new ATOM 494 N LEU A 38 -7.061 -15.798 -8.084 1.00 0.00 N ATOM 495 CA LEU A 38 -6.360 -15.293 -6.909 1.00 0.00 C ATOM 496 C LEU A 38 -4.935 -14.878 -7.254 1.00 0.00 C ATOM 497 O LEU A 38 -4.211 -15.611 -7.926 1.00 0.00 O ATOM 498 CB LEU A 38 -6.336 -16.360 -5.807 1.00 0.00 C ATOM 499 CG LEU A 38 -7.705 -16.779 -5.257 1.00 0.00 C ATOM 500 CD1 LEU A 38 -7.535 -17.974 -4.328 1.00 0.00 C ATOM 501 CD2 LEU A 38 -8.339 -15.605 -4.526 1.00 0.00 C ATOM 0 H LEU A 38 -6.553 -16.514 -8.602 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.897 -14.415 -6.551 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.834 -17.246 -6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.731 -15.988 -4.980 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.363 -17.070 -6.076 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.508 -18.272 -3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.096 -18.805 -4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.879 -17.702 -3.501 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.312 -15.902 -4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.695 -15.299 -3.702 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.465 -14.771 -5.217 1.00 0.00 H new ATOM 513 N PHE A 39 -4.539 -13.698 -6.789 1.00 0.00 N ATOM 514 CA PHE A 39 -3.237 -13.138 -7.130 1.00 0.00 C ATOM 515 C PHE A 39 -2.403 -12.882 -5.881 1.00 0.00 C ATOM 516 O PHE A 39 -2.941 -12.581 -4.815 1.00 0.00 O ATOM 517 CB PHE A 39 -3.405 -11.834 -7.913 1.00 0.00 C ATOM 518 CG PHE A 39 -4.141 -11.999 -9.213 1.00 0.00 C ATOM 519 CD1 PHE A 39 -5.522 -11.875 -9.265 1.00 0.00 C ATOM 520 CD2 PHE A 39 -3.455 -12.278 -10.385 1.00 0.00 C ATOM 521 CE1 PHE A 39 -6.200 -12.026 -10.460 1.00 0.00 C ATOM 522 CE2 PHE A 39 -4.130 -12.428 -11.581 1.00 0.00 C ATOM 523 CZ PHE A 39 -5.504 -12.302 -11.617 1.00 0.00 C ATOM 0 H PHE A 39 -5.102 -13.110 -6.174 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.715 -13.866 -7.751 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.939 -11.114 -7.292 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.420 -11.412 -8.114 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.073 -11.658 -8.362 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.380 -12.379 -10.363 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.275 -11.928 -10.487 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.583 -12.644 -12.487 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.033 -12.420 -12.551 1.00 0.00 H new ATOM 533 N THR A 40 -1.087 -13.002 -6.020 1.00 0.00 N ATOM 534 CA THR A 40 -0.178 -12.805 -4.898 1.00 0.00 C ATOM 535 C THR A 40 0.854 -11.728 -5.208 1.00 0.00 C ATOM 536 O THR A 40 1.491 -11.750 -6.261 1.00 0.00 O ATOM 537 CB THR A 40 0.539 -14.116 -4.528 1.00 0.00 C ATOM 538 OG1 THR A 40 -0.429 -15.103 -4.150 1.00 0.00 O ATOM 539 CG2 THR A 40 1.504 -13.890 -3.374 1.00 0.00 C ATOM 0 H THR A 40 -0.626 -13.235 -6.900 1.00 0.00 H new ATOM 0 HA THR A 40 -0.780 -12.481 -4.049 1.00 0.00 H new ATOM 0 HB THR A 40 1.101 -14.462 -5.396 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.029 -15.937 -3.916 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.001 -14.828 -3.127 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.249 -13.149 -3.663 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.954 -13.531 -2.504 1.00 0.00 H new ATOM 547 N ILE A 41 1.014 -10.786 -4.285 1.00 0.00 N ATOM 548 CA ILE A 41 1.999 -9.721 -4.439 1.00 0.00 C ATOM 549 C ILE A 41 2.989 -9.715 -3.282 1.00 0.00 C ATOM 550 O ILE A 41 2.601 -9.829 -2.119 1.00 0.00 O ATOM 551 CB ILE A 41 1.311 -8.347 -4.535 1.00 0.00 C ATOM 552 CG1 ILE A 41 0.347 -8.314 -5.723 1.00 0.00 C ATOM 553 CG2 ILE A 41 2.348 -7.241 -4.656 1.00 0.00 C ATOM 554 CD1 ILE A 41 1.029 -8.439 -7.067 1.00 0.00 C ATOM 0 H ILE A 41 0.474 -10.738 -3.421 1.00 0.00 H new ATOM 0 HA ILE A 41 2.543 -9.913 -5.364 1.00 0.00 H new ATOM 0 HB ILE A 41 0.738 -8.182 -3.623 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.375 -9.124 -5.616 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.215 -7.380 -5.697 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.845 -6.276 -4.723 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.996 -7.252 -3.780 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.947 -7.401 -5.552 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.281 -8.407 -7.859 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.730 -7.615 -7.197 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.568 -9.385 -7.115 1.00 0.00 H new ATOM 566 N ALA A 42 4.271 -9.582 -3.607 1.00 0.00 N ATOM 567 CA ALA A 42 5.317 -9.535 -2.594 1.00 0.00 C ATOM 568 C ALA A 42 5.836 -8.115 -2.403 1.00 0.00 C ATOM 569 O ALA A 42 6.191 -7.439 -3.368 1.00 0.00 O ATOM 570 CB ALA A 42 6.459 -10.469 -2.968 1.00 0.00 C ATOM 0 H ALA A 42 4.610 -9.505 -4.566 1.00 0.00 H new ATOM 0 HA ALA A 42 4.885 -9.866 -1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.233 -10.423 -2.202 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.084 -11.490 -3.044 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.879 -10.164 -3.927 1.00 0.00 H new ATOM 576 N CYS A 43 5.876 -7.669 -1.152 1.00 0.00 N ATOM 577 CA CYS A 43 6.381 -6.340 -0.828 1.00 0.00 C ATOM 578 C CYS A 43 7.668 -6.422 -0.018 1.00 0.00 C ATOM 579 O CYS A 43 7.717 -7.076 1.024 1.00 0.00 O ATOM 580 CB CYS A 43 5.339 -5.546 -0.041 1.00 0.00 C ATOM 581 SG CYS A 43 5.854 -3.863 0.378 1.00 0.00 S ATOM 0 H CYS A 43 5.564 -8.209 -0.345 1.00 0.00 H new ATOM 0 HA CYS A 43 6.590 -5.831 -1.769 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.419 -5.498 -0.623 1.00 0.00 H new ATOM 0 HB3 CYS A 43 5.107 -6.083 0.879 1.00 0.00 H new ATOM 0 HG CYS A 43 5.159 -3.011 -0.315 1.00 0.00 H new ATOM 587 N SER A 44 8.710 -5.754 -0.503 1.00 0.00 N ATOM 588 CA SER A 44 10.014 -5.792 0.148 1.00 0.00 C ATOM 589 C SER A 44 10.387 -4.427 0.713 1.00 0.00 C ATOM 590 O SER A 44 10.260 -3.408 0.035 1.00 0.00 O ATOM 591 CB SER A 44 11.074 -6.249 -0.835 1.00 0.00 C ATOM 592 OG SER A 44 12.351 -6.190 -0.260 1.00 0.00 O ATOM 0 H SER A 44 8.676 -5.180 -1.345 1.00 0.00 H new ATOM 0 HA SER A 44 9.957 -6.500 0.975 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.862 -7.269 -1.155 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.043 -5.622 -1.726 1.00 0.00 H new ATOM 0 HG SER A 44 12.290 -6.404 0.694 1.00 0.00 H new ATOM 598 N ILE A 45 10.849 -4.415 1.959 1.00 0.00 N ATOM 599 CA ILE A 45 11.349 -3.194 2.578 1.00 0.00 C ATOM 600 C ILE A 45 12.793 -3.359 3.034 1.00 0.00 C ATOM 601 O ILE A 45 13.057 -3.890 4.112 1.00 0.00 O ATOM 602 CB ILE A 45 10.474 -2.789 3.779 1.00 0.00 C ATOM 603 CG1 ILE A 45 9.033 -2.537 3.329 1.00 0.00 C ATOM 604 CG2 ILE A 45 11.046 -1.555 4.461 1.00 0.00 C ATOM 605 CD1 ILE A 45 8.886 -1.377 2.372 1.00 0.00 C ATOM 0 H ILE A 45 10.887 -5.238 2.560 1.00 0.00 H new ATOM 0 HA ILE A 45 11.307 -2.407 1.825 1.00 0.00 H new ATOM 0 HB ILE A 45 10.471 -3.608 4.498 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.648 -3.439 2.853 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.415 -2.351 4.208 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.416 -1.282 5.307 1.00 0.00 H new ATOM 0 HG22 ILE A 45 12.055 -1.769 4.814 1.00 0.00 H new ATOM 0 HG23 ILE A 45 11.078 -0.729 3.751 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.837 -1.261 2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.239 -0.464 2.850 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.475 -1.568 1.475 1.00 0.00 H new ATOM 617 N LEU A 46 13.725 -2.900 2.205 1.00 0.00 N ATOM 618 CA LEU A 46 15.139 -2.914 2.560 1.00 0.00 C ATOM 619 C LEU A 46 15.623 -4.331 2.838 1.00 0.00 C ATOM 620 O LEU A 46 16.064 -5.037 1.931 1.00 0.00 O ATOM 621 CB LEU A 46 15.386 -2.032 3.791 1.00 0.00 C ATOM 622 CG LEU A 46 16.850 -1.892 4.226 1.00 0.00 C ATOM 623 CD1 LEU A 46 17.643 -1.198 3.128 1.00 0.00 C ATOM 624 CD2 LEU A 46 16.920 -1.110 5.530 1.00 0.00 C ATOM 0 H LEU A 46 13.526 -2.514 1.282 1.00 0.00 H new ATOM 0 HA LEU A 46 15.700 -2.519 1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 46 14.990 -1.037 3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 46 14.815 -2.438 4.626 1.00 0.00 H new ATOM 0 HG LEU A 46 17.285 -2.878 4.393 1.00 0.00 H new ATOM 0 HD11 LEU A 46 18.683 -1.099 3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 46 17.591 -1.789 2.213 1.00 0.00 H new ATOM 0 HD13 LEU A 46 17.223 -0.209 2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.960 -1.011 5.839 1.00 0.00 H new ATOM 0 HD22 LEU A 46 16.489 -0.120 5.384 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.361 -1.639 6.302 1.00 0.00 H new ATOM 636 N ASN A 47 15.539 -4.743 4.099 1.00 0.00 N ATOM 637 CA ASN A 47 16.066 -6.036 4.519 1.00 0.00 C ATOM 638 C ASN A 47 14.941 -7.023 4.803 1.00 0.00 C ATOM 639 O ASN A 47 15.187 -8.160 5.206 1.00 0.00 O ATOM 640 CB ASN A 47 16.958 -5.879 5.737 1.00 0.00 C ATOM 641 CG ASN A 47 18.257 -5.193 5.416 1.00 0.00 C ATOM 642 OD1 ASN A 47 18.775 -5.309 4.300 1.00 0.00 O ATOM 643 ND2 ASN A 47 18.794 -4.482 6.375 1.00 0.00 N ATOM 0 H ASN A 47 15.111 -4.199 4.848 1.00 0.00 H new ATOM 0 HA ASN A 47 16.664 -6.436 3.700 1.00 0.00 H new ATOM 0 HB2 ASN A 47 16.428 -5.308 6.500 1.00 0.00 H new ATOM 0 HB3 ASN A 47 17.165 -6.862 6.161 1.00 0.00 H new ATOM 0 HD21 ASN A 47 19.676 -3.995 6.216 1.00 0.00 H new ATOM 0 HD22 ASN A 47 18.330 -4.415 7.281 1.00 0.00 H new ATOM 650 N TYR A 48 13.706 -6.583 4.589 1.00 0.00 N ATOM 651 CA TYR A 48 12.537 -7.397 4.901 1.00 0.00 C ATOM 652 C TYR A 48 11.688 -7.640 3.660 1.00 0.00 C ATOM 653 O TYR A 48 11.786 -6.908 2.676 1.00 0.00 O ATOM 654 CB TYR A 48 11.699 -6.732 5.996 1.00 0.00 C ATOM 655 CG TYR A 48 12.451 -6.505 7.288 1.00 0.00 C ATOM 656 CD1 TYR A 48 13.159 -5.328 7.481 1.00 0.00 C ATOM 657 CD2 TYR A 48 12.433 -7.474 8.280 1.00 0.00 C ATOM 658 CE1 TYR A 48 13.846 -5.120 8.661 1.00 0.00 C ATOM 659 CE2 TYR A 48 13.120 -7.266 9.461 1.00 0.00 C ATOM 660 CZ TYR A 48 13.825 -6.095 9.652 1.00 0.00 C ATOM 661 OH TYR A 48 14.509 -5.888 10.828 1.00 0.00 O ATOM 0 H TYR A 48 13.488 -5.666 4.200 1.00 0.00 H new ATOM 0 HA TYR A 48 12.888 -8.363 5.264 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.331 -5.774 5.628 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.826 -7.352 6.199 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.173 -4.574 6.708 1.00 0.00 H new ATOM 0 HD2 TYR A 48 11.882 -8.391 8.130 1.00 0.00 H new ATOM 0 HE1 TYR A 48 14.397 -4.204 8.813 1.00 0.00 H new ATOM 0 HE2 TYR A 48 13.105 -8.020 10.234 1.00 0.00 H new ATOM 0 HH TYR A 48 14.392 -6.664 11.415 1.00 0.00 H new ATOM 671 N ARG A 49 10.855 -8.674 3.713 1.00 0.00 N ATOM 672 CA ARG A 49 9.975 -9.006 2.600 1.00 0.00 C ATOM 673 C ARG A 49 8.811 -9.876 3.058 1.00 0.00 C ATOM 674 O ARG A 49 9.001 -10.847 3.791 1.00 0.00 O ATOM 675 CB ARG A 49 10.745 -9.730 1.505 1.00 0.00 C ATOM 676 CG ARG A 49 9.995 -9.889 0.193 1.00 0.00 C ATOM 677 CD ARG A 49 10.877 -10.402 -0.886 1.00 0.00 C ATOM 678 NE ARG A 49 10.131 -10.719 -2.093 1.00 0.00 N ATOM 679 CZ ARG A 49 10.632 -10.653 -3.342 1.00 0.00 C ATOM 680 NH1 ARG A 49 11.878 -10.281 -3.531 1.00 0.00 N1+ ATOM 681 NH2 ARG A 49 9.870 -10.963 -4.377 1.00 0.00 N ATOM 0 H ARG A 49 10.771 -9.297 4.516 1.00 0.00 H new ATOM 0 HA ARG A 49 9.580 -8.070 2.206 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.671 -9.188 1.314 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.023 -10.719 1.870 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.157 -10.572 0.333 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.576 -8.928 -0.105 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.640 -9.658 -1.116 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.397 -11.294 -0.536 1.00 0.00 H new ATOM 0 HE ARG A 49 9.160 -11.012 -1.987 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.466 -10.042 -2.732 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.257 -10.231 -4.476 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.903 -11.252 -4.230 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.249 -10.913 -5.323 1.00 0.00 H new ATOM 695 N GLU A 50 7.607 -9.523 2.621 1.00 0.00 N ATOM 696 CA GLU A 50 6.420 -10.312 2.927 1.00 0.00 C ATOM 697 C GLU A 50 5.386 -10.206 1.812 1.00 0.00 C ATOM 698 O GLU A 50 5.149 -9.125 1.273 1.00 0.00 O ATOM 699 CB GLU A 50 5.803 -9.858 4.252 1.00 0.00 C ATOM 700 CG GLU A 50 4.527 -10.592 4.636 1.00 0.00 C ATOM 701 CD GLU A 50 4.763 -12.038 4.975 1.00 0.00 C ATOM 702 OE1 GLU A 50 5.896 -12.403 5.181 1.00 0.00 O ATOM 703 OE2 GLU A 50 3.810 -12.778 5.029 1.00 0.00 O1- ATOM 0 H GLU A 50 7.428 -8.695 2.053 1.00 0.00 H new ATOM 0 HA GLU A 50 6.727 -11.354 3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.538 -9.993 5.046 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.590 -8.791 4.193 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.070 -10.093 5.491 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.816 -10.529 3.813 1.00 0.00 H new ATOM 710 N MET A 51 4.774 -11.335 1.471 1.00 0.00 N ATOM 711 CA MET A 51 3.793 -11.378 0.393 1.00 0.00 C ATOM 712 C MET A 51 2.388 -11.606 0.936 1.00 0.00 C ATOM 713 O MET A 51 2.215 -12.098 2.052 1.00 0.00 O ATOM 714 CB MET A 51 4.160 -12.469 -0.611 1.00 0.00 C ATOM 715 CG MET A 51 4.119 -13.883 -0.048 1.00 0.00 C ATOM 716 SD MET A 51 4.401 -15.142 -1.308 1.00 0.00 S ATOM 717 CE MET A 51 6.068 -14.739 -1.822 1.00 0.00 C ATOM 0 H MET A 51 4.940 -12.233 1.926 1.00 0.00 H new ATOM 0 HA MET A 51 3.804 -10.413 -0.114 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.478 -12.409 -1.459 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.162 -12.272 -0.993 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.873 -13.981 0.733 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.150 -14.055 0.421 1.00 0.00 H new ATOM 0 HE1 MET A 51 6.497 -15.584 -2.362 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.047 -13.865 -2.473 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.677 -14.523 -0.944 1.00 0.00 H new ATOM 727 N GLY A 52 1.386 -11.246 0.141 1.00 0.00 N ATOM 728 CA GLY A 52 -0.005 -11.490 0.503 1.00 0.00 C ATOM 729 C GLY A 52 -0.842 -11.827 -0.724 1.00 0.00 C ATOM 730 O GLY A 52 -0.498 -11.452 -1.844 1.00 0.00 O ATOM 0 H GLY A 52 1.512 -10.784 -0.759 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.059 -12.310 1.220 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.415 -10.609 0.996 1.00 0.00 H new ATOM 734 N LYS A 53 -1.944 -12.538 -0.505 1.00 0.00 N ATOM 735 CA LYS A 53 -2.786 -13.002 -1.601 1.00 0.00 C ATOM 736 C LYS A 53 -4.200 -12.447 -1.481 1.00 0.00 C ATOM 737 O LYS A 53 -4.757 -12.373 -0.386 1.00 0.00 O ATOM 738 CB LYS A 53 -2.822 -14.530 -1.639 1.00 0.00 C ATOM 739 CG LYS A 53 -3.782 -15.111 -2.669 1.00 0.00 C ATOM 740 CD LYS A 53 -3.560 -16.606 -2.849 1.00 0.00 C ATOM 741 CE LYS A 53 -4.083 -17.392 -1.656 1.00 0.00 C ATOM 742 NZ LYS A 53 -3.911 -18.859 -1.838 1.00 0.00 N1+ ATOM 0 H LYS A 53 -2.274 -12.805 0.422 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.354 -12.636 -2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.818 -14.900 -1.847 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.100 -14.899 -0.652 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.810 -14.929 -2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.646 -14.603 -3.624 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.061 -16.943 -3.757 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.496 -16.804 -2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.559 -17.074 -0.754 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.139 -17.166 -1.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.280 -19.358 -1.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.432 -19.167 -2.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.901 -19.078 -1.954 1.00 0.00 H new ATOM 756 N GLY A 54 -4.776 -12.059 -2.614 1.00 0.00 N ATOM 757 CA GLY A 54 -6.122 -11.500 -2.637 1.00 0.00 C ATOM 758 C GLY A 54 -6.848 -11.865 -3.925 1.00 0.00 C ATOM 759 O GLY A 54 -6.332 -12.622 -4.747 1.00 0.00 O ATOM 0 H GLY A 54 -4.331 -12.122 -3.529 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.687 -11.869 -1.781 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.070 -10.416 -2.541 1.00 0.00 H new ATOM 763 N LYS A 55 -8.049 -11.322 -4.096 1.00 0.00 N ATOM 764 CA LYS A 55 -8.864 -11.618 -5.268 1.00 0.00 C ATOM 765 C LYS A 55 -8.339 -10.894 -6.501 1.00 0.00 C ATOM 766 O LYS A 55 -8.627 -11.285 -7.632 1.00 0.00 O ATOM 767 CB LYS A 55 -10.324 -11.237 -5.015 1.00 0.00 C ATOM 768 CG LYS A 55 -11.026 -12.095 -3.972 1.00 0.00 C ATOM 769 CD LYS A 55 -12.466 -11.648 -3.767 1.00 0.00 C ATOM 770 CE LYS A 55 -13.183 -12.533 -2.759 1.00 0.00 C ATOM 771 NZ LYS A 55 -14.595 -12.111 -2.553 1.00 0.00 N1+ ATOM 0 H LYS A 55 -8.480 -10.674 -3.437 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.806 -12.691 -5.453 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.365 -10.195 -4.698 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.873 -11.306 -5.954 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.008 -13.139 -4.285 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.487 -12.036 -3.027 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.482 -10.614 -3.422 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.996 -11.675 -4.719 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.160 -13.567 -3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.653 -12.502 -1.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.048 -12.740 -1.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.617 -11.133 -2.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -15.109 -12.165 -3.456 1.00 0.00 H new ATOM 785 N SER A 56 -7.568 -9.835 -6.276 1.00 0.00 N ATOM 786 CA SER A 56 -6.932 -9.105 -7.366 1.00 0.00 C ATOM 787 C SER A 56 -5.494 -8.740 -7.019 1.00 0.00 C ATOM 788 O SER A 56 -5.070 -8.871 -5.871 1.00 0.00 O ATOM 789 CB SER A 56 -7.719 -7.849 -7.683 1.00 0.00 C ATOM 790 OG SER A 56 -7.596 -6.906 -6.654 1.00 0.00 O ATOM 0 H SER A 56 -7.369 -9.463 -5.347 1.00 0.00 H new ATOM 0 HA SER A 56 -6.919 -9.754 -8.242 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.363 -7.419 -8.619 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.770 -8.101 -7.827 1.00 0.00 H new ATOM 0 HG SER A 56 -8.111 -6.104 -6.882 1.00 0.00 H new ATOM 796 N LYS A 57 -4.748 -8.282 -8.018 1.00 0.00 N ATOM 797 CA LYS A 57 -3.380 -7.823 -7.805 1.00 0.00 C ATOM 798 C LYS A 57 -3.347 -6.586 -6.918 1.00 0.00 C ATOM 799 O LYS A 57 -2.416 -6.397 -6.135 1.00 0.00 O ATOM 800 CB LYS A 57 -2.699 -7.530 -9.143 1.00 0.00 C ATOM 801 CG LYS A 57 -2.402 -8.766 -9.982 1.00 0.00 C ATOM 802 CD LYS A 57 -1.741 -8.393 -11.300 1.00 0.00 C ATOM 803 CE LYS A 57 -1.494 -9.621 -12.164 1.00 0.00 C ATOM 804 NZ LYS A 57 -0.897 -9.265 -13.480 1.00 0.00 N1+ ATOM 0 H LYS A 57 -5.068 -8.219 -8.984 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.835 -8.620 -7.298 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.334 -6.858 -9.720 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.765 -7.002 -8.953 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.751 -9.439 -9.424 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.328 -9.307 -10.177 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.374 -7.688 -11.839 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.795 -7.888 -11.104 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.830 -10.307 -11.638 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.435 -10.148 -12.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.745 -10.130 -14.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.542 -8.631 -13.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.013 -8.785 -13.330 1.00 0.00 H new ATOM 818 N LYS A 58 -4.368 -5.745 -7.045 1.00 0.00 N ATOM 819 CA LYS A 58 -4.483 -4.550 -6.217 1.00 0.00 C ATOM 820 C LYS A 58 -4.749 -4.912 -4.762 1.00 0.00 C ATOM 821 O LYS A 58 -4.130 -4.360 -3.852 1.00 0.00 O ATOM 822 CB LYS A 58 -5.593 -3.639 -6.744 1.00 0.00 C ATOM 823 CG LYS A 58 -5.278 -2.967 -8.074 1.00 0.00 C ATOM 824 CD LYS A 58 -6.426 -2.080 -8.532 1.00 0.00 C ATOM 825 CE LYS A 58 -6.126 -1.436 -9.877 1.00 0.00 C ATOM 826 NZ LYS A 58 -7.249 -0.579 -10.346 1.00 0.00 N1+ ATOM 0 H LYS A 58 -5.128 -5.869 -7.714 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.534 -4.017 -6.267 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.505 -4.225 -6.854 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.797 -2.868 -6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.371 -2.370 -7.976 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.079 -3.727 -8.830 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.338 -2.672 -8.606 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.608 -1.305 -7.788 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.220 -0.835 -9.798 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.930 -2.213 -10.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.005 -0.159 -11.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.108 -1.157 -10.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.420 0.178 -9.654 1.00 0.00 H new ATOM 840 N ILE A 59 -5.674 -5.841 -4.548 1.00 0.00 N ATOM 841 CA ILE A 59 -5.988 -6.316 -3.205 1.00 0.00 C ATOM 842 C ILE A 59 -4.779 -6.983 -2.561 1.00 0.00 C ATOM 843 O ILE A 59 -4.435 -6.692 -1.415 1.00 0.00 O ATOM 844 CB ILE A 59 -7.167 -7.305 -3.233 1.00 0.00 C ATOM 845 CG1 ILE A 59 -8.460 -6.583 -3.623 1.00 0.00 C ATOM 846 CG2 ILE A 59 -7.321 -7.988 -1.883 1.00 0.00 C ATOM 847 CD1 ILE A 59 -9.606 -7.515 -3.946 1.00 0.00 C ATOM 0 H ILE A 59 -6.220 -6.281 -5.288 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.268 -5.446 -2.610 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.961 -8.070 -3.982 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.758 -5.925 -2.807 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.265 -5.949 -4.488 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.159 -8.684 -1.921 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.408 -8.533 -1.645 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.507 -7.238 -1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -10.486 -6.930 -4.213 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -9.329 -8.156 -4.783 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.830 -8.131 -3.075 1.00 0.00 H new ATOM 859 N ALA A 60 -4.139 -7.879 -3.304 1.00 0.00 N ATOM 860 CA ALA A 60 -2.952 -8.572 -2.815 1.00 0.00 C ATOM 861 C ALA A 60 -1.835 -7.588 -2.490 1.00 0.00 C ATOM 862 O ALA A 60 -1.135 -7.739 -1.489 1.00 0.00 O ATOM 863 CB ALA A 60 -2.477 -9.593 -3.837 1.00 0.00 C ATOM 0 H ALA A 60 -4.422 -8.143 -4.248 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.220 -9.092 -1.896 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.591 -10.102 -3.458 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.266 -10.323 -4.016 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.233 -9.087 -4.771 1.00 0.00 H new ATOM 869 N LYS A 61 -1.674 -6.581 -3.341 1.00 0.00 N ATOM 870 CA LYS A 61 -0.688 -5.533 -3.109 1.00 0.00 C ATOM 871 C LYS A 61 -0.932 -4.831 -1.779 1.00 0.00 C ATOM 872 O LYS A 61 -0.016 -4.674 -0.972 1.00 0.00 O ATOM 873 CB LYS A 61 -0.708 -4.516 -4.252 1.00 0.00 C ATOM 874 CG LYS A 61 0.299 -3.383 -4.104 1.00 0.00 C ATOM 875 CD LYS A 61 0.198 -2.400 -5.260 1.00 0.00 C ATOM 876 CE LYS A 61 1.150 -1.227 -5.076 1.00 0.00 C ATOM 877 NZ LYS A 61 1.003 -0.215 -6.157 1.00 0.00 N1+ ATOM 0 H LYS A 61 -2.214 -6.468 -4.199 1.00 0.00 H new ATOM 0 HA LYS A 61 0.295 -6.003 -3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.515 -5.037 -5.189 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.708 -4.089 -4.325 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.126 -2.860 -3.163 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.308 -3.794 -4.060 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.425 -2.911 -6.195 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.825 -2.032 -5.338 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.963 -0.756 -4.111 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.177 -1.593 -5.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.669 0.567 -5.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.206 -0.657 -7.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.030 0.153 -6.158 1.00 0.00 H new ATOM 891 N ARG A 62 -2.173 -4.412 -1.557 1.00 0.00 N ATOM 892 CA ARG A 62 -2.540 -3.729 -0.322 1.00 0.00 C ATOM 893 C ARG A 62 -2.308 -4.620 0.891 1.00 0.00 C ATOM 894 O ARG A 62 -1.780 -4.174 1.909 1.00 0.00 O ATOM 895 CB ARG A 62 -4.000 -3.301 -0.361 1.00 0.00 C ATOM 896 CG ARG A 62 -4.310 -2.174 -1.333 1.00 0.00 C ATOM 897 CD ARG A 62 -5.771 -1.926 -1.439 1.00 0.00 C ATOM 898 NE ARG A 62 -6.078 -0.903 -2.426 1.00 0.00 N ATOM 899 CZ ARG A 62 -7.323 -0.554 -2.804 1.00 0.00 C ATOM 900 NH1 ARG A 62 -8.364 -1.154 -2.271 1.00 0.00 N1+ ATOM 901 NH2 ARG A 62 -7.497 0.390 -3.712 1.00 0.00 N ATOM 0 H ARG A 62 -2.942 -4.533 -2.216 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.906 -2.847 -0.235 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.610 -4.165 -0.623 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.300 -2.991 0.640 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.809 -1.263 -1.006 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.911 -2.422 -2.317 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.278 -2.853 -1.707 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.159 -1.621 -0.467 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.296 -0.416 -2.863 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.229 -1.884 -1.571 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.307 -0.890 -2.557 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.689 0.854 -4.126 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.440 0.655 -3.999 1.00 0.00 H new ATOM 915 N LEU A 63 -2.705 -5.883 0.775 1.00 0.00 N ATOM 916 CA LEU A 63 -2.549 -6.838 1.866 1.00 0.00 C ATOM 917 C LEU A 63 -1.081 -7.030 2.224 1.00 0.00 C ATOM 918 O LEU A 63 -0.712 -7.022 3.398 1.00 0.00 O ATOM 919 CB LEU A 63 -3.169 -8.187 1.482 1.00 0.00 C ATOM 920 CG LEU A 63 -4.701 -8.219 1.410 1.00 0.00 C ATOM 921 CD1 LEU A 63 -5.154 -9.544 0.811 1.00 0.00 C ATOM 922 CD2 LEU A 63 -5.279 -8.024 2.804 1.00 0.00 C ATOM 0 H LEU A 63 -3.137 -6.269 -0.064 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.066 -6.437 2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.772 -8.485 0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.842 -8.935 2.204 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.061 -7.412 0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.243 -9.567 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.741 -9.650 -0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.803 -10.365 1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.368 -8.047 2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.930 -8.823 3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.954 -7.062 3.201 1.00 0.00 H new ATOM 934 N ALA A 64 -0.246 -7.203 1.204 1.00 0.00 N ATOM 935 CA ALA A 64 1.188 -7.368 1.408 1.00 0.00 C ATOM 936 C ALA A 64 1.788 -6.155 2.106 1.00 0.00 C ATOM 937 O ALA A 64 2.607 -6.292 3.015 1.00 0.00 O ATOM 938 CB ALA A 64 1.887 -7.613 0.079 1.00 0.00 C ATOM 0 H ALA A 64 -0.539 -7.232 0.227 1.00 0.00 H new ATOM 0 HA ALA A 64 1.339 -8.235 2.051 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.957 -7.734 0.248 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.487 -8.517 -0.381 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.718 -6.764 -0.583 1.00 0.00 H new ATOM 944 N ALA A 65 1.377 -4.967 1.676 1.00 0.00 N ATOM 945 CA ALA A 65 1.848 -3.727 2.282 1.00 0.00 C ATOM 946 C ALA A 65 1.486 -3.664 3.760 1.00 0.00 C ATOM 947 O ALA A 65 2.313 -3.305 4.597 1.00 0.00 O ATOM 948 CB ALA A 65 1.275 -2.526 1.545 1.00 0.00 C ATOM 0 H ALA A 65 0.718 -4.837 0.909 1.00 0.00 H new ATOM 0 HA ALA A 65 2.935 -3.705 2.200 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.636 -1.608 2.009 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.592 -2.554 0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.186 -2.554 1.595 1.00 0.00 H new ATOM 954 N HIS A 66 0.243 -4.015 4.075 1.00 0.00 N ATOM 955 CA HIS A 66 -0.231 -4.001 5.454 1.00 0.00 C ATOM 956 C HIS A 66 0.509 -5.028 6.301 1.00 0.00 C ATOM 957 O HIS A 66 0.837 -4.771 7.459 1.00 0.00 O ATOM 958 CB HIS A 66 -1.737 -4.274 5.511 1.00 0.00 C ATOM 959 CG HIS A 66 -2.576 -3.108 5.088 1.00 0.00 C ATOM 960 ND1 HIS A 66 -2.460 -1.860 5.665 1.00 0.00 N ATOM 961 CD2 HIS A 66 -3.544 -3.000 4.148 1.00 0.00 C ATOM 962 CE1 HIS A 66 -3.321 -1.034 5.095 1.00 0.00 C ATOM 963 NE2 HIS A 66 -3.990 -1.701 4.173 1.00 0.00 N ATOM 0 H HIS A 66 -0.455 -4.313 3.393 1.00 0.00 H new ATOM 0 HA HIS A 66 -0.033 -3.009 5.859 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -1.967 -5.127 4.872 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.008 -4.555 6.529 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -3.899 -3.788 3.500 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.454 0.009 5.342 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -4.720 -1.314 3.575 1.00 0.00 H new ATOM 970 N ARG A 67 0.770 -6.192 5.716 1.00 0.00 N ATOM 971 CA ARG A 67 1.509 -7.246 6.402 1.00 0.00 C ATOM 972 C ARG A 67 2.934 -6.807 6.712 1.00 0.00 C ATOM 973 O ARG A 67 3.466 -7.102 7.782 1.00 0.00 O ATOM 974 CB ARG A 67 1.543 -8.512 5.559 1.00 0.00 C ATOM 975 CG ARG A 67 0.229 -9.275 5.499 1.00 0.00 C ATOM 976 CD ARG A 67 0.332 -10.478 4.633 1.00 0.00 C ATOM 977 NE ARG A 67 1.159 -11.511 5.237 1.00 0.00 N ATOM 978 CZ ARG A 67 0.744 -12.358 6.198 1.00 0.00 C ATOM 979 NH1 ARG A 67 -0.487 -12.284 6.654 1.00 0.00 N1+ ATOM 980 NH2 ARG A 67 1.574 -13.265 6.683 1.00 0.00 N ATOM 0 H ARG A 67 0.480 -6.430 4.767 1.00 0.00 H new ATOM 0 HA ARG A 67 0.993 -7.450 7.340 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.840 -8.248 4.544 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.313 -9.174 5.954 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.064 -9.575 6.505 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.555 -8.620 5.120 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.665 -10.876 4.444 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.751 -10.196 3.667 1.00 0.00 H new ATOM 0 HE ARG A 67 2.121 -11.600 4.910 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.128 -11.585 6.280 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.801 -12.926 7.382 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.529 -13.323 6.329 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.260 -13.907 7.411 1.00 0.00 H new ATOM 994 N MET A 68 3.549 -6.101 5.768 1.00 0.00 N ATOM 995 CA MET A 68 4.880 -5.542 5.974 1.00 0.00 C ATOM 996 C MET A 68 4.870 -4.488 7.073 1.00 0.00 C ATOM 997 O MET A 68 5.759 -4.456 7.924 1.00 0.00 O ATOM 998 CB MET A 68 5.410 -4.949 4.671 1.00 0.00 C ATOM 999 CG MET A 68 5.924 -5.978 3.673 1.00 0.00 C ATOM 1000 SD MET A 68 7.283 -6.966 4.331 1.00 0.00 S ATOM 1001 CE MET A 68 8.595 -5.749 4.374 1.00 0.00 C ATOM 0 H MET A 68 3.146 -5.903 4.852 1.00 0.00 H new ATOM 0 HA MET A 68 5.542 -6.348 6.290 1.00 0.00 H new ATOM 0 HB2 MET A 68 4.615 -4.370 4.200 1.00 0.00 H new ATOM 0 HB3 MET A 68 6.216 -4.253 4.904 1.00 0.00 H new ATOM 0 HG2 MET A 68 5.106 -6.638 3.384 1.00 0.00 H new ATOM 0 HG3 MET A 68 6.256 -5.467 2.769 1.00 0.00 H new ATOM 0 HE1 MET A 68 9.420 -6.125 4.980 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.947 -5.557 3.360 1.00 0.00 H new ATOM 0 HE3 MET A 68 8.218 -4.823 4.808 1.00 0.00 H new ATOM 1011 N TRP A 69 3.859 -3.626 7.050 1.00 0.00 N ATOM 1012 CA TRP A 69 3.713 -2.589 8.065 1.00 0.00 C ATOM 1013 C TRP A 69 3.580 -3.196 9.456 1.00 0.00 C ATOM 1014 O TRP A 69 4.179 -2.709 10.416 1.00 0.00 O ATOM 1015 CB TRP A 69 2.491 -1.718 7.766 1.00 0.00 C ATOM 1016 CG TRP A 69 2.252 -0.651 8.791 1.00 0.00 C ATOM 1017 CD1 TRP A 69 2.887 0.551 8.879 1.00 0.00 C ATOM 1018 CD2 TRP A 69 1.302 -0.685 9.884 1.00 0.00 C ATOM 1019 NE1 TRP A 69 2.402 1.265 9.948 1.00 0.00 N ATOM 1020 CE2 TRP A 69 1.431 0.524 10.573 1.00 0.00 C ATOM 1021 CE3 TRP A 69 0.368 -1.630 10.326 1.00 0.00 C ATOM 1022 CZ2 TRP A 69 0.660 0.819 11.687 1.00 0.00 C ATOM 1023 CZ3 TRP A 69 -0.406 -1.333 11.442 1.00 0.00 C ATOM 1024 CH2 TRP A 69 -0.263 -0.140 12.104 1.00 0.00 C ATOM 0 H TRP A 69 3.128 -3.625 6.339 1.00 0.00 H new ATOM 0 HA TRP A 69 4.611 -1.972 8.040 1.00 0.00 H new ATOM 0 HB2 TRP A 69 2.618 -1.251 6.789 1.00 0.00 H new ATOM 0 HB3 TRP A 69 1.608 -2.354 7.703 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.659 0.893 8.206 1.00 0.00 H new ATOM 0 HE1 TRP A 69 2.713 2.194 10.231 1.00 0.00 H new ATOM 0 HE3 TRP A 69 0.251 -2.571 9.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 0.770 1.756 12.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -1.131 -2.052 11.793 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -0.879 0.061 12.968 1.00 0.00 H new ATOM 1035 N MET A 70 2.793 -4.261 9.559 1.00 0.00 N ATOM 1036 CA MET A 70 2.641 -4.982 10.817 1.00 0.00 C ATOM 1037 C MET A 70 3.955 -5.620 11.249 1.00 0.00 C ATOM 1038 O MET A 70 4.350 -5.525 12.411 1.00 0.00 O ATOM 1039 CB MET A 70 1.549 -6.043 10.688 1.00 0.00 C ATOM 1040 CG MET A 70 0.138 -5.484 10.572 1.00 0.00 C ATOM 1041 SD MET A 70 -1.092 -6.764 10.251 1.00 0.00 S ATOM 1042 CE MET A 70 -1.093 -7.633 11.816 1.00 0.00 C ATOM 0 H MET A 70 2.250 -4.644 8.785 1.00 0.00 H new ATOM 0 HA MET A 70 2.349 -4.266 11.585 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.757 -6.656 9.811 1.00 0.00 H new ATOM 0 HB3 MET A 70 1.595 -6.702 11.555 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.119 -4.962 11.494 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.108 -4.747 9.769 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.945 -8.312 11.855 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.169 -8.203 11.916 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.165 -6.914 12.632 1.00 0.00 H new ATOM 1052 N ARG A 71 4.627 -6.272 10.307 1.00 0.00 N ATOM 1053 CA ARG A 71 5.927 -6.878 10.573 1.00 0.00 C ATOM 1054 C ARG A 71 6.899 -5.862 11.158 1.00 0.00 C ATOM 1055 O ARG A 71 7.568 -6.131 12.156 1.00 0.00 O ATOM 1056 CB ARG A 71 6.516 -7.464 9.298 1.00 0.00 C ATOM 1057 CG ARG A 71 7.918 -8.033 9.445 1.00 0.00 C ATOM 1058 CD ARG A 71 8.463 -8.493 8.142 1.00 0.00 C ATOM 1059 NE ARG A 71 7.771 -9.674 7.651 1.00 0.00 N ATOM 1060 CZ ARG A 71 8.017 -10.932 8.066 1.00 0.00 C ATOM 1061 NH1 ARG A 71 8.938 -11.156 8.977 1.00 0.00 N1+ ATOM 1062 NH2 ARG A 71 7.332 -11.941 7.557 1.00 0.00 N ATOM 0 H ARG A 71 4.293 -6.395 9.351 1.00 0.00 H new ATOM 0 HA ARG A 71 5.774 -7.675 11.300 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.855 -8.253 8.938 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.533 -6.688 8.532 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.576 -7.274 9.867 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.901 -8.867 10.147 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.377 -7.691 7.409 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.525 -8.713 8.250 1.00 0.00 H new ATOM 0 HE ARG A 71 7.049 -9.541 6.943 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.467 -10.377 9.370 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.124 -12.109 9.291 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.617 -11.767 6.850 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.518 -12.894 7.871 1.00 0.00 H new ATOM 1076 N LEU A 72 6.973 -4.693 10.531 1.00 0.00 N ATOM 1077 CA LEU A 72 7.932 -3.669 10.929 1.00 0.00 C ATOM 1078 C LEU A 72 7.507 -2.988 12.223 1.00 0.00 C ATOM 1079 O LEU A 72 8.341 -2.661 13.068 1.00 0.00 O ATOM 1080 CB LEU A 72 8.082 -2.622 9.818 1.00 0.00 C ATOM 1081 CG LEU A 72 8.678 -3.132 8.500 1.00 0.00 C ATOM 1082 CD1 LEU A 72 8.658 -2.013 7.467 1.00 0.00 C ATOM 1083 CD2 LEU A 72 10.097 -3.627 8.742 1.00 0.00 C ATOM 0 H LEU A 72 6.379 -4.431 9.744 1.00 0.00 H new ATOM 0 HA LEU A 72 8.891 -4.158 11.098 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.100 -2.196 9.611 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.709 -1.812 10.190 1.00 0.00 H new ATOM 0 HG LEU A 72 8.084 -3.963 8.119 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.082 -2.375 6.530 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.630 -1.690 7.300 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.248 -1.172 7.831 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.521 -3.989 7.805 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.708 -2.809 9.124 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.080 -4.438 9.470 1.00 0.00 H new ATOM 1095 N GLN A 73 6.203 -2.777 12.374 1.00 0.00 N ATOM 1096 CA GLN A 73 5.660 -2.177 13.586 1.00 0.00 C ATOM 1097 C GLN A 73 5.985 -3.021 14.812 1.00 0.00 C ATOM 1098 O GLN A 73 6.427 -2.501 15.837 1.00 0.00 O ATOM 1099 CB GLN A 73 4.144 -1.998 13.463 1.00 0.00 C ATOM 1100 CG GLN A 73 3.496 -1.332 14.664 1.00 0.00 C ATOM 1101 CD GLN A 73 3.961 0.100 14.852 1.00 0.00 C ATOM 1102 OE1 GLN A 73 3.976 0.892 13.906 1.00 0.00 O ATOM 1103 NE2 GLN A 73 4.344 0.440 16.078 1.00 0.00 N ATOM 0 H GLN A 73 5.503 -3.013 11.671 1.00 0.00 H new ATOM 0 HA GLN A 73 6.125 -1.199 13.710 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.931 -1.405 12.574 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.685 -2.975 13.312 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.413 -1.347 14.544 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.725 -1.906 15.562 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.315 -0.248 16.831 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.667 1.389 16.267 1.00 0.00 H new ATOM 1112 N GLU A 74 5.765 -4.327 14.701 1.00 0.00 N ATOM 1113 CA GLU A 74 6.063 -5.250 15.789 1.00 0.00 C ATOM 1114 C GLU A 74 7.560 -5.312 16.064 1.00 0.00 C ATOM 1115 O GLU A 74 7.914 -5.059 16.965 1.00 0.00 O ATOM 1116 CB GLU A 74 5.537 -6.649 15.462 1.00 0.00 C ATOM 1117 CG GLU A 74 5.710 -7.664 16.582 1.00 0.00 C ATOM 1118 CD GLU A 74 5.130 -9.010 16.248 1.00 0.00 C ATOM 1119 OE1 GLU A 74 4.584 -9.151 15.180 1.00 0.00 O ATOM 1120 OE2 GLU A 74 5.233 -9.898 17.061 1.00 0.00 O1- ATOM 1121 OXT GLU A 74 8.315 -5.664 15.200 1.00 0.00 O1- ATOM 0 H GLU A 74 5.381 -4.770 13.867 1.00 0.00 H new ATOM 0 HA GLU A 74 5.564 -4.880 16.685 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.478 -6.577 15.214 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.048 -7.017 14.572 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.772 -7.776 16.803 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.235 -7.284 17.486 1.00 0.00 H new TER 1128 GLU A 74