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 Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 14 MET CE :methyl 171:sc= -0.609 (180deg=-1.06) USER MOD Single : A 15 CYS SG : rot 76:sc= 0.195 USER MOD Single : A 16 MET CE :methyl -164:sc= -0.397 (180deg=-1.06) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 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= -0.325 USER MOD Single : A 43 CYS SG : rot 170:sc= -0.148 USER MOD Single : A 44 SER OG : rot 33:sc= 0.193 USER MOD Single : A 47 ASN : amide:sc=-0.00744 K(o=-0.0074,f=-0.94) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 163:sc= -0.0342 (180deg=-0.364) 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= 0.186 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 X(o=0,f=-0.27) USER MOD Single : A 68 MET CE :methyl 168:sc= -0.912 (180deg=-1.23) USER MOD Single : A 70 MET CE :methyl 168:sc=-0.00952 (180deg=-0.221) USER MOD Single : A 73 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 8 1.512 0.502 -3.237 1.00 0.00 N ATOM 2 CA ILE A 8 2.950 0.695 -3.092 1.00 0.00 C ATOM 3 C ILE A 8 3.276 2.131 -2.703 1.00 0.00 C ATOM 4 O ILE A 8 4.270 2.390 -2.024 1.00 0.00 O ATOM 5 CB ILE A 8 3.687 0.335 -4.395 1.00 0.00 C ATOM 6 CG1 ILE A 8 3.383 -1.110 -4.799 1.00 0.00 C ATOM 7 CG2 ILE A 8 5.185 0.542 -4.234 1.00 0.00 C ATOM 8 CD1 ILE A 8 3.720 -2.126 -3.731 1.00 0.00 C ATOM 0 HA ILE A 8 3.288 0.031 -2.297 1.00 0.00 H new ATOM 0 HB ILE A 8 3.333 0.995 -5.187 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.325 -1.193 -5.046 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.941 -1.349 -5.704 1.00 0.00 H new ATOM 0 HG21 ILE A 8 5.690 0.283 -5.164 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.384 1.586 -3.992 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.556 -0.094 -3.430 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.477 -3.126 -4.090 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.784 -2.072 -3.500 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.142 -1.914 -2.831 1.00 0.00 H new ATOM 20 N GLY A 9 2.434 3.063 -3.138 1.00 0.00 N ATOM 21 CA GLY A 9 2.619 4.473 -2.816 1.00 0.00 C ATOM 22 C GLY A 9 2.701 4.688 -1.311 1.00 0.00 C ATOM 23 O GLY A 9 3.496 5.496 -0.832 1.00 0.00 O ATOM 0 H GLY A 9 1.616 2.867 -3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.530 4.840 -3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 9 1.792 5.054 -3.224 1.00 0.00 H new ATOM 27 N TRP A 10 1.874 3.960 -0.568 1.00 0.00 N ATOM 28 CA TRP A 10 1.882 4.038 0.888 1.00 0.00 C ATOM 29 C TRP A 10 3.228 3.607 1.455 1.00 0.00 C ATOM 30 O TRP A 10 3.745 4.222 2.387 1.00 0.00 O ATOM 31 CB TRP A 10 0.773 3.162 1.475 1.00 0.00 C ATOM 32 CG TRP A 10 0.726 3.180 2.973 1.00 0.00 C ATOM 33 CD1 TRP A 10 0.129 4.121 3.758 1.00 0.00 C ATOM 34 CD2 TRP A 10 1.301 2.207 3.878 1.00 0.00 C ATOM 35 NE1 TRP A 10 0.293 3.803 5.084 1.00 0.00 N ATOM 36 CE2 TRP A 10 1.006 2.635 5.176 1.00 0.00 C ATOM 37 CE3 TRP A 10 2.030 1.026 3.694 1.00 0.00 C ATOM 38 CZ2 TRP A 10 1.417 1.924 6.293 1.00 0.00 C ATOM 39 CZ3 TRP A 10 2.440 0.313 4.814 1.00 0.00 C ATOM 40 CH2 TRP A 10 2.141 0.751 6.080 1.00 0.00 C ATOM 0 H TRP A 10 1.189 3.309 -0.951 1.00 0.00 H new ATOM 0 HA TRP A 10 1.706 5.077 1.165 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -0.188 3.497 1.085 1.00 0.00 H new ATOM 0 HB3 TRP A 10 0.914 2.136 1.136 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -0.396 4.990 3.391 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -0.058 4.347 5.872 1.00 0.00 H new ATOM 0 HE3 TRP A 10 2.269 0.676 2.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 1.185 2.266 7.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 3.003 -0.600 4.686 1.00 0.00 H new ATOM 0 HH2 TRP A 10 2.474 0.174 6.930 1.00 0.00 H new ATOM 51 N LEU A 11 3.791 2.545 0.888 1.00 0.00 N ATOM 52 CA LEU A 11 5.095 2.050 1.314 1.00 0.00 C ATOM 53 C LEU A 11 6.189 3.073 1.040 1.00 0.00 C ATOM 54 O LEU A 11 7.074 3.287 1.869 1.00 0.00 O ATOM 55 CB LEU A 11 5.423 0.736 0.595 1.00 0.00 C ATOM 56 CG LEU A 11 4.563 -0.472 0.991 1.00 0.00 C ATOM 57 CD1 LEU A 11 4.847 -1.630 0.043 1.00 0.00 C ATOM 58 CD2 LEU A 11 4.862 -0.858 2.431 1.00 0.00 C ATOM 0 H LEU A 11 3.364 2.010 0.132 1.00 0.00 H new ATOM 0 HA LEU A 11 5.051 1.874 2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.321 0.895 -0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.469 0.492 0.783 1.00 0.00 H new ATOM 0 HG LEU A 11 3.506 -0.218 0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.236 -2.488 0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.607 -1.332 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.901 -1.900 0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.251 -1.716 2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.917 -1.116 2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.633 -0.019 3.088 1.00 0.00 H new ATOM 70 N GLN A 12 6.124 3.704 -0.128 1.00 0.00 N ATOM 71 CA GLN A 12 7.101 4.717 -0.507 1.00 0.00 C ATOM 72 C GLN A 12 7.053 5.910 0.439 1.00 0.00 C ATOM 73 O GLN A 12 8.089 6.395 0.895 1.00 0.00 O ATOM 74 CB GLN A 12 6.860 5.182 -1.946 1.00 0.00 C ATOM 75 CG GLN A 12 7.879 6.188 -2.454 1.00 0.00 C ATOM 76 CD GLN A 12 7.610 6.612 -3.885 1.00 0.00 C ATOM 77 OE1 GLN A 12 6.608 6.215 -4.487 1.00 0.00 O ATOM 78 NE2 GLN A 12 8.504 7.422 -4.440 1.00 0.00 N ATOM 0 H GLN A 12 5.404 3.531 -0.829 1.00 0.00 H new ATOM 0 HA GLN A 12 8.091 4.266 -0.439 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.866 4.312 -2.603 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.866 5.624 -2.012 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.870 7.067 -1.810 1.00 0.00 H new ATOM 0 HG3 GLN A 12 8.877 5.755 -2.388 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.318 7.726 -3.906 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.377 7.741 -5.401 1.00 0.00 H new ATOM 87 N GLU A 13 5.845 6.379 0.731 1.00 0.00 N ATOM 88 CA GLU A 13 5.657 7.490 1.657 1.00 0.00 C ATOM 89 C GLU A 13 6.159 7.136 3.051 1.00 0.00 C ATOM 90 O GLU A 13 6.861 7.923 3.686 1.00 0.00 O ATOM 91 CB GLU A 13 4.181 7.887 1.721 1.00 0.00 C ATOM 92 CG GLU A 13 3.658 8.570 0.465 1.00 0.00 C ATOM 93 CD GLU A 13 2.172 8.791 0.495 1.00 0.00 C ATOM 94 OE1 GLU A 13 1.544 8.356 1.430 1.00 0.00 O ATOM 95 OE2 GLU A 13 1.663 9.397 -0.419 1.00 0.00 O1- ATOM 0 H GLU A 13 4.980 6.007 0.339 1.00 0.00 H new ATOM 0 HA GLU A 13 6.239 8.334 1.287 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.585 6.994 1.909 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.033 8.554 2.571 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.161 9.530 0.343 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.913 7.964 -0.405 1.00 0.00 H new ATOM 102 N MET A 14 5.794 5.949 3.522 1.00 0.00 N ATOM 103 CA MET A 14 6.285 5.448 4.800 1.00 0.00 C ATOM 104 C MET A 14 7.807 5.473 4.855 1.00 0.00 C ATOM 105 O MET A 14 8.395 5.944 5.828 1.00 0.00 O ATOM 106 CB MET A 14 5.765 4.033 5.047 1.00 0.00 C ATOM 107 CG MET A 14 6.286 3.384 6.322 1.00 0.00 C ATOM 108 SD MET A 14 5.750 1.671 6.500 1.00 0.00 S ATOM 109 CE MET A 14 6.614 0.902 5.133 1.00 0.00 C ATOM 0 H MET A 14 5.159 5.315 3.037 1.00 0.00 H new ATOM 0 HA MET A 14 5.912 6.104 5.586 1.00 0.00 H new ATOM 0 HB2 MET A 14 4.676 4.061 5.087 1.00 0.00 H new ATOM 0 HB3 MET A 14 6.037 3.406 4.198 1.00 0.00 H new ATOM 0 HG2 MET A 14 7.375 3.422 6.325 1.00 0.00 H new ATOM 0 HG3 MET A 14 5.945 3.959 7.183 1.00 0.00 H new ATOM 0 HE1 MET A 14 6.514 -0.181 5.202 1.00 0.00 H new ATOM 0 HE2 MET A 14 6.186 1.247 4.192 1.00 0.00 H new ATOM 0 HE3 MET A 14 7.669 1.172 5.172 1.00 0.00 H new ATOM 119 N CYS A 15 8.440 4.963 3.803 1.00 0.00 N ATOM 120 CA CYS A 15 9.895 4.911 3.737 1.00 0.00 C ATOM 121 C CYS A 15 10.501 6.306 3.822 1.00 0.00 C ATOM 122 O CYS A 15 11.439 6.540 4.583 1.00 0.00 O ATOM 123 CB CYS A 15 10.350 4.241 2.440 1.00 0.00 C ATOM 124 SG CYS A 15 10.068 2.455 2.392 1.00 0.00 S ATOM 0 H CYS A 15 7.967 4.580 2.985 1.00 0.00 H new ATOM 0 HA CYS A 15 10.241 4.326 4.589 1.00 0.00 H new ATOM 0 HB2 CYS A 15 9.827 4.703 1.602 1.00 0.00 H new ATOM 0 HB3 CYS A 15 11.413 4.434 2.298 1.00 0.00 H new ATOM 0 HG CYS A 15 8.808 2.220 2.174 1.00 0.00 H new ATOM 130 N MET A 16 9.959 7.229 3.036 1.00 0.00 N ATOM 131 CA MET A 16 10.452 8.601 3.013 1.00 0.00 C ATOM 132 C MET A 16 10.338 9.250 4.387 1.00 0.00 C ATOM 133 O MET A 16 11.242 9.962 4.824 1.00 0.00 O ATOM 134 CB MET A 16 9.689 9.419 1.972 1.00 0.00 C ATOM 135 CG MET A 16 10.023 9.069 0.529 1.00 0.00 C ATOM 136 SD MET A 16 9.333 10.248 -0.649 1.00 0.00 S ATOM 137 CE MET A 16 7.586 9.875 -0.518 1.00 0.00 C ATOM 0 H MET A 16 9.177 7.052 2.405 1.00 0.00 H new ATOM 0 HA MET A 16 11.507 8.578 2.740 1.00 0.00 H new ATOM 0 HB2 MET A 16 8.620 9.278 2.129 1.00 0.00 H new ATOM 0 HB3 MET A 16 9.898 10.476 2.134 1.00 0.00 H new ATOM 0 HG2 MET A 16 11.106 9.033 0.409 1.00 0.00 H new ATOM 0 HG3 MET A 16 9.644 8.072 0.304 1.00 0.00 H new ATOM 0 HE1 MET A 16 7.057 10.304 -1.369 1.00 0.00 H new ATOM 0 HE2 MET A 16 7.444 8.794 -0.511 1.00 0.00 H new ATOM 0 HE3 MET A 16 7.192 10.299 0.405 1.00 0.00 H new ATOM 147 N GLN A 17 9.222 9.000 5.063 1.00 0.00 N ATOM 148 CA GLN A 17 8.982 9.572 6.382 1.00 0.00 C ATOM 149 C GLN A 17 9.920 8.972 7.422 1.00 0.00 C ATOM 150 O GLN A 17 10.385 9.666 8.327 1.00 0.00 O ATOM 151 CB GLN A 17 7.526 9.354 6.804 1.00 0.00 C ATOM 152 CG GLN A 17 6.522 10.189 6.029 1.00 0.00 C ATOM 153 CD GLN A 17 5.088 9.866 6.404 1.00 0.00 C ATOM 154 OE1 GLN A 17 4.829 8.955 7.197 1.00 0.00 O ATOM 155 NE2 GLN A 17 4.146 10.610 5.837 1.00 0.00 N ATOM 0 H GLN A 17 8.469 8.404 4.719 1.00 0.00 H new ATOM 0 HA GLN A 17 9.178 10.642 6.321 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.278 8.300 6.680 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.429 9.582 7.865 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.713 11.246 6.214 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.662 10.021 4.961 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.405 11.353 5.187 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.163 10.439 6.051 1.00 0.00 H new ATOM 164 N ARG A 18 10.195 7.679 7.287 1.00 0.00 N ATOM 165 CA ARG A 18 11.022 6.967 8.254 1.00 0.00 C ATOM 166 C ARG A 18 12.489 6.988 7.846 1.00 0.00 C ATOM 167 O ARG A 18 13.343 6.426 8.532 1.00 0.00 O ATOM 168 CB ARG A 18 10.559 5.525 8.396 1.00 0.00 C ATOM 169 CG ARG A 18 9.188 5.353 9.030 1.00 0.00 C ATOM 170 CD ARG A 18 8.819 3.920 9.161 1.00 0.00 C ATOM 171 NE ARG A 18 7.483 3.751 9.710 1.00 0.00 N ATOM 172 CZ ARG A 18 7.192 3.745 11.025 1.00 0.00 C ATOM 173 NH1 ARG A 18 8.151 3.898 11.912 1.00 0.00 N1+ ATOM 174 NH2 ARG A 18 5.943 3.584 11.425 1.00 0.00 N ATOM 0 H ARG A 18 9.857 7.102 6.517 1.00 0.00 H new ATOM 0 HA ARG A 18 10.917 7.477 9.212 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.547 5.063 7.409 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.290 4.981 8.993 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.181 5.822 10.014 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.441 5.867 8.426 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.873 3.441 8.184 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.542 3.417 9.803 1.00 0.00 H new ATOM 0 HE ARG A 18 6.712 3.628 9.053 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.116 4.021 11.604 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.930 3.893 12.908 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.199 3.464 10.738 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.723 3.579 12.421 1.00 0.00 H new ATOM 188 N ARG A 19 12.777 7.641 6.725 1.00 0.00 N ATOM 189 CA ARG A 19 14.143 7.746 6.228 1.00 0.00 C ATOM 190 C ARG A 19 14.732 6.370 5.941 1.00 0.00 C ATOM 191 O ARG A 19 15.917 6.131 6.175 1.00 0.00 O ATOM 192 CB ARG A 19 15.024 8.472 7.233 1.00 0.00 C ATOM 193 CG ARG A 19 14.614 9.906 7.525 1.00 0.00 C ATOM 194 CD ARG A 19 15.513 10.544 8.520 1.00 0.00 C ATOM 195 NE ARG A 19 15.026 11.850 8.934 1.00 0.00 N ATOM 196 CZ ARG A 19 15.622 12.633 9.854 1.00 0.00 C ATOM 197 NH1 ARG A 19 16.725 12.229 10.445 1.00 0.00 N1+ ATOM 198 NH2 ARG A 19 15.099 13.807 10.161 1.00 0.00 N ATOM 0 H ARG A 19 12.081 8.106 6.143 1.00 0.00 H new ATOM 0 HA ARG A 19 14.111 8.315 5.299 1.00 0.00 H new ATOM 0 HB2 ARG A 19 15.022 7.911 8.168 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.049 8.471 6.863 1.00 0.00 H new ATOM 0 HG2 ARG A 19 14.627 10.483 6.601 1.00 0.00 H new ATOM 0 HG3 ARG A 19 13.590 9.923 7.897 1.00 0.00 H new ATOM 0 HD2 ARG A 19 15.605 9.898 9.393 1.00 0.00 H new ATOM 0 HD3 ARG A 19 16.511 10.647 8.094 1.00 0.00 H new ATOM 0 HE ARG A 19 14.173 12.198 8.497 1.00 0.00 H new ATOM 0 HH11 ARG A 19 17.129 11.323 10.207 1.00 0.00 H new ATOM 0 HH12 ARG A 19 17.177 12.821 11.142 1.00 0.00 H new ATOM 0 HH21 ARG A 19 14.244 14.120 9.701 1.00 0.00 H new ATOM 0 HH22 ARG A 19 15.550 14.400 10.858 1.00 0.00 H new ATOM 212 N TRP A 20 13.898 5.469 5.434 1.00 0.00 N ATOM 213 CA TRP A 20 14.337 4.118 5.106 1.00 0.00 C ATOM 214 C TRP A 20 14.636 3.982 3.618 1.00 0.00 C ATOM 215 O TRP A 20 14.192 4.797 2.809 1.00 0.00 O ATOM 216 CB TRP A 20 13.272 3.098 5.511 1.00 0.00 C ATOM 217 CG TRP A 20 13.172 2.892 6.992 1.00 0.00 C ATOM 218 CD1 TRP A 20 14.007 3.397 7.943 1.00 0.00 C ATOM 219 CD2 TRP A 20 12.174 2.121 7.703 1.00 0.00 C ATOM 220 NE1 TRP A 20 13.601 2.995 9.191 1.00 0.00 N ATOM 221 CE2 TRP A 20 12.480 2.215 9.064 1.00 0.00 C ATOM 222 CE3 TRP A 20 11.061 1.372 7.301 1.00 0.00 C ATOM 223 CZ2 TRP A 20 11.715 1.584 10.033 1.00 0.00 C ATOM 224 CZ3 TRP A 20 10.294 0.740 8.273 1.00 0.00 C ATOM 225 CH2 TRP A 20 10.613 0.845 9.603 1.00 0.00 C ATOM 0 H TRP A 20 12.913 5.650 5.241 1.00 0.00 H new ATOM 0 HA TRP A 20 15.254 3.923 5.663 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.304 3.426 5.132 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.495 2.144 5.034 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.864 4.023 7.744 1.00 0.00 H new ATOM 0 HE1 TRP A 20 14.059 3.237 10.070 1.00 0.00 H new ATOM 0 HE3 TRP A 20 10.803 1.287 6.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 11.963 1.662 11.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 9.434 0.158 7.977 1.00 0.00 H new ATOM 0 HH2 TRP A 20 9.996 0.344 10.334 1.00 0.00 H new ATOM 236 N PRO A 21 15.391 2.948 3.263 1.00 0.00 N ATOM 237 CA PRO A 21 15.703 2.671 1.866 1.00 0.00 C ATOM 238 C PRO A 21 14.436 2.578 1.027 1.00 0.00 C ATOM 239 O PRO A 21 13.360 2.273 1.541 1.00 0.00 O ATOM 240 CB PRO A 21 16.434 1.327 1.937 1.00 0.00 C ATOM 241 CG PRO A 21 17.049 1.316 3.295 1.00 0.00 C ATOM 242 CD PRO A 21 16.023 1.976 4.176 1.00 0.00 C ATOM 0 HA PRO A 21 16.297 3.453 1.393 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.746 0.492 1.805 1.00 0.00 H new ATOM 0 HB3 PRO A 21 17.190 1.243 1.157 1.00 0.00 H new ATOM 0 HG2 PRO A 21 17.262 0.300 3.626 1.00 0.00 H new ATOM 0 HG3 PRO A 21 17.993 1.860 3.308 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.302 1.258 4.566 1.00 0.00 H new ATOM 0 HD3 PRO A 21 16.481 2.466 5.035 1.00 0.00 H new ATOM 250 N PRO A 22 14.569 2.842 -0.269 1.00 0.00 N ATOM 251 CA PRO A 22 13.445 2.742 -1.191 1.00 0.00 C ATOM 252 C PRO A 22 12.756 1.388 -1.075 1.00 0.00 C ATOM 253 O PRO A 22 13.403 0.370 -0.829 1.00 0.00 O ATOM 254 CB PRO A 22 14.106 2.923 -2.561 1.00 0.00 C ATOM 255 CG PRO A 22 15.298 3.774 -2.282 1.00 0.00 C ATOM 256 CD PRO A 22 15.806 3.282 -0.953 1.00 0.00 C ATOM 0 HA PRO A 22 12.661 3.475 -0.997 1.00 0.00 H new ATOM 0 HB2 PRO A 22 14.393 1.965 -2.994 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.430 3.403 -3.269 1.00 0.00 H new ATOM 0 HG2 PRO A 22 16.053 3.667 -3.060 1.00 0.00 H new ATOM 0 HG3 PRO A 22 15.031 4.830 -2.239 1.00 0.00 H new ATOM 0 HD2 PRO A 22 16.516 2.463 -1.070 1.00 0.00 H new ATOM 0 HD3 PRO A 22 16.316 4.070 -0.399 1.00 0.00 H new ATOM 264 N PRO A 23 11.439 1.383 -1.253 1.00 0.00 N ATOM 265 CA PRO A 23 10.653 0.162 -1.123 1.00 0.00 C ATOM 266 C PRO A 23 10.827 -0.738 -2.340 1.00 0.00 C ATOM 267 O PRO A 23 11.060 -0.259 -3.450 1.00 0.00 O ATOM 268 CB PRO A 23 9.218 0.687 -1.009 1.00 0.00 C ATOM 269 CG PRO A 23 9.230 1.958 -1.787 1.00 0.00 C ATOM 270 CD PRO A 23 10.572 2.570 -1.483 1.00 0.00 C ATOM 0 HA PRO A 23 10.949 -0.454 -0.273 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.500 -0.024 -1.419 1.00 0.00 H new ATOM 0 HB3 PRO A 23 8.938 0.859 0.030 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.111 1.772 -2.854 1.00 0.00 H new ATOM 0 HG3 PRO A 23 8.415 2.616 -1.485 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.934 3.179 -2.311 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.531 3.216 -0.606 1.00 0.00 H new ATOM 278 N SER A 24 10.713 -2.044 -2.124 1.00 0.00 N ATOM 279 CA SER A 24 10.691 -3.002 -3.223 1.00 0.00 C ATOM 280 C SER A 24 9.443 -3.873 -3.170 1.00 0.00 C ATOM 281 O SER A 24 8.846 -4.055 -2.109 1.00 0.00 O ATOM 282 CB SER A 24 11.930 -3.875 -3.178 1.00 0.00 C ATOM 283 OG SER A 24 13.091 -3.108 -3.341 1.00 0.00 O ATOM 0 H SER A 24 10.634 -2.463 -1.198 1.00 0.00 H new ATOM 0 HA SER A 24 10.677 -2.441 -4.158 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.971 -4.406 -2.227 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.876 -4.630 -3.962 1.00 0.00 H new ATOM 0 HG SER A 24 13.877 -3.693 -3.307 1.00 0.00 H new ATOM 289 N TYR A 25 9.052 -4.409 -4.321 1.00 0.00 N ATOM 290 CA TYR A 25 7.852 -5.231 -4.415 1.00 0.00 C ATOM 291 C TYR A 25 7.896 -6.132 -5.643 1.00 0.00 C ATOM 292 O TYR A 25 8.764 -5.984 -6.503 1.00 0.00 O ATOM 293 CB TYR A 25 6.601 -4.349 -4.449 1.00 0.00 C ATOM 294 CG TYR A 25 6.495 -3.488 -5.689 1.00 0.00 C ATOM 295 CD1 TYR A 25 5.734 -3.916 -6.767 1.00 0.00 C ATOM 296 CD2 TYR A 25 7.157 -2.271 -5.746 1.00 0.00 C ATOM 297 CE1 TYR A 25 5.637 -3.130 -7.899 1.00 0.00 C ATOM 298 CE2 TYR A 25 7.060 -1.485 -6.878 1.00 0.00 C ATOM 299 CZ TYR A 25 6.304 -1.911 -7.951 1.00 0.00 C ATOM 300 OH TYR A 25 6.207 -1.128 -9.078 1.00 0.00 O ATOM 0 H TYR A 25 9.550 -4.288 -5.203 1.00 0.00 H new ATOM 0 HA TYR A 25 7.811 -5.867 -3.530 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.718 -4.984 -4.382 1.00 0.00 H new ATOM 0 HB3 TYR A 25 6.598 -3.705 -3.569 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.218 -4.863 -6.721 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.748 -1.938 -4.906 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.046 -3.461 -8.740 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.576 -0.537 -6.923 1.00 0.00 H new ATOM 0 HH TYR A 25 6.730 -0.309 -8.953 1.00 0.00 H new ATOM 310 N GLU A 26 6.955 -7.067 -5.718 1.00 0.00 N ATOM 311 CA GLU A 26 6.861 -7.970 -6.859 1.00 0.00 C ATOM 312 C GLU A 26 5.429 -8.442 -7.072 1.00 0.00 C ATOM 313 O GLU A 26 4.724 -8.768 -6.117 1.00 0.00 O ATOM 314 CB GLU A 26 7.782 -9.176 -6.662 1.00 0.00 C ATOM 315 CG GLU A 26 7.794 -10.156 -7.827 1.00 0.00 C ATOM 316 CD GLU A 26 8.746 -11.300 -7.619 1.00 0.00 C ATOM 317 OE1 GLU A 26 9.409 -11.322 -6.610 1.00 0.00 O ATOM 318 OE2 GLU A 26 8.812 -12.154 -8.472 1.00 0.00 O1- ATOM 0 H GLU A 26 6.246 -7.219 -5.001 1.00 0.00 H new ATOM 0 HA GLU A 26 7.176 -7.420 -7.746 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.798 -8.818 -6.494 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.477 -9.707 -5.760 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.788 -10.549 -7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.066 -9.625 -8.739 1.00 0.00 H new ATOM 325 N THR A 27 5.004 -8.477 -8.330 1.00 0.00 N ATOM 326 CA THR A 27 3.637 -8.859 -8.667 1.00 0.00 C ATOM 327 C THR A 27 3.596 -10.229 -9.331 1.00 0.00 C ATOM 328 O THR A 27 4.210 -10.442 -10.377 1.00 0.00 O ATOM 329 CB THR A 27 2.982 -7.816 -9.592 1.00 0.00 C ATOM 330 OG1 THR A 27 2.923 -6.550 -8.923 1.00 0.00 O ATOM 331 CG2 THR A 27 1.576 -8.251 -9.974 1.00 0.00 C ATOM 0 H THR A 27 5.587 -8.245 -9.134 1.00 0.00 H new ATOM 0 HA THR A 27 3.075 -8.905 -7.734 1.00 0.00 H new ATOM 0 HB THR A 27 3.582 -7.727 -10.498 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.508 -5.887 -9.513 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.128 -7.502 -10.628 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.620 -9.208 -10.495 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.970 -8.355 -9.074 1.00 0.00 H new ATOM 339 N GLU A 28 2.869 -11.157 -8.717 1.00 0.00 N ATOM 340 CA GLU A 28 2.685 -12.486 -9.286 1.00 0.00 C ATOM 341 C GLU A 28 1.214 -12.766 -9.566 1.00 0.00 C ATOM 342 O GLU A 28 0.417 -12.932 -8.642 1.00 0.00 O ATOM 343 CB GLU A 28 3.247 -13.553 -8.344 1.00 0.00 C ATOM 344 CG GLU A 28 3.196 -14.970 -8.897 1.00 0.00 C ATOM 345 CD GLU A 28 3.789 -15.985 -7.960 1.00 0.00 C ATOM 346 OE1 GLU A 28 4.172 -15.614 -6.877 1.00 0.00 O ATOM 347 OE2 GLU A 28 3.860 -17.134 -8.328 1.00 0.00 O1- ATOM 0 H GLU A 28 2.397 -11.012 -7.824 1.00 0.00 H new ATOM 0 HA GLU A 28 3.227 -12.521 -10.231 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.282 -13.305 -8.110 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.692 -13.522 -7.407 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.160 -15.237 -9.105 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.730 -15.004 -9.846 1.00 0.00 H new ATOM 354 N THR A 29 0.859 -12.818 -10.845 1.00 0.00 N ATOM 355 CA THR A 29 -0.539 -12.912 -11.250 1.00 0.00 C ATOM 356 C THR A 29 -0.901 -14.336 -11.653 1.00 0.00 C ATOM 357 O THR A 29 -0.025 -15.185 -11.823 1.00 0.00 O ATOM 358 CB THR A 29 -0.845 -11.952 -12.413 1.00 0.00 C ATOM 359 OG1 THR A 29 -0.134 -12.374 -13.584 1.00 0.00 O ATOM 360 CG2 THR A 29 -0.430 -10.532 -12.057 1.00 0.00 C ATOM 0 H THR A 29 1.521 -12.797 -11.621 1.00 0.00 H new ATOM 0 HA THR A 29 -1.144 -12.627 -10.389 1.00 0.00 H new ATOM 0 HB THR A 29 -1.918 -11.969 -12.605 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.331 -11.763 -14.324 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.654 -9.867 -12.891 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.978 -10.203 -11.174 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.640 -10.507 -11.850 1.00 0.00 H new ATOM 368 N GLU A 30 -2.196 -14.592 -11.804 1.00 0.00 N ATOM 369 CA GLU A 30 -2.670 -15.875 -12.308 1.00 0.00 C ATOM 370 C GLU A 30 -2.202 -17.022 -11.421 1.00 0.00 C ATOM 371 O GLU A 30 -1.593 -17.979 -11.898 1.00 0.00 O ATOM 372 CB GLU A 30 -2.185 -16.096 -13.743 1.00 0.00 C ATOM 373 CG GLU A 30 -2.679 -15.058 -14.740 1.00 0.00 C ATOM 374 CD GLU A 30 -2.167 -15.295 -16.133 1.00 0.00 C ATOM 375 OE1 GLU A 30 -1.527 -16.297 -16.348 1.00 0.00 O ATOM 376 OE2 GLU A 30 -2.416 -14.474 -16.984 1.00 0.00 O1- ATOM 0 H GLU A 30 -2.937 -13.926 -11.584 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.760 -15.855 -12.297 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.095 -16.098 -13.749 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.507 -17.083 -14.075 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.769 -15.064 -14.753 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.370 -14.067 -14.408 1.00 0.00 H new ATOM 383 N VAL A 31 -2.491 -16.920 -10.128 1.00 0.00 N ATOM 384 CA VAL A 31 -2.187 -17.992 -9.188 1.00 0.00 C ATOM 385 C VAL A 31 -3.451 -18.500 -8.506 1.00 0.00 C ATOM 386 O VAL A 31 -4.559 -18.082 -8.840 1.00 0.00 O ATOM 387 CB VAL A 31 -1.193 -17.501 -8.120 1.00 0.00 C ATOM 388 CG1 VAL A 31 0.125 -17.096 -8.765 1.00 0.00 C ATOM 389 CG2 VAL A 31 -1.795 -16.337 -7.348 1.00 0.00 C ATOM 0 H VAL A 31 -2.936 -16.104 -9.707 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.741 -18.811 -9.752 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.992 -18.315 -7.423 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.816 -16.751 -7.996 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.556 -17.954 -9.282 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.052 -16.293 -9.480 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.086 -15.995 -6.594 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.016 -15.520 -8.035 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.715 -16.660 -6.861 1.00 0.00 H new ATOM 399 N GLY A 32 -3.277 -19.404 -7.548 1.00 0.00 N ATOM 400 CA GLY A 32 -4.405 -19.980 -6.825 1.00 0.00 C ATOM 401 C GLY A 32 -4.916 -21.239 -7.515 1.00 0.00 C ATOM 402 O GLY A 32 -4.192 -22.225 -7.644 1.00 0.00 O ATOM 0 H GLY A 32 -2.365 -19.754 -7.254 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.103 -20.218 -5.805 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.209 -19.247 -6.757 1.00 0.00 H new ATOM 406 N LEU A 33 -6.169 -21.197 -7.956 1.00 0.00 N ATOM 407 CA LEU A 33 -6.798 -22.353 -8.584 1.00 0.00 C ATOM 408 C LEU A 33 -7.069 -22.098 -10.061 1.00 0.00 C ATOM 409 O LEU A 33 -7.137 -20.950 -10.501 1.00 0.00 O ATOM 410 CB LEU A 33 -8.111 -22.695 -7.869 1.00 0.00 C ATOM 411 CG LEU A 33 -7.995 -22.979 -6.366 1.00 0.00 C ATOM 412 CD1 LEU A 33 -9.384 -23.194 -5.780 1.00 0.00 C ATOM 413 CD2 LEU A 33 -7.115 -24.200 -6.146 1.00 0.00 C ATOM 0 H LEU A 33 -6.769 -20.375 -7.890 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.110 -23.194 -8.501 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.807 -21.868 -8.011 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.550 -23.568 -8.352 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.536 -22.129 -5.861 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.301 -23.396 -4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.987 -22.299 -5.934 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.860 -24.041 -6.273 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.033 -24.402 -5.078 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.558 -25.062 -6.645 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.123 -24.013 -6.557 1.00 0.00 H new ATOM 425 N PRO A 34 -7.223 -23.175 -10.824 1.00 0.00 N ATOM 426 CA PRO A 34 -7.513 -23.070 -12.249 1.00 0.00 C ATOM 427 C PRO A 34 -8.754 -22.223 -12.497 1.00 0.00 C ATOM 428 O PRO A 34 -8.848 -21.523 -13.505 1.00 0.00 O ATOM 429 CB PRO A 34 -7.732 -24.528 -12.664 1.00 0.00 C ATOM 430 CG PRO A 34 -6.910 -25.311 -11.698 1.00 0.00 C ATOM 431 CD PRO A 34 -7.074 -24.582 -10.391 1.00 0.00 C ATOM 0 HA PRO A 34 -6.721 -22.582 -12.816 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -8.785 -24.804 -12.607 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -7.412 -24.702 -13.691 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.257 -26.342 -11.625 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.865 -25.348 -12.004 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.947 -24.931 -9.839 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.210 -24.717 -9.740 1.00 0.00 H new ATOM 439 N HIS A 35 -9.706 -22.291 -11.572 1.00 0.00 N ATOM 440 CA HIS A 35 -10.974 -21.589 -11.724 1.00 0.00 C ATOM 441 C HIS A 35 -11.006 -20.321 -10.880 1.00 0.00 C ATOM 442 O HIS A 35 -11.666 -19.344 -11.235 1.00 0.00 O ATOM 443 CB HIS A 35 -12.146 -22.497 -11.336 1.00 0.00 C ATOM 444 CG HIS A 35 -12.277 -23.712 -12.201 1.00 0.00 C ATOM 445 ND1 HIS A 35 -12.709 -23.650 -13.509 1.00 0.00 N ATOM 446 CD2 HIS A 35 -12.033 -25.019 -11.946 1.00 0.00 C ATOM 447 CE1 HIS A 35 -12.725 -24.869 -14.021 1.00 0.00 C ATOM 448 NE2 HIS A 35 -12.320 -25.716 -13.093 1.00 0.00 N ATOM 0 H HIS A 35 -9.622 -22.826 -10.708 1.00 0.00 H new ATOM 0 HA HIS A 35 -11.071 -21.310 -12.773 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -12.023 -22.811 -10.299 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -13.071 -21.923 -11.388 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -11.679 -25.435 -11.014 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -13.019 -25.128 -15.027 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -12.234 -26.726 -13.210 1.00 0.00 H new ATOM 455 N GLU A 36 -10.289 -20.342 -9.762 1.00 0.00 N ATOM 456 CA GLU A 36 -10.216 -19.186 -8.876 1.00 0.00 C ATOM 457 C GLU A 36 -8.927 -18.405 -9.095 1.00 0.00 C ATOM 458 O GLU A 36 -7.911 -18.673 -8.454 1.00 0.00 O ATOM 459 CB GLU A 36 -10.315 -19.627 -7.414 1.00 0.00 C ATOM 460 CG GLU A 36 -10.492 -18.485 -6.423 1.00 0.00 C ATOM 461 CD GLU A 36 -11.734 -17.677 -6.679 1.00 0.00 C ATOM 462 OE1 GLU A 36 -12.807 -18.220 -6.565 1.00 0.00 O ATOM 463 OE2 GLU A 36 -11.610 -16.516 -6.988 1.00 0.00 O1- ATOM 0 H GLU A 36 -9.749 -21.148 -9.447 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.057 -18.533 -9.110 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.154 -20.315 -7.311 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.414 -20.182 -7.153 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.530 -18.890 -5.412 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.622 -17.830 -6.471 1.00 0.00 H new ATOM 470 N ARG A 37 -8.975 -17.437 -10.004 1.00 0.00 N ATOM 471 CA ARG A 37 -7.802 -16.637 -10.334 1.00 0.00 C ATOM 472 C ARG A 37 -7.454 -15.677 -9.203 1.00 0.00 C ATOM 473 O ARG A 37 -8.099 -14.643 -9.033 1.00 0.00 O ATOM 474 CB ARG A 37 -8.036 -15.846 -11.613 1.00 0.00 C ATOM 475 CG ARG A 37 -6.848 -15.020 -12.080 1.00 0.00 C ATOM 476 CD ARG A 37 -7.120 -14.352 -13.379 1.00 0.00 C ATOM 477 NE ARG A 37 -5.984 -13.565 -13.832 1.00 0.00 N ATOM 478 CZ ARG A 37 -5.981 -12.792 -14.935 1.00 0.00 C ATOM 479 NH1 ARG A 37 -7.058 -12.713 -15.686 1.00 0.00 N1+ ATOM 480 NH2 ARG A 37 -4.896 -12.113 -15.263 1.00 0.00 N ATOM 0 H ARG A 37 -9.815 -17.188 -10.526 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.968 -17.323 -10.480 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.312 -16.540 -12.407 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.886 -15.180 -11.461 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.609 -14.269 -11.327 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.973 -15.663 -12.178 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.364 -15.104 -14.130 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.993 -13.706 -13.280 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.130 -13.601 -13.276 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.896 -13.237 -15.433 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.056 -12.128 -16.521 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.061 -12.174 -14.681 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.894 -11.528 -16.098 1.00 0.00 H new ATOM 494 N LEU A 38 -6.430 -16.026 -8.432 1.00 0.00 N ATOM 495 CA LEU A 38 -5.966 -15.175 -7.343 1.00 0.00 C ATOM 496 C LEU A 38 -4.715 -14.403 -7.742 1.00 0.00 C ATOM 497 O LEU A 38 -4.088 -14.700 -8.759 1.00 0.00 O ATOM 498 CB LEU A 38 -5.676 -16.021 -6.096 1.00 0.00 C ATOM 499 CG LEU A 38 -6.848 -16.865 -5.578 1.00 0.00 C ATOM 500 CD1 LEU A 38 -6.385 -17.705 -4.396 1.00 0.00 C ATOM 501 CD2 LEU A 38 -7.997 -15.950 -5.182 1.00 0.00 C ATOM 0 H LEU A 38 -5.905 -16.894 -8.541 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.756 -14.458 -7.119 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.842 -16.687 -6.317 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.349 -15.356 -5.296 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.198 -17.537 -6.361 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.217 -18.305 -4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.576 -18.363 -4.712 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.030 -17.050 -3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.830 -16.550 -4.814 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.666 -15.269 -4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.320 -15.375 -6.050 1.00 0.00 H new ATOM 513 N PHE A 39 -4.357 -13.410 -6.936 1.00 0.00 N ATOM 514 CA PHE A 39 -3.157 -12.619 -7.180 1.00 0.00 C ATOM 515 C PHE A 39 -2.297 -12.520 -5.926 1.00 0.00 C ATOM 516 O PHE A 39 -2.813 -12.364 -4.819 1.00 0.00 O ATOM 517 CB PHE A 39 -3.530 -11.215 -7.660 1.00 0.00 C ATOM 518 CG PHE A 39 -4.334 -11.203 -8.929 1.00 0.00 C ATOM 519 CD1 PHE A 39 -5.719 -11.259 -8.890 1.00 0.00 C ATOM 520 CD2 PHE A 39 -3.707 -11.136 -10.164 1.00 0.00 C ATOM 521 CE1 PHE A 39 -6.460 -11.248 -10.056 1.00 0.00 C ATOM 522 CE2 PHE A 39 -4.445 -11.124 -11.332 1.00 0.00 C ATOM 523 CZ PHE A 39 -5.824 -11.180 -11.277 1.00 0.00 C ATOM 0 H PHE A 39 -4.882 -13.133 -6.106 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.581 -13.123 -7.956 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.097 -10.712 -6.877 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.617 -10.639 -7.813 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.224 -11.312 -7.937 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.629 -11.093 -10.213 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.538 -11.293 -10.011 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.944 -11.071 -12.287 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.403 -11.171 -12.189 1.00 0.00 H new ATOM 533 N THR A 40 -0.984 -12.612 -6.106 1.00 0.00 N ATOM 534 CA THR A 40 -0.052 -12.565 -4.986 1.00 0.00 C ATOM 535 C THR A 40 0.904 -11.386 -5.115 1.00 0.00 C ATOM 536 O THR A 40 1.622 -11.263 -6.108 1.00 0.00 O ATOM 537 CB THR A 40 0.752 -13.873 -4.877 1.00 0.00 C ATOM 538 OG1 THR A 40 -0.144 -14.971 -4.659 1.00 0.00 O ATOM 539 CG2 THR A 40 1.743 -13.797 -3.726 1.00 0.00 C ATOM 0 H THR A 40 -0.541 -12.720 -7.018 1.00 0.00 H new ATOM 0 HA THR A 40 -0.644 -12.440 -4.079 1.00 0.00 H new ATOM 0 HB THR A 40 1.302 -14.022 -5.806 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.369 -15.803 -4.592 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.302 -14.731 -3.665 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.434 -12.971 -3.895 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.204 -13.635 -2.792 1.00 0.00 H new ATOM 547 N ILE A 41 0.910 -10.521 -4.106 1.00 0.00 N ATOM 548 CA ILE A 41 1.802 -9.369 -4.090 1.00 0.00 C ATOM 549 C ILE A 41 2.837 -9.489 -2.979 1.00 0.00 C ATOM 550 O ILE A 41 2.492 -9.676 -1.813 1.00 0.00 O ATOM 551 CB ILE A 41 1.008 -8.062 -3.912 1.00 0.00 C ATOM 552 CG1 ILE A 41 -0.017 -7.902 -5.038 1.00 0.00 C ATOM 553 CG2 ILE A 41 1.950 -6.868 -3.872 1.00 0.00 C ATOM 554 CD1 ILE A 41 0.602 -7.735 -6.407 1.00 0.00 C ATOM 0 H ILE A 41 0.306 -10.597 -3.288 1.00 0.00 H new ATOM 0 HA ILE A 41 2.318 -9.345 -5.050 1.00 0.00 H new ATOM 0 HB ILE A 41 0.473 -8.108 -2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.670 -8.775 -5.049 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.645 -7.037 -4.825 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.372 -5.953 -3.746 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.642 -6.978 -3.037 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.512 -6.817 -4.805 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.186 -7.628 -7.152 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.233 -6.846 -6.415 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.207 -8.611 -6.642 1.00 0.00 H new ATOM 566 N ALA A 42 4.109 -9.382 -3.349 1.00 0.00 N ATOM 567 CA ALA A 42 5.195 -9.413 -2.376 1.00 0.00 C ATOM 568 C ALA A 42 5.784 -8.025 -2.162 1.00 0.00 C ATOM 569 O ALA A 42 5.915 -7.244 -3.105 1.00 0.00 O ATOM 570 CB ALA A 42 6.278 -10.384 -2.823 1.00 0.00 C ATOM 0 H ALA A 42 4.413 -9.273 -4.316 1.00 0.00 H new ATOM 0 HA ALA A 42 4.785 -9.754 -1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.082 -10.396 -2.087 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.855 -11.384 -2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.674 -10.068 -3.788 1.00 0.00 H new ATOM 576 N CYS A 43 6.137 -7.723 -0.918 1.00 0.00 N ATOM 577 CA CYS A 43 6.754 -6.444 -0.585 1.00 0.00 C ATOM 578 C CYS A 43 8.001 -6.639 0.267 1.00 0.00 C ATOM 579 O CYS A 43 8.117 -7.621 1.000 1.00 0.00 O ATOM 580 CB CYS A 43 5.766 -5.549 0.163 1.00 0.00 C ATOM 581 SG CYS A 43 4.289 -5.121 -0.790 1.00 0.00 S ATOM 0 H CYS A 43 6.006 -8.347 -0.122 1.00 0.00 H new ATOM 0 HA CYS A 43 7.040 -5.965 -1.522 1.00 0.00 H new ATOM 0 HB2 CYS A 43 5.460 -6.051 1.081 1.00 0.00 H new ATOM 0 HB3 CYS A 43 6.275 -4.631 0.457 1.00 0.00 H new ATOM 0 HG CYS A 43 3.421 -4.546 -0.011 1.00 0.00 H new ATOM 587 N SER A 44 8.933 -5.696 0.168 1.00 0.00 N ATOM 588 CA SER A 44 10.158 -5.744 0.957 1.00 0.00 C ATOM 589 C SER A 44 10.560 -4.354 1.433 1.00 0.00 C ATOM 590 O SER A 44 10.784 -3.451 0.627 1.00 0.00 O ATOM 591 CB SER A 44 11.281 -6.354 0.142 1.00 0.00 C ATOM 592 OG SER A 44 12.481 -6.359 0.865 1.00 0.00 O ATOM 0 H SER A 44 8.863 -4.889 -0.452 1.00 0.00 H new ATOM 0 HA SER A 44 9.970 -6.365 1.833 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.018 -7.374 -0.140 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.412 -5.791 -0.782 1.00 0.00 H new ATOM 0 HG SER A 44 12.288 -6.473 1.819 1.00 0.00 H new ATOM 598 N ILE A 45 10.651 -4.188 2.749 1.00 0.00 N ATOM 599 CA ILE A 45 10.926 -2.884 3.339 1.00 0.00 C ATOM 600 C ILE A 45 12.064 -2.965 4.348 1.00 0.00 C ATOM 601 O ILE A 45 12.061 -3.818 5.235 1.00 0.00 O ATOM 602 CB ILE A 45 9.670 -2.316 4.025 1.00 0.00 C ATOM 603 CG1 ILE A 45 8.533 -2.159 3.013 1.00 0.00 C ATOM 604 CG2 ILE A 45 9.983 -0.984 4.689 1.00 0.00 C ATOM 605 CD1 ILE A 45 8.790 -1.100 1.964 1.00 0.00 C ATOM 0 H ILE A 45 10.538 -4.942 3.427 1.00 0.00 H new ATOM 0 HA ILE A 45 11.222 -2.217 2.529 1.00 0.00 H new ATOM 0 HB ILE A 45 9.350 -3.017 4.796 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.366 -3.115 2.517 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.615 -1.913 3.547 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.084 -0.597 5.169 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.762 -1.125 5.438 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.327 -0.274 3.937 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.940 -1.048 1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.927 -0.133 2.449 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.689 -1.355 1.403 1.00 0.00 H new ATOM 617 N LEU A 46 13.037 -2.071 4.207 1.00 0.00 N ATOM 618 CA LEU A 46 14.167 -2.017 5.128 1.00 0.00 C ATOM 619 C LEU A 46 14.896 -3.353 5.184 1.00 0.00 C ATOM 620 O LEU A 46 15.682 -3.680 4.294 1.00 0.00 O ATOM 621 CB LEU A 46 13.687 -1.629 6.532 1.00 0.00 C ATOM 622 CG LEU A 46 14.790 -1.433 7.581 1.00 0.00 C ATOM 623 CD1 LEU A 46 15.645 -0.232 7.200 1.00 0.00 C ATOM 624 CD2 LEU A 46 14.158 -1.242 8.952 1.00 0.00 C ATOM 0 H LEU A 46 13.066 -1.373 3.463 1.00 0.00 H new ATOM 0 HA LEU A 46 14.862 -1.262 4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 46 13.113 -0.705 6.458 1.00 0.00 H new ATOM 0 HB3 LEU A 46 13.004 -2.400 6.889 1.00 0.00 H new ATOM 0 HG LEU A 46 15.431 -2.314 7.618 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.429 -0.092 7.945 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.099 -0.403 6.224 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.021 0.661 7.158 1.00 0.00 H new ATOM 0 HD21 LEU A 46 14.941 -1.103 9.697 1.00 0.00 H new ATOM 0 HD22 LEU A 46 13.512 -0.364 8.936 1.00 0.00 H new ATOM 0 HD23 LEU A 46 13.567 -2.122 9.206 1.00 0.00 H new ATOM 636 N ASN A 47 14.632 -4.122 6.234 1.00 0.00 N ATOM 637 CA ASN A 47 15.278 -5.416 6.419 1.00 0.00 C ATOM 638 C ASN A 47 14.249 -6.533 6.541 1.00 0.00 C ATOM 639 O ASN A 47 14.523 -7.581 7.126 1.00 0.00 O ATOM 640 CB ASN A 47 16.186 -5.391 7.634 1.00 0.00 C ATOM 641 CG ASN A 47 17.376 -4.491 7.448 1.00 0.00 C ATOM 642 OD1 ASN A 47 17.887 -4.340 6.332 1.00 0.00 O ATOM 643 ND2 ASN A 47 17.827 -3.890 8.519 1.00 0.00 N ATOM 0 H ASN A 47 13.974 -3.871 6.972 1.00 0.00 H new ATOM 0 HA ASN A 47 15.886 -5.616 5.537 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.616 -5.059 8.502 1.00 0.00 H new ATOM 0 HB3 ASN A 47 16.530 -6.403 7.847 1.00 0.00 H new ATOM 0 HD21 ASN A 47 18.632 -3.267 8.453 1.00 0.00 H new ATOM 0 HD22 ASN A 47 17.374 -4.044 9.420 1.00 0.00 H new ATOM 650 N TYR A 48 13.064 -6.302 5.986 1.00 0.00 N ATOM 651 CA TYR A 48 11.961 -7.247 6.113 1.00 0.00 C ATOM 652 C TYR A 48 11.341 -7.556 4.757 1.00 0.00 C ATOM 653 O TYR A 48 11.495 -6.791 3.804 1.00 0.00 O ATOM 654 CB TYR A 48 10.898 -6.704 7.071 1.00 0.00 C ATOM 655 CG TYR A 48 11.397 -6.502 8.485 1.00 0.00 C ATOM 656 CD1 TYR A 48 12.034 -5.321 8.834 1.00 0.00 C ATOM 657 CD2 TYR A 48 11.216 -7.499 9.433 1.00 0.00 C ATOM 658 CE1 TYR A 48 12.489 -5.136 10.125 1.00 0.00 C ATOM 659 CE2 TYR A 48 11.671 -7.314 10.724 1.00 0.00 C ATOM 660 CZ TYR A 48 12.306 -6.139 11.071 1.00 0.00 C ATOM 661 OH TYR A 48 12.759 -5.955 12.357 1.00 0.00 O ATOM 0 H TYR A 48 12.843 -5.467 5.443 1.00 0.00 H new ATOM 0 HA TYR A 48 12.361 -8.175 6.521 1.00 0.00 H new ATOM 0 HB2 TYR A 48 10.528 -5.753 6.687 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.053 -7.392 7.089 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.175 -4.545 8.096 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.720 -8.419 9.162 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.985 -4.216 10.399 1.00 0.00 H new ATOM 0 HE2 TYR A 48 11.530 -8.089 11.462 1.00 0.00 H new ATOM 0 HH TYR A 48 12.552 -6.749 12.893 1.00 0.00 H new ATOM 671 N ARG A 49 10.639 -8.682 4.675 1.00 0.00 N ATOM 672 CA ARG A 49 9.986 -9.089 3.437 1.00 0.00 C ATOM 673 C ARG A 49 8.785 -9.982 3.716 1.00 0.00 C ATOM 674 O ARG A 49 8.867 -10.920 4.510 1.00 0.00 O ATOM 675 CB ARG A 49 10.964 -9.827 2.534 1.00 0.00 C ATOM 676 CG ARG A 49 10.440 -10.132 1.139 1.00 0.00 C ATOM 677 CD ARG A 49 11.476 -10.779 0.293 1.00 0.00 C ATOM 678 NE ARG A 49 10.931 -11.239 -0.974 1.00 0.00 N ATOM 679 CZ ARG A 49 11.672 -11.597 -2.041 1.00 0.00 C ATOM 680 NH1 ARG A 49 12.984 -11.542 -1.977 1.00 0.00 N1+ ATOM 681 NH2 ARG A 49 11.081 -12.003 -3.150 1.00 0.00 N ATOM 0 H ARG A 49 10.508 -9.329 5.453 1.00 0.00 H new ATOM 0 HA ARG A 49 9.642 -8.185 2.935 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.873 -9.232 2.443 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.244 -10.764 3.015 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.570 -10.784 1.212 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.108 -9.208 0.665 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.285 -10.073 0.105 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.908 -11.623 0.830 1.00 0.00 H new ATOM 0 HE ARG A 49 9.916 -11.295 -1.061 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.440 -11.229 -1.120 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.546 -11.813 -2.784 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.063 -12.046 -3.199 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.642 -12.274 -3.957 1.00 0.00 H new ATOM 695 N GLU A 50 7.668 -9.686 3.059 1.00 0.00 N ATOM 696 CA GLU A 50 6.437 -10.440 3.262 1.00 0.00 C ATOM 697 C GLU A 50 5.466 -10.231 2.107 1.00 0.00 C ATOM 698 O GLU A 50 5.527 -9.220 1.408 1.00 0.00 O ATOM 699 CB GLU A 50 5.773 -10.033 4.579 1.00 0.00 C ATOM 700 CG GLU A 50 4.606 -10.917 4.996 1.00 0.00 C ATOM 701 CD GLU A 50 4.976 -12.371 5.082 1.00 0.00 C ATOM 702 OE1 GLU A 50 5.089 -12.998 4.056 1.00 0.00 O ATOM 703 OE2 GLU A 50 5.146 -12.856 6.176 1.00 0.00 O1- ATOM 0 H GLU A 50 7.591 -8.928 2.381 1.00 0.00 H new ATOM 0 HA GLU A 50 6.698 -11.498 3.304 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.524 -10.047 5.369 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.421 -9.005 4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.233 -10.584 5.964 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.792 -10.796 4.282 1.00 0.00 H new ATOM 710 N MET A 51 4.570 -11.193 1.913 1.00 0.00 N ATOM 711 CA MET A 51 3.651 -11.166 0.781 1.00 0.00 C ATOM 712 C MET A 51 2.231 -11.505 1.216 1.00 0.00 C ATOM 713 O MET A 51 2.021 -12.101 2.272 1.00 0.00 O ATOM 714 CB MET A 51 4.122 -12.133 -0.304 1.00 0.00 C ATOM 715 CG MET A 51 4.099 -13.599 0.106 1.00 0.00 C ATOM 716 SD MET A 51 4.746 -14.690 -1.176 1.00 0.00 S ATOM 717 CE MET A 51 6.487 -14.276 -1.125 1.00 0.00 C ATOM 0 H MET A 51 4.461 -12.001 2.525 1.00 0.00 H new ATOM 0 HA MET A 51 3.644 -10.155 0.374 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.493 -12.005 -1.185 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.138 -11.866 -0.595 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.685 -13.727 1.016 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.076 -13.890 0.343 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.061 -15.055 -1.626 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.650 -13.324 -1.630 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.812 -14.196 -0.088 1.00 0.00 H new ATOM 727 N GLY A 52 1.259 -11.122 0.395 1.00 0.00 N ATOM 728 CA GLY A 52 -0.139 -11.432 0.667 1.00 0.00 C ATOM 729 C GLY A 52 -0.891 -11.760 -0.617 1.00 0.00 C ATOM 730 O GLY A 52 -0.593 -11.212 -1.679 1.00 0.00 O ATOM 0 H GLY A 52 1.414 -10.596 -0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.200 -12.277 1.353 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.612 -10.584 1.162 1.00 0.00 H new ATOM 734 N LYS A 53 -1.866 -12.656 -0.514 1.00 0.00 N ATOM 735 CA LYS A 53 -2.624 -13.101 -1.677 1.00 0.00 C ATOM 736 C LYS A 53 -4.106 -12.784 -1.524 1.00 0.00 C ATOM 737 O LYS A 53 -4.682 -12.967 -0.452 1.00 0.00 O ATOM 738 CB LYS A 53 -2.427 -14.601 -1.902 1.00 0.00 C ATOM 739 CG LYS A 53 -3.294 -15.190 -3.007 1.00 0.00 C ATOM 740 CD LYS A 53 -2.846 -16.598 -3.370 1.00 0.00 C ATOM 741 CE LYS A 53 -3.177 -17.588 -2.262 1.00 0.00 C ATOM 742 NZ LYS A 53 -2.797 -18.979 -2.628 1.00 0.00 N1+ ATOM 0 H LYS A 53 -2.150 -13.089 0.365 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.249 -12.560 -2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.380 -14.786 -2.141 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.639 -15.127 -0.971 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.335 -15.209 -2.684 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.246 -14.552 -3.889 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.331 -16.909 -4.295 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.772 -16.603 -3.556 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.657 -17.298 -1.349 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.245 -17.548 -2.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.039 -19.622 -1.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.312 -19.266 -3.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.774 -19.023 -2.808 1.00 0.00 H new ATOM 756 N GLY A 54 -4.718 -12.307 -2.602 1.00 0.00 N ATOM 757 CA GLY A 54 -6.118 -11.900 -2.572 1.00 0.00 C ATOM 758 C GLY A 54 -6.837 -12.303 -3.853 1.00 0.00 C ATOM 759 O GLY A 54 -6.242 -12.904 -4.747 1.00 0.00 O ATOM 0 H GLY A 54 -4.266 -12.192 -3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.614 -12.356 -1.715 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.183 -10.820 -2.440 1.00 0.00 H new ATOM 763 N LYS A 55 -8.120 -11.967 -3.936 1.00 0.00 N ATOM 764 CA LYS A 55 -8.928 -12.312 -5.099 1.00 0.00 C ATOM 765 C LYS A 55 -8.678 -11.345 -6.249 1.00 0.00 C ATOM 766 O LYS A 55 -8.949 -11.660 -7.408 1.00 0.00 O ATOM 767 CB LYS A 55 -10.414 -12.322 -4.735 1.00 0.00 C ATOM 768 CG LYS A 55 -10.817 -13.430 -3.772 1.00 0.00 C ATOM 769 CD LYS A 55 -12.304 -13.373 -3.455 1.00 0.00 C ATOM 770 CE LYS A 55 -12.715 -14.499 -2.518 1.00 0.00 C ATOM 771 NZ LYS A 55 -14.173 -14.472 -2.222 1.00 0.00 N1+ ATOM 0 H LYS A 55 -8.623 -11.456 -3.211 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.636 -13.311 -5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.674 -11.360 -4.293 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.999 -12.421 -5.649 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.573 -14.399 -4.207 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.243 -13.340 -2.850 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.544 -12.412 -2.999 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.878 -13.439 -4.380 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.454 -15.458 -2.966 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.154 -14.419 -1.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.412 -15.255 -1.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.419 -13.568 -1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.709 -14.574 -3.107 1.00 0.00 H new ATOM 785 N SER A 56 -8.158 -10.166 -5.923 1.00 0.00 N ATOM 786 CA SER A 56 -7.798 -9.180 -6.935 1.00 0.00 C ATOM 787 C SER A 56 -6.423 -8.586 -6.659 1.00 0.00 C ATOM 788 O SER A 56 -5.862 -8.769 -5.579 1.00 0.00 O ATOM 789 CB SER A 56 -8.836 -8.076 -6.981 1.00 0.00 C ATOM 790 OG SER A 56 -8.766 -7.272 -5.836 1.00 0.00 O ATOM 0 H SER A 56 -7.976 -9.870 -4.964 1.00 0.00 H new ATOM 0 HA SER A 56 -7.765 -9.685 -7.900 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.681 -7.464 -7.869 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.832 -8.512 -7.063 1.00 0.00 H new ATOM 0 HG SER A 56 -9.444 -6.566 -5.890 1.00 0.00 H new ATOM 796 N LYS A 57 -5.885 -7.872 -7.642 1.00 0.00 N ATOM 797 CA LYS A 57 -4.609 -7.185 -7.481 1.00 0.00 C ATOM 798 C LYS A 57 -4.672 -6.165 -6.351 1.00 0.00 C ATOM 799 O LYS A 57 -3.744 -6.053 -5.550 1.00 0.00 O ATOM 800 CB LYS A 57 -4.201 -6.499 -8.786 1.00 0.00 C ATOM 801 CG LYS A 57 -3.802 -7.457 -9.901 1.00 0.00 C ATOM 802 CD LYS A 57 -3.421 -6.703 -11.166 1.00 0.00 C ATOM 803 CE LYS A 57 -3.062 -7.659 -12.294 1.00 0.00 C ATOM 804 NZ LYS A 57 -2.722 -6.936 -13.550 1.00 0.00 N1+ ATOM 0 H LYS A 57 -6.314 -7.754 -8.560 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.858 -7.932 -7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.030 -5.882 -9.133 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.366 -5.828 -8.584 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.962 -8.070 -9.574 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.628 -8.135 -10.114 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.250 -6.067 -11.476 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.575 -6.047 -10.960 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.216 -8.276 -11.991 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.899 -8.333 -12.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.484 -7.624 -14.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.537 -6.366 -13.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.907 -6.312 -13.382 1.00 0.00 H new ATOM 818 N LYS A 58 -5.773 -5.423 -6.291 1.00 0.00 N ATOM 819 CA LYS A 58 -5.971 -4.430 -5.242 1.00 0.00 C ATOM 820 C LYS A 58 -5.976 -5.079 -3.864 1.00 0.00 C ATOM 821 O LYS A 58 -5.276 -4.633 -2.955 1.00 0.00 O ATOM 822 CB LYS A 58 -7.277 -3.666 -5.468 1.00 0.00 C ATOM 823 CG LYS A 58 -7.557 -2.581 -4.437 1.00 0.00 C ATOM 824 CD LYS A 58 -8.824 -1.810 -4.775 1.00 0.00 C ATOM 825 CE LYS A 58 -9.128 -0.752 -3.725 1.00 0.00 C ATOM 826 NZ LYS A 58 -10.372 0.002 -4.037 1.00 0.00 N1+ ATOM 0 H LYS A 58 -6.542 -5.491 -6.957 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.138 -3.728 -5.285 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.251 -3.211 -6.458 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.104 -4.376 -5.465 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.656 -3.032 -3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.712 -1.894 -4.391 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.714 -1.336 -5.750 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.663 -2.502 -4.850 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.228 -1.228 -2.749 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.291 -0.058 -3.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.542 0.712 -3.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.268 0.478 -4.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.176 -0.656 -4.076 1.00 0.00 H new ATOM 840 N ILE A 59 -6.770 -6.134 -3.715 1.00 0.00 N ATOM 841 CA ILE A 59 -6.865 -6.847 -2.447 1.00 0.00 C ATOM 842 C ILE A 59 -5.511 -7.400 -2.022 1.00 0.00 C ATOM 843 O ILE A 59 -5.111 -7.269 -0.865 1.00 0.00 O ATOM 844 CB ILE A 59 -7.884 -7.998 -2.540 1.00 0.00 C ATOM 845 CG1 ILE A 59 -9.300 -7.445 -2.717 1.00 0.00 C ATOM 846 CG2 ILE A 59 -7.804 -8.880 -1.304 1.00 0.00 C ATOM 847 CD1 ILE A 59 -10.322 -8.493 -3.095 1.00 0.00 C ATOM 0 H ILE A 59 -7.357 -6.514 -4.457 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.202 -6.131 -1.697 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.641 -8.606 -3.411 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -9.611 -6.966 -1.789 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -9.285 -6.672 -3.485 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -8.531 -9.688 -1.386 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.802 -9.300 -1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.022 -8.285 -0.417 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -11.300 -8.025 -3.202 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -10.036 -8.956 -4.039 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -10.368 -9.254 -2.316 1.00 0.00 H new ATOM 859 N ALA A 60 -4.808 -8.019 -2.965 1.00 0.00 N ATOM 860 CA ALA A 60 -3.506 -8.613 -2.684 1.00 0.00 C ATOM 861 C ALA A 60 -2.501 -7.554 -2.250 1.00 0.00 C ATOM 862 O ALA A 60 -1.721 -7.769 -1.322 1.00 0.00 O ATOM 863 CB ALA A 60 -2.992 -9.362 -3.905 1.00 0.00 C ATOM 0 H ALA A 60 -5.118 -8.122 -3.931 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.627 -9.319 -1.863 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.019 -9.800 -3.680 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.694 -10.153 -4.169 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.894 -8.670 -4.742 1.00 0.00 H new ATOM 869 N LYS A 61 -2.523 -6.411 -2.926 1.00 0.00 N ATOM 870 CA LYS A 61 -1.636 -5.304 -2.590 1.00 0.00 C ATOM 871 C LYS A 61 -1.908 -4.789 -1.182 1.00 0.00 C ATOM 872 O LYS A 61 -0.980 -4.508 -0.423 1.00 0.00 O ATOM 873 CB LYS A 61 -1.786 -4.169 -3.604 1.00 0.00 C ATOM 874 CG LYS A 61 -1.156 -4.451 -4.961 1.00 0.00 C ATOM 875 CD LYS A 61 -1.379 -3.295 -5.924 1.00 0.00 C ATOM 876 CE LYS A 61 -0.799 -3.598 -7.298 1.00 0.00 C ATOM 877 NZ LYS A 61 -1.023 -2.481 -8.256 1.00 0.00 N1+ ATOM 0 H LYS A 61 -3.147 -6.227 -3.712 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.612 -5.675 -2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.847 -3.962 -3.745 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.338 -3.266 -3.189 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.087 -4.625 -4.839 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.581 -5.363 -5.379 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.447 -3.095 -6.014 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.918 -2.392 -5.524 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.270 -3.788 -7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.252 -4.508 -7.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.613 -2.728 -9.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.044 -2.316 -8.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.569 -1.618 -7.895 1.00 0.00 H new ATOM 891 N ARG A 62 -3.186 -4.667 -0.839 1.00 0.00 N ATOM 892 CA ARG A 62 -3.582 -4.210 0.488 1.00 0.00 C ATOM 893 C ARG A 62 -3.126 -5.186 1.565 1.00 0.00 C ATOM 894 O ARG A 62 -2.606 -4.779 2.604 1.00 0.00 O ATOM 895 CB ARG A 62 -5.093 -4.043 0.566 1.00 0.00 C ATOM 896 CG ARG A 62 -5.646 -2.860 -0.212 1.00 0.00 C ATOM 897 CD ARG A 62 -7.132 -2.845 -0.207 1.00 0.00 C ATOM 898 NE ARG A 62 -7.667 -2.615 1.125 1.00 0.00 N ATOM 899 CZ ARG A 62 -8.953 -2.806 1.477 1.00 0.00 C ATOM 900 NH1 ARG A 62 -9.822 -3.230 0.586 1.00 0.00 N1+ ATOM 901 NH2 ARG A 62 -9.342 -2.567 2.717 1.00 0.00 N ATOM 0 H ARG A 62 -3.966 -4.878 -1.462 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.101 -3.247 0.661 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.564 -4.954 0.198 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.379 -3.937 1.612 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.271 -1.933 0.221 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.286 -2.900 -1.240 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.490 -2.067 -0.881 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.506 -3.795 -0.590 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.023 -2.286 1.844 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.522 -3.414 -0.371 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.796 -3.375 0.852 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.668 -2.238 3.408 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.316 -2.712 2.983 1.00 0.00 H new ATOM 915 N LEU A 63 -3.323 -6.475 1.311 1.00 0.00 N ATOM 916 CA LEU A 63 -2.914 -7.512 2.250 1.00 0.00 C ATOM 917 C LEU A 63 -1.398 -7.562 2.390 1.00 0.00 C ATOM 918 O LEU A 63 -0.873 -7.774 3.483 1.00 0.00 O ATOM 919 CB LEU A 63 -3.437 -8.879 1.791 1.00 0.00 C ATOM 920 CG LEU A 63 -4.956 -9.073 1.874 1.00 0.00 C ATOM 921 CD1 LEU A 63 -5.339 -10.385 1.202 1.00 0.00 C ATOM 922 CD2 LEU A 63 -5.391 -9.057 3.331 1.00 0.00 C ATOM 0 H LEU A 63 -3.764 -6.827 0.461 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.341 -7.269 3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.125 -9.039 0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.957 -9.651 2.392 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.464 -8.260 1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.419 -10.523 1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.033 -10.361 0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.840 -11.212 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.471 -9.195 3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.892 -9.864 3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.122 -8.101 3.780 1.00 0.00 H new ATOM 934 N ALA A 64 -0.700 -7.365 1.277 1.00 0.00 N ATOM 935 CA ALA A 64 0.758 -7.349 1.281 1.00 0.00 C ATOM 936 C ALA A 64 1.294 -6.206 2.133 1.00 0.00 C ATOM 937 O ALA A 64 2.192 -6.398 2.954 1.00 0.00 O ATOM 938 CB ALA A 64 1.290 -7.243 -0.141 1.00 0.00 C ATOM 0 H ALA A 64 -1.121 -7.214 0.360 1.00 0.00 H new ATOM 0 HA ALA A 64 1.104 -8.286 1.718 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.380 -7.232 -0.122 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.946 -8.098 -0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.926 -6.323 -0.598 1.00 0.00 H new ATOM 944 N ALA A 65 0.739 -5.015 1.935 1.00 0.00 N ATOM 945 CA ALA A 65 1.147 -3.842 2.698 1.00 0.00 C ATOM 946 C ALA A 65 0.843 -4.016 4.180 1.00 0.00 C ATOM 947 O ALA A 65 1.648 -3.651 5.036 1.00 0.00 O ATOM 948 CB ALA A 65 0.462 -2.595 2.160 1.00 0.00 C ATOM 0 H ALA A 65 0.004 -4.837 1.251 1.00 0.00 H new ATOM 0 HA ALA A 65 2.225 -3.727 2.587 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.777 -1.728 2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.736 -2.451 1.115 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.619 -2.711 2.239 1.00 0.00 H new ATOM 954 N HIS A 66 -0.325 -4.576 4.478 1.00 0.00 N ATOM 955 CA HIS A 66 -0.714 -4.850 5.856 1.00 0.00 C ATOM 956 C HIS A 66 0.281 -5.783 6.534 1.00 0.00 C ATOM 957 O HIS A 66 0.812 -5.470 7.600 1.00 0.00 O ATOM 958 CB HIS A 66 -2.117 -5.465 5.910 1.00 0.00 C ATOM 959 CG HIS A 66 -2.543 -5.871 7.286 1.00 0.00 C ATOM 960 ND1 HIS A 66 -2.890 -4.955 8.258 1.00 0.00 N ATOM 961 CD2 HIS A 66 -2.678 -7.092 7.854 1.00 0.00 C ATOM 962 CE1 HIS A 66 -3.221 -5.597 9.365 1.00 0.00 C ATOM 963 NE2 HIS A 66 -3.100 -6.894 9.146 1.00 0.00 N ATOM 0 H HIS A 66 -1.019 -4.849 3.782 1.00 0.00 H new ATOM 0 HA HIS A 66 -0.719 -3.900 6.391 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.835 -4.746 5.514 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.147 -6.338 5.258 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.489 -8.044 7.380 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.537 -5.139 10.291 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -3.289 -7.630 9.827 1.00 0.00 H new ATOM 970 N ARG A 67 0.530 -6.929 5.911 1.00 0.00 N ATOM 971 CA ARG A 67 1.459 -7.912 6.456 1.00 0.00 C ATOM 972 C ARG A 67 2.869 -7.343 6.550 1.00 0.00 C ATOM 973 O ARG A 67 3.603 -7.630 7.496 1.00 0.00 O ATOM 974 CB ARG A 67 1.478 -9.166 5.594 1.00 0.00 C ATOM 975 CG ARG A 67 0.236 -10.035 5.704 1.00 0.00 C ATOM 976 CD ARG A 67 0.310 -11.215 4.805 1.00 0.00 C ATOM 977 NE ARG A 67 -0.789 -12.140 5.030 1.00 0.00 N ATOM 978 CZ ARG A 67 -0.964 -13.298 4.365 1.00 0.00 C ATOM 979 NH1 ARG A 67 -0.105 -13.660 3.438 1.00 0.00 N1+ ATOM 980 NH2 ARG A 67 -1.999 -14.071 4.644 1.00 0.00 N ATOM 0 H ARG A 67 0.101 -7.201 5.027 1.00 0.00 H new ATOM 0 HA ARG A 67 1.116 -8.167 7.459 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.607 -8.872 4.552 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.348 -9.764 5.867 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.116 -10.369 6.734 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.645 -9.443 5.456 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.297 -10.882 3.767 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.257 -11.732 4.962 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.476 -11.894 5.742 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.694 -13.064 3.222 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.238 -14.537 2.934 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.666 -13.791 5.363 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.131 -14.948 4.140 1.00 0.00 H new ATOM 994 N MET A 68 3.243 -6.535 5.564 1.00 0.00 N ATOM 995 CA MET A 68 4.529 -5.848 5.583 1.00 0.00 C ATOM 996 C MET A 68 4.679 -4.993 6.835 1.00 0.00 C ATOM 997 O MET A 68 5.690 -5.070 7.533 1.00 0.00 O ATOM 998 CB MET A 68 4.687 -4.990 4.329 1.00 0.00 C ATOM 999 CG MET A 68 6.065 -4.365 4.163 1.00 0.00 C ATOM 1000 SD MET A 68 7.324 -5.570 3.696 1.00 0.00 S ATOM 1001 CE MET A 68 8.070 -5.914 5.287 1.00 0.00 C ATOM 0 H MET A 68 2.673 -6.340 4.741 1.00 0.00 H new ATOM 0 HA MET A 68 5.316 -6.602 5.597 1.00 0.00 H new ATOM 0 HB2 MET A 68 4.472 -5.604 3.454 1.00 0.00 H new ATOM 0 HB3 MET A 68 3.941 -4.195 4.351 1.00 0.00 H new ATOM 0 HG2 MET A 68 6.016 -3.584 3.404 1.00 0.00 H new ATOM 0 HG3 MET A 68 6.356 -3.884 5.097 1.00 0.00 H new ATOM 0 HE1 MET A 68 8.715 -6.789 5.205 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.661 -5.055 5.605 1.00 0.00 H new ATOM 0 HE3 MET A 68 7.288 -6.108 6.021 1.00 0.00 H new ATOM 1011 N TRP A 69 3.667 -4.178 7.113 1.00 0.00 N ATOM 1012 CA TRP A 69 3.661 -3.346 8.310 1.00 0.00 C ATOM 1013 C TRP A 69 3.811 -4.190 9.569 1.00 0.00 C ATOM 1014 O TRP A 69 4.556 -3.833 10.482 1.00 0.00 O ATOM 1015 CB TRP A 69 2.367 -2.534 8.388 1.00 0.00 C ATOM 1016 CG TRP A 69 2.281 -1.660 9.603 1.00 0.00 C ATOM 1017 CD1 TRP A 69 2.803 -0.410 9.747 1.00 0.00 C ATOM 1018 CD2 TRP A 69 1.627 -1.969 10.858 1.00 0.00 C ATOM 1019 NE1 TRP A 69 2.524 0.078 10.999 1.00 0.00 N ATOM 1020 CE2 TRP A 69 1.803 -0.862 11.692 1.00 0.00 C ATOM 1021 CE3 TRP A 69 0.917 -3.079 11.332 1.00 0.00 C ATOM 1022 CZ2 TRP A 69 1.297 -0.828 12.982 1.00 0.00 C ATOM 1023 CZ3 TRP A 69 0.409 -3.044 12.625 1.00 0.00 C ATOM 1024 CH2 TRP A 69 0.594 -1.947 13.428 1.00 0.00 C ATOM 0 H TRP A 69 2.840 -4.076 6.525 1.00 0.00 H new ATOM 0 HA TRP A 69 4.511 -2.667 8.245 1.00 0.00 H new ATOM 0 HB2 TRP A 69 2.283 -1.912 7.497 1.00 0.00 H new ATOM 0 HB3 TRP A 69 1.518 -3.217 8.381 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.356 0.120 8.986 1.00 0.00 H new ATOM 0 HE1 TRP A 69 2.806 0.991 11.356 1.00 0.00 H new ATOM 0 HE3 TRP A 69 0.767 -3.945 10.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.442 0.033 13.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.140 -3.894 13.004 1.00 0.00 H new ATOM 0 HH2 TRP A 69 0.186 -1.950 14.428 1.00 0.00 H new ATOM 1035 N MET A 70 3.100 -5.311 9.612 1.00 0.00 N ATOM 1036 CA MET A 70 3.164 -6.216 10.753 1.00 0.00 C ATOM 1037 C MET A 70 4.589 -6.695 10.997 1.00 0.00 C ATOM 1038 O MET A 70 5.090 -6.638 12.120 1.00 0.00 O ATOM 1039 CB MET A 70 2.231 -7.406 10.536 1.00 0.00 C ATOM 1040 CG MET A 70 0.749 -7.061 10.582 1.00 0.00 C ATOM 1041 SD MET A 70 -0.304 -8.458 10.141 1.00 0.00 S ATOM 1042 CE MET A 70 -0.026 -9.545 11.536 1.00 0.00 C ATOM 0 H MET A 70 2.472 -5.615 8.868 1.00 0.00 H new ATOM 0 HA MET A 70 2.839 -5.669 11.638 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.457 -7.857 9.570 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.440 -8.159 11.296 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.491 -6.718 11.584 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.551 -6.233 9.901 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.760 -10.350 11.522 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.977 -9.967 11.474 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.125 -8.980 12.463 1.00 0.00 H new ATOM 1052 N ARG A 71 5.238 -7.168 9.938 1.00 0.00 N ATOM 1053 CA ARG A 71 6.611 -7.648 10.033 1.00 0.00 C ATOM 1054 C ARG A 71 7.555 -6.537 10.474 1.00 0.00 C ATOM 1055 O ARG A 71 8.473 -6.765 11.261 1.00 0.00 O ATOM 1056 CB ARG A 71 7.078 -8.204 8.695 1.00 0.00 C ATOM 1057 CG ARG A 71 6.340 -9.449 8.227 1.00 0.00 C ATOM 1058 CD ARG A 71 6.467 -10.562 9.202 1.00 0.00 C ATOM 1059 NE ARG A 71 5.943 -11.810 8.672 1.00 0.00 N ATOM 1060 CZ ARG A 71 5.745 -12.927 9.399 1.00 0.00 C ATOM 1061 NH1 ARG A 71 6.032 -12.936 10.682 1.00 0.00 N1+ ATOM 1062 NH2 ARG A 71 5.263 -14.014 8.822 1.00 0.00 N ATOM 0 H ARG A 71 4.834 -7.229 9.003 1.00 0.00 H new ATOM 0 HA ARG A 71 6.629 -8.441 10.781 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.969 -7.428 7.937 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.141 -8.434 8.765 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.286 -9.213 8.079 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.735 -9.764 7.261 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.516 -10.693 9.469 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.935 -10.305 10.118 1.00 0.00 H new ATOM 0 HE ARG A 71 5.709 -11.842 7.680 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.405 -12.097 11.127 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.882 -13.782 11.232 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.041 -14.007 7.826 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.113 -14.860 9.372 1.00 0.00 H new ATOM 1076 N LEU A 72 7.323 -5.333 9.962 1.00 0.00 N ATOM 1077 CA LEU A 72 8.143 -4.180 10.313 1.00 0.00 C ATOM 1078 C LEU A 72 8.048 -3.869 11.801 1.00 0.00 C ATOM 1079 O LEU A 72 9.044 -3.524 12.438 1.00 0.00 O ATOM 1080 CB LEU A 72 7.710 -2.954 9.499 1.00 0.00 C ATOM 1081 CG LEU A 72 8.055 -2.992 8.005 1.00 0.00 C ATOM 1082 CD1 LEU A 72 7.353 -1.844 7.292 1.00 0.00 C ATOM 1083 CD2 LEU A 72 9.564 -2.902 7.830 1.00 0.00 C ATOM 0 H LEU A 72 6.573 -5.130 9.302 1.00 0.00 H new ATOM 0 HA LEU A 72 9.179 -4.423 10.078 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.631 -2.836 9.601 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.171 -2.069 9.937 1.00 0.00 H new ATOM 0 HG LEU A 72 7.713 -3.930 7.567 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.598 -1.871 6.230 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.275 -1.942 7.418 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.683 -0.896 7.717 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.809 -2.929 6.768 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.925 -1.969 8.262 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.040 -3.744 8.334 1.00 0.00 H new ATOM 1095 N GLN A 73 6.845 -3.993 12.351 1.00 0.00 N ATOM 1096 CA GLN A 73 6.632 -3.799 13.780 1.00 0.00 C ATOM 1097 C GLN A 73 7.192 -4.966 14.583 1.00 0.00 C ATOM 1098 O GLN A 73 7.676 -4.787 15.701 1.00 0.00 O ATOM 1099 CB GLN A 73 5.140 -3.627 14.081 1.00 0.00 C ATOM 1100 CG GLN A 73 4.533 -2.357 13.508 1.00 0.00 C ATOM 1101 CD GLN A 73 5.208 -1.105 14.034 1.00 0.00 C ATOM 1102 OE1 GLN A 73 5.448 -0.970 15.237 1.00 0.00 O ATOM 1103 NE2 GLN A 73 5.518 -0.179 13.134 1.00 0.00 N ATOM 0 H GLN A 73 6.001 -4.227 11.828 1.00 0.00 H new ATOM 0 HA GLN A 73 7.162 -2.893 14.075 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.599 -4.486 13.684 1.00 0.00 H new ATOM 0 HB3 GLN A 73 4.996 -3.630 15.161 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.611 -2.379 12.421 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.471 -2.323 13.751 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.301 -0.332 12.149 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.973 0.685 13.428 1.00 0.00 H new ATOM 1112 N GLU A 74 7.124 -6.161 14.008 1.00 0.00 N ATOM 1113 CA GLU A 74 7.653 -7.355 14.656 1.00 0.00 C ATOM 1114 C GLU A 74 9.154 -7.238 14.886 1.00 0.00 C ATOM 1115 O GLU A 74 9.523 -7.284 15.815 1.00 0.00 O ATOM 1116 CB GLU A 74 7.353 -8.597 13.814 1.00 0.00 C ATOM 1117 CG GLU A 74 7.777 -9.910 14.456 1.00 0.00 C ATOM 1118 CD GLU A 74 7.437 -11.109 13.616 1.00 0.00 C ATOM 1119 OE1 GLU A 74 6.872 -10.933 12.563 1.00 0.00 O ATOM 1120 OE2 GLU A 74 7.742 -12.204 14.028 1.00 0.00 O1- ATOM 1121 OXT GLU A 74 9.895 -7.089 13.954 1.00 0.00 O1- ATOM 0 H GLU A 74 6.707 -6.329 13.092 1.00 0.00 H new ATOM 0 HA GLU A 74 7.163 -7.452 15.625 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.282 -8.634 13.613 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.855 -8.498 12.852 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.852 -9.891 14.634 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.294 -10.005 15.429 1.00 0.00 H new TER 1128 GLU A 74