USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 455 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 45 HIS : no HE2:sc= -1.87 K(o=-1.3,f=-2) USER MOD Set 1.2: A 47 SER OG : rot 130:sc= 0.575 USER MOD Set 2.1: A 28 TYR OH : rot 180:sc= -1.01 USER MOD Set 2.2: A 48 HIS : no HE2:sc= -6.56! C(o=-14!,f=-16!) USER MOD Set 2.3: A 58 HIS : no HD1:sc= -6.63! C(o=-14!,f=-16!) USER MOD Single : A 6 ASN : amide:sc= -2.14 K(o=-2.1,f=-4.1!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -7.03! C(o=-7!,f=-10!) USER MOD Single : A 40 HIS : no HE2:sc= -8.87! C(o=-8.9!,f=-9.1!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -51:sc= 0.123 USER MOD Single : A 55 SER OG : rot 58:sc= 1.22 USER MOD Single : A 60 THR OG1 : rot 130:sc= -0.868 USER MOD Single : A 61 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.421) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0447 USER MOD Single : A 70 THR OG1 : rot -110:sc= -1.87! USER MOD Single : A 74 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.09) USER MOD Single : A 75 GLN : amide:sc= -0.228 K(o=-0.23,f=-1.3!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N VAL A 5 -0.096 8.338 -9.439 1.00 0.00 N ATOM 22 CA VAL A 5 1.259 8.600 -8.964 1.00 0.00 C ATOM 23 C VAL A 5 1.920 7.310 -8.487 1.00 0.00 C ATOM 24 O VAL A 5 2.744 6.731 -9.195 1.00 0.00 O ATOM 25 CB VAL A 5 1.266 9.635 -7.820 1.00 0.00 C ATOM 26 CG1 VAL A 5 1.409 11.041 -8.380 1.00 0.00 C ATOM 27 CG2 VAL A 5 0.004 9.517 -6.973 1.00 0.00 C ATOM 0 HA VAL A 5 1.824 9.007 -9.803 1.00 0.00 H new ATOM 0 HB VAL A 5 2.122 9.430 -7.177 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.412 11.760 -7.561 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.344 11.118 -8.935 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.573 11.254 -9.046 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.032 10.257 -6.173 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.872 9.692 -7.598 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.052 8.518 -6.541 1.00 0.00 H new ATOM 31 N ASN A 6 1.538 6.853 -7.298 1.00 0.00 N ATOM 32 CA ASN A 6 2.073 5.616 -6.740 1.00 0.00 C ATOM 33 C ASN A 6 1.641 5.406 -5.294 1.00 0.00 C ATOM 34 O ASN A 6 1.973 6.186 -4.402 1.00 0.00 O ATOM 35 CB ASN A 6 3.596 5.565 -6.826 1.00 0.00 C ATOM 36 CG ASN A 6 4.254 6.797 -6.237 1.00 0.00 C ATOM 37 OD1 ASN A 6 4.338 7.840 -6.886 1.00 0.00 O ATOM 38 ND2 ASN A 6 4.726 6.683 -5.001 1.00 0.00 N ATOM 0 H ASN A 6 0.858 7.323 -6.701 1.00 0.00 H new ATOM 0 HA ASN A 6 1.659 4.811 -7.347 1.00 0.00 H new ATOM 0 HB2 ASN A 6 3.956 4.680 -6.302 1.00 0.00 H new ATOM 0 HB3 ASN A 6 3.894 5.462 -7.869 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.180 7.479 -4.553 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.635 5.799 -4.500 1.00 0.00 H new ATOM 43 N GLU A 7 0.923 4.314 -5.086 1.00 0.00 N ATOM 44 CA GLU A 7 0.440 3.906 -3.781 1.00 0.00 C ATOM 45 C GLU A 7 0.463 2.385 -3.746 1.00 0.00 C ATOM 46 O GLU A 7 1.232 1.770 -4.486 1.00 0.00 O ATOM 47 CB GLU A 7 -0.977 4.437 -3.522 1.00 0.00 C ATOM 48 CG GLU A 7 -1.128 5.930 -3.775 1.00 0.00 C ATOM 49 CD GLU A 7 -1.990 6.233 -4.985 1.00 0.00 C ATOM 50 OE1 GLU A 7 -2.920 5.448 -5.262 1.00 0.00 O ATOM 51 OE2 GLU A 7 -1.737 7.257 -5.653 1.00 0.00 O ATOM 0 H GLU A 7 0.656 3.676 -5.835 1.00 0.00 H new ATOM 0 HA GLU A 7 1.076 4.318 -2.997 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -1.679 3.897 -4.157 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.252 4.223 -2.489 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.565 6.401 -2.895 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -0.142 6.372 -3.916 1.00 0.00 H new ATOM 58 N TRP A 8 -0.358 1.765 -2.915 1.00 0.00 N ATOM 59 CA TRP A 8 -0.365 0.317 -2.860 1.00 0.00 C ATOM 60 C TRP A 8 -1.729 -0.238 -2.463 1.00 0.00 C ATOM 61 O TRP A 8 -2.489 0.411 -1.753 1.00 0.00 O ATOM 62 CB TRP A 8 0.702 -0.159 -1.889 1.00 0.00 C ATOM 63 CG TRP A 8 0.650 -1.625 -1.654 1.00 0.00 C ATOM 64 CD1 TRP A 8 1.125 -2.602 -2.471 1.00 0.00 C ATOM 65 CD2 TRP A 8 0.068 -2.277 -0.532 1.00 0.00 C ATOM 66 NE1 TRP A 8 0.877 -3.830 -1.919 1.00 0.00 N ATOM 67 CE2 TRP A 8 0.235 -3.656 -0.719 1.00 0.00 C ATOM 68 CE3 TRP A 8 -0.571 -1.821 0.619 1.00 0.00 C ATOM 69 CZ2 TRP A 8 -0.218 -4.590 0.210 1.00 0.00 C ATOM 70 CZ3 TRP A 8 -1.021 -2.750 1.538 1.00 0.00 C ATOM 71 CH2 TRP A 8 -0.840 -4.118 1.329 1.00 0.00 C ATOM 0 H TRP A 8 -1.012 2.229 -2.285 1.00 0.00 H new ATOM 0 HA TRP A 8 -0.148 -0.057 -3.860 1.00 0.00 H new ATOM 0 HB2 TRP A 8 1.685 0.108 -2.276 1.00 0.00 H new ATOM 0 HB3 TRP A 8 0.581 0.362 -0.939 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.623 -2.435 -3.414 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.129 -4.728 -2.332 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.712 -0.764 0.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.082 -5.649 0.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.521 -2.412 2.433 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.200 -4.818 2.069 1.00 0.00 H new ATOM 82 N ALA A 9 -2.013 -1.457 -2.925 1.00 0.00 N ATOM 83 CA ALA A 9 -3.270 -2.134 -2.619 1.00 0.00 C ATOM 84 C ALA A 9 -3.081 -3.646 -2.612 1.00 0.00 C ATOM 85 O ALA A 9 -2.347 -4.191 -3.440 1.00 0.00 O ATOM 86 CB ALA A 9 -4.350 -1.755 -3.619 1.00 0.00 C ATOM 0 H ALA A 9 -1.382 -1.997 -3.517 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.586 -1.813 -1.626 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.276 -2.273 -3.368 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.516 -0.678 -3.585 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.034 -2.042 -4.622 1.00 0.00 H new ATOM 92 N ALA A 10 -3.735 -4.323 -1.673 1.00 0.00 N ATOM 93 CA ALA A 10 -3.617 -5.774 -1.579 1.00 0.00 C ATOM 94 C ALA A 10 -4.858 -6.435 -0.995 1.00 0.00 C ATOM 95 O ALA A 10 -5.837 -5.778 -0.651 1.00 0.00 O ATOM 96 CB ALA A 10 -2.414 -6.146 -0.739 1.00 0.00 C ATOM 0 H ALA A 10 -4.345 -3.897 -0.975 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.499 -6.141 -2.599 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.336 -7.231 -0.676 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.511 -5.743 -1.198 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.527 -5.731 0.263 1.00 0.00 H new ATOM 102 N GLU A 11 -4.771 -7.754 -0.871 1.00 0.00 N ATOM 103 CA GLU A 11 -5.836 -8.574 -0.309 1.00 0.00 C ATOM 104 C GLU A 11 -5.214 -9.620 0.598 1.00 0.00 C ATOM 105 O GLU A 11 -4.423 -10.451 0.145 1.00 0.00 O ATOM 106 CB GLU A 11 -6.619 -9.257 -1.417 1.00 0.00 C ATOM 107 CG GLU A 11 -8.124 -9.087 -1.302 1.00 0.00 C ATOM 108 CD GLU A 11 -8.886 -10.287 -1.830 1.00 0.00 C ATOM 109 OE1 GLU A 11 -8.979 -11.296 -1.100 1.00 0.00 O ATOM 110 OE2 GLU A 11 -9.389 -10.217 -2.970 1.00 0.00 O ATOM 0 H GLU A 11 -3.952 -8.289 -1.160 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.521 -7.943 0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.291 -8.861 -2.378 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.382 -10.321 -1.413 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.389 -8.923 -0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.429 -8.196 -1.852 1.00 0.00 H new ATOM 117 N ILE A 12 -5.542 -9.562 1.877 1.00 0.00 N ATOM 118 CA ILE A 12 -4.978 -10.502 2.835 1.00 0.00 C ATOM 119 C ILE A 12 -5.944 -10.756 3.999 1.00 0.00 C ATOM 120 O ILE A 12 -6.357 -9.828 4.693 1.00 0.00 O ATOM 121 CB ILE A 12 -3.582 -10.013 3.332 1.00 0.00 C ATOM 122 CG1 ILE A 12 -3.586 -9.596 4.807 1.00 0.00 C ATOM 123 CG2 ILE A 12 -3.076 -8.861 2.469 1.00 0.00 C ATOM 124 CD1 ILE A 12 -4.352 -8.317 5.073 1.00 0.00 C ATOM 0 H ILE A 12 -6.189 -8.882 2.275 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.830 -11.457 2.330 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.907 -10.864 3.239 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.020 -10.400 5.402 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.557 -9.470 5.143 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.101 -8.535 2.832 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.985 -9.194 1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.780 -8.030 2.522 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.312 -8.084 6.137 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.905 -7.501 4.505 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.391 -8.445 4.768 1.00 0.00 H new ATOM 128 N PRO A 13 -6.342 -12.026 4.210 1.00 0.00 N ATOM 129 CA PRO A 13 -7.281 -12.404 5.274 1.00 0.00 C ATOM 130 C PRO A 13 -6.957 -11.773 6.626 1.00 0.00 C ATOM 131 O PRO A 13 -7.860 -11.458 7.400 1.00 0.00 O ATOM 132 CB PRO A 13 -7.127 -13.921 5.346 1.00 0.00 C ATOM 133 CG PRO A 13 -6.762 -14.321 3.960 1.00 0.00 C ATOM 134 CD PRO A 13 -5.927 -13.196 3.410 1.00 0.00 C ATOM 0 HA PRO A 13 -8.292 -12.061 5.053 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.355 -14.209 6.059 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.052 -14.400 5.667 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.205 -15.258 3.958 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.653 -14.479 3.352 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.862 -13.398 3.520 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.114 -13.041 2.347 1.00 0.00 H new ATOM 142 N GLY A 14 -5.671 -11.600 6.914 1.00 0.00 N ATOM 143 CA GLY A 14 -5.273 -11.020 8.172 1.00 0.00 C ATOM 144 C GLY A 14 -4.613 -9.673 8.008 1.00 0.00 C ATOM 145 O GLY A 14 -5.298 -8.652 7.965 1.00 0.00 O ATOM 0 H GLY A 14 -4.901 -11.853 6.295 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.149 -10.916 8.813 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.586 -11.698 8.679 1.00 0.00 H new ATOM 149 N GLY A 15 -3.278 -9.663 7.941 1.00 0.00 N ATOM 150 CA GLY A 15 -2.549 -8.413 7.810 1.00 0.00 C ATOM 151 C GLY A 15 -3.132 -7.337 8.701 1.00 0.00 C ATOM 152 O GLY A 15 -3.031 -6.151 8.413 1.00 0.00 O ATOM 0 H GLY A 15 -2.693 -10.498 7.975 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.502 -8.572 8.067 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.576 -8.082 6.772 1.00 0.00 H new ATOM 156 N GLN A 16 -3.759 -7.768 9.784 1.00 0.00 N ATOM 157 CA GLN A 16 -4.382 -6.861 10.722 1.00 0.00 C ATOM 158 C GLN A 16 -3.333 -5.985 11.394 1.00 0.00 C ATOM 159 O GLN A 16 -3.352 -4.761 11.256 1.00 0.00 O ATOM 160 CB GLN A 16 -5.167 -7.680 11.745 1.00 0.00 C ATOM 161 CG GLN A 16 -6.532 -8.119 11.240 1.00 0.00 C ATOM 162 CD GLN A 16 -7.418 -8.657 12.347 1.00 0.00 C ATOM 163 OE1 GLN A 16 -7.242 -9.785 12.806 1.00 0.00 O ATOM 164 NE2 GLN A 16 -8.378 -7.849 12.781 1.00 0.00 N ATOM 0 H GLN A 16 -3.848 -8.753 10.033 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.068 -6.195 10.199 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.587 -8.562 12.017 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.295 -7.090 12.652 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.027 -7.274 10.762 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.403 -8.887 10.477 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.488 -6.921 12.371 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.006 -8.156 13.524 1.00 0.00 H new ATOM 171 N GLU A 17 -2.403 -6.618 12.097 1.00 0.00 N ATOM 172 CA GLU A 17 -1.329 -5.893 12.763 1.00 0.00 C ATOM 173 C GLU A 17 -0.226 -5.540 11.766 1.00 0.00 C ATOM 174 O GLU A 17 0.575 -4.635 12.006 1.00 0.00 O ATOM 175 CB GLU A 17 -0.753 -6.729 13.906 1.00 0.00 C ATOM 176 CG GLU A 17 -1.776 -7.099 14.967 1.00 0.00 C ATOM 177 CD GLU A 17 -1.138 -7.667 16.219 1.00 0.00 C ATOM 178 OE1 GLU A 17 -0.567 -8.775 16.145 1.00 0.00 O ATOM 179 OE2 GLU A 17 -1.208 -7.003 17.275 1.00 0.00 O ATOM 0 H GLU A 17 -2.371 -7.630 12.221 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.739 -4.970 13.174 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.322 -7.642 13.495 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.060 -6.176 14.375 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.358 -6.215 15.229 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.473 -7.829 14.556 1.00 0.00 H new ATOM 186 N ALA A 18 -0.191 -6.265 10.649 1.00 0.00 N ATOM 187 CA ALA A 18 0.810 -6.039 9.612 1.00 0.00 C ATOM 188 C ALA A 18 0.427 -4.869 8.712 1.00 0.00 C ATOM 189 O ALA A 18 1.220 -3.953 8.505 1.00 0.00 O ATOM 190 CB ALA A 18 1.003 -7.301 8.784 1.00 0.00 C ATOM 0 H ALA A 18 -0.848 -7.017 10.440 1.00 0.00 H new ATOM 0 HA ALA A 18 1.750 -5.787 10.103 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.752 -7.120 8.014 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.336 -8.113 9.430 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.059 -7.576 8.314 1.00 0.00 H new ATOM 196 N ALA A 19 -0.796 -4.902 8.189 1.00 0.00 N ATOM 197 CA ALA A 19 -1.287 -3.843 7.319 1.00 0.00 C ATOM 198 C ALA A 19 -1.166 -2.499 8.008 1.00 0.00 C ATOM 199 O ALA A 19 -0.441 -1.621 7.550 1.00 0.00 O ATOM 200 CB ALA A 19 -2.729 -4.117 6.916 1.00 0.00 C ATOM 0 H ALA A 19 -1.465 -5.654 8.355 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.678 -3.820 6.415 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.083 -3.317 6.266 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.784 -5.068 6.385 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.354 -4.163 7.808 1.00 0.00 H new ATOM 206 N SER A 20 -1.856 -2.358 9.126 1.00 0.00 N ATOM 207 CA SER A 20 -1.822 -1.121 9.890 1.00 0.00 C ATOM 208 C SER A 20 -0.391 -0.750 10.255 1.00 0.00 C ATOM 209 O SER A 20 -0.081 0.418 10.499 1.00 0.00 O ATOM 210 CB SER A 20 -2.670 -1.254 11.157 1.00 0.00 C ATOM 211 OG SER A 20 -3.952 -0.678 10.975 1.00 0.00 O ATOM 0 H SER A 20 -2.448 -3.086 9.527 1.00 0.00 H new ATOM 0 HA SER A 20 -2.237 -0.327 9.269 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.775 -2.307 11.420 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.164 -0.767 11.990 1.00 0.00 H new ATOM 0 HG SER A 20 -4.475 -0.777 11.798 1.00 0.00 H new ATOM 217 N ALA A 21 0.472 -1.755 10.301 1.00 0.00 N ATOM 218 CA ALA A 21 1.861 -1.545 10.650 1.00 0.00 C ATOM 219 C ALA A 21 2.669 -0.969 9.491 1.00 0.00 C ATOM 220 O ALA A 21 3.675 -0.291 9.707 1.00 0.00 O ATOM 221 CB ALA A 21 2.485 -2.844 11.121 1.00 0.00 C ATOM 0 H ALA A 21 0.229 -2.725 10.100 1.00 0.00 H new ATOM 0 HA ALA A 21 1.883 -0.814 11.458 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.530 -2.673 11.380 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.949 -3.209 11.997 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.426 -3.586 10.325 1.00 0.00 H new ATOM 227 N ILE A 22 2.244 -1.248 8.263 1.00 0.00 N ATOM 228 CA ILE A 22 2.959 -0.757 7.093 1.00 0.00 C ATOM 229 C ILE A 22 2.717 0.733 6.878 1.00 0.00 C ATOM 230 O ILE A 22 3.660 1.521 6.860 1.00 0.00 O ATOM 231 CB ILE A 22 2.588 -1.523 5.802 1.00 0.00 C ATOM 232 CG1 ILE A 22 1.952 -2.885 6.118 1.00 0.00 C ATOM 233 CG2 ILE A 22 3.828 -1.699 4.940 1.00 0.00 C ATOM 234 CD1 ILE A 22 1.846 -3.812 4.923 1.00 0.00 C ATOM 0 H ILE A 22 1.416 -1.806 8.054 1.00 0.00 H new ATOM 0 HA ILE A 22 4.016 -0.929 7.298 1.00 0.00 H new ATOM 0 HB ILE A 22 1.848 -0.938 5.256 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.539 -3.376 6.894 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.955 -2.722 6.527 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.565 -2.239 4.030 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.231 -0.721 4.678 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.578 -2.264 5.493 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.387 -4.751 5.231 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.233 -3.344 4.153 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.842 -4.008 4.525 1.00 0.00 H new ATOM 238 N ALA A 23 1.453 1.121 6.720 1.00 0.00 N ATOM 239 CA ALA A 23 1.116 2.527 6.512 1.00 0.00 C ATOM 240 C ALA A 23 1.765 3.397 7.579 1.00 0.00 C ATOM 241 O ALA A 23 2.128 4.547 7.329 1.00 0.00 O ATOM 242 CB ALA A 23 -0.393 2.722 6.515 1.00 0.00 C ATOM 0 H ALA A 23 0.653 0.489 6.732 1.00 0.00 H new ATOM 0 HA ALA A 23 1.501 2.830 5.538 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.624 3.776 6.359 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.838 2.130 5.715 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.800 2.400 7.474 1.00 0.00 H new ATOM 248 N GLU A 24 1.910 2.832 8.771 1.00 0.00 N ATOM 249 CA GLU A 24 2.517 3.537 9.888 1.00 0.00 C ATOM 250 C GLU A 24 4.040 3.522 9.788 1.00 0.00 C ATOM 251 O GLU A 24 4.713 4.437 10.262 1.00 0.00 O ATOM 252 CB GLU A 24 2.086 2.898 11.207 1.00 0.00 C ATOM 253 CG GLU A 24 0.610 3.079 11.519 1.00 0.00 C ATOM 254 CD GLU A 24 0.206 2.418 12.822 1.00 0.00 C ATOM 255 OE1 GLU A 24 0.554 2.956 13.894 1.00 0.00 O ATOM 256 OE2 GLU A 24 -0.460 1.362 12.771 1.00 0.00 O ATOM 0 H GLU A 24 1.613 1.881 8.988 1.00 0.00 H new ATOM 0 HA GLU A 24 2.179 4.573 9.855 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.314 1.833 11.176 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.675 3.327 12.018 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.381 4.143 11.569 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.016 2.663 10.705 1.00 0.00 H new ATOM 263 N GLU A 25 4.578 2.469 9.180 1.00 0.00 N ATOM 264 CA GLU A 25 6.023 2.326 9.032 1.00 0.00 C ATOM 265 C GLU A 25 6.573 3.277 7.970 1.00 0.00 C ATOM 266 O GLU A 25 7.116 4.333 8.292 1.00 0.00 O ATOM 267 CB GLU A 25 6.378 0.878 8.678 1.00 0.00 C ATOM 268 CG GLU A 25 7.160 0.162 9.766 1.00 0.00 C ATOM 269 CD GLU A 25 6.308 -0.172 10.974 1.00 0.00 C ATOM 270 OE1 GLU A 25 5.553 0.714 11.431 1.00 0.00 O ATOM 271 OE2 GLU A 25 6.394 -1.317 11.464 1.00 0.00 O ATOM 0 H GLU A 25 4.036 1.702 8.782 1.00 0.00 H new ATOM 0 HA GLU A 25 6.483 2.586 9.985 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.460 0.326 8.478 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.961 0.870 7.757 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.583 -0.757 9.359 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.997 0.787 10.078 1.00 0.00 H new ATOM 278 N LEU A 26 6.435 2.891 6.705 1.00 0.00 N ATOM 279 CA LEU A 26 6.926 3.704 5.596 1.00 0.00 C ATOM 280 C LEU A 26 6.364 5.118 5.660 1.00 0.00 C ATOM 281 O LEU A 26 7.109 6.086 5.812 1.00 0.00 O ATOM 282 CB LEU A 26 6.567 3.060 4.252 1.00 0.00 C ATOM 283 CG LEU A 26 5.445 2.017 4.297 1.00 0.00 C ATOM 284 CD1 LEU A 26 4.518 2.169 3.109 1.00 0.00 C ATOM 285 CD2 LEU A 26 6.027 0.614 4.345 1.00 0.00 C ATOM 0 H LEU A 26 5.987 2.020 6.422 1.00 0.00 H new ATOM 0 HA LEU A 26 8.011 3.760 5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.278 3.849 3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.461 2.588 3.845 1.00 0.00 H new ATOM 0 HG LEU A 26 4.862 2.182 5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.730 1.418 3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.072 3.164 3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.083 2.035 2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.217 -0.115 4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.636 0.442 3.457 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.646 0.507 5.236 1.00 0.00 H new ATOM 291 N GLY A 27 5.047 5.231 5.549 1.00 0.00 N ATOM 292 CA GLY A 27 4.417 6.540 5.604 1.00 0.00 C ATOM 293 C GLY A 27 3.237 6.681 4.659 1.00 0.00 C ATOM 294 O GLY A 27 3.336 7.341 3.623 1.00 0.00 O ATOM 0 H GLY A 27 4.406 4.448 5.423 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.082 6.731 6.623 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.158 7.302 5.364 1.00 0.00 H new ATOM 298 N TYR A 28 2.112 6.078 5.027 1.00 0.00 N ATOM 299 CA TYR A 28 0.894 6.151 4.226 1.00 0.00 C ATOM 300 C TYR A 28 -0.333 6.051 5.128 1.00 0.00 C ATOM 301 O TYR A 28 -0.211 5.961 6.350 1.00 0.00 O ATOM 302 CB TYR A 28 0.845 5.020 3.190 1.00 0.00 C ATOM 303 CG TYR A 28 1.754 5.203 1.997 1.00 0.00 C ATOM 304 CD1 TYR A 28 3.081 4.810 2.050 1.00 0.00 C ATOM 305 CD2 TYR A 28 1.276 5.750 0.812 1.00 0.00 C ATOM 306 CE1 TYR A 28 3.912 4.956 0.959 1.00 0.00 C ATOM 307 CE2 TYR A 28 2.099 5.900 -0.286 1.00 0.00 C ATOM 308 CZ TYR A 28 3.415 5.502 -0.211 1.00 0.00 C ATOM 309 OH TYR A 28 4.235 5.655 -1.308 1.00 0.00 O ATOM 0 H TYR A 28 2.018 5.529 5.881 1.00 0.00 H new ATOM 0 HA TYR A 28 0.896 7.108 3.704 1.00 0.00 H new ATOM 0 HB2 TYR A 28 1.104 4.084 3.685 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.180 4.919 2.834 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.472 4.382 2.961 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.244 6.063 0.749 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.945 4.646 1.018 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.713 6.327 -1.199 1.00 0.00 H new ATOM 0 HH TYR A 28 3.725 6.053 -2.044 1.00 0.00 H new ATOM 319 N ASP A 29 -1.513 6.038 4.518 1.00 0.00 N ATOM 320 CA ASP A 29 -2.762 5.913 5.263 1.00 0.00 C ATOM 321 C ASP A 29 -3.328 4.515 5.057 1.00 0.00 C ATOM 322 O ASP A 29 -3.498 4.079 3.927 1.00 0.00 O ATOM 323 CB ASP A 29 -3.775 6.964 4.803 1.00 0.00 C ATOM 324 CG ASP A 29 -3.429 8.355 5.295 1.00 0.00 C ATOM 325 OD1 ASP A 29 -3.147 8.506 6.502 1.00 0.00 O ATOM 326 OD2 ASP A 29 -3.440 9.296 4.473 1.00 0.00 O ATOM 0 H ASP A 29 -1.632 6.113 3.508 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.563 6.076 6.322 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.821 6.968 3.714 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.767 6.691 5.163 1.00 0.00 H new ATOM 331 N LEU A 30 -3.593 3.804 6.142 1.00 0.00 N ATOM 332 CA LEU A 30 -4.100 2.440 6.039 1.00 0.00 C ATOM 333 C LEU A 30 -5.608 2.390 5.925 1.00 0.00 C ATOM 334 O LEU A 30 -6.318 2.924 6.774 1.00 0.00 O ATOM 335 CB LEU A 30 -3.694 1.634 7.262 1.00 0.00 C ATOM 336 CG LEU A 30 -3.465 0.148 7.012 1.00 0.00 C ATOM 337 CD1 LEU A 30 -4.435 -0.421 6.004 1.00 0.00 C ATOM 338 CD2 LEU A 30 -2.071 -0.074 6.513 1.00 0.00 C ATOM 0 H LEU A 30 -3.468 4.142 7.096 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.667 2.019 5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.780 2.062 7.673 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.467 1.743 8.023 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.622 -0.363 7.962 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.230 -1.482 5.861 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.454 -0.294 6.368 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.321 0.102 5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.913 -1.138 6.336 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.926 0.474 5.582 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.357 0.280 7.257 1.00 0.00 H new ATOM 344 N LEU A 31 -6.096 1.711 4.890 1.00 0.00 N ATOM 345 CA LEU A 31 -7.523 1.568 4.705 1.00 0.00 C ATOM 346 C LEU A 31 -7.871 0.252 4.043 1.00 0.00 C ATOM 347 O LEU A 31 -7.858 0.130 2.824 1.00 0.00 O ATOM 348 CB LEU A 31 -8.117 2.722 3.886 1.00 0.00 C ATOM 349 CG LEU A 31 -7.966 4.134 4.467 1.00 0.00 C ATOM 350 CD1 LEU A 31 -8.440 4.188 5.913 1.00 0.00 C ATOM 351 CD2 LEU A 31 -6.526 4.616 4.348 1.00 0.00 C ATOM 0 H LEU A 31 -5.524 1.258 4.177 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.961 1.590 5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.656 2.710 2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.180 2.525 3.744 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.598 4.805 3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.321 5.201 6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.491 3.903 5.962 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.848 3.499 6.516 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.442 5.619 4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.869 3.939 4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.234 4.635 3.298 1.00 0.00 H new ATOM 357 N GLY A 32 -8.201 -0.725 4.864 1.00 0.00 N ATOM 358 CA GLY A 32 -8.572 -2.030 4.357 1.00 0.00 C ATOM 359 C GLY A 32 -9.984 -2.426 4.736 1.00 0.00 C ATOM 360 O GLY A 32 -10.187 -3.341 5.533 1.00 0.00 O ATOM 0 H GLY A 32 -8.220 -0.641 5.880 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.477 -2.033 3.271 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.875 -2.775 4.740 1.00 0.00 H new ATOM 364 N GLN A 33 -10.961 -1.737 4.161 1.00 0.00 N ATOM 365 CA GLN A 33 -12.360 -2.027 4.442 1.00 0.00 C ATOM 366 C GLN A 33 -13.238 -1.693 3.242 1.00 0.00 C ATOM 367 O GLN A 33 -13.787 -0.595 3.147 1.00 0.00 O ATOM 368 CB GLN A 33 -12.829 -1.246 5.669 1.00 0.00 C ATOM 369 CG GLN A 33 -12.439 0.224 5.642 1.00 0.00 C ATOM 370 CD GLN A 33 -13.012 0.999 6.812 1.00 0.00 C ATOM 371 OE1 GLN A 33 -13.491 0.416 7.784 1.00 0.00 O ATOM 372 NE2 GLN A 33 -12.964 2.324 6.724 1.00 0.00 N ATOM 0 H GLN A 33 -10.811 -0.976 3.499 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.449 -3.094 4.646 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -13.913 -1.324 5.746 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.412 -1.707 6.564 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.352 0.308 5.652 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.785 0.671 4.710 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.558 2.766 5.899 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.333 2.899 7.481 1.00 0.00 H new ATOM 379 N ILE A 34 -13.377 -2.652 2.334 1.00 0.00 N ATOM 380 CA ILE A 34 -14.205 -2.461 1.148 1.00 0.00 C ATOM 381 C ILE A 34 -15.605 -2.969 1.415 1.00 0.00 C ATOM 382 O ILE A 34 -16.595 -2.394 0.963 1.00 0.00 O ATOM 383 CB ILE A 34 -13.640 -3.168 -0.113 1.00 0.00 C ATOM 384 CG1 ILE A 34 -12.354 -3.936 0.197 1.00 0.00 C ATOM 385 CG2 ILE A 34 -13.394 -2.157 -1.221 1.00 0.00 C ATOM 386 CD1 ILE A 34 -11.245 -3.054 0.710 1.00 0.00 C ATOM 0 H ILE A 34 -12.929 -3.566 2.395 1.00 0.00 H new ATOM 0 HA ILE A 34 -14.212 -1.391 0.943 1.00 0.00 H new ATOM 0 HB ILE A 34 -14.385 -3.890 -0.447 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -12.568 -4.707 0.937 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -12.016 -4.446 -0.705 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -12.998 -2.668 -2.098 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -14.332 -1.665 -1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -12.676 -1.411 -0.880 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.361 -3.660 0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.005 -2.299 -0.039 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -11.565 -2.564 1.630 1.00 0.00 H new ATOM 390 N GLY A 35 -15.667 -4.052 2.162 1.00 0.00 N ATOM 391 CA GLY A 35 -16.948 -4.645 2.508 1.00 0.00 C ATOM 392 C GLY A 35 -17.464 -5.578 1.434 1.00 0.00 C ATOM 393 O GLY A 35 -18.353 -5.221 0.660 1.00 0.00 O ATOM 0 H GLY A 35 -14.854 -4.538 2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -16.850 -5.194 3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -17.677 -3.853 2.678 1.00 0.00 H new ATOM 397 N SER A 36 -16.900 -6.777 1.388 1.00 0.00 N ATOM 398 CA SER A 36 -17.291 -7.784 0.408 1.00 0.00 C ATOM 399 C SER A 36 -16.324 -8.956 0.461 1.00 0.00 C ATOM 400 O SER A 36 -16.715 -10.113 0.309 1.00 0.00 O ATOM 401 CB SER A 36 -17.310 -7.187 -1.002 1.00 0.00 C ATOM 402 OG SER A 36 -17.334 -8.206 -1.987 1.00 0.00 O ATOM 0 H SER A 36 -16.163 -7.079 2.025 1.00 0.00 H new ATOM 0 HA SER A 36 -18.295 -8.132 0.649 1.00 0.00 H new ATOM 0 HB2 SER A 36 -18.184 -6.545 -1.117 1.00 0.00 H new ATOM 0 HB3 SER A 36 -16.431 -6.558 -1.146 1.00 0.00 H new ATOM 0 HG SER A 36 -17.347 -7.799 -2.878 1.00 0.00 H new ATOM 408 N LEU A 37 -15.055 -8.638 0.685 1.00 0.00 N ATOM 409 CA LEU A 37 -14.011 -9.650 0.770 1.00 0.00 C ATOM 410 C LEU A 37 -13.356 -9.660 2.147 1.00 0.00 C ATOM 411 O LEU A 37 -12.693 -10.627 2.521 1.00 0.00 O ATOM 412 CB LEU A 37 -12.951 -9.407 -0.302 1.00 0.00 C ATOM 413 CG LEU A 37 -12.584 -7.939 -0.546 1.00 0.00 C ATOM 414 CD1 LEU A 37 -12.304 -7.210 0.762 1.00 0.00 C ATOM 415 CD2 LEU A 37 -11.374 -7.851 -1.453 1.00 0.00 C ATOM 0 H LEU A 37 -14.723 -7.682 0.812 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.477 -10.621 0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.047 -9.948 -0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.303 -9.836 -1.240 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.435 -7.457 -1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.047 -6.172 0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.191 -7.243 1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.473 -7.692 1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.120 -6.804 -1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.530 -8.358 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.599 -8.327 -2.407 1.00 0.00 H new ATOM 421 N GLU A 38 -13.558 -8.580 2.893 1.00 0.00 N ATOM 422 CA GLU A 38 -13.004 -8.438 4.236 1.00 0.00 C ATOM 423 C GLU A 38 -11.619 -9.053 4.355 1.00 0.00 C ATOM 424 O GLU A 38 -11.470 -10.186 4.812 1.00 0.00 O ATOM 425 CB GLU A 38 -13.938 -9.079 5.236 1.00 0.00 C ATOM 426 CG GLU A 38 -14.411 -10.449 4.799 1.00 0.00 C ATOM 427 CD GLU A 38 -15.251 -11.148 5.849 1.00 0.00 C ATOM 428 OE1 GLU A 38 -14.975 -10.960 7.053 1.00 0.00 O ATOM 429 OE2 GLU A 38 -16.186 -11.884 5.469 1.00 0.00 O ATOM 0 H GLU A 38 -14.109 -7.779 2.585 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.904 -7.372 4.443 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.432 -9.164 6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -14.802 -8.432 5.387 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.993 -10.351 3.882 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.545 -11.068 4.563 1.00 0.00 H new ATOM 436 N ASN A 39 -10.614 -8.290 3.948 1.00 0.00 N ATOM 437 CA ASN A 39 -9.223 -8.746 4.005 1.00 0.00 C ATOM 438 C ASN A 39 -8.286 -7.771 3.300 1.00 0.00 C ATOM 439 O ASN A 39 -7.107 -7.673 3.633 1.00 0.00 O ATOM 440 CB ASN A 39 -9.100 -10.152 3.399 1.00 0.00 C ATOM 441 CG ASN A 39 -9.017 -10.141 1.886 1.00 0.00 C ATOM 442 OD1 ASN A 39 -7.981 -10.467 1.306 1.00 0.00 O ATOM 443 ND2 ASN A 39 -10.112 -9.765 1.239 1.00 0.00 N ATOM 0 H ASN A 39 -10.732 -7.349 3.573 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.925 -8.787 5.053 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.212 -10.639 3.802 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.958 -10.750 3.706 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.118 -9.738 0.219 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.948 -9.503 1.761 1.00 0.00 H new ATOM 448 N HIS A 40 -8.827 -7.062 2.329 1.00 0.00 N ATOM 449 CA HIS A 40 -8.072 -6.082 1.564 1.00 0.00 C ATOM 450 C HIS A 40 -7.616 -4.928 2.452 1.00 0.00 C ATOM 451 O HIS A 40 -8.339 -4.496 3.348 1.00 0.00 O ATOM 452 CB HIS A 40 -8.934 -5.550 0.416 1.00 0.00 C ATOM 453 CG HIS A 40 -8.232 -4.552 -0.453 1.00 0.00 C ATOM 454 ND1 HIS A 40 -8.061 -4.726 -1.810 1.00 0.00 N ATOM 455 CD2 HIS A 40 -7.655 -3.365 -0.153 1.00 0.00 C ATOM 456 CE1 HIS A 40 -7.408 -3.690 -2.307 1.00 0.00 C ATOM 457 NE2 HIS A 40 -7.150 -2.850 -1.321 1.00 0.00 N ATOM 0 H HIS A 40 -9.803 -7.147 2.046 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.185 -6.569 1.159 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -9.261 -6.388 -0.200 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -9.831 -5.090 0.830 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -8.388 -5.529 -2.347 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -7.602 -2.908 0.824 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -7.132 -3.554 -3.342 1.00 0.00 H new ATOM 466 N TYR A 41 -6.417 -4.429 2.179 1.00 0.00 N ATOM 467 CA TYR A 41 -5.846 -3.312 2.924 1.00 0.00 C ATOM 468 C TYR A 41 -4.922 -2.529 2.007 1.00 0.00 C ATOM 469 O TYR A 41 -4.156 -3.121 1.247 1.00 0.00 O ATOM 470 CB TYR A 41 -5.083 -3.804 4.163 1.00 0.00 C ATOM 471 CG TYR A 41 -5.979 -4.137 5.340 1.00 0.00 C ATOM 472 CD1 TYR A 41 -6.624 -5.367 5.426 1.00 0.00 C ATOM 473 CD2 TYR A 41 -6.179 -3.223 6.370 1.00 0.00 C ATOM 474 CE1 TYR A 41 -7.439 -5.674 6.499 1.00 0.00 C ATOM 475 CE2 TYR A 41 -6.994 -3.525 7.446 1.00 0.00 C ATOM 476 CZ TYR A 41 -7.620 -4.750 7.505 1.00 0.00 C ATOM 477 OH TYR A 41 -8.431 -5.053 8.575 1.00 0.00 O ATOM 0 H TYR A 41 -5.814 -4.785 1.437 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.653 -2.667 3.272 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.506 -4.689 3.895 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.369 -3.038 4.467 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.485 -6.095 4.640 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.689 -2.261 6.329 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.932 -6.634 6.549 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -7.139 -2.803 8.236 1.00 0.00 H new ATOM 0 HH TYR A 41 -8.451 -4.295 9.196 1.00 0.00 H new ATOM 487 N LEU A 42 -4.994 -1.206 2.061 1.00 0.00 N ATOM 488 CA LEU A 42 -4.148 -0.393 1.200 1.00 0.00 C ATOM 489 C LEU A 42 -3.813 0.934 1.838 1.00 0.00 C ATOM 490 O LEU A 42 -4.429 1.344 2.822 1.00 0.00 O ATOM 491 CB LEU A 42 -4.790 -0.180 -0.183 1.00 0.00 C ATOM 492 CG LEU A 42 -6.079 0.649 -0.248 1.00 0.00 C ATOM 493 CD1 LEU A 42 -7.245 -0.134 0.313 1.00 0.00 C ATOM 494 CD2 LEU A 42 -5.934 1.991 0.458 1.00 0.00 C ATOM 0 H LEU A 42 -5.615 -0.682 2.678 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.217 -0.943 1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.051 0.297 -0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.999 -1.160 -0.611 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.276 0.861 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.150 0.471 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.383 -1.047 -0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.044 -0.392 1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.871 2.543 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.690 1.826 1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.137 2.566 -0.014 1.00 0.00 H new ATOM 500 N PHE A 43 -2.830 1.606 1.262 1.00 0.00 N ATOM 501 CA PHE A 43 -2.406 2.902 1.767 1.00 0.00 C ATOM 502 C PHE A 43 -2.235 3.910 0.640 1.00 0.00 C ATOM 503 O PHE A 43 -1.973 3.544 -0.507 1.00 0.00 O ATOM 504 CB PHE A 43 -1.092 2.822 2.559 1.00 0.00 C ATOM 505 CG PHE A 43 -0.630 1.442 2.918 1.00 0.00 C ATOM 506 CD1 PHE A 43 -1.486 0.531 3.503 1.00 0.00 C ATOM 507 CD2 PHE A 43 0.677 1.064 2.671 1.00 0.00 C ATOM 508 CE1 PHE A 43 -1.050 -0.732 3.835 1.00 0.00 C ATOM 509 CE2 PHE A 43 1.120 -0.197 3.001 1.00 0.00 C ATOM 510 CZ PHE A 43 0.254 -1.099 3.583 1.00 0.00 C ATOM 0 H PHE A 43 -2.312 1.277 0.447 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.199 3.231 2.438 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.309 3.307 1.977 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.208 3.397 3.478 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.509 0.812 3.703 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.358 1.766 2.214 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.730 -1.435 4.293 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.144 -0.479 2.805 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.597 -2.090 3.840 1.00 0.00 H new ATOM 520 N LYS A 44 -2.369 5.185 0.986 1.00 0.00 N ATOM 521 CA LYS A 44 -2.216 6.261 0.023 1.00 0.00 C ATOM 522 C LYS A 44 -1.708 7.527 0.706 1.00 0.00 C ATOM 523 O LYS A 44 -2.301 8.006 1.673 1.00 0.00 O ATOM 524 CB LYS A 44 -3.539 6.530 -0.681 1.00 0.00 C ATOM 525 CG LYS A 44 -3.858 5.509 -1.759 1.00 0.00 C ATOM 526 CD LYS A 44 -4.820 6.077 -2.782 1.00 0.00 C ATOM 527 CE LYS A 44 -6.258 5.704 -2.464 1.00 0.00 C ATOM 528 NZ LYS A 44 -7.181 6.862 -2.620 1.00 0.00 N ATOM 0 H LYS A 44 -2.585 5.497 1.933 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.480 5.956 -0.721 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.342 6.534 0.056 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.511 7.524 -1.127 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.938 5.199 -2.254 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.291 4.618 -1.304 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.723 7.162 -2.811 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.558 5.707 -3.773 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.577 4.895 -3.121 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.318 5.327 -1.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.152 6.565 -2.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.893 7.625 -1.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.144 7.206 -3.601 1.00 0.00 H new ATOM 542 N HIS A 45 -0.601 8.057 0.199 1.00 0.00 N ATOM 543 CA HIS A 45 0.003 9.262 0.754 1.00 0.00 C ATOM 544 C HIS A 45 0.939 9.898 -0.267 1.00 0.00 C ATOM 545 O HIS A 45 2.079 9.464 -0.433 1.00 0.00 O ATOM 546 CB HIS A 45 0.766 8.933 2.038 1.00 0.00 C ATOM 547 CG HIS A 45 1.455 10.116 2.649 1.00 0.00 C ATOM 548 ND1 HIS A 45 1.240 10.523 3.949 1.00 0.00 N ATOM 549 CD2 HIS A 45 2.362 10.979 2.132 1.00 0.00 C ATOM 550 CE1 HIS A 45 1.983 11.586 4.203 1.00 0.00 C ATOM 551 NE2 HIS A 45 2.673 11.882 3.119 1.00 0.00 N ATOM 0 H HIS A 45 -0.101 7.668 -0.600 1.00 0.00 H new ATOM 0 HA HIS A 45 -0.790 9.971 0.994 1.00 0.00 H new ATOM 0 HB2 HIS A 45 0.072 8.512 2.765 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.507 8.163 1.823 1.00 0.00 H new ATOM 0 HD1 HIS A 45 0.607 10.074 4.611 1.00 0.00 H new ATOM 0 HD2 HIS A 45 2.765 10.960 1.130 1.00 0.00 H new ATOM 0 HE1 HIS A 45 2.019 12.122 5.140 1.00 0.00 H new ATOM 560 N LYS A 46 0.446 10.919 -0.956 1.00 0.00 N ATOM 561 CA LYS A 46 1.232 11.604 -1.970 1.00 0.00 C ATOM 562 C LYS A 46 1.911 12.844 -1.402 1.00 0.00 C ATOM 563 O LYS A 46 1.269 13.867 -1.164 1.00 0.00 O ATOM 564 CB LYS A 46 0.344 11.983 -3.154 1.00 0.00 C ATOM 565 CG LYS A 46 -0.495 10.825 -3.671 1.00 0.00 C ATOM 566 CD LYS A 46 -1.934 10.919 -3.193 1.00 0.00 C ATOM 567 CE LYS A 46 -2.663 12.083 -3.844 1.00 0.00 C ATOM 568 NZ LYS A 46 -3.382 11.667 -5.080 1.00 0.00 N ATOM 0 H LYS A 46 -0.496 11.290 -0.830 1.00 0.00 H new ATOM 0 HA LYS A 46 2.012 10.922 -2.310 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.317 12.798 -2.858 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.970 12.359 -3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.473 10.817 -4.761 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.061 9.883 -3.337 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.455 9.989 -3.420 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.951 11.038 -2.110 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.374 12.507 -3.136 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.948 12.869 -4.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.866 12.489 -5.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.700 11.285 -5.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.083 10.935 -4.844 1.00 0.00 H new ATOM 582 N SER A 47 3.218 12.742 -1.195 1.00 0.00 N ATOM 583 CA SER A 47 4.004 13.842 -0.665 1.00 0.00 C ATOM 584 C SER A 47 5.372 13.888 -1.337 1.00 0.00 C ATOM 585 O SER A 47 6.405 13.901 -0.669 1.00 0.00 O ATOM 586 CB SER A 47 4.162 13.705 0.851 1.00 0.00 C ATOM 587 OG SER A 47 3.139 14.408 1.536 1.00 0.00 O ATOM 0 H SER A 47 3.758 11.899 -1.389 1.00 0.00 H new ATOM 0 HA SER A 47 3.480 14.774 -0.876 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.133 12.651 1.129 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.136 14.088 1.154 1.00 0.00 H new ATOM 0 HG SER A 47 2.725 13.818 2.201 1.00 0.00 H new ATOM 593 N HIS A 48 5.359 13.921 -2.670 1.00 0.00 N ATOM 594 CA HIS A 48 6.585 13.972 -3.470 1.00 0.00 C ATOM 595 C HIS A 48 6.324 13.622 -4.943 1.00 0.00 C ATOM 596 O HIS A 48 6.968 14.186 -5.829 1.00 0.00 O ATOM 597 CB HIS A 48 7.678 13.050 -2.906 1.00 0.00 C ATOM 598 CG HIS A 48 7.248 11.628 -2.717 1.00 0.00 C ATOM 599 ND1 HIS A 48 6.625 11.174 -1.574 1.00 0.00 N ATOM 600 CD2 HIS A 48 7.352 10.556 -3.538 1.00 0.00 C ATOM 601 CE1 HIS A 48 6.366 9.884 -1.699 1.00 0.00 C ATOM 602 NE2 HIS A 48 6.796 9.485 -2.882 1.00 0.00 N ATOM 0 H HIS A 48 4.503 13.913 -3.224 1.00 0.00 H new ATOM 0 HA HIS A 48 6.938 15.002 -3.415 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.537 13.071 -3.577 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.012 13.447 -1.947 1.00 0.00 H new ATOM 0 HD1 HIS A 48 6.399 11.745 -0.759 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.791 10.545 -4.525 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.884 9.262 -0.959 1.00 0.00 H new ATOM 611 N PRO A 49 5.384 12.695 -5.248 1.00 0.00 N ATOM 612 CA PRO A 49 5.090 12.317 -6.638 1.00 0.00 C ATOM 613 C PRO A 49 4.655 13.512 -7.480 1.00 0.00 C ATOM 614 O PRO A 49 4.330 14.573 -6.948 1.00 0.00 O ATOM 615 CB PRO A 49 3.942 11.309 -6.507 1.00 0.00 C ATOM 616 CG PRO A 49 4.059 10.786 -5.119 1.00 0.00 C ATOM 617 CD PRO A 49 4.539 11.946 -4.297 1.00 0.00 C ATOM 0 HA PRO A 49 5.968 11.913 -7.142 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.975 11.785 -6.671 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.032 10.508 -7.241 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.100 10.417 -4.756 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.760 9.953 -5.071 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.710 12.551 -3.929 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.105 11.617 -3.425 1.00 0.00 H new ATOM 625 N ARG A 50 4.655 13.334 -8.799 1.00 0.00 N ATOM 626 CA ARG A 50 4.262 14.402 -9.712 1.00 0.00 C ATOM 627 C ARG A 50 2.986 14.036 -10.465 1.00 0.00 C ATOM 628 O ARG A 50 1.896 14.487 -10.112 1.00 0.00 O ATOM 629 CB ARG A 50 5.393 14.695 -10.701 1.00 0.00 C ATOM 630 CG ARG A 50 6.195 15.941 -10.357 1.00 0.00 C ATOM 631 CD ARG A 50 6.253 16.911 -11.527 1.00 0.00 C ATOM 632 NE ARG A 50 7.207 17.993 -11.294 1.00 0.00 N ATOM 633 CZ ARG A 50 7.702 18.764 -12.258 1.00 0.00 C ATOM 634 NH1 ARG A 50 7.335 18.579 -13.521 1.00 0.00 N ATOM 635 NH2 ARG A 50 8.565 19.726 -11.960 1.00 0.00 N ATOM 0 H ARG A 50 4.922 12.463 -9.257 1.00 0.00 H new ATOM 0 HA ARG A 50 4.065 15.297 -9.123 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.066 13.838 -10.735 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.971 14.809 -11.699 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.747 16.436 -9.495 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.207 15.655 -10.070 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.531 16.371 -12.432 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.262 17.332 -11.699 1.00 0.00 H new ATOM 0 HE ARG A 50 7.511 18.167 -10.336 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.670 17.842 -13.756 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.718 19.174 -14.256 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.849 19.874 -10.992 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.945 20.317 -12.699 1.00 0.00 H new ATOM 649 N ARG A 51 3.129 13.218 -11.502 1.00 0.00 N ATOM 650 CA ARG A 51 1.987 12.794 -12.304 1.00 0.00 C ATOM 651 C ARG A 51 2.383 11.670 -13.255 1.00 0.00 C ATOM 652 O ARG A 51 3.172 11.873 -14.177 1.00 0.00 O ATOM 653 CB ARG A 51 1.424 13.975 -13.096 1.00 0.00 C ATOM 654 CG ARG A 51 2.468 14.706 -13.925 1.00 0.00 C ATOM 655 CD ARG A 51 2.820 16.054 -13.318 1.00 0.00 C ATOM 656 NE ARG A 51 3.454 16.942 -14.290 1.00 0.00 N ATOM 657 CZ ARG A 51 2.785 17.619 -15.221 1.00 0.00 C ATOM 658 NH1 ARG A 51 1.466 17.512 -15.310 1.00 0.00 N ATOM 659 NH2 ARG A 51 3.438 18.406 -16.066 1.00 0.00 N ATOM 0 H ARG A 51 4.024 12.835 -11.807 1.00 0.00 H new ATOM 0 HA ARG A 51 1.217 12.422 -11.628 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.635 13.615 -13.756 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.964 14.680 -12.403 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.367 14.094 -14.001 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.094 14.849 -14.939 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.916 16.525 -12.932 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.490 15.907 -12.471 1.00 0.00 H new ATOM 0 HE ARG A 51 4.468 17.049 -14.253 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.958 16.908 -14.663 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.959 18.033 -16.025 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.452 18.492 -16.002 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.926 18.925 -16.779 1.00 0.00 H new ATOM 673 N SER A 52 1.832 10.482 -13.021 1.00 0.00 N ATOM 674 CA SER A 52 2.131 9.322 -13.854 1.00 0.00 C ATOM 675 C SER A 52 3.573 8.873 -13.653 1.00 0.00 C ATOM 676 O SER A 52 4.203 8.342 -14.568 1.00 0.00 O ATOM 677 CB SER A 52 1.883 9.640 -15.330 1.00 0.00 C ATOM 678 OG SER A 52 1.756 8.454 -16.094 1.00 0.00 O ATOM 0 H SER A 52 1.176 10.298 -12.262 1.00 0.00 H new ATOM 0 HA SER A 52 1.467 8.511 -13.554 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.977 10.238 -15.429 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.706 10.240 -15.719 1.00 0.00 H new ATOM 0 HG SER A 52 2.520 7.867 -15.916 1.00 0.00 H new ATOM 684 N ARG A 53 4.089 9.090 -12.447 1.00 0.00 N ATOM 685 CA ARG A 53 5.457 8.708 -12.119 1.00 0.00 C ATOM 686 C ARG A 53 5.672 7.214 -12.337 1.00 0.00 C ATOM 687 O ARG A 53 6.755 6.783 -12.733 1.00 0.00 O ATOM 688 CB ARG A 53 5.774 9.079 -10.669 1.00 0.00 C ATOM 689 CG ARG A 53 7.262 9.158 -10.371 1.00 0.00 C ATOM 690 CD ARG A 53 7.943 10.223 -11.215 1.00 0.00 C ATOM 691 NE ARG A 53 9.329 10.444 -10.805 1.00 0.00 N ATOM 692 CZ ARG A 53 9.680 11.149 -9.731 1.00 0.00 C ATOM 693 NH1 ARG A 53 8.754 11.701 -8.959 1.00 0.00 N ATOM 694 NH2 ARG A 53 10.963 11.303 -9.430 1.00 0.00 N ATOM 0 H ARG A 53 3.579 9.529 -11.680 1.00 0.00 H new ATOM 0 HA ARG A 53 6.131 9.251 -12.781 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.315 10.041 -10.441 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.318 8.343 -10.007 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.411 9.379 -9.314 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.724 8.190 -10.562 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.918 9.925 -12.263 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.388 11.158 -11.136 1.00 0.00 H new ATOM 0 HE ARG A 53 10.070 10.035 -11.374 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.766 11.587 -9.186 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.029 12.240 -8.138 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.680 10.882 -10.021 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.233 11.843 -8.608 1.00 0.00 H new ATOM 708 N ARG A 54 4.629 6.430 -12.082 1.00 0.00 N ATOM 709 CA ARG A 54 4.695 4.982 -12.256 1.00 0.00 C ATOM 710 C ARG A 54 5.861 4.384 -11.469 1.00 0.00 C ATOM 711 O ARG A 54 6.758 3.764 -12.041 1.00 0.00 O ATOM 712 CB ARG A 54 4.825 4.636 -13.743 1.00 0.00 C ATOM 713 CG ARG A 54 3.562 4.034 -14.337 1.00 0.00 C ATOM 714 CD ARG A 54 3.425 4.368 -15.814 1.00 0.00 C ATOM 715 NE ARG A 54 4.398 3.646 -16.634 1.00 0.00 N ATOM 716 CZ ARG A 54 5.549 4.165 -17.060 1.00 0.00 C ATOM 717 NH1 ARG A 54 5.886 5.411 -16.747 1.00 0.00 N ATOM 718 NH2 ARG A 54 6.369 3.433 -17.802 1.00 0.00 N ATOM 0 H ARG A 54 3.726 6.773 -11.754 1.00 0.00 H new ATOM 0 HA ARG A 54 3.772 4.551 -11.869 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.083 5.539 -14.297 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.649 3.935 -13.874 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.578 2.952 -14.208 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.692 4.406 -13.797 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.417 4.123 -16.149 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.556 5.441 -15.956 1.00 0.00 H new ATOM 0 HE ARG A 54 4.182 2.684 -16.896 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.261 5.980 -16.175 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.769 5.799 -17.078 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.118 2.475 -18.046 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.251 3.828 -18.129 1.00 0.00 H new ATOM 732 N SER A 55 5.841 4.571 -10.151 1.00 0.00 N ATOM 733 CA SER A 55 6.899 4.044 -9.289 1.00 0.00 C ATOM 734 C SER A 55 6.739 4.533 -7.852 1.00 0.00 C ATOM 735 O SER A 55 6.337 5.671 -7.612 1.00 0.00 O ATOM 736 CB SER A 55 8.276 4.449 -9.820 1.00 0.00 C ATOM 737 OG SER A 55 8.808 3.453 -10.675 1.00 0.00 O ATOM 0 H SER A 55 5.108 5.081 -9.658 1.00 0.00 H new ATOM 0 HA SER A 55 6.817 2.957 -9.295 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.197 5.392 -10.361 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.956 4.616 -8.985 1.00 0.00 H new ATOM 0 HG SER A 55 8.189 3.295 -11.418 1.00 0.00 H new ATOM 743 N ALA A 56 7.070 3.663 -6.903 1.00 0.00 N ATOM 744 CA ALA A 56 6.981 3.996 -5.486 1.00 0.00 C ATOM 745 C ALA A 56 8.368 3.960 -4.846 1.00 0.00 C ATOM 746 O ALA A 56 9.376 4.054 -5.546 1.00 0.00 O ATOM 747 CB ALA A 56 6.030 3.041 -4.780 1.00 0.00 C ATOM 0 H ALA A 56 7.404 2.718 -7.091 1.00 0.00 H new ATOM 0 HA ALA A 56 6.586 5.007 -5.384 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.972 3.300 -3.723 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.039 3.118 -5.227 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.397 2.020 -4.884 1.00 0.00 H new ATOM 753 N LEU A 57 8.427 3.827 -3.523 1.00 0.00 N ATOM 754 CA LEU A 57 9.713 3.785 -2.832 1.00 0.00 C ATOM 755 C LEU A 57 9.583 3.222 -1.419 1.00 0.00 C ATOM 756 O LEU A 57 10.072 2.129 -1.134 1.00 0.00 O ATOM 757 CB LEU A 57 10.329 5.179 -2.780 1.00 0.00 C ATOM 758 CG LEU A 57 9.340 6.307 -2.494 1.00 0.00 C ATOM 759 CD1 LEU A 57 9.650 6.959 -1.158 1.00 0.00 C ATOM 760 CD2 LEU A 57 9.365 7.327 -3.618 1.00 0.00 C ATOM 0 H LEU A 57 7.612 3.747 -2.915 1.00 0.00 H new ATOM 0 HA LEU A 57 10.365 3.119 -3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.103 5.190 -2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.821 5.379 -3.732 1.00 0.00 H new ATOM 0 HG LEU A 57 8.336 5.887 -2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.936 7.761 -0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.578 6.215 -0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.659 7.370 -1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.655 8.125 -3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.367 7.747 -3.706 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.091 6.843 -4.555 1.00 0.00 H new ATOM 766 N HIS A 58 8.927 3.969 -0.535 1.00 0.00 N ATOM 767 CA HIS A 58 8.749 3.527 0.844 1.00 0.00 C ATOM 768 C HIS A 58 7.588 2.548 0.950 1.00 0.00 C ATOM 769 O HIS A 58 7.497 1.784 1.907 1.00 0.00 O ATOM 770 CB HIS A 58 8.540 4.708 1.804 1.00 0.00 C ATOM 771 CG HIS A 58 7.845 5.895 1.207 1.00 0.00 C ATOM 772 ND1 HIS A 58 6.847 5.793 0.264 1.00 0.00 N ATOM 773 CD2 HIS A 58 8.009 7.220 1.437 1.00 0.00 C ATOM 774 CE1 HIS A 58 6.427 7.004 -0.062 1.00 0.00 C ATOM 775 NE2 HIS A 58 7.115 7.886 0.637 1.00 0.00 N ATOM 0 H HIS A 58 8.513 4.877 -0.747 1.00 0.00 H new ATOM 0 HA HIS A 58 9.667 3.020 1.140 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.963 4.362 2.662 1.00 0.00 H new ATOM 0 HB3 HIS A 58 9.512 5.027 2.181 1.00 0.00 H new ATOM 0 HD2 HIS A 58 8.713 7.669 2.123 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.652 7.232 -0.779 1.00 0.00 H new ATOM 0 HE2 HIS A 58 7.001 8.899 0.590 1.00 0.00 H new ATOM 784 N ILE A 59 6.712 2.551 -0.047 1.00 0.00 N ATOM 785 CA ILE A 59 5.585 1.634 -0.049 1.00 0.00 C ATOM 786 C ILE A 59 5.954 0.350 -0.796 1.00 0.00 C ATOM 787 O ILE A 59 5.092 -0.471 -1.112 1.00 0.00 O ATOM 788 CB ILE A 59 4.305 2.304 -0.632 1.00 0.00 C ATOM 789 CG1 ILE A 59 3.123 2.084 0.308 1.00 0.00 C ATOM 790 CG2 ILE A 59 3.953 1.814 -2.029 1.00 0.00 C ATOM 791 CD1 ILE A 59 2.763 0.628 0.484 1.00 0.00 C ATOM 0 H ILE A 59 6.761 3.172 -0.855 1.00 0.00 H new ATOM 0 HA ILE A 59 5.351 1.368 0.982 1.00 0.00 H new ATOM 0 HB ILE A 59 4.524 3.368 -0.718 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.357 2.513 1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.256 2.621 -0.077 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.052 2.320 -2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.776 2.032 -2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.778 0.738 -2.004 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.915 0.542 1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.498 0.199 -0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.616 0.090 0.898 1.00 0.00 H new ATOM 795 N THR A 60 7.254 0.178 -1.064 1.00 0.00 N ATOM 796 CA THR A 60 7.738 -1.008 -1.764 1.00 0.00 C ATOM 797 C THR A 60 8.867 -1.708 -0.997 1.00 0.00 C ATOM 798 O THR A 60 9.691 -2.395 -1.600 1.00 0.00 O ATOM 799 CB THR A 60 8.228 -0.630 -3.162 1.00 0.00 C ATOM 800 OG1 THR A 60 7.493 0.468 -3.669 1.00 0.00 O ATOM 801 CG2 THR A 60 8.115 -1.760 -4.162 1.00 0.00 C ATOM 0 H THR A 60 7.983 0.844 -0.807 1.00 0.00 H new ATOM 0 HA THR A 60 6.902 -1.704 -1.839 1.00 0.00 H new ATOM 0 HB THR A 60 9.282 -0.379 -3.041 1.00 0.00 H new ATOM 0 HG1 THR A 60 8.112 1.152 -4.000 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.479 -1.424 -5.133 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.712 -2.607 -3.823 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.072 -2.064 -4.251 1.00 0.00 H new ATOM 806 N LYS A 61 8.903 -1.547 0.328 1.00 0.00 N ATOM 807 CA LYS A 61 9.941 -2.191 1.138 1.00 0.00 C ATOM 808 C LYS A 61 9.341 -2.873 2.367 1.00 0.00 C ATOM 809 O LYS A 61 9.482 -4.084 2.538 1.00 0.00 O ATOM 810 CB LYS A 61 11.052 -1.183 1.511 1.00 0.00 C ATOM 811 CG LYS A 61 10.848 -0.413 2.815 1.00 0.00 C ATOM 812 CD LYS A 61 9.921 0.782 2.633 1.00 0.00 C ATOM 813 CE LYS A 61 10.282 1.923 3.573 1.00 0.00 C ATOM 814 NZ LYS A 61 10.611 1.433 4.941 1.00 0.00 N ATOM 0 H LYS A 61 8.236 -0.985 0.857 1.00 0.00 H new ATOM 0 HA LYS A 61 10.405 -2.975 0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.997 -1.722 1.575 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.149 -0.463 0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.434 -1.081 3.570 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.813 -0.070 3.188 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.974 1.130 1.601 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.891 0.474 2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.134 2.471 3.169 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.450 2.624 3.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.470 2.201 5.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.990 0.634 5.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.603 1.121 4.969 1.00 0.00 H new ATOM 828 N ARG A 62 8.643 -2.112 3.198 1.00 0.00 N ATOM 829 CA ARG A 62 7.998 -2.673 4.375 1.00 0.00 C ATOM 830 C ARG A 62 6.672 -3.303 3.965 1.00 0.00 C ATOM 831 O ARG A 62 6.000 -3.957 4.762 1.00 0.00 O ATOM 832 CB ARG A 62 7.775 -1.589 5.432 1.00 0.00 C ATOM 833 CG ARG A 62 8.626 -1.768 6.678 1.00 0.00 C ATOM 834 CD ARG A 62 8.434 -3.143 7.296 1.00 0.00 C ATOM 835 NE ARG A 62 8.878 -3.183 8.688 1.00 0.00 N ATOM 836 CZ ARG A 62 10.155 -3.132 9.060 1.00 0.00 C ATOM 837 NH1 ARG A 62 11.117 -3.046 8.150 1.00 0.00 N ATOM 838 NH2 ARG A 62 10.472 -3.168 10.347 1.00 0.00 N ATOM 0 H ARG A 62 8.509 -1.108 3.079 1.00 0.00 H new ATOM 0 HA ARG A 62 8.641 -3.438 4.810 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.990 -0.615 4.992 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.723 -1.584 5.718 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.677 -1.626 6.425 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.368 -1.001 7.408 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.381 -3.421 7.243 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.988 -3.882 6.717 1.00 0.00 H new ATOM 0 HE ARG A 62 8.168 -3.254 9.417 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.880 -3.019 7.158 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.093 -3.007 8.442 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.737 -3.235 11.051 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.450 -3.129 10.633 1.00 0.00 H new ATOM 852 N LEU A 63 6.311 -3.089 2.701 1.00 0.00 N ATOM 853 CA LEU A 63 5.083 -3.612 2.139 1.00 0.00 C ATOM 854 C LEU A 63 5.244 -5.082 1.784 1.00 0.00 C ATOM 855 O LEU A 63 4.603 -5.945 2.379 1.00 0.00 O ATOM 856 CB LEU A 63 4.720 -2.797 0.890 1.00 0.00 C ATOM 857 CG LEU A 63 3.295 -2.963 0.366 1.00 0.00 C ATOM 858 CD1 LEU A 63 3.008 -4.416 0.018 1.00 0.00 C ATOM 859 CD2 LEU A 63 2.295 -2.430 1.379 1.00 0.00 C ATOM 0 H LEU A 63 6.869 -2.546 2.042 1.00 0.00 H new ATOM 0 HA LEU A 63 4.283 -3.529 2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.883 -1.742 1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.412 -3.067 0.092 1.00 0.00 H new ATOM 0 HG LEU A 63 3.194 -2.381 -0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.987 -4.507 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.704 -4.750 -0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.127 -5.034 0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.284 -2.555 0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.396 -2.980 2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.487 -1.372 1.558 1.00 0.00 H new ATOM 865 N SER A 64 6.100 -5.359 0.805 1.00 0.00 N ATOM 866 CA SER A 64 6.336 -6.730 0.370 1.00 0.00 C ATOM 867 C SER A 64 6.722 -7.607 1.555 1.00 0.00 C ATOM 868 O SER A 64 6.233 -8.732 1.703 1.00 0.00 O ATOM 869 CB SER A 64 7.423 -6.776 -0.704 1.00 0.00 C ATOM 870 OG SER A 64 8.717 -6.826 -0.126 1.00 0.00 O ATOM 0 H SER A 64 6.639 -4.655 0.300 1.00 0.00 H new ATOM 0 HA SER A 64 5.412 -7.116 -0.060 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.272 -7.649 -1.340 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.342 -5.898 -1.344 1.00 0.00 H new ATOM 0 HG SER A 64 9.392 -6.856 -0.836 1.00 0.00 H new ATOM 876 N ASP A 65 7.582 -7.077 2.421 1.00 0.00 N ATOM 877 CA ASP A 65 8.003 -7.814 3.602 1.00 0.00 C ATOM 878 C ASP A 65 6.778 -8.298 4.368 1.00 0.00 C ATOM 879 O ASP A 65 6.696 -9.458 4.770 1.00 0.00 O ATOM 880 CB ASP A 65 8.873 -6.932 4.502 1.00 0.00 C ATOM 881 CG ASP A 65 9.391 -7.679 5.715 1.00 0.00 C ATOM 882 OD1 ASP A 65 8.644 -7.787 6.711 1.00 0.00 O ATOM 883 OD2 ASP A 65 10.545 -8.154 5.672 1.00 0.00 O ATOM 0 H ASP A 65 7.996 -6.149 2.326 1.00 0.00 H new ATOM 0 HA ASP A 65 8.594 -8.675 3.289 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.716 -6.550 3.926 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.294 -6.069 4.830 1.00 0.00 H new ATOM 888 N ASP A 66 5.820 -7.394 4.545 1.00 0.00 N ATOM 889 CA ASP A 66 4.579 -7.718 5.243 1.00 0.00 C ATOM 890 C ASP A 66 3.578 -8.400 4.307 1.00 0.00 C ATOM 891 O ASP A 66 2.633 -9.041 4.761 1.00 0.00 O ATOM 892 CB ASP A 66 3.962 -6.453 5.838 1.00 0.00 C ATOM 893 CG ASP A 66 4.436 -6.190 7.254 1.00 0.00 C ATOM 894 OD1 ASP A 66 5.635 -6.407 7.529 1.00 0.00 O ATOM 895 OD2 ASP A 66 3.609 -5.766 8.089 1.00 0.00 O ATOM 0 H ASP A 66 5.878 -6.431 4.215 1.00 0.00 H new ATOM 0 HA ASP A 66 4.818 -8.413 6.048 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.213 -5.599 5.209 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.876 -6.544 5.832 1.00 0.00 H new ATOM 900 N ASP A 67 3.791 -8.245 3.000 1.00 0.00 N ATOM 901 CA ASP A 67 2.913 -8.825 1.984 1.00 0.00 C ATOM 902 C ASP A 67 2.799 -10.340 2.125 1.00 0.00 C ATOM 903 O ASP A 67 1.903 -10.957 1.551 1.00 0.00 O ATOM 904 CB ASP A 67 3.433 -8.470 0.585 1.00 0.00 C ATOM 905 CG ASP A 67 2.873 -9.364 -0.507 1.00 0.00 C ATOM 906 OD1 ASP A 67 1.667 -9.675 -0.460 1.00 0.00 O ATOM 907 OD2 ASP A 67 3.643 -9.752 -1.411 1.00 0.00 O ATOM 0 H ASP A 67 4.574 -7.716 2.617 1.00 0.00 H new ATOM 0 HA ASP A 67 1.918 -8.405 2.128 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.179 -7.434 0.363 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.521 -8.540 0.580 1.00 0.00 H new ATOM 912 N ARG A 68 3.706 -10.938 2.885 1.00 0.00 N ATOM 913 CA ARG A 68 3.698 -12.385 3.085 1.00 0.00 C ATOM 914 C ARG A 68 2.297 -12.894 3.407 1.00 0.00 C ATOM 915 O ARG A 68 1.981 -14.059 3.169 1.00 0.00 O ATOM 916 CB ARG A 68 4.672 -12.775 4.200 1.00 0.00 C ATOM 917 CG ARG A 68 5.973 -13.371 3.690 1.00 0.00 C ATOM 918 CD ARG A 68 7.092 -12.342 3.679 1.00 0.00 C ATOM 919 NE ARG A 68 8.410 -12.964 3.781 1.00 0.00 N ATOM 920 CZ ARG A 68 8.970 -13.678 2.808 1.00 0.00 C ATOM 921 NH1 ARG A 68 8.332 -13.864 1.659 1.00 0.00 N ATOM 922 NH2 ARG A 68 10.172 -14.209 2.984 1.00 0.00 N ATOM 0 H ARG A 68 4.456 -10.448 3.373 1.00 0.00 H new ATOM 0 HA ARG A 68 4.019 -12.852 2.154 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.897 -11.893 4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.187 -13.494 4.860 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.259 -14.214 4.319 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.826 -13.760 2.683 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.037 -11.757 2.761 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.954 -11.648 4.508 1.00 0.00 H new ATOM 0 HE ARG A 68 8.932 -12.844 4.649 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.407 -13.458 1.518 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.767 -14.412 0.917 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.667 -14.070 3.865 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.602 -14.757 2.238 1.00 0.00 H new ATOM 936 N VAL A 69 1.460 -12.012 3.940 1.00 0.00 N ATOM 937 CA VAL A 69 0.089 -12.371 4.285 1.00 0.00 C ATOM 938 C VAL A 69 -0.593 -13.135 3.155 1.00 0.00 C ATOM 939 O VAL A 69 -1.087 -14.246 3.352 1.00 0.00 O ATOM 940 CB VAL A 69 -0.775 -11.137 4.612 1.00 0.00 C ATOM 941 CG1 VAL A 69 -0.861 -10.926 6.115 1.00 0.00 C ATOM 942 CG2 VAL A 69 -0.260 -9.881 3.917 1.00 0.00 C ATOM 0 H VAL A 69 1.706 -11.043 4.143 1.00 0.00 H new ATOM 0 HA VAL A 69 0.167 -13.002 5.170 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.777 -11.330 4.230 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.475 -10.050 6.325 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.309 -11.804 6.581 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.140 -10.773 6.519 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.898 -9.035 4.175 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.761 -9.678 4.242 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.274 -10.031 2.837 1.00 0.00 H new ATOM 946 N THR A 70 -0.621 -12.529 1.973 1.00 0.00 N ATOM 947 CA THR A 70 -1.244 -13.145 0.816 1.00 0.00 C ATOM 948 C THR A 70 -0.610 -12.622 -0.467 1.00 0.00 C ATOM 949 O THR A 70 0.296 -13.249 -1.019 1.00 0.00 O ATOM 950 CB THR A 70 -2.747 -12.886 0.815 1.00 0.00 C ATOM 951 OG1 THR A 70 -3.337 -13.365 2.007 1.00 0.00 O ATOM 952 CG2 THR A 70 -3.465 -13.534 -0.349 1.00 0.00 C ATOM 0 H THR A 70 -0.217 -11.609 1.795 1.00 0.00 H new ATOM 0 HA THR A 70 -1.083 -14.222 0.868 1.00 0.00 H new ATOM 0 HB THR A 70 -2.855 -11.805 0.729 1.00 0.00 H new ATOM 0 HG1 THR A 70 -3.891 -14.148 1.806 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.530 -13.311 -0.289 1.00 0.00 H new ATOM 0 HG22 THR A 70 -3.065 -13.146 -1.285 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.318 -14.613 -0.312 1.00 0.00 H new ATOM 957 N TRP A 71 -1.065 -11.458 -0.925 1.00 0.00 N ATOM 958 CA TRP A 71 -0.503 -10.849 -2.127 1.00 0.00 C ATOM 959 C TRP A 71 -0.488 -9.338 -1.997 1.00 0.00 C ATOM 960 O TRP A 71 -1.343 -8.749 -1.336 1.00 0.00 O ATOM 961 CB TRP A 71 -1.268 -11.261 -3.383 1.00 0.00 C ATOM 962 CG TRP A 71 -2.604 -10.609 -3.502 1.00 0.00 C ATOM 963 CD1 TRP A 71 -3.790 -11.155 -3.145 1.00 0.00 C ATOM 964 CD2 TRP A 71 -2.892 -9.298 -4.002 1.00 0.00 C ATOM 965 NE1 TRP A 71 -4.812 -10.277 -3.395 1.00 0.00 N ATOM 966 CE2 TRP A 71 -4.287 -9.123 -3.921 1.00 0.00 C ATOM 967 CE3 TRP A 71 -2.111 -8.255 -4.510 1.00 0.00 C ATOM 968 CZ2 TRP A 71 -4.916 -7.948 -4.328 1.00 0.00 C ATOM 969 CZ3 TRP A 71 -2.737 -7.089 -4.914 1.00 0.00 C ATOM 970 CH2 TRP A 71 -4.126 -6.944 -4.820 1.00 0.00 C ATOM 0 H TRP A 71 -1.814 -10.922 -0.487 1.00 0.00 H new ATOM 0 HA TRP A 71 0.520 -11.210 -2.228 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.671 -11.013 -4.261 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.399 -12.343 -3.382 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -3.913 -12.142 -2.723 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -5.801 -10.452 -3.219 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.039 -8.358 -4.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -5.988 -7.834 -4.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.144 -6.277 -5.308 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -4.584 -6.021 -5.142 1.00 0.00 H new ATOM 981 N ALA A 72 0.506 -8.725 -2.614 1.00 0.00 N ATOM 982 CA ALA A 72 0.665 -7.281 -2.554 1.00 0.00 C ATOM 983 C ALA A 72 1.345 -6.735 -3.810 1.00 0.00 C ATOM 984 O ALA A 72 2.333 -7.296 -4.283 1.00 0.00 O ATOM 985 CB ALA A 72 1.461 -6.931 -1.308 1.00 0.00 C ATOM 0 H ALA A 72 1.218 -9.205 -3.164 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.320 -6.816 -2.505 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.588 -5.850 -1.249 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.927 -7.282 -0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.439 -7.410 -1.355 1.00 0.00 H new ATOM 991 N GLU A 73 0.811 -5.636 -4.348 1.00 0.00 N ATOM 992 CA GLU A 73 1.378 -5.023 -5.549 1.00 0.00 C ATOM 993 C GLU A 73 1.143 -3.511 -5.571 1.00 0.00 C ATOM 994 O GLU A 73 0.110 -3.027 -5.110 1.00 0.00 O ATOM 995 CB GLU A 73 0.774 -5.661 -6.802 1.00 0.00 C ATOM 996 CG GLU A 73 1.375 -5.141 -8.098 1.00 0.00 C ATOM 997 CD GLU A 73 2.161 -6.202 -8.844 1.00 0.00 C ATOM 998 OE1 GLU A 73 1.771 -7.386 -8.779 1.00 0.00 O ATOM 999 OE2 GLU A 73 3.168 -5.847 -9.493 1.00 0.00 O ATOM 0 H GLU A 73 -0.007 -5.156 -3.974 1.00 0.00 H new ATOM 0 HA GLU A 73 2.454 -5.198 -5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.914 -6.741 -6.754 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.301 -5.479 -6.811 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.577 -4.767 -8.740 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.029 -4.297 -7.878 1.00 0.00 H new ATOM 1006 N GLN A 74 2.110 -2.773 -6.117 1.00 0.00 N ATOM 1007 CA GLN A 74 2.012 -1.316 -6.210 1.00 0.00 C ATOM 1008 C GLN A 74 1.393 -0.900 -7.542 1.00 0.00 C ATOM 1009 O GLN A 74 1.283 -1.712 -8.460 1.00 0.00 O ATOM 1010 CB GLN A 74 3.394 -0.679 -6.054 1.00 0.00 C ATOM 1011 CG GLN A 74 4.370 -1.061 -7.155 1.00 0.00 C ATOM 1012 CD GLN A 74 5.316 0.068 -7.514 1.00 0.00 C ATOM 1013 OE1 GLN A 74 6.461 0.102 -7.064 1.00 0.00 O ATOM 1014 NE2 GLN A 74 4.839 1.001 -8.330 1.00 0.00 N ATOM 0 H GLN A 74 2.971 -3.161 -6.502 1.00 0.00 H new ATOM 0 HA GLN A 74 1.368 -0.966 -5.404 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.285 0.405 -6.037 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.813 -0.972 -5.091 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.949 -1.928 -6.837 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.812 -1.359 -8.043 1.00 0.00 H new ATOM 0 HE21 GLN A 74 3.883 0.933 -8.679 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.429 1.786 -8.607 1.00 0.00 H new ATOM 1021 N GLN A 75 0.983 0.364 -7.648 1.00 0.00 N ATOM 1022 CA GLN A 75 0.371 0.858 -8.879 1.00 0.00 C ATOM 1023 C GLN A 75 0.599 2.358 -9.057 1.00 0.00 C ATOM 1024 O GLN A 75 1.432 2.954 -8.372 1.00 0.00 O ATOM 1025 CB GLN A 75 -1.128 0.552 -8.879 1.00 0.00 C ATOM 1026 CG GLN A 75 -1.653 0.085 -10.228 1.00 0.00 C ATOM 1027 CD GLN A 75 -2.203 -1.328 -10.184 1.00 0.00 C ATOM 1028 OE1 GLN A 75 -1.824 -2.127 -9.328 1.00 0.00 O ATOM 1029 NE2 GLN A 75 -3.101 -1.643 -11.110 1.00 0.00 N ATOM 0 H GLN A 75 1.063 1.057 -6.904 1.00 0.00 H new ATOM 0 HA GLN A 75 0.846 0.346 -9.716 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.334 -0.215 -8.133 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.673 1.446 -8.576 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -2.436 0.765 -10.564 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.850 0.135 -10.963 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.386 -0.949 -11.801 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.505 -2.579 -11.131 1.00 0.00 H new ATOM 1036 N TYR A 76 -0.166 2.960 -9.971 1.00 0.00 N ATOM 1037 CA TYR A 76 -0.081 4.395 -10.247 1.00 0.00 C ATOM 1038 C TYR A 76 1.344 4.819 -10.594 1.00 0.00 C ATOM 1039 O TYR A 76 1.565 5.493 -11.598 1.00 99.99 O ATOM 1040 CB TYR A 76 -0.601 5.206 -9.060 1.00 0.00 C ATOM 1041 CG TYR A 76 -1.601 4.468 -8.200 1.00 0.00 C ATOM 1042 CD1 TYR A 76 -1.174 3.642 -7.176 1.00 0.00 C ATOM 1043 CD2 TYR A 76 -2.965 4.602 -8.408 1.00 0.00 C ATOM 1044 CE1 TYR A 76 -2.066 2.965 -6.378 1.00 0.00 C ATOM 1045 CE2 TYR A 76 -3.874 3.928 -7.615 1.00 0.00 C ATOM 1046 CZ TYR A 76 -3.420 3.109 -6.599 1.00 0.00 C ATOM 1047 OH TYR A 76 -4.321 2.436 -5.806 1.00 0.00 O ATOM 0 H TYR A 76 -0.858 2.469 -10.537 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.710 4.597 -11.114 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.244 5.506 -8.440 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.063 6.120 -9.433 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.115 3.526 -6.999 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -3.322 5.242 -9.201 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.709 2.325 -5.584 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.934 4.041 -7.788 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.233 2.649 -6.094 1.00 0.00 H new