USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 877 hydrogens (128 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 NoAdj-H: A 17 MLY H2 : A 17 MLY N : A 16 PRO C :(H bumps) USER MOD NoAdj-H: A 34 MLY H2 : A 34 MLY N : A 33 GLY C :(H bumps) USER MOD NoAdj-H: A 35 MLY H2 : A 35 MLY N : A 34 MLY C :(H bumps) USER MOD NoAdj-H: A 44 MLY H2 : A 44 MLY N : A 43 ASN C :(H bumps) USER MOD NoAdj-H: A 44 MLY H : A 44 MLY N : A 43 ASN C :(H bumps) USER MOD NoAdj-H: A 47 MLY H2 : A 47 MLY N : A 46 PHE C :(H bumps) USER MOD NoAdj-H: A 52 MLY H2 : A 52 MLY N : A 51 GLY C :(H bumps) USER MOD NoAdj-H: A 73 MLY H2 : A 73 MLY N : A 72 ALA C :(H bumps) USER MOD NoAdj-H: A 105 MLY H2 : A 105 MLY N : A 104 LEU C :(H bumps) USER MOD NoAdj-H: A 105 MLY H : A 105 MLY N : A 104 LEU C :(H bumps) USER MOD Set 1.1: A 25 HIS : no HD1:sc= -1.49 X(o=0.13,f=0.44) USER MOD Set 1.2: A 39 SER OG : rot -72:sc= 1.62 USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0.0227 USER MOD Set 2.2: A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 20 GLN : amide:sc= -1.61! K(o=-3.2!,f=-1.6) USER MOD Set 3.2: A 22 CYS SG : rot 80:sc= -1.58 USER MOD Single : A 0 MET CE :methyl 177:sc= 0 (180deg=-0.0268) USER MOD Single : A 3 GLN : amide:sc= -0.0752 K(o=-0.075,f=-1.1) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ 160:sc= 0.565 (180deg=0.509) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0348 USER MOD Single : A 29 MET CE :methyl -170:sc= 0 (180deg=-0.0753) USER MOD Single : A 38 SER OG : rot -150:sc= -0.419 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.528 K(o=-0.53,f=-1.1) USER MOD Single : A 66 MET CE :methyl -177:sc= -2.56! (180deg=-2.66!) USER MOD Single : A 67 SER OG : rot -100:sc= 0.469 USER MOD Single : A 70 GLN : amide:sc= -1.8 K(o=-1.8,f=-0.84) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -84:sc= 1.27 USER MOD Single : A 80 TYR OH : rot 112:sc= 0.0394 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.17 X(o=-0.17,f=0) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 101:sc= 0.115 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -6.799 -10.578 -12.836 1.00 23.20 N ATOM 2 CA GLY A -3 -7.941 -9.899 -13.420 1.00 43.12 C ATOM 3 C GLY A -3 -9.272 -10.511 -12.990 1.00 10.33 C ATOM 4 O GLY A -3 -10.055 -9.832 -12.319 1.00 34.23 O ATOM 0 H1 GLY A -3 -5.947 -10.368 -13.395 1.00 23.20 H new ATOM 0 H2 GLY A -3 -6.662 -10.249 -11.859 1.00 23.20 H new ATOM 0 H3 GLY A -3 -6.968 -11.604 -12.835 1.00 23.20 H new ATOM 0 HA2 GLY A -3 -7.919 -8.848 -13.133 1.00 43.12 H new ATOM 0 HA3 GLY A -3 -7.863 -9.935 -14.507 1.00 43.12 H new ATOM 8 N PRO A -2 -9.574 -11.799 -13.357 1.00 43.42 N ATOM 9 CA PRO A -2 -10.839 -12.464 -12.981 1.00 72.12 C ATOM 10 C PRO A -2 -10.877 -12.898 -11.510 1.00 24.33 C ATOM 11 O PRO A -2 -11.932 -12.846 -10.872 1.00 1.42 O ATOM 12 CB PRO A -2 -10.897 -13.701 -13.901 1.00 65.32 C ATOM 13 CG PRO A -2 -9.762 -13.552 -14.862 1.00 23.11 C ATOM 14 CD PRO A -2 -8.737 -12.707 -14.168 1.00 3.14 C ATOM 0 HA PRO A -2 -11.685 -11.787 -13.096 1.00 72.12 H new ATOM 0 HB2 PRO A -2 -10.802 -14.621 -13.324 1.00 65.32 H new ATOM 0 HB3 PRO A -2 -11.850 -13.752 -14.427 1.00 65.32 H new ATOM 0 HG2 PRO A -2 -9.349 -14.524 -15.130 1.00 23.11 H new ATOM 0 HG3 PRO A -2 -10.094 -13.081 -15.787 1.00 23.11 H new ATOM 0 HD2 PRO A -2 -8.068 -13.305 -13.549 1.00 3.14 H new ATOM 0 HD3 PRO A -2 -8.113 -12.161 -14.876 1.00 3.14 H new ATOM 22 N SER A -1 -9.720 -13.324 -10.987 1.00 54.30 N ATOM 23 CA SER A -1 -9.608 -13.769 -9.597 1.00 74.21 C ATOM 24 C SER A -1 -8.853 -12.746 -8.744 1.00 44.31 C ATOM 25 O SER A -1 -9.257 -12.459 -7.613 1.00 24.24 O ATOM 26 CB SER A -1 -8.907 -15.129 -9.530 1.00 35.31 C ATOM 27 OG SER A -1 -9.630 -16.112 -10.252 1.00 34.24 O ATOM 0 H SER A -1 -8.846 -13.369 -11.511 1.00 54.30 H new ATOM 0 HA SER A -1 -10.616 -13.866 -9.195 1.00 74.21 H new ATOM 0 HB2 SER A -1 -7.899 -15.043 -9.936 1.00 35.31 H new ATOM 0 HB3 SER A -1 -8.806 -15.439 -8.490 1.00 35.31 H new ATOM 0 HG SER A -1 -9.161 -16.971 -10.195 1.00 34.24 H new ATOM 33 N MET A 0 -7.760 -12.204 -9.296 1.00 71.24 N ATOM 34 CA MET A 0 -6.940 -11.212 -8.597 1.00 20.33 C ATOM 35 C MET A 0 -7.254 -9.803 -9.089 1.00 73.21 C ATOM 36 O MET A 0 -7.338 -9.566 -10.297 1.00 22.03 O ATOM 37 CB MET A 0 -5.450 -11.511 -8.794 1.00 31.50 C ATOM 38 CG MET A 0 -4.951 -12.715 -8.004 1.00 40.30 C ATOM 39 SD MET A 0 -5.048 -12.475 -6.216 1.00 23.03 S ATOM 40 CE MET A 0 -3.574 -11.502 -5.910 1.00 60.20 C ATOM 0 H MET A 0 -7.424 -12.439 -10.230 1.00 71.24 H new ATOM 0 HA MET A 0 -7.176 -11.271 -7.535 1.00 20.33 H new ATOM 0 HB2 MET A 0 -5.261 -11.681 -9.854 1.00 31.50 H new ATOM 0 HB3 MET A 0 -4.872 -10.634 -8.504 1.00 31.50 H new ATOM 0 HG2 MET A 0 -5.537 -13.592 -8.280 1.00 40.30 H new ATOM 0 HG3 MET A 0 -3.918 -12.922 -8.282 1.00 40.30 H new ATOM 0 HE1 MET A 0 -3.529 -11.232 -4.855 1.00 60.20 H new ATOM 0 HE2 MET A 0 -2.692 -12.085 -6.174 1.00 60.20 H new ATOM 0 HE3 MET A 0 -3.604 -10.596 -6.515 1.00 60.20 H new ATOM 50 N GLY A 1 -7.424 -8.878 -8.139 1.00 60.01 N ATOM 51 CA GLY A 1 -7.727 -7.492 -8.475 1.00 13.55 C ATOM 52 C GLY A 1 -6.655 -6.516 -8.013 1.00 3.14 C ATOM 53 O GLY A 1 -6.892 -5.305 -7.980 1.00 44.31 O ATOM 0 H GLY A 1 -7.357 -9.067 -7.139 1.00 60.01 H new ATOM 0 HA2 GLY A 1 -7.848 -7.405 -9.555 1.00 13.55 H new ATOM 0 HA3 GLY A 1 -8.680 -7.215 -8.024 1.00 13.55 H new ATOM 57 N VAL A 2 -5.478 -7.044 -7.664 1.00 52.34 N ATOM 58 CA VAL A 2 -4.358 -6.223 -7.202 1.00 33.20 C ATOM 59 C VAL A 2 -3.118 -6.453 -8.083 1.00 63.10 C ATOM 60 O VAL A 2 -2.688 -7.594 -8.277 1.00 55.34 O ATOM 61 CB VAL A 2 -4.049 -6.473 -5.682 1.00 71.54 C ATOM 62 CG1 VAL A 2 -3.643 -7.921 -5.389 1.00 32.31 C ATOM 63 CG2 VAL A 2 -2.989 -5.504 -5.156 1.00 64.22 C ATOM 0 H VAL A 2 -5.277 -8.044 -7.694 1.00 52.34 H new ATOM 0 HA VAL A 2 -4.644 -5.176 -7.297 1.00 33.20 H new ATOM 0 HB VAL A 2 -4.983 -6.286 -5.152 1.00 71.54 H new ATOM 0 HG11 VAL A 2 -3.442 -8.034 -4.324 1.00 32.31 H new ATOM 0 HG12 VAL A 2 -4.452 -8.591 -5.679 1.00 32.31 H new ATOM 0 HG13 VAL A 2 -2.746 -8.169 -5.956 1.00 32.31 H new ATOM 0 HG21 VAL A 2 -2.802 -5.707 -4.102 1.00 64.22 H new ATOM 0 HG22 VAL A 2 -2.066 -5.634 -5.720 1.00 64.22 H new ATOM 0 HG23 VAL A 2 -3.344 -4.480 -5.271 1.00 64.22 H new ATOM 73 N GLN A 3 -2.565 -5.355 -8.609 1.00 54.51 N ATOM 74 CA GLN A 3 -1.376 -5.417 -9.466 1.00 12.04 C ATOM 75 C GLN A 3 -0.229 -4.670 -8.831 1.00 65.23 C ATOM 76 O GLN A 3 -0.421 -3.622 -8.226 1.00 65.11 O ATOM 77 CB GLN A 3 -1.619 -4.830 -10.848 1.00 73.14 C ATOM 78 CG GLN A 3 -3.071 -4.747 -11.209 1.00 31.23 C ATOM 79 CD GLN A 3 -3.591 -5.911 -12.024 1.00 1.13 C ATOM 80 OE1 GLN A 3 -2.872 -6.526 -12.818 1.00 52.13 O ATOM 81 NE2 GLN A 3 -4.865 -6.212 -11.828 1.00 15.44 N ATOM 0 H GLN A 3 -2.922 -4.412 -8.456 1.00 54.51 H new ATOM 0 HA GLN A 3 -1.135 -6.474 -9.576 1.00 12.04 H new ATOM 0 HB2 GLN A 3 -1.183 -3.832 -10.893 1.00 73.14 H new ATOM 0 HB3 GLN A 3 -1.101 -5.438 -11.590 1.00 73.14 H new ATOM 0 HG2 GLN A 3 -3.655 -4.675 -10.292 1.00 31.23 H new ATOM 0 HG3 GLN A 3 -3.240 -3.827 -11.768 1.00 31.23 H new ATOM 0 HE21 GLN A 3 -5.419 -5.675 -11.161 1.00 15.44 H new ATOM 0 HE22 GLN A 3 -5.293 -6.981 -12.344 1.00 15.44 H new ATOM 90 N VAL A 4 0.954 -5.223 -8.976 1.00 15.11 N ATOM 91 CA VAL A 4 2.170 -4.618 -8.429 1.00 21.25 C ATOM 92 C VAL A 4 3.236 -4.495 -9.524 1.00 0.04 C ATOM 93 O VAL A 4 3.603 -5.488 -10.158 1.00 62.43 O ATOM 94 CB VAL A 4 2.698 -5.413 -7.197 1.00 41.33 C ATOM 95 CG1 VAL A 4 4.038 -4.881 -6.693 1.00 50.31 C ATOM 96 CG2 VAL A 4 1.678 -5.382 -6.071 1.00 13.43 C ATOM 0 H VAL A 4 1.111 -6.100 -9.472 1.00 15.11 H new ATOM 0 HA VAL A 4 1.928 -3.616 -8.076 1.00 21.25 H new ATOM 0 HB VAL A 4 2.853 -6.441 -7.525 1.00 41.33 H new ATOM 0 HG11 VAL A 4 4.363 -5.468 -5.834 1.00 50.31 H new ATOM 0 HG12 VAL A 4 4.781 -4.957 -7.487 1.00 50.31 H new ATOM 0 HG13 VAL A 4 3.928 -3.837 -6.398 1.00 50.31 H new ATOM 0 HG21 VAL A 4 2.061 -5.941 -5.218 1.00 13.43 H new ATOM 0 HG22 VAL A 4 1.494 -4.349 -5.775 1.00 13.43 H new ATOM 0 HG23 VAL A 4 0.746 -5.833 -6.412 1.00 13.43 H new ATOM 106 N GLU A 5 3.719 -3.265 -9.728 1.00 43.11 N ATOM 107 CA GLU A 5 4.739 -2.981 -10.745 1.00 1.02 C ATOM 108 C GLU A 5 6.005 -2.444 -10.089 1.00 74.44 C ATOM 109 O GLU A 5 5.974 -1.404 -9.427 1.00 42.12 O ATOM 110 CB GLU A 5 4.233 -1.956 -11.789 1.00 22.54 C ATOM 111 CG GLU A 5 2.716 -1.895 -11.966 1.00 62.44 C ATOM 112 CD GLU A 5 2.160 -3.065 -12.760 1.00 45.30 C ATOM 113 OE1 GLU A 5 2.080 -2.955 -14.002 1.00 72.23 O ATOM 114 OE2 GLU A 5 1.804 -4.089 -12.140 1.00 20.43 O ATOM 0 H GLU A 5 3.419 -2.446 -9.200 1.00 43.11 H new ATOM 0 HA GLU A 5 4.957 -3.918 -11.257 1.00 1.02 H new ATOM 0 HB2 GLU A 5 4.589 -0.966 -11.503 1.00 22.54 H new ATOM 0 HB3 GLU A 5 4.685 -2.191 -12.753 1.00 22.54 H new ATOM 0 HG2 GLU A 5 2.243 -1.872 -10.984 1.00 62.44 H new ATOM 0 HG3 GLU A 5 2.452 -0.965 -12.469 1.00 62.44 H new ATOM 121 N THR A 6 7.121 -3.156 -10.291 1.00 42.11 N ATOM 122 CA THR A 6 8.416 -2.765 -9.723 1.00 74.15 C ATOM 123 C THR A 6 9.037 -1.616 -10.522 1.00 12.12 C ATOM 124 O THR A 6 9.222 -1.716 -11.738 1.00 51.21 O ATOM 125 CB THR A 6 9.397 -3.967 -9.674 1.00 0.24 C ATOM 126 OG1 THR A 6 8.717 -5.132 -9.189 1.00 2.23 O ATOM 127 CG2 THR A 6 10.605 -3.686 -8.775 1.00 50.35 C ATOM 0 H THR A 6 7.152 -4.011 -10.847 1.00 42.11 H new ATOM 0 HA THR A 6 8.236 -2.427 -8.702 1.00 74.15 H new ATOM 0 HB THR A 6 9.758 -4.132 -10.689 1.00 0.24 H new ATOM 0 HG1 THR A 6 9.341 -5.887 -9.162 1.00 2.23 H new ATOM 0 HG21 THR A 6 11.265 -4.554 -8.770 1.00 50.35 H new ATOM 0 HG22 THR A 6 11.147 -2.820 -9.154 1.00 50.35 H new ATOM 0 HG23 THR A 6 10.264 -3.484 -7.760 1.00 50.35 H new ATOM 135 N ILE A 7 9.349 -0.537 -9.806 1.00 11.44 N ATOM 136 CA ILE A 7 9.943 0.658 -10.406 1.00 72.43 C ATOM 137 C ILE A 7 11.419 0.770 -10.017 1.00 45.55 C ATOM 138 O ILE A 7 12.258 1.138 -10.845 1.00 31.04 O ATOM 139 CB ILE A 7 9.187 1.957 -9.992 1.00 21.20 C ATOM 140 CG1 ILE A 7 7.677 1.673 -9.845 1.00 42.50 C ATOM 141 CG2 ILE A 7 9.433 3.066 -11.024 1.00 0.24 C ATOM 142 CD1 ILE A 7 6.901 2.712 -9.050 1.00 14.43 C ATOM 0 H ILE A 7 9.199 -0.466 -8.800 1.00 11.44 H new ATOM 0 HA ILE A 7 9.858 0.554 -11.488 1.00 72.43 H new ATOM 0 HB ILE A 7 9.568 2.294 -9.028 1.00 21.20 H new ATOM 0 HG12 ILE A 7 7.239 1.597 -10.840 1.00 42.50 H new ATOM 0 HG13 ILE A 7 7.550 0.702 -9.366 1.00 42.50 H new ATOM 0 HG21 ILE A 7 8.900 3.968 -10.723 1.00 0.24 H new ATOM 0 HG22 ILE A 7 10.501 3.278 -11.082 1.00 0.24 H new ATOM 0 HG23 ILE A 7 9.074 2.741 -12.000 1.00 0.24 H new ATOM 0 HD11 ILE A 7 5.851 2.424 -9.003 1.00 14.43 H new ATOM 0 HD12 ILE A 7 7.306 2.774 -8.040 1.00 14.43 H new ATOM 0 HD13 ILE A 7 6.989 3.683 -9.537 1.00 14.43 H new ATOM 154 N SER A 8 11.719 0.450 -8.753 1.00 5.12 N ATOM 155 CA SER A 8 13.083 0.502 -8.238 1.00 32.42 C ATOM 156 C SER A 8 13.423 -0.795 -7.494 1.00 21.20 C ATOM 157 O SER A 8 12.766 -1.125 -6.503 1.00 31.34 O ATOM 158 CB SER A 8 13.260 1.705 -7.309 1.00 74.32 C ATOM 159 OG SER A 8 14.630 1.955 -7.045 1.00 64.33 O ATOM 0 H SER A 8 11.026 0.151 -8.067 1.00 5.12 H new ATOM 0 HA SER A 8 13.765 0.611 -9.081 1.00 32.42 H new ATOM 0 HB2 SER A 8 12.808 2.587 -7.763 1.00 74.32 H new ATOM 0 HB3 SER A 8 12.734 1.524 -6.372 1.00 74.32 H new ATOM 0 HG SER A 8 14.713 2.730 -6.451 1.00 64.33 H new ATOM 165 N PRO A 9 14.457 -1.557 -7.961 1.00 51.01 N ATOM 166 CA PRO A 9 14.862 -2.825 -7.321 1.00 23.32 C ATOM 167 C PRO A 9 15.553 -2.629 -5.964 1.00 51.21 C ATOM 168 O PRO A 9 16.488 -1.830 -5.843 1.00 32.12 O ATOM 169 CB PRO A 9 15.825 -3.441 -8.344 1.00 21.35 C ATOM 170 CG PRO A 9 16.384 -2.284 -9.097 1.00 44.13 C ATOM 171 CD PRO A 9 15.292 -1.257 -9.154 1.00 61.42 C ATOM 0 HA PRO A 9 14.001 -3.452 -7.089 1.00 23.32 H new ATOM 0 HB2 PRO A 9 16.614 -4.008 -7.851 1.00 21.35 H new ATOM 0 HB3 PRO A 9 15.305 -4.130 -9.009 1.00 21.35 H new ATOM 0 HG2 PRO A 9 17.268 -1.886 -8.599 1.00 44.13 H new ATOM 0 HG3 PRO A 9 16.690 -2.583 -10.099 1.00 44.13 H new ATOM 0 HD2 PRO A 9 15.693 -0.244 -9.116 1.00 61.42 H new ATOM 0 HD3 PRO A 9 14.716 -1.337 -10.076 1.00 61.42 H new ATOM 179 N GLY A 10 15.074 -3.367 -4.956 1.00 11.52 N ATOM 180 CA GLY A 10 15.636 -3.284 -3.616 1.00 4.35 C ATOM 181 C GLY A 10 16.618 -4.406 -3.338 1.00 44.33 C ATOM 182 O GLY A 10 17.614 -4.547 -4.053 1.00 23.33 O ATOM 0 H GLY A 10 14.300 -4.025 -5.049 1.00 11.52 H new ATOM 0 HA2 GLY A 10 16.138 -2.325 -3.493 1.00 4.35 H new ATOM 0 HA3 GLY A 10 14.830 -3.318 -2.883 1.00 4.35 H new ATOM 186 N ASP A 11 16.339 -5.206 -2.297 1.00 12.02 N ATOM 187 CA ASP A 11 17.198 -6.337 -1.930 1.00 21.40 C ATOM 188 C ASP A 11 16.859 -7.577 -2.766 1.00 61.45 C ATOM 189 O ASP A 11 17.757 -8.245 -3.286 1.00 53.40 O ATOM 190 CB ASP A 11 17.065 -6.651 -0.436 1.00 15.33 C ATOM 191 CG ASP A 11 17.796 -5.648 0.437 1.00 54.04 C ATOM 192 OD1 ASP A 11 19.045 -5.662 0.437 1.00 2.54 O ATOM 193 OD2 ASP A 11 17.120 -4.852 1.122 1.00 3.25 O ATOM 0 H ASP A 11 15.524 -5.088 -1.695 1.00 12.02 H new ATOM 0 HA ASP A 11 18.231 -6.057 -2.138 1.00 21.40 H new ATOM 0 HB2 ASP A 11 16.010 -6.664 -0.163 1.00 15.33 H new ATOM 0 HB3 ASP A 11 17.456 -7.650 -0.242 1.00 15.33 H new ATOM 198 N GLY A 12 15.555 -7.871 -2.882 1.00 11.03 N ATOM 199 CA GLY A 12 15.089 -9.016 -3.664 1.00 21.20 C ATOM 200 C GLY A 12 15.079 -10.325 -2.885 1.00 63.51 C ATOM 201 O GLY A 12 14.689 -11.364 -3.425 1.00 45.41 O ATOM 0 H GLY A 12 14.809 -7.330 -2.444 1.00 11.03 H new ATOM 0 HA2 GLY A 12 14.082 -8.811 -4.027 1.00 21.20 H new ATOM 0 HA3 GLY A 12 15.727 -9.130 -4.541 1.00 21.20 H new ATOM 205 N ARG A 13 15.507 -10.269 -1.618 1.00 44.41 N ATOM 206 CA ARG A 13 15.559 -11.454 -0.751 1.00 43.15 C ATOM 207 C ARG A 13 15.038 -11.150 0.663 1.00 71.41 C ATOM 208 O ARG A 13 15.015 -12.036 1.526 1.00 75.24 O ATOM 209 CB ARG A 13 16.999 -12.024 -0.693 1.00 13.14 C ATOM 210 CG ARG A 13 18.087 -11.004 -0.350 1.00 22.33 C ATOM 211 CD ARG A 13 19.477 -11.606 -0.478 1.00 60.10 C ATOM 212 NE ARG A 13 20.528 -10.638 -0.147 1.00 42.52 N ATOM 213 CZ ARG A 13 21.839 -10.917 -0.112 1.00 33.40 C ATOM 214 NH1 ARG A 13 22.292 -12.139 -0.387 1.00 20.42 N ATOM 215 NH2 ARG A 13 22.703 -9.961 0.201 1.00 61.14 N ATOM 0 H ARG A 13 15.824 -9.411 -1.168 1.00 44.41 H new ATOM 0 HA ARG A 13 14.902 -12.208 -1.186 1.00 43.15 H new ATOM 0 HB2 ARG A 13 17.027 -12.824 0.046 1.00 13.14 H new ATOM 0 HB3 ARG A 13 17.235 -12.473 -1.658 1.00 13.14 H new ATOM 0 HG2 ARG A 13 18.001 -10.142 -1.012 1.00 22.33 H new ATOM 0 HG3 ARG A 13 17.939 -10.641 0.667 1.00 22.33 H new ATOM 0 HD2 ARG A 13 19.560 -12.470 0.181 1.00 60.10 H new ATOM 0 HD3 ARG A 13 19.624 -11.966 -1.496 1.00 60.10 H new ATOM 0 HE ARG A 13 20.241 -9.684 0.072 1.00 42.52 H new ATOM 0 HH11 ARG A 13 21.638 -12.883 -0.630 1.00 20.42 H new ATOM 0 HH12 ARG A 13 23.293 -12.331 -0.355 1.00 20.42 H new ATOM 0 HH21 ARG A 13 22.369 -9.021 0.413 1.00 61.14 H new ATOM 0 HH22 ARG A 13 23.702 -10.166 0.230 1.00 61.14 H new ATOM 229 N THR A 14 14.610 -9.901 0.886 1.00 42.14 N ATOM 230 CA THR A 14 14.101 -9.477 2.183 1.00 3.41 C ATOM 231 C THR A 14 12.666 -8.954 2.047 1.00 32.20 C ATOM 232 O THR A 14 12.443 -7.775 1.749 1.00 15.22 O ATOM 233 CB THR A 14 15.018 -8.395 2.810 1.00 43.13 C ATOM 234 OG1 THR A 14 16.394 -8.700 2.545 1.00 71.40 O ATOM 235 CG2 THR A 14 14.814 -8.290 4.317 1.00 52.24 C ATOM 0 H THR A 14 14.609 -9.168 0.177 1.00 42.14 H new ATOM 0 HA THR A 14 14.095 -10.341 2.847 1.00 3.41 H new ATOM 0 HB THR A 14 14.752 -7.440 2.357 1.00 43.13 H new ATOM 0 HG1 THR A 14 16.965 -8.010 2.943 1.00 71.40 H new ATOM 0 HG21 THR A 14 15.473 -7.522 4.721 1.00 52.24 H new ATOM 0 HG22 THR A 14 13.778 -8.025 4.526 1.00 52.24 H new ATOM 0 HG23 THR A 14 15.045 -9.248 4.783 1.00 52.24 H new ATOM 243 N PHE A 15 11.704 -9.854 2.250 1.00 33.20 N ATOM 244 CA PHE A 15 10.285 -9.511 2.160 1.00 11.33 C ATOM 245 C PHE A 15 9.663 -9.383 3.554 1.00 41.44 C ATOM 246 O PHE A 15 10.099 -10.066 4.485 1.00 72.11 O ATOM 247 CB PHE A 15 9.525 -10.567 1.351 1.00 23.11 C ATOM 248 CG PHE A 15 9.962 -10.672 -0.085 1.00 12.42 C ATOM 249 CD1 PHE A 15 9.231 -10.059 -1.089 1.00 65.13 C ATOM 250 CD2 PHE A 15 11.102 -11.383 -0.429 1.00 33.25 C ATOM 251 CE1 PHE A 15 9.628 -10.151 -2.409 1.00 21.24 C ATOM 252 CE2 PHE A 15 11.505 -11.478 -1.746 1.00 12.41 C ATOM 253 CZ PHE A 15 10.767 -10.862 -2.738 1.00 50.43 C ATOM 0 H PHE A 15 11.883 -10.832 2.479 1.00 33.20 H new ATOM 0 HA PHE A 15 10.207 -8.550 1.652 1.00 11.33 H new ATOM 0 HB2 PHE A 15 9.652 -11.538 1.830 1.00 23.11 H new ATOM 0 HB3 PHE A 15 8.460 -10.335 1.380 1.00 23.11 H new ATOM 0 HD1 PHE A 15 8.340 -9.503 -0.837 1.00 65.13 H new ATOM 0 HD2 PHE A 15 11.681 -11.868 0.343 1.00 33.25 H new ATOM 0 HE1 PHE A 15 9.049 -9.668 -3.183 1.00 21.24 H new ATOM 0 HE2 PHE A 15 12.396 -12.033 -2.000 1.00 12.41 H new ATOM 0 HZ PHE A 15 11.079 -10.936 -3.769 1.00 50.43 H new ATOM 263 N PRO A 16 8.627 -8.505 3.724 1.00 13.34 N ATOM 264 CA PRO A 16 7.956 -8.312 5.023 1.00 31.25 C ATOM 265 C PRO A 16 7.189 -9.555 5.490 1.00 31.31 C ATOM 266 O PRO A 16 6.347 -10.091 4.762 1.00 15.10 O ATOM 267 CB PRO A 16 6.997 -7.135 4.785 1.00 64.23 C ATOM 268 CG PRO A 16 6.844 -7.009 3.304 1.00 2.14 C ATOM 269 CD PRO A 16 8.062 -7.626 2.672 1.00 35.24 C ATOM 0 HA PRO A 16 8.681 -8.122 5.815 1.00 31.25 H new ATOM 0 HB2 PRO A 16 6.033 -7.317 5.261 1.00 64.23 H new ATOM 0 HB3 PRO A 16 7.396 -6.216 5.214 1.00 64.23 H new ATOM 0 HG2 PRO A 16 5.939 -7.515 2.967 1.00 2.14 H new ATOM 0 HG3 PRO A 16 6.750 -5.962 3.015 1.00 2.14 H new ATOM 0 HD2 PRO A 16 7.800 -8.194 1.779 1.00 35.24 H new ATOM 0 HD3 PRO A 16 8.778 -6.864 2.366 1.00 35.24 H new HETATM 277 N MLY A 17 7.505 -10.000 6.712 1.00 65.54 N HETATM 278 CA MLY A 17 6.881 -11.185 7.312 1.00 1.40 C HETATM 279 CB MLY A 17 7.879 -11.898 8.237 1.00 3.13 C HETATM 280 CG MLY A 17 9.166 -12.333 7.544 1.00 4.51 C HETATM 281 CD MLY A 17 10.061 -13.149 8.470 1.00 62.24 C HETATM 282 CE MLY A 17 11.231 -12.326 9.003 1.00 72.30 C HETATM 283 NZ MLY A 17 12.329 -12.317 8.020 1.00 51.13 N HETATM 284 CH1 MLY A 17 13.518 -12.962 8.601 1.00 21.43 C HETATM 285 CH2 MLY A 17 12.656 -10.929 7.661 1.00 4.23 C HETATM 286 C MLY A 17 5.614 -10.821 8.088 1.00 62.13 C HETATM 287 O MLY A 17 5.423 -9.666 8.481 1.00 41.31 O HETATM 0 HH23 MLY A 17 11.778 -10.449 7.229 1.00 4.23 H new HETATM 0 HH22 MLY A 17 12.964 -10.385 8.554 1.00 4.23 H new HETATM 0 HH21 MLY A 17 13.468 -10.923 6.934 1.00 4.23 H new HETATM 0 HH13 MLY A 17 13.827 -12.418 9.494 1.00 21.43 H new HETATM 0 HH12 MLY A 17 13.280 -13.992 8.868 1.00 21.43 H new HETATM 0 HH11 MLY A 17 14.329 -12.954 7.872 1.00 21.43 H new HETATM 0 HG3 MLY A 17 8.921 -12.924 6.661 1.00 4.51 H new HETATM 0 HG2 MLY A 17 9.708 -11.453 7.198 1.00 4.51 H new HETATM 0 HE3 MLY A 17 10.906 -11.306 9.207 1.00 72.30 H new HETATM 0 HE2 MLY A 17 11.580 -12.744 9.947 1.00 72.30 H new HETATM 0 HD3 MLY A 17 9.471 -13.525 9.306 1.00 62.24 H new HETATM 0 HD2 MLY A 17 10.443 -14.017 7.933 1.00 62.24 H new HETATM 0 HB3 MLY A 17 8.130 -11.234 9.064 1.00 3.13 H new HETATM 0 HB2 MLY A 17 7.396 -12.775 8.668 1.00 3.13 H new HETATM 0 HA MLY A 17 6.596 -11.857 6.502 1.00 1.40 H new HETATM 0 H MLY A 17 8.471 -9.763 6.937 1.00 65.54 H new ATOM 304 N ARG A 18 4.757 -11.830 8.301 1.00 75.42 N ATOM 305 CA ARG A 18 3.490 -11.666 9.018 1.00 34.53 C ATOM 306 C ARG A 18 3.709 -11.593 10.538 1.00 50.25 C ATOM 307 O ARG A 18 4.309 -12.496 11.130 1.00 2.04 O ATOM 308 CB ARG A 18 2.557 -12.833 8.656 1.00 61.11 C ATOM 309 CG ARG A 18 1.090 -12.614 9.011 1.00 12.50 C ATOM 310 CD ARG A 18 0.235 -13.801 8.592 1.00 23.10 C ATOM 311 NE ARG A 18 -1.162 -13.650 9.013 1.00 72.31 N ATOM 312 CZ ARG A 18 -2.215 -14.177 8.370 1.00 24.01 C ATOM 313 NH1 ARG A 18 -2.055 -14.901 7.263 1.00 2.12 N ATOM 314 NH2 ARG A 18 -3.437 -13.975 8.841 1.00 35.44 N ATOM 0 H ARG A 18 4.926 -12.783 7.979 1.00 75.42 H new ATOM 0 HA ARG A 18 3.032 -10.724 8.716 1.00 34.53 H new ATOM 0 HB2 ARG A 18 2.633 -13.021 7.585 1.00 61.11 H new ATOM 0 HB3 ARG A 18 2.909 -13.731 9.163 1.00 61.11 H new ATOM 0 HG2 ARG A 18 0.994 -12.455 10.085 1.00 12.50 H new ATOM 0 HG3 ARG A 18 0.726 -11.711 8.521 1.00 12.50 H new ATOM 0 HD2 ARG A 18 0.277 -13.913 7.509 1.00 23.10 H new ATOM 0 HD3 ARG A 18 0.646 -14.714 9.023 1.00 23.10 H new ATOM 0 HE ARG A 18 -1.346 -13.105 9.855 1.00 72.31 H new ATOM 0 HH11 ARG A 18 -1.119 -15.063 6.890 1.00 2.12 H new ATOM 0 HH12 ARG A 18 -2.868 -15.293 6.788 1.00 2.12 H new ATOM 0 HH21 ARG A 18 -3.572 -13.422 9.687 1.00 35.44 H new ATOM 0 HH22 ARG A 18 -4.242 -14.373 8.357 1.00 35.44 H new ATOM 328 N GLY A 19 3.217 -10.505 11.149 1.00 24.02 N ATOM 329 CA GLY A 19 3.350 -10.321 12.588 1.00 64.12 C ATOM 330 C GLY A 19 4.237 -9.146 12.970 1.00 64.12 C ATOM 331 O GLY A 19 4.097 -8.596 14.066 1.00 0.22 O ATOM 0 H GLY A 19 2.729 -9.750 10.668 1.00 24.02 H new ATOM 0 HA2 GLY A 19 2.360 -10.175 13.021 1.00 64.12 H new ATOM 0 HA3 GLY A 19 3.758 -11.232 13.027 1.00 64.12 H new ATOM 335 N GLN A 20 5.147 -8.764 12.067 1.00 1.30 N ATOM 336 CA GLN A 20 6.072 -7.652 12.310 1.00 31.02 C ATOM 337 C GLN A 20 5.597 -6.380 11.604 1.00 45.43 C ATOM 338 O GLN A 20 4.797 -6.444 10.665 1.00 32.11 O ATOM 339 CB GLN A 20 7.507 -8.015 11.869 1.00 72.14 C ATOM 340 CG GLN A 20 7.599 -8.824 10.575 1.00 0.44 C ATOM 341 CD GLN A 20 8.730 -8.364 9.683 1.00 23.22 C ATOM 342 OE1 GLN A 20 9.854 -8.857 9.778 1.00 53.30 O ATOM 343 NE2 GLN A 20 8.436 -7.412 8.808 1.00 33.54 N ATOM 0 H GLN A 20 5.263 -9.211 11.157 1.00 1.30 H new ATOM 0 HA GLN A 20 6.086 -7.461 13.383 1.00 31.02 H new ATOM 0 HB2 GLN A 20 8.077 -7.094 11.746 1.00 72.14 H new ATOM 0 HB3 GLN A 20 7.985 -8.581 12.669 1.00 72.14 H new ATOM 0 HG2 GLN A 20 7.738 -9.877 10.818 1.00 0.44 H new ATOM 0 HG3 GLN A 20 6.657 -8.744 10.032 1.00 0.44 H new ATOM 0 HE21 GLN A 20 7.490 -7.033 8.765 1.00 33.54 H new ATOM 0 HE22 GLN A 20 9.156 -7.059 8.178 1.00 33.54 H new ATOM 352 N THR A 21 6.102 -5.225 12.067 1.00 41.53 N ATOM 353 CA THR A 21 5.737 -3.923 11.496 1.00 5.30 C ATOM 354 C THR A 21 6.522 -3.638 10.216 1.00 73.13 C ATOM 355 O THR A 21 7.689 -4.022 10.094 1.00 42.40 O ATOM 356 CB THR A 21 5.976 -2.762 12.490 1.00 62.42 C ATOM 357 OG1 THR A 21 6.167 -3.263 13.821 1.00 0.54 O ATOM 358 CG2 THR A 21 4.801 -1.793 12.480 1.00 71.14 C ATOM 0 H THR A 21 6.767 -5.169 12.839 1.00 41.53 H new ATOM 0 HA THR A 21 4.672 -3.981 11.271 1.00 5.30 H new ATOM 0 HB THR A 21 6.877 -2.236 12.174 1.00 62.42 H new ATOM 0 HG1 THR A 21 6.318 -2.514 14.434 1.00 0.54 H new ATOM 0 HG21 THR A 21 4.990 -0.984 13.186 1.00 71.14 H new ATOM 0 HG22 THR A 21 4.679 -1.379 11.479 1.00 71.14 H new ATOM 0 HG23 THR A 21 3.892 -2.321 12.768 1.00 71.14 H new ATOM 366 N CYS A 22 5.862 -2.964 9.274 1.00 42.51 N ATOM 367 CA CYS A 22 6.465 -2.614 7.995 1.00 32.11 C ATOM 368 C CYS A 22 6.412 -1.107 7.775 1.00 1.42 C ATOM 369 O CYS A 22 5.329 -0.516 7.686 1.00 21.41 O ATOM 370 CB CYS A 22 5.752 -3.345 6.854 1.00 52.32 C ATOM 371 SG CYS A 22 5.650 -5.136 7.077 1.00 70.12 S ATOM 0 H CYS A 22 4.898 -2.648 9.379 1.00 42.51 H new ATOM 0 HA CYS A 22 7.510 -2.924 8.008 1.00 32.11 H new ATOM 0 HB2 CYS A 22 4.743 -2.944 6.754 1.00 52.32 H new ATOM 0 HB3 CYS A 22 6.273 -3.135 5.920 1.00 52.32 H new ATOM 0 HG CYS A 22 4.677 -5.417 7.892 1.00 70.12 H new ATOM 377 N VAL A 23 7.595 -0.494 7.702 1.00 22.12 N ATOM 378 CA VAL A 23 7.721 0.953 7.490 1.00 41.54 C ATOM 379 C VAL A 23 7.814 1.250 5.993 1.00 42.33 C ATOM 380 O VAL A 23 8.816 0.923 5.347 1.00 53.12 O ATOM 381 CB VAL A 23 8.964 1.547 8.219 1.00 23.33 C ATOM 382 CG1 VAL A 23 8.912 3.072 8.250 1.00 63.04 C ATOM 383 CG2 VAL A 23 9.110 0.976 9.627 1.00 4.23 C ATOM 0 H VAL A 23 8.488 -0.980 7.787 1.00 22.12 H new ATOM 0 HA VAL A 23 6.833 1.425 7.912 1.00 41.54 H new ATOM 0 HB VAL A 23 9.846 1.254 7.650 1.00 23.33 H new ATOM 0 HG11 VAL A 23 9.793 3.456 8.765 1.00 63.04 H new ATOM 0 HG12 VAL A 23 8.892 3.456 7.230 1.00 63.04 H new ATOM 0 HG13 VAL A 23 8.014 3.395 8.777 1.00 63.04 H new ATOM 0 HG21 VAL A 23 9.986 1.411 10.107 1.00 4.23 H new ATOM 0 HG22 VAL A 23 8.221 1.215 10.210 1.00 4.23 H new ATOM 0 HG23 VAL A 23 9.227 -0.106 9.570 1.00 4.23 H new ATOM 393 N VAL A 24 6.757 1.863 5.450 1.00 14.00 N ATOM 394 CA VAL A 24 6.704 2.198 4.023 1.00 22.54 C ATOM 395 C VAL A 24 5.919 3.488 3.782 1.00 24.45 C ATOM 396 O VAL A 24 4.998 3.818 4.535 1.00 4.04 O ATOM 397 CB VAL A 24 6.091 1.050 3.144 1.00 30.52 C ATOM 398 CG1 VAL A 24 6.970 -0.190 3.152 1.00 13.53 C ATOM 399 CG2 VAL A 24 4.683 0.664 3.585 1.00 42.42 C ATOM 0 H VAL A 24 5.927 2.137 5.976 1.00 14.00 H new ATOM 0 HA VAL A 24 7.741 2.336 3.717 1.00 22.54 H new ATOM 0 HB VAL A 24 6.037 1.450 2.132 1.00 30.52 H new ATOM 0 HG11 VAL A 24 6.514 -0.963 2.533 1.00 13.53 H new ATOM 0 HG12 VAL A 24 7.954 0.059 2.755 1.00 13.53 H new ATOM 0 HG13 VAL A 24 7.073 -0.556 4.173 1.00 13.53 H new ATOM 0 HG21 VAL A 24 4.307 -0.133 2.944 1.00 42.42 H new ATOM 0 HG22 VAL A 24 4.707 0.318 4.618 1.00 42.42 H new ATOM 0 HG23 VAL A 24 4.027 1.531 3.508 1.00 42.42 H new ATOM 409 N HIS A 25 6.302 4.201 2.724 1.00 54.10 N ATOM 410 CA HIS A 25 5.641 5.441 2.329 1.00 74.10 C ATOM 411 C HIS A 25 4.699 5.154 1.160 1.00 33.22 C ATOM 412 O HIS A 25 5.124 4.602 0.138 1.00 41.11 O ATOM 413 CB HIS A 25 6.692 6.480 1.933 1.00 2.24 C ATOM 414 CG HIS A 25 7.097 7.405 3.040 1.00 65.32 C ATOM 415 ND1 HIS A 25 6.256 8.330 3.616 1.00 75.02 N ATOM 416 CD2 HIS A 25 8.293 7.543 3.672 1.00 75.31 C ATOM 417 CE1 HIS A 25 6.952 8.986 4.556 1.00 31.32 C ATOM 418 NE2 HIS A 25 8.191 8.546 4.629 1.00 4.31 N ATOM 0 H HIS A 25 7.078 3.935 2.118 1.00 54.10 H new ATOM 0 HA HIS A 25 5.061 5.838 3.163 1.00 74.10 H new ATOM 0 HB2 HIS A 25 7.578 5.961 1.567 1.00 2.24 H new ATOM 0 HB3 HIS A 25 6.305 7.073 1.104 1.00 2.24 H new ATOM 0 HD2 HIS A 25 9.181 6.965 3.464 1.00 75.31 H new ATOM 0 HE1 HIS A 25 6.548 9.774 5.174 1.00 31.32 H new ATOM 0 HE2 HIS A 25 8.924 8.873 5.258 1.00 4.31 H new ATOM 426 N TYR A 26 3.425 5.523 1.317 1.00 62.35 N ATOM 427 CA TYR A 26 2.419 5.275 0.283 1.00 21.44 C ATOM 428 C TYR A 26 1.835 6.566 -0.298 1.00 74.34 C ATOM 429 O TYR A 26 2.018 7.654 0.257 1.00 64.11 O ATOM 430 CB TYR A 26 1.303 4.369 0.842 1.00 4.12 C ATOM 431 CG TYR A 26 0.390 5.011 1.870 1.00 41.22 C ATOM 432 CD1 TYR A 26 0.669 4.940 3.228 1.00 24.15 C ATOM 433 CD2 TYR A 26 -0.760 5.676 1.469 1.00 5.22 C ATOM 434 CE1 TYR A 26 -0.179 5.516 4.158 1.00 73.10 C ATOM 435 CE2 TYR A 26 -1.606 6.256 2.387 1.00 12.01 C ATOM 436 CZ TYR A 26 -1.314 6.174 3.731 1.00 12.10 C ATOM 437 OH TYR A 26 -2.159 6.749 4.652 1.00 1.22 O ATOM 0 H TYR A 26 3.067 5.993 2.148 1.00 62.35 H new ATOM 0 HA TYR A 26 2.919 4.767 -0.542 1.00 21.44 H new ATOM 0 HB2 TYR A 26 0.693 4.019 0.009 1.00 4.12 H new ATOM 0 HB3 TYR A 26 1.765 3.490 1.291 1.00 4.12 H new ATOM 0 HD1 TYR A 26 1.559 4.429 3.563 1.00 24.15 H new ATOM 0 HD2 TYR A 26 -0.996 5.740 0.417 1.00 5.22 H new ATOM 0 HE1 TYR A 26 0.047 5.451 5.212 1.00 73.10 H new ATOM 0 HE2 TYR A 26 -2.494 6.773 2.055 1.00 12.01 H new ATOM 0 HH TYR A 26 -2.910 7.173 4.187 1.00 1.22 H new ATOM 447 N THR A 27 1.130 6.410 -1.427 1.00 54.44 N ATOM 448 CA THR A 27 0.475 7.516 -2.119 1.00 13.54 C ATOM 449 C THR A 27 -0.789 7.002 -2.819 1.00 42.43 C ATOM 450 O THR A 27 -0.706 6.227 -3.779 1.00 34.01 O ATOM 451 CB THR A 27 1.418 8.186 -3.158 1.00 41.24 C ATOM 452 OG1 THR A 27 2.756 8.247 -2.647 1.00 5.33 O ATOM 453 CG2 THR A 27 0.954 9.596 -3.502 1.00 10.41 C ATOM 0 H THR A 27 1.001 5.507 -1.884 1.00 54.44 H new ATOM 0 HA THR A 27 0.212 8.270 -1.377 1.00 13.54 H new ATOM 0 HB THR A 27 1.393 7.578 -4.062 1.00 41.24 H new ATOM 0 HG1 THR A 27 3.341 8.669 -3.311 1.00 5.33 H new ATOM 0 HG21 THR A 27 1.635 10.036 -4.231 1.00 10.41 H new ATOM 0 HG22 THR A 27 -0.051 9.556 -3.923 1.00 10.41 H new ATOM 0 HG23 THR A 27 0.945 10.207 -2.599 1.00 10.41 H new ATOM 461 N GLY A 28 -1.952 7.435 -2.319 1.00 62.24 N ATOM 462 CA GLY A 28 -3.225 7.013 -2.894 1.00 22.33 C ATOM 463 C GLY A 28 -3.774 8.011 -3.899 1.00 23.41 C ATOM 464 O GLY A 28 -4.035 9.167 -3.556 1.00 74.50 O ATOM 0 H GLY A 28 -2.034 8.071 -1.526 1.00 62.24 H new ATOM 0 HA2 GLY A 28 -3.096 6.046 -3.381 1.00 22.33 H new ATOM 0 HA3 GLY A 28 -3.952 6.872 -2.094 1.00 22.33 H new ATOM 468 N MET A 29 -3.949 7.546 -5.139 1.00 72.23 N ATOM 469 CA MET A 29 -4.456 8.376 -6.236 1.00 35.31 C ATOM 470 C MET A 29 -5.603 7.689 -6.957 1.00 35.15 C ATOM 471 O MET A 29 -5.506 6.512 -7.315 1.00 40.34 O ATOM 472 CB MET A 29 -3.329 8.677 -7.231 1.00 63.22 C ATOM 473 CG MET A 29 -2.293 9.667 -6.722 1.00 23.45 C ATOM 474 SD MET A 29 -0.759 9.633 -7.678 1.00 60.11 S ATOM 475 CE MET A 29 0.013 8.126 -7.078 1.00 24.43 C ATOM 0 H MET A 29 -3.744 6.585 -5.411 1.00 72.23 H new ATOM 0 HA MET A 29 -4.826 9.309 -5.810 1.00 35.31 H new ATOM 0 HB2 MET A 29 -2.828 7.744 -7.487 1.00 63.22 H new ATOM 0 HB3 MET A 29 -3.766 9.067 -8.150 1.00 63.22 H new ATOM 0 HG2 MET A 29 -2.713 10.673 -6.753 1.00 23.45 H new ATOM 0 HG3 MET A 29 -2.070 9.447 -5.678 1.00 23.45 H new ATOM 0 HE1 MET A 29 1.038 8.071 -7.445 1.00 24.43 H new ATOM 0 HE2 MET A 29 0.018 8.129 -5.988 1.00 24.43 H new ATOM 0 HE3 MET A 29 -0.547 7.263 -7.436 1.00 24.43 H new ATOM 485 N LEU A 30 -6.696 8.443 -7.162 1.00 40.05 N ATOM 486 CA LEU A 30 -7.889 7.947 -7.868 1.00 32.04 C ATOM 487 C LEU A 30 -7.555 7.445 -9.282 1.00 0.41 C ATOM 488 O LEU A 30 -6.441 7.655 -9.773 1.00 4.33 O ATOM 489 CB LEU A 30 -8.941 9.066 -7.959 1.00 20.24 C ATOM 490 CG LEU A 30 -9.891 9.189 -6.763 1.00 42.34 C ATOM 491 CD1 LEU A 30 -10.523 10.571 -6.727 1.00 34.14 C ATOM 492 CD2 LEU A 30 -10.972 8.117 -6.816 1.00 0.13 C ATOM 0 H LEU A 30 -6.777 9.409 -6.845 1.00 40.05 H new ATOM 0 HA LEU A 30 -8.281 7.105 -7.298 1.00 32.04 H new ATOM 0 HB2 LEU A 30 -8.423 10.016 -8.086 1.00 20.24 H new ATOM 0 HB3 LEU A 30 -9.537 8.906 -8.857 1.00 20.24 H new ATOM 0 HG LEU A 30 -9.310 9.045 -5.852 1.00 42.34 H new ATOM 0 HD11 LEU A 30 -11.195 10.642 -5.872 1.00 34.14 H new ATOM 0 HD12 LEU A 30 -9.742 11.326 -6.638 1.00 34.14 H new ATOM 0 HD13 LEU A 30 -11.086 10.738 -7.645 1.00 34.14 H new ATOM 0 HD21 LEU A 30 -11.634 8.225 -5.957 1.00 0.13 H new ATOM 0 HD22 LEU A 30 -11.549 8.227 -7.734 1.00 0.13 H new ATOM 0 HD23 LEU A 30 -10.508 7.131 -6.795 1.00 0.13 H new ATOM 504 N GLU A 31 -8.535 6.786 -9.930 1.00 10.33 N ATOM 505 CA GLU A 31 -8.380 6.256 -11.292 1.00 40.43 C ATOM 506 C GLU A 31 -7.971 7.348 -12.293 1.00 13.34 C ATOM 507 O GLU A 31 -7.351 7.059 -13.321 1.00 3.22 O ATOM 508 CB GLU A 31 -9.689 5.608 -11.736 1.00 23.24 C ATOM 509 CG GLU A 31 -9.486 4.362 -12.569 1.00 62.31 C ATOM 510 CD GLU A 31 -10.791 3.710 -12.982 1.00 4.43 C ATOM 511 OE1 GLU A 31 -11.329 4.082 -14.046 1.00 71.15 O ATOM 512 OE2 GLU A 31 -11.274 2.828 -12.242 1.00 72.00 O ATOM 0 H GLU A 31 -9.453 6.608 -9.522 1.00 10.33 H new ATOM 0 HA GLU A 31 -7.581 5.515 -11.274 1.00 40.43 H new ATOM 0 HB2 GLU A 31 -10.279 5.356 -10.855 1.00 23.24 H new ATOM 0 HB3 GLU A 31 -10.268 6.331 -12.311 1.00 23.24 H new ATOM 0 HG2 GLU A 31 -8.914 4.617 -13.461 1.00 62.31 H new ATOM 0 HG3 GLU A 31 -8.891 3.645 -12.003 1.00 62.31 H new ATOM 519 N ASP A 32 -8.330 8.596 -11.971 1.00 34.23 N ATOM 520 CA ASP A 32 -8.005 9.750 -12.805 1.00 2.24 C ATOM 521 C ASP A 32 -6.647 10.358 -12.426 1.00 23.33 C ATOM 522 O ASP A 32 -6.072 11.117 -13.214 1.00 53.30 O ATOM 523 CB ASP A 32 -9.100 10.810 -12.678 1.00 52.51 C ATOM 524 CG ASP A 32 -10.371 10.427 -13.413 1.00 32.21 C ATOM 525 OD1 ASP A 32 -10.495 10.776 -14.606 1.00 41.21 O ATOM 526 OD2 ASP A 32 -11.241 9.779 -12.795 1.00 44.13 O ATOM 0 H ASP A 32 -8.852 8.830 -11.127 1.00 34.23 H new ATOM 0 HA ASP A 32 -7.943 9.407 -13.838 1.00 2.24 H new ATOM 0 HB2 ASP A 32 -9.328 10.967 -11.624 1.00 52.51 H new ATOM 0 HB3 ASP A 32 -8.730 11.758 -13.069 1.00 52.51 H new ATOM 531 N GLY A 33 -6.138 10.025 -11.225 1.00 51.42 N ATOM 532 CA GLY A 33 -4.845 10.542 -10.791 1.00 4.22 C ATOM 533 C GLY A 33 -4.955 11.623 -9.733 1.00 24.43 C ATOM 534 O GLY A 33 -3.975 12.323 -9.460 1.00 35.01 O ATOM 0 H GLY A 33 -6.600 9.410 -10.554 1.00 51.42 H new ATOM 0 HA2 GLY A 33 -4.246 9.720 -10.399 1.00 4.22 H new ATOM 0 HA3 GLY A 33 -4.313 10.941 -11.654 1.00 4.22 H new HETATM 538 N MLY A 34 -6.147 11.762 -9.136 1.00 33.34 N HETATM 539 CA MLY A 34 -6.382 12.759 -8.094 1.00 10.41 C HETATM 540 CB MLY A 34 -7.819 13.295 -8.166 1.00 31.10 C HETATM 541 CG MLY A 34 -8.074 14.223 -9.347 1.00 32.53 C HETATM 542 CD MLY A 34 -8.966 15.390 -8.956 1.00 45.44 C HETATM 543 CE MLY A 34 -9.570 16.065 -10.179 1.00 24.42 C HETATM 544 NZ MLY A 34 -10.268 17.299 -9.778 1.00 25.53 N HETATM 545 CH1 MLY A 34 -11.689 17.204 -10.146 1.00 63.25 C HETATM 546 CH2 MLY A 34 -9.663 18.453 -10.461 1.00 35.50 C HETATM 547 C MLY A 34 -6.114 12.146 -6.724 1.00 13.44 C HETATM 548 O MLY A 34 -6.808 11.210 -6.308 1.00 42.22 O HETATM 0 HH23 MLY A 34 -8.611 18.527 -10.187 1.00 35.50 H new HETATM 0 HH22 MLY A 34 -9.749 18.323 -11.540 1.00 35.50 H new HETATM 0 HH21 MLY A 34 -10.181 19.365 -10.163 1.00 35.50 H new HETATM 0 HH13 MLY A 34 -11.778 17.072 -11.224 1.00 63.25 H new HETATM 0 HH12 MLY A 34 -12.140 16.352 -9.638 1.00 63.25 H new HETATM 0 HH11 MLY A 34 -12.204 18.118 -9.849 1.00 63.25 H new HETATM 0 HG3 MLY A 34 -7.124 14.601 -9.726 1.00 32.53 H new HETATM 0 HG2 MLY A 34 -8.540 13.663 -10.157 1.00 32.53 H new HETATM 0 HE3 MLY A 34 -8.787 16.298 -10.900 1.00 24.42 H new HETATM 0 HE2 MLY A 34 -10.266 15.387 -10.672 1.00 24.42 H new HETATM 0 HD3 MLY A 34 -9.764 15.036 -8.303 1.00 45.44 H new HETATM 0 HD2 MLY A 34 -8.387 16.117 -8.387 1.00 45.44 H new HETATM 0 HB3 MLY A 34 -8.508 12.452 -8.223 1.00 31.10 H new HETATM 0 HB2 MLY A 34 -8.044 13.828 -7.242 1.00 31.10 H new HETATM 0 HA MLY A 34 -5.701 13.595 -8.252 1.00 10.41 H new HETATM 0 H MLY A 34 -6.895 11.515 -9.783 1.00 33.34 H new HETATM 565 N MLY A 35 -5.091 12.667 -6.030 1.00 11.11 N HETATM 566 CA MLY A 35 -4.712 12.161 -4.712 1.00 61.33 C HETATM 567 CB MLY A 35 -3.429 12.804 -4.215 1.00 75.25 C HETATM 568 CG MLY A 35 -2.454 11.783 -3.673 1.00 53.41 C HETATM 569 CD MLY A 35 -1.440 12.413 -2.734 1.00 45.12 C HETATM 570 CE MLY A 35 -0.207 12.854 -3.493 1.00 62.43 C HETATM 571 NZ MLY A 35 0.740 13.547 -2.597 1.00 22.02 N HETATM 572 CH1 MLY A 35 0.874 14.953 -3.015 1.00 0.41 C HETATM 573 CH2 MLY A 35 2.058 12.897 -2.665 1.00 55.25 C HETATM 574 C MLY A 35 -5.794 12.357 -3.671 1.00 41.14 C HETATM 575 O MLY A 35 -6.551 13.332 -3.706 1.00 10.14 O HETATM 0 HH23 MLY A 35 1.967 11.856 -2.356 1.00 55.25 H new HETATM 0 HH22 MLY A 35 2.433 12.940 -3.688 1.00 55.25 H new HETATM 0 HH21 MLY A 35 2.753 13.413 -2.002 1.00 55.25 H new HETATM 0 HH13 MLY A 35 1.247 14.994 -4.038 1.00 0.41 H new HETATM 0 HH12 MLY A 35 -0.099 15.442 -2.963 1.00 0.41 H new HETATM 0 HH11 MLY A 35 1.573 15.464 -2.353 1.00 0.41 H new HETATM 0 HG3 MLY A 35 -3.002 11.002 -3.145 1.00 53.41 H new HETATM 0 HG2 MLY A 35 -1.933 11.303 -4.501 1.00 53.41 H new HETATM 0 HE3 MLY A 35 0.278 11.988 -3.942 1.00 62.43 H new HETATM 0 HE2 MLY A 35 -0.494 13.517 -4.309 1.00 62.43 H new HETATM 0 HD3 MLY A 35 -1.888 13.269 -2.229 1.00 45.12 H new HETATM 0 HD2 MLY A 35 -1.160 11.698 -1.961 1.00 45.12 H new HETATM 0 HB3 MLY A 35 -2.960 13.355 -5.031 1.00 75.25 H new HETATM 0 HB2 MLY A 35 -3.665 13.528 -3.436 1.00 75.25 H new HETATM 0 HA MLY A 35 -4.558 11.090 -4.847 1.00 61.33 H new HETATM 0 H MLY A 35 -4.511 13.366 -6.494 1.00 11.11 H new ATOM 592 N PHE A 36 -5.840 11.404 -2.749 1.00 13.53 N ATOM 593 CA PHE A 36 -6.800 11.417 -1.664 1.00 33.32 C ATOM 594 C PHE A 36 -6.127 11.114 -0.322 1.00 4.15 C ATOM 595 O PHE A 36 -6.717 11.374 0.730 1.00 61.44 O ATOM 596 CB PHE A 36 -7.950 10.423 -1.946 1.00 44.41 C ATOM 597 CG PHE A 36 -7.537 8.992 -2.217 1.00 74.11 C ATOM 598 CD1 PHE A 36 -7.487 8.510 -3.514 1.00 13.01 C ATOM 599 CD2 PHE A 36 -7.226 8.131 -1.174 1.00 2.42 C ATOM 600 CE1 PHE A 36 -7.137 7.197 -3.769 1.00 1.12 C ATOM 601 CE2 PHE A 36 -6.870 6.819 -1.422 1.00 50.31 C ATOM 602 CZ PHE A 36 -6.827 6.350 -2.722 1.00 32.03 C ATOM 0 H PHE A 36 -5.210 10.602 -2.736 1.00 13.53 H new ATOM 0 HA PHE A 36 -7.223 12.420 -1.599 1.00 33.32 H new ATOM 0 HB2 PHE A 36 -8.627 10.430 -1.092 1.00 44.41 H new ATOM 0 HB3 PHE A 36 -8.516 10.786 -2.804 1.00 44.41 H new ATOM 0 HD1 PHE A 36 -7.724 9.168 -4.337 1.00 13.01 H new ATOM 0 HD2 PHE A 36 -7.263 8.491 -0.156 1.00 2.42 H new ATOM 0 HE1 PHE A 36 -7.106 6.834 -4.786 1.00 1.12 H new ATOM 0 HE2 PHE A 36 -6.626 6.161 -0.601 1.00 50.31 H new ATOM 0 HZ PHE A 36 -6.552 5.324 -2.919 1.00 32.03 H new ATOM 612 N ASP A 37 -4.879 10.582 -0.360 1.00 71.54 N ATOM 613 CA ASP A 37 -4.150 10.223 0.869 1.00 12.22 C ATOM 614 C ASP A 37 -2.644 10.094 0.627 1.00 5.44 C ATOM 615 O ASP A 37 -2.187 9.184 -0.075 1.00 15.20 O ATOM 616 CB ASP A 37 -4.677 8.901 1.467 1.00 35.30 C ATOM 617 CG ASP A 37 -5.923 9.087 2.313 1.00 41.23 C ATOM 618 OD1 ASP A 37 -5.783 9.368 3.522 1.00 70.34 O ATOM 619 OD2 ASP A 37 -7.037 8.951 1.766 1.00 70.24 O ATOM 0 H ASP A 37 -4.366 10.396 -1.222 1.00 71.54 H new ATOM 0 HA ASP A 37 -4.322 11.036 1.574 1.00 12.22 H new ATOM 0 HB2 ASP A 37 -4.895 8.204 0.658 1.00 35.30 H new ATOM 0 HB3 ASP A 37 -3.895 8.447 2.076 1.00 35.30 H new ATOM 624 N SER A 38 -1.890 11.032 1.201 1.00 35.14 N ATOM 625 CA SER A 38 -0.425 11.033 1.111 1.00 72.05 C ATOM 626 C SER A 38 0.207 10.872 2.494 1.00 61.33 C ATOM 627 O SER A 38 -0.019 11.696 3.388 1.00 53.42 O ATOM 628 CB SER A 38 0.086 12.322 0.462 1.00 1.53 C ATOM 629 OG SER A 38 -0.659 13.450 0.891 1.00 1.21 O ATOM 0 H SER A 38 -2.272 11.810 1.739 1.00 35.14 H new ATOM 0 HA SER A 38 -0.136 10.187 0.488 1.00 72.05 H new ATOM 0 HB2 SER A 38 1.138 12.463 0.710 1.00 1.53 H new ATOM 0 HB3 SER A 38 0.023 12.234 -0.623 1.00 1.53 H new ATOM 0 HG SER A 38 -0.671 14.124 0.180 1.00 1.21 H new ATOM 635 N SER A 39 0.992 9.796 2.665 1.00 34.10 N ATOM 636 CA SER A 39 1.681 9.517 3.937 1.00 3.40 C ATOM 637 C SER A 39 2.939 10.379 4.116 1.00 71.04 C ATOM 638 O SER A 39 3.261 10.791 5.234 1.00 14.42 O ATOM 639 CB SER A 39 2.063 8.039 4.014 1.00 71.12 C ATOM 640 OG SER A 39 2.833 7.654 2.891 1.00 65.25 O ATOM 0 H SER A 39 1.166 9.103 1.937 1.00 34.10 H new ATOM 0 HA SER A 39 0.987 9.766 4.740 1.00 3.40 H new ATOM 0 HB2 SER A 39 2.628 7.853 4.927 1.00 71.12 H new ATOM 0 HB3 SER A 39 1.161 7.429 4.067 1.00 71.12 H new ATOM 0 HG SER A 39 2.258 7.613 2.099 1.00 65.25 H new ATOM 646 N ARG A 40 3.636 10.641 3.001 1.00 52.53 N ATOM 647 CA ARG A 40 4.877 11.436 3.000 1.00 1.22 C ATOM 648 C ARG A 40 4.617 12.949 3.135 1.00 23.13 C ATOM 649 O ARG A 40 5.504 13.691 3.566 1.00 22.12 O ATOM 650 CB ARG A 40 5.695 11.151 1.728 1.00 50.10 C ATOM 651 CG ARG A 40 4.943 11.434 0.434 1.00 40.44 C ATOM 652 CD ARG A 40 5.888 11.776 -0.705 1.00 34.30 C ATOM 653 NE ARG A 40 5.175 11.972 -1.972 1.00 13.41 N ATOM 654 CZ ARG A 40 5.765 12.244 -3.146 1.00 54.32 C ATOM 655 NH1 ARG A 40 7.089 12.357 -3.242 1.00 24.54 N ATOM 656 NH2 ARG A 40 5.021 12.401 -4.232 1.00 51.01 N ATOM 0 H ARG A 40 3.359 10.310 2.077 1.00 52.53 H new ATOM 0 HA ARG A 40 5.447 11.130 3.878 1.00 1.22 H new ATOM 0 HB2 ARG A 40 6.602 11.754 1.749 1.00 50.10 H new ATOM 0 HB3 ARG A 40 6.007 10.106 1.735 1.00 50.10 H new ATOM 0 HG2 ARG A 40 4.347 10.563 0.162 1.00 40.44 H new ATOM 0 HG3 ARG A 40 4.249 12.259 0.590 1.00 40.44 H new ATOM 0 HD2 ARG A 40 6.442 12.682 -0.457 1.00 34.30 H new ATOM 0 HD3 ARG A 40 6.620 10.977 -0.821 1.00 34.30 H new ATOM 0 HE ARG A 40 4.158 11.896 -1.960 1.00 13.41 H new ATOM 0 HH11 ARG A 40 7.673 12.236 -2.414 1.00 24.54 H new ATOM 0 HH12 ARG A 40 7.519 12.564 -4.143 1.00 24.54 H new ATOM 0 HH21 ARG A 40 4.006 12.315 -4.172 1.00 51.01 H new ATOM 0 HH22 ARG A 40 5.463 12.608 -5.128 1.00 51.01 H new ATOM 670 N ASP A 41 3.403 13.397 2.758 1.00 23.13 N ATOM 671 CA ASP A 41 3.025 14.821 2.842 1.00 52.45 C ATOM 672 C ASP A 41 3.039 15.318 4.290 1.00 31.20 C ATOM 673 O ASP A 41 3.203 16.514 4.546 1.00 42.45 O ATOM 674 CB ASP A 41 1.644 15.047 2.224 1.00 64.34 C ATOM 675 CG ASP A 41 1.718 15.364 0.742 1.00 34.14 C ATOM 676 OD1 ASP A 41 1.351 16.494 0.358 1.00 51.32 O ATOM 677 OD2 ASP A 41 2.149 14.485 -0.035 1.00 2.32 O ATOM 0 H ASP A 41 2.667 12.792 2.392 1.00 23.13 H new ATOM 0 HA ASP A 41 3.764 15.392 2.280 1.00 52.45 H new ATOM 0 HB2 ASP A 41 1.033 14.157 2.372 1.00 64.34 H new ATOM 0 HB3 ASP A 41 1.146 15.866 2.743 1.00 64.34 H new ATOM 682 N ARG A 42 2.864 14.375 5.223 1.00 55.15 N ATOM 683 CA ARG A 42 2.888 14.665 6.657 1.00 51.54 C ATOM 684 C ARG A 42 4.307 14.458 7.203 1.00 4.45 C ATOM 685 O ARG A 42 4.561 14.632 8.400 1.00 25.12 O ATOM 686 CB ARG A 42 1.897 13.760 7.408 1.00 71.30 C ATOM 687 CG ARG A 42 0.451 13.903 6.946 1.00 51.14 C ATOM 688 CD ARG A 42 -0.525 13.234 7.906 1.00 2.40 C ATOM 689 NE ARG A 42 -0.471 11.768 7.827 1.00 12.24 N ATOM 690 CZ ARG A 42 -1.330 10.938 8.436 1.00 53.41 C ATOM 691 NH1 ARG A 42 -2.329 11.405 9.182 1.00 24.54 N ATOM 692 NH2 ARG A 42 -1.184 9.627 8.295 1.00 13.42 N ATOM 0 H ARG A 42 2.702 13.392 5.003 1.00 55.15 H new ATOM 0 HA ARG A 42 2.591 15.702 6.810 1.00 51.54 H new ATOM 0 HB2 ARG A 42 2.205 12.722 7.286 1.00 71.30 H new ATOM 0 HB3 ARG A 42 1.951 13.985 8.473 1.00 71.30 H new ATOM 0 HG2 ARG A 42 0.203 14.960 6.855 1.00 51.14 H new ATOM 0 HG3 ARG A 42 0.342 13.464 5.954 1.00 51.14 H new ATOM 0 HD2 ARG A 42 -0.301 13.549 8.925 1.00 2.40 H new ATOM 0 HD3 ARG A 42 -1.538 13.570 7.683 1.00 2.40 H new ATOM 0 HE ARG A 42 0.274 11.351 7.268 1.00 12.24 H new ATOM 0 HH11 ARG A 42 -2.451 12.411 9.298 1.00 24.54 H new ATOM 0 HH12 ARG A 42 -2.972 10.757 9.637 1.00 24.54 H new ATOM 0 HH21 ARG A 42 -0.422 9.257 7.726 1.00 13.42 H new ATOM 0 HH22 ARG A 42 -1.833 8.989 8.755 1.00 13.42 H new ATOM 706 N ASN A 43 5.235 14.092 6.286 1.00 54.33 N ATOM 707 CA ASN A 43 6.659 13.833 6.600 1.00 4.33 C ATOM 708 C ASN A 43 6.818 12.639 7.558 1.00 11.11 C ATOM 709 O ASN A 43 7.719 12.620 8.408 1.00 34.31 O ATOM 710 CB ASN A 43 7.345 15.093 7.174 1.00 24.02 C ATOM 711 CG ASN A 43 7.486 16.200 6.145 1.00 72.44 C ATOM 712 OD1 ASN A 43 6.603 17.046 6.002 1.00 40.11 O ATOM 713 ND2 ASN A 43 8.600 16.198 5.423 1.00 53.22 N ATOM 0 H ASN A 43 5.013 13.967 5.298 1.00 54.33 H new ATOM 0 HA ASN A 43 7.155 13.576 5.664 1.00 4.33 H new ATOM 0 HB2 ASN A 43 6.768 15.462 8.022 1.00 24.02 H new ATOM 0 HB3 ASN A 43 8.332 14.825 7.552 1.00 24.02 H new ATOM 0 HD21 ASN A 43 8.751 16.917 4.716 1.00 53.22 H new ATOM 0 HD22 ASN A 43 9.305 15.477 5.576 1.00 53.22 H new HETATM 720 N MLY A 44 5.945 11.627 7.395 1.00 34.54 N HETATM 721 CA MLY A 44 5.980 10.436 8.259 1.00 24.12 C HETATM 722 CB MLY A 44 5.079 10.631 9.482 1.00 25.45 C HETATM 723 CG MLY A 44 5.779 11.329 10.640 1.00 5.24 C HETATM 724 CD MLY A 44 4.799 12.107 11.509 1.00 1.13 C HETATM 725 CE MLY A 44 4.946 13.609 11.308 1.00 34.53 C HETATM 726 NZ MLY A 44 4.032 14.328 12.212 1.00 51.05 N HETATM 727 CH1 MLY A 44 3.103 15.151 11.422 1.00 12.22 C HETATM 728 CH2 MLY A 44 4.809 15.197 13.110 1.00 50.43 C HETATM 729 C MLY A 44 5.562 9.161 7.517 1.00 2.04 C HETATM 730 O MLY A 44 4.501 9.131 6.887 1.00 74.11 O HETATM 0 HH23 MLY A 44 5.497 14.590 13.698 1.00 50.43 H new HETATM 0 HH22 MLY A 44 5.375 15.917 12.519 1.00 50.43 H new HETATM 0 HH21 MLY A 44 4.131 15.728 13.778 1.00 50.43 H new HETATM 0 HH13 MLY A 44 3.668 15.871 10.830 1.00 12.22 H new HETATM 0 HH12 MLY A 44 2.524 14.510 10.757 1.00 12.22 H new HETATM 0 HH11 MLY A 44 2.427 15.682 12.092 1.00 12.22 H new HETATM 0 HG3 MLY A 44 6.297 10.589 11.250 1.00 5.24 H new HETATM 0 HG2 MLY A 44 6.537 12.008 10.250 1.00 5.24 H new HETATM 0 HE3 MLY A 44 5.975 13.911 11.501 1.00 34.53 H new HETATM 0 HE2 MLY A 44 4.727 13.869 10.273 1.00 34.53 H new HETATM 0 HD3 MLY A 44 3.779 11.805 11.269 1.00 1.13 H new HETATM 0 HD2 MLY A 44 4.966 11.861 12.558 1.00 1.13 H new HETATM 0 HB3 MLY A 44 4.204 11.213 9.191 1.00 25.45 H new HETATM 0 HB2 MLY A 44 4.718 9.659 9.817 1.00 25.45 H new HETATM 0 HA MLY A 44 7.015 10.313 8.578 1.00 24.12 H new ATOM 747 N PRO A 45 6.402 8.080 7.581 1.00 62.03 N ATOM 748 CA PRO A 45 6.103 6.789 6.930 1.00 10.31 C ATOM 749 C PRO A 45 5.016 5.993 7.662 1.00 72.54 C ATOM 750 O PRO A 45 4.774 6.212 8.853 1.00 63.34 O ATOM 751 CB PRO A 45 7.442 6.045 6.965 1.00 65.23 C ATOM 752 CG PRO A 45 8.202 6.636 8.106 1.00 52.33 C ATOM 753 CD PRO A 45 7.718 8.052 8.270 1.00 64.14 C ATOM 0 HA PRO A 45 5.710 6.928 5.923 1.00 10.31 H new ATOM 0 HB2 PRO A 45 7.292 4.975 7.107 1.00 65.23 H new ATOM 0 HB3 PRO A 45 7.984 6.169 6.027 1.00 65.23 H new ATOM 0 HG2 PRO A 45 8.035 6.063 9.018 1.00 52.33 H new ATOM 0 HG3 PRO A 45 9.274 6.615 7.908 1.00 52.33 H new ATOM 0 HD2 PRO A 45 7.620 8.318 9.322 1.00 64.14 H new ATOM 0 HD3 PRO A 45 8.414 8.763 7.825 1.00 64.14 H new ATOM 761 N PHE A 46 4.374 5.074 6.935 1.00 52.43 N ATOM 762 CA PHE A 46 3.297 4.255 7.489 1.00 12.42 C ATOM 763 C PHE A 46 3.790 2.865 7.911 1.00 54.51 C ATOM 764 O PHE A 46 4.278 2.086 7.085 1.00 73.33 O ATOM 765 CB PHE A 46 2.167 4.134 6.461 1.00 50.23 C ATOM 766 CG PHE A 46 0.826 3.787 7.054 1.00 55.12 C ATOM 767 CD1 PHE A 46 -0.010 4.775 7.552 1.00 52.33 C ATOM 768 CD2 PHE A 46 0.408 2.469 7.114 1.00 4.32 C ATOM 769 CE1 PHE A 46 -1.238 4.451 8.098 1.00 34.13 C ATOM 770 CE2 PHE A 46 -0.817 2.139 7.658 1.00 4.13 C ATOM 771 CZ PHE A 46 -1.642 3.130 8.151 1.00 10.44 C ATOM 0 H PHE A 46 4.585 4.879 5.956 1.00 52.43 H new ATOM 0 HA PHE A 46 2.925 4.748 8.387 1.00 12.42 H new ATOM 0 HB2 PHE A 46 2.080 5.077 5.921 1.00 50.23 H new ATOM 0 HB3 PHE A 46 2.436 3.372 5.730 1.00 50.23 H new ATOM 0 HD1 PHE A 46 0.302 5.808 7.513 1.00 52.33 H new ATOM 0 HD2 PHE A 46 1.048 1.689 6.730 1.00 4.32 H new ATOM 0 HE1 PHE A 46 -1.881 5.229 8.483 1.00 34.13 H new ATOM 0 HE2 PHE A 46 -1.130 1.106 7.698 1.00 4.13 H new ATOM 0 HZ PHE A 46 -2.601 2.874 8.577 1.00 10.44 H new HETATM 781 N MLY A 47 3.661 2.585 9.212 1.00 21.12 N HETATM 782 CA MLY A 47 4.056 1.297 9.793 1.00 63.34 C HETATM 783 CB MLY A 47 4.908 1.524 11.049 1.00 43.31 C HETATM 784 CG MLY A 47 5.855 2.704 10.917 1.00 32.35 C HETATM 785 CD MLY A 47 6.845 2.793 12.054 1.00 72.20 C HETATM 786 CE MLY A 47 8.039 3.619 11.623 1.00 42.23 C HETATM 787 NZ MLY A 47 8.969 3.806 12.749 1.00 35.31 N HETATM 788 CH1 MLY A 47 8.978 5.223 13.152 1.00 43.20 C HETATM 789 CH2 MLY A 47 10.323 3.408 12.340 1.00 74.45 C HETATM 790 C MLY A 47 2.818 0.476 10.143 1.00 63.22 C HETATM 791 O MLY A 47 1.879 0.997 10.752 1.00 51.34 O HETATM 0 HH23 MLY A 47 10.320 2.359 12.043 1.00 74.45 H new HETATM 0 HH22 MLY A 47 10.644 4.022 11.499 1.00 74.45 H new HETATM 0 HH21 MLY A 47 11.011 3.547 13.174 1.00 74.45 H new HETATM 0 HH13 MLY A 47 9.299 5.838 12.311 1.00 43.20 H new HETATM 0 HH12 MLY A 47 7.975 5.521 13.458 1.00 43.20 H new HETATM 0 HH11 MLY A 47 9.667 5.360 13.986 1.00 43.20 H new HETATM 0 HG3 MLY A 47 6.398 2.624 9.975 1.00 32.35 H new HETATM 0 HG2 MLY A 47 5.275 3.626 10.874 1.00 32.35 H new HETATM 0 HE3 MLY A 47 8.552 3.125 10.798 1.00 42.23 H new HETATM 0 HE2 MLY A 47 7.704 4.589 11.255 1.00 42.23 H new HETATM 0 HD3 MLY A 47 6.373 3.245 12.926 1.00 72.20 H new HETATM 0 HD2 MLY A 47 7.168 1.794 12.348 1.00 72.20 H new HETATM 0 HB3 MLY A 47 4.251 1.686 11.903 1.00 43.31 H new HETATM 0 HB2 MLY A 47 5.485 0.623 11.258 1.00 43.31 H new HETATM 0 HA MLY A 47 4.647 0.748 9.060 1.00 63.34 H new HETATM 0 H MLY A 47 3.959 3.456 9.652 1.00 21.12 H new ATOM 808 N PHE A 48 2.823 -0.810 9.757 1.00 63.04 N ATOM 809 CA PHE A 48 1.688 -1.713 10.019 1.00 23.12 C ATOM 810 C PHE A 48 2.145 -3.174 10.156 1.00 45.43 C ATOM 811 O PHE A 48 3.261 -3.520 9.761 1.00 53.22 O ATOM 812 CB PHE A 48 0.633 -1.584 8.892 1.00 60.34 C ATOM 813 CG PHE A 48 1.097 -2.064 7.535 1.00 23.12 C ATOM 814 CD1 PHE A 48 1.879 -1.258 6.721 1.00 65.44 C ATOM 815 CD2 PHE A 48 0.750 -3.327 7.086 1.00 64.54 C ATOM 816 CE1 PHE A 48 2.304 -1.705 5.484 1.00 53.32 C ATOM 817 CE2 PHE A 48 1.171 -3.779 5.852 1.00 73.33 C ATOM 818 CZ PHE A 48 1.949 -2.967 5.049 1.00 3.21 C ATOM 0 H PHE A 48 3.600 -1.249 9.262 1.00 63.04 H new ATOM 0 HA PHE A 48 1.239 -1.417 10.967 1.00 23.12 H new ATOM 0 HB2 PHE A 48 -0.255 -2.148 9.178 1.00 60.34 H new ATOM 0 HB3 PHE A 48 0.334 -0.539 8.810 1.00 60.34 H new ATOM 0 HD1 PHE A 48 2.159 -0.271 7.057 1.00 65.44 H new ATOM 0 HD2 PHE A 48 0.142 -3.966 7.709 1.00 64.54 H new ATOM 0 HE1 PHE A 48 2.913 -1.069 4.859 1.00 53.32 H new ATOM 0 HE2 PHE A 48 0.893 -4.766 5.514 1.00 73.33 H new ATOM 0 HZ PHE A 48 2.279 -3.319 4.083 1.00 3.21 H new ATOM 828 N MET A 49 1.268 -4.022 10.713 1.00 33.23 N ATOM 829 CA MET A 49 1.560 -5.445 10.881 1.00 71.14 C ATOM 830 C MET A 49 0.748 -6.277 9.896 1.00 22.43 C ATOM 831 O MET A 49 -0.449 -6.038 9.708 1.00 41.24 O ATOM 832 CB MET A 49 1.251 -5.906 12.307 1.00 22.35 C ATOM 833 CG MET A 49 2.407 -5.746 13.277 1.00 60.11 C ATOM 834 SD MET A 49 2.689 -4.029 13.741 1.00 51.55 S ATOM 835 CE MET A 49 3.595 -4.245 15.268 1.00 63.41 C ATOM 0 H MET A 49 0.349 -3.741 11.054 1.00 33.23 H new ATOM 0 HA MET A 49 2.623 -5.588 10.687 1.00 71.14 H new ATOM 0 HB2 MET A 49 0.396 -5.343 12.682 1.00 22.35 H new ATOM 0 HB3 MET A 49 0.955 -6.955 12.282 1.00 22.35 H new ATOM 0 HG2 MET A 49 2.208 -6.333 14.174 1.00 60.11 H new ATOM 0 HG3 MET A 49 3.313 -6.150 12.826 1.00 60.11 H new ATOM 0 HE1 MET A 49 3.845 -3.269 15.684 1.00 63.41 H new ATOM 0 HE2 MET A 49 2.981 -4.796 15.980 1.00 63.41 H new ATOM 0 HE3 MET A 49 4.511 -4.802 15.072 1.00 63.41 H new ATOM 845 N LEU A 50 1.414 -7.255 9.272 1.00 22.40 N ATOM 846 CA LEU A 50 0.779 -8.155 8.303 1.00 23.24 C ATOM 847 C LEU A 50 -0.016 -9.256 8.997 1.00 71.40 C ATOM 848 O LEU A 50 0.414 -9.791 10.023 1.00 63.44 O ATOM 849 CB LEU A 50 1.848 -8.797 7.400 1.00 74.22 C ATOM 850 CG LEU A 50 2.081 -8.172 6.008 1.00 62.03 C ATOM 851 CD1 LEU A 50 0.788 -8.021 5.224 1.00 23.44 C ATOM 852 CD2 LEU A 50 2.818 -6.843 6.117 1.00 72.11 C ATOM 0 H LEU A 50 2.405 -7.444 9.424 1.00 22.40 H new ATOM 0 HA LEU A 50 0.092 -7.559 7.703 1.00 23.24 H new ATOM 0 HB2 LEU A 50 2.796 -8.780 7.938 1.00 74.22 H new ATOM 0 HB3 LEU A 50 1.581 -9.844 7.257 1.00 74.22 H new ATOM 0 HG LEU A 50 2.713 -8.863 5.450 1.00 62.03 H new ATOM 0 HD11 LEU A 50 1.002 -7.577 4.252 1.00 23.44 H new ATOM 0 HD12 LEU A 50 0.331 -9.001 5.083 1.00 23.44 H new ATOM 0 HD13 LEU A 50 0.102 -7.377 5.774 1.00 23.44 H new ATOM 0 HD21 LEU A 50 2.968 -6.427 5.121 1.00 72.11 H new ATOM 0 HD22 LEU A 50 2.229 -6.148 6.716 1.00 72.11 H new ATOM 0 HD23 LEU A 50 3.786 -7.002 6.593 1.00 72.11 H new ATOM 864 N GLY A 51 -1.180 -9.578 8.421 1.00 35.24 N ATOM 865 CA GLY A 51 -2.047 -10.612 8.973 1.00 71.31 C ATOM 866 C GLY A 51 -2.915 -10.119 10.126 1.00 50.01 C ATOM 867 O GLY A 51 -3.795 -10.845 10.597 1.00 31.34 O ATOM 0 H GLY A 51 -1.538 -9.135 7.575 1.00 35.24 H new ATOM 0 HA2 GLY A 51 -2.690 -10.997 8.182 1.00 71.31 H new ATOM 0 HA3 GLY A 51 -1.434 -11.444 9.319 1.00 71.31 H new HETATM 871 N MLY A 52 -2.659 -8.879 10.576 1.00 22.42 N HETATM 872 CA MLY A 52 -3.419 -8.262 11.671 1.00 50.33 C HETATM 873 CB MLY A 52 -2.556 -7.239 12.429 1.00 33.52 C HETATM 874 CG MLY A 52 -1.462 -7.847 13.305 1.00 64.24 C HETATM 875 CD MLY A 52 -2.033 -8.625 14.484 1.00 72.22 C HETATM 876 CE MLY A 52 -1.014 -8.776 15.604 1.00 30.34 C HETATM 877 NZ MLY A 52 -1.490 -9.766 16.585 1.00 33.24 N HETATM 878 CH1 MLY A 52 -1.625 -9.128 17.904 1.00 11.24 C HETATM 879 CH2 MLY A 52 -0.526 -10.874 16.676 1.00 42.22 C HETATM 880 C MLY A 52 -4.671 -7.573 11.136 1.00 12.24 C HETATM 881 O MLY A 52 -5.584 -7.241 11.897 1.00 14.32 O HETATM 0 HH23 MLY A 52 -0.426 -11.350 15.701 1.00 42.22 H new HETATM 0 HH22 MLY A 52 0.443 -10.488 16.992 1.00 42.22 H new HETATM 0 HH21 MLY A 52 -0.880 -11.606 17.402 1.00 42.22 H new HETATM 0 HH13 MLY A 52 -0.657 -8.740 18.221 1.00 11.24 H new HETATM 0 HH12 MLY A 52 -2.341 -8.308 17.840 1.00 11.24 H new HETATM 0 HH11 MLY A 52 -1.977 -9.862 18.629 1.00 11.24 H new HETATM 0 HG3 MLY A 52 -0.842 -8.510 12.701 1.00 64.24 H new HETATM 0 HG2 MLY A 52 -0.813 -7.053 13.676 1.00 64.24 H new HETATM 0 HE3 MLY A 52 -0.054 -9.090 15.194 1.00 30.34 H new HETATM 0 HE2 MLY A 52 -0.853 -7.815 16.093 1.00 30.34 H new HETATM 0 HD3 MLY A 52 -2.918 -8.114 14.863 1.00 72.22 H new HETATM 0 HD2 MLY A 52 -2.354 -9.611 14.148 1.00 72.22 H new HETATM 0 HB3 MLY A 52 -2.092 -6.569 11.705 1.00 33.52 H new HETATM 0 HB2 MLY A 52 -3.207 -6.629 13.056 1.00 33.52 H new HETATM 0 HA MLY A 52 -3.713 -9.055 12.358 1.00 50.33 H new HETATM 0 H MLY A 52 -1.690 -8.606 10.410 1.00 22.42 H new ATOM 898 N GLN A 53 -4.685 -7.359 9.806 1.00 64.22 N ATOM 899 CA GLN A 53 -5.808 -6.718 9.077 1.00 1.55 C ATOM 900 C GLN A 53 -5.927 -5.216 9.396 1.00 54.20 C ATOM 901 O GLN A 53 -7.009 -4.624 9.288 1.00 41.22 O ATOM 902 CB GLN A 53 -7.150 -7.445 9.336 1.00 51.25 C ATOM 903 CG GLN A 53 -7.174 -8.887 8.848 1.00 51.21 C ATOM 904 CD GLN A 53 -8.572 -9.474 8.828 1.00 32.32 C ATOM 905 OE1 GLN A 53 -9.283 -9.380 7.828 1.00 62.40 O ATOM 906 NE2 GLN A 53 -8.973 -10.084 9.937 1.00 1.32 N ATOM 0 H GLN A 53 -3.912 -7.627 9.197 1.00 64.22 H new ATOM 0 HA GLN A 53 -5.578 -6.809 8.015 1.00 1.55 H new ATOM 0 HB2 GLN A 53 -7.360 -7.430 10.406 1.00 51.25 H new ATOM 0 HB3 GLN A 53 -7.952 -6.892 8.846 1.00 51.25 H new ATOM 0 HG2 GLN A 53 -6.750 -8.934 7.845 1.00 51.21 H new ATOM 0 HG3 GLN A 53 -6.538 -9.495 9.492 1.00 51.21 H new ATOM 0 HE21 GLN A 53 -8.350 -10.139 10.743 1.00 1.32 H new ATOM 0 HE22 GLN A 53 -9.904 -10.498 9.983 1.00 1.32 H new ATOM 915 N GLU A 54 -4.791 -4.601 9.766 1.00 41.31 N ATOM 916 CA GLU A 54 -4.733 -3.161 10.081 1.00 72.24 C ATOM 917 C GLU A 54 -4.768 -2.324 8.800 1.00 75.25 C ATOM 918 O GLU A 54 -5.009 -1.114 8.840 1.00 34.30 O ATOM 919 CB GLU A 54 -3.458 -2.828 10.865 1.00 53.34 C ATOM 920 CG GLU A 54 -3.428 -3.402 12.271 1.00 11.31 C ATOM 921 CD GLU A 54 -2.189 -2.993 13.042 1.00 20.35 C ATOM 922 OE1 GLU A 54 -1.187 -3.737 12.993 1.00 44.02 O ATOM 923 OE2 GLU A 54 -2.220 -1.928 13.695 1.00 15.22 O ATOM 0 H GLU A 54 -3.895 -5.081 9.855 1.00 41.31 H new ATOM 0 HA GLU A 54 -5.604 -2.921 10.691 1.00 72.24 H new ATOM 0 HB2 GLU A 54 -2.596 -3.202 10.313 1.00 53.34 H new ATOM 0 HB3 GLU A 54 -3.353 -1.745 10.924 1.00 53.34 H new ATOM 0 HG2 GLU A 54 -4.314 -3.072 12.813 1.00 11.31 H new ATOM 0 HG3 GLU A 54 -3.475 -4.490 12.216 1.00 11.31 H new ATOM 930 N VAL A 55 -4.522 -2.997 7.673 1.00 22.22 N ATOM 931 CA VAL A 55 -4.508 -2.364 6.355 1.00 23.14 C ATOM 932 C VAL A 55 -5.463 -3.097 5.397 1.00 5.11 C ATOM 933 O VAL A 55 -6.140 -4.049 5.801 1.00 74.45 O ATOM 934 CB VAL A 55 -3.059 -2.297 5.769 1.00 71.05 C ATOM 935 CG1 VAL A 55 -2.208 -1.326 6.581 1.00 61.41 C ATOM 936 CG2 VAL A 55 -2.382 -3.670 5.716 1.00 43.13 C ATOM 0 H VAL A 55 -4.327 -3.998 7.650 1.00 22.22 H new ATOM 0 HA VAL A 55 -4.858 -1.338 6.468 1.00 23.14 H new ATOM 0 HB VAL A 55 -3.146 -1.941 4.742 1.00 71.05 H new ATOM 0 HG11 VAL A 55 -1.202 -1.288 6.164 1.00 61.41 H new ATOM 0 HG12 VAL A 55 -2.654 -0.332 6.544 1.00 61.41 H new ATOM 0 HG13 VAL A 55 -2.159 -1.663 7.616 1.00 61.41 H new ATOM 0 HG21 VAL A 55 -1.379 -3.566 5.301 1.00 43.13 H new ATOM 0 HG22 VAL A 55 -2.317 -4.083 6.723 1.00 43.13 H new ATOM 0 HG23 VAL A 55 -2.967 -4.340 5.086 1.00 43.13 H new ATOM 946 N ILE A 56 -5.514 -2.650 4.134 1.00 52.14 N ATOM 947 CA ILE A 56 -6.392 -3.259 3.123 1.00 1.25 C ATOM 948 C ILE A 56 -5.807 -4.562 2.562 1.00 22.44 C ATOM 949 O ILE A 56 -4.597 -4.795 2.648 1.00 40.42 O ATOM 950 CB ILE A 56 -6.732 -2.277 1.963 1.00 14.41 C ATOM 951 CG1 ILE A 56 -5.492 -1.494 1.473 1.00 4.24 C ATOM 952 CG2 ILE A 56 -7.829 -1.321 2.423 1.00 53.42 C ATOM 953 CD1 ILE A 56 -5.665 -0.836 0.112 1.00 34.03 C ATOM 0 H ILE A 56 -4.957 -1.869 3.788 1.00 52.14 H new ATOM 0 HA ILE A 56 -7.321 -3.498 3.640 1.00 1.25 H new ATOM 0 HB ILE A 56 -7.083 -2.862 1.113 1.00 14.41 H new ATOM 0 HG12 ILE A 56 -5.249 -0.726 2.207 1.00 4.24 H new ATOM 0 HG13 ILE A 56 -4.641 -2.174 1.429 1.00 4.24 H new ATOM 0 HG21 ILE A 56 -8.072 -0.630 1.615 1.00 53.42 H new ATOM 0 HG22 ILE A 56 -8.718 -1.891 2.693 1.00 53.42 H new ATOM 0 HG23 ILE A 56 -7.481 -0.758 3.289 1.00 53.42 H new ATOM 0 HD11 ILE A 56 -4.750 -0.308 -0.156 1.00 34.03 H new ATOM 0 HD12 ILE A 56 -5.876 -1.599 -0.637 1.00 34.03 H new ATOM 0 HD13 ILE A 56 -6.493 -0.128 0.153 1.00 34.03 H new ATOM 965 N ARG A 57 -6.685 -5.402 1.987 1.00 73.41 N ATOM 966 CA ARG A 57 -6.293 -6.702 1.413 1.00 3.13 C ATOM 967 C ARG A 57 -5.262 -6.540 0.289 1.00 73.31 C ATOM 968 O ARG A 57 -4.280 -7.285 0.231 1.00 3.15 O ATOM 969 CB ARG A 57 -7.533 -7.439 0.893 1.00 41.00 C ATOM 970 CG ARG A 57 -7.407 -8.954 0.936 1.00 54.31 C ATOM 971 CD ARG A 57 -8.731 -9.629 0.624 1.00 33.13 C ATOM 972 NE ARG A 57 -8.680 -11.077 0.854 1.00 45.05 N ATOM 973 CZ ARG A 57 -9.727 -11.906 0.738 1.00 12.11 C ATOM 974 NH1 ARG A 57 -10.931 -11.453 0.391 1.00 21.43 N ATOM 975 NH2 ARG A 57 -9.564 -13.201 0.971 1.00 4.55 N ATOM 0 H ARG A 57 -7.682 -5.201 1.907 1.00 73.41 H new ATOM 0 HA ARG A 57 -5.827 -7.289 2.204 1.00 3.13 H new ATOM 0 HB2 ARG A 57 -8.398 -7.138 1.484 1.00 41.00 H new ATOM 0 HB3 ARG A 57 -7.725 -7.128 -0.134 1.00 41.00 H new ATOM 0 HG2 ARG A 57 -6.653 -9.278 0.218 1.00 54.31 H new ATOM 0 HG3 ARG A 57 -7.062 -9.264 1.922 1.00 54.31 H new ATOM 0 HD2 ARG A 57 -9.515 -9.192 1.242 1.00 33.13 H new ATOM 0 HD3 ARG A 57 -9.000 -9.437 -0.415 1.00 33.13 H new ATOM 0 HE ARG A 57 -7.783 -11.482 1.122 1.00 45.05 H new ATOM 0 HH11 ARG A 57 -11.069 -10.459 0.208 1.00 21.43 H new ATOM 0 HH12 ARG A 57 -11.715 -12.100 0.308 1.00 21.43 H new ATOM 0 HH21 ARG A 57 -8.647 -13.560 1.236 1.00 4.55 H new ATOM 0 HH22 ARG A 57 -10.356 -13.838 0.885 1.00 4.55 H new ATOM 989 N GLY A 58 -5.502 -5.561 -0.596 1.00 75.12 N ATOM 990 CA GLY A 58 -4.588 -5.281 -1.704 1.00 3.21 C ATOM 991 C GLY A 58 -3.198 -4.838 -1.249 1.00 15.14 C ATOM 992 O GLY A 58 -2.237 -4.931 -2.018 1.00 21.04 O ATOM 0 H GLY A 58 -6.321 -4.953 -0.563 1.00 75.12 H new ATOM 0 HA2 GLY A 58 -4.492 -6.175 -2.321 1.00 3.21 H new ATOM 0 HA3 GLY A 58 -5.020 -4.504 -2.334 1.00 3.21 H new ATOM 996 N TRP A 59 -3.097 -4.355 0.005 1.00 34.52 N ATOM 997 CA TRP A 59 -1.816 -3.923 0.575 1.00 11.53 C ATOM 998 C TRP A 59 -1.045 -5.106 1.149 1.00 15.11 C ATOM 999 O TRP A 59 0.158 -5.222 0.933 1.00 30.32 O ATOM 1000 CB TRP A 59 -2.016 -2.870 1.674 1.00 30.13 C ATOM 1001 CG TRP A 59 -2.036 -1.437 1.188 1.00 24.41 C ATOM 1002 CD1 TRP A 59 -2.323 -0.983 -0.074 1.00 50.03 C ATOM 1003 CD2 TRP A 59 -1.751 -0.266 1.971 1.00 23.30 C ATOM 1004 NE1 TRP A 59 -2.242 0.386 -0.117 1.00 12.30 N ATOM 1005 CE2 TRP A 59 -1.892 0.850 1.123 1.00 64.24 C ATOM 1006 CE3 TRP A 59 -1.392 -0.051 3.307 1.00 10.45 C ATOM 1007 CZ2 TRP A 59 -1.690 2.153 1.567 1.00 44.24 C ATOM 1008 CZ3 TRP A 59 -1.192 1.243 3.745 1.00 4.50 C ATOM 1009 CH2 TRP A 59 -1.343 2.330 2.877 1.00 20.34 C ATOM 0 H TRP A 59 -3.890 -4.256 0.639 1.00 34.52 H new ATOM 0 HA TRP A 59 -1.241 -3.479 -0.238 1.00 11.53 H new ATOM 0 HB2 TRP A 59 -2.954 -3.077 2.189 1.00 30.13 H new ATOM 0 HB3 TRP A 59 -1.219 -2.978 2.409 1.00 30.13 H new ATOM 0 HD1 TRP A 59 -2.576 -1.613 -0.914 1.00 50.03 H new ATOM 0 HE1 TRP A 59 -2.415 0.964 -0.939 1.00 12.30 H new ATOM 0 HE3 TRP A 59 -1.273 -0.884 3.984 1.00 10.45 H new ATOM 0 HZ2 TRP A 59 -1.803 2.995 0.900 1.00 44.24 H new ATOM 0 HZ3 TRP A 59 -0.915 1.419 4.774 1.00 4.50 H new ATOM 0 HH2 TRP A 59 -1.182 3.331 3.250 1.00 20.34 H new ATOM 1020 N GLU A 60 -1.755 -5.990 1.870 1.00 64.02 N ATOM 1021 CA GLU A 60 -1.140 -7.177 2.489 1.00 11.50 C ATOM 1022 C GLU A 60 -0.641 -8.168 1.431 1.00 31.21 C ATOM 1023 O GLU A 60 0.403 -8.801 1.608 1.00 2.33 O ATOM 1024 CB GLU A 60 -2.131 -7.883 3.431 1.00 15.25 C ATOM 1025 CG GLU A 60 -2.648 -7.004 4.559 1.00 64.33 C ATOM 1026 CD GLU A 60 -3.314 -7.800 5.663 1.00 71.32 C ATOM 1027 OE1 GLU A 60 -4.476 -8.218 5.476 1.00 12.21 O ATOM 1028 OE2 GLU A 60 -2.674 -8.005 6.716 1.00 23.02 O ATOM 0 H GLU A 60 -2.757 -5.905 2.039 1.00 64.02 H new ATOM 0 HA GLU A 60 -0.285 -6.829 3.068 1.00 11.50 H new ATOM 0 HB2 GLU A 60 -2.978 -8.242 2.847 1.00 15.25 H new ATOM 0 HB3 GLU A 60 -1.646 -8.759 3.861 1.00 15.25 H new ATOM 0 HG2 GLU A 60 -1.819 -6.433 4.978 1.00 64.33 H new ATOM 0 HG3 GLU A 60 -3.360 -6.284 4.156 1.00 64.33 H new ATOM 1035 N GLU A 61 -1.403 -8.287 0.335 1.00 13.22 N ATOM 1036 CA GLU A 61 -1.056 -9.182 -0.775 1.00 4.04 C ATOM 1037 C GLU A 61 -0.082 -8.516 -1.756 1.00 23.14 C ATOM 1038 O GLU A 61 0.689 -9.204 -2.429 1.00 64.00 O ATOM 1039 CB GLU A 61 -2.322 -9.624 -1.523 1.00 12.20 C ATOM 1040 CG GLU A 61 -3.189 -10.620 -0.757 1.00 33.24 C ATOM 1041 CD GLU A 61 -2.663 -12.043 -0.830 1.00 73.22 C ATOM 1042 OE1 GLU A 61 -1.858 -12.424 0.045 1.00 24.44 O ATOM 1043 OE2 GLU A 61 -3.059 -12.775 -1.762 1.00 21.23 O ATOM 0 H GLU A 61 -2.271 -7.769 0.194 1.00 13.22 H new ATOM 0 HA GLU A 61 -0.564 -10.055 -0.347 1.00 4.04 H new ATOM 0 HB2 GLU A 61 -2.920 -8.742 -1.754 1.00 12.20 H new ATOM 0 HB3 GLU A 61 -2.031 -10.070 -2.474 1.00 12.20 H new ATOM 0 HG2 GLU A 61 -3.249 -10.314 0.287 1.00 33.24 H new ATOM 0 HG3 GLU A 61 -4.203 -10.592 -1.156 1.00 33.24 H new ATOM 1050 N GLY A 62 -0.126 -7.174 -1.821 1.00 2.32 N ATOM 1051 CA GLY A 62 0.739 -6.420 -2.725 1.00 34.53 C ATOM 1052 C GLY A 62 2.105 -6.083 -2.139 1.00 41.44 C ATOM 1053 O GLY A 62 3.127 -6.274 -2.805 1.00 71.54 O ATOM 0 H GLY A 62 -0.751 -6.597 -1.258 1.00 2.32 H new ATOM 0 HA2 GLY A 62 0.880 -6.995 -3.640 1.00 34.53 H new ATOM 0 HA3 GLY A 62 0.236 -5.494 -3.004 1.00 34.53 H new ATOM 1057 N VAL A 63 2.123 -5.580 -0.891 1.00 13.21 N ATOM 1058 CA VAL A 63 3.373 -5.199 -0.198 1.00 21.10 C ATOM 1059 C VAL A 63 4.298 -6.414 0.024 1.00 62.21 C ATOM 1060 O VAL A 63 5.518 -6.267 0.139 1.00 10.30 O ATOM 1061 CB VAL A 63 3.060 -4.486 1.159 1.00 1.44 C ATOM 1062 CG1 VAL A 63 2.762 -5.473 2.292 1.00 73.30 C ATOM 1063 CG2 VAL A 63 4.191 -3.542 1.549 1.00 1.13 C ATOM 0 H VAL A 63 1.281 -5.426 -0.336 1.00 13.21 H new ATOM 0 HA VAL A 63 3.903 -4.498 -0.843 1.00 21.10 H new ATOM 0 HB VAL A 63 2.152 -3.903 1.003 1.00 1.44 H new ATOM 0 HG11 VAL A 63 2.552 -4.922 3.209 1.00 73.30 H new ATOM 0 HG12 VAL A 63 1.896 -6.080 2.027 1.00 73.30 H new ATOM 0 HG13 VAL A 63 3.625 -6.120 2.447 1.00 73.30 H new ATOM 0 HG21 VAL A 63 3.951 -3.058 2.496 1.00 1.13 H new ATOM 0 HG22 VAL A 63 5.117 -4.108 1.655 1.00 1.13 H new ATOM 0 HG23 VAL A 63 4.316 -2.784 0.775 1.00 1.13 H new ATOM 1073 N ALA A 64 3.684 -7.600 0.080 1.00 31.45 N ATOM 1074 CA ALA A 64 4.403 -8.863 0.279 1.00 31.03 C ATOM 1075 C ALA A 64 5.130 -9.308 -0.997 1.00 33.41 C ATOM 1076 O ALA A 64 5.916 -10.261 -0.975 1.00 20.51 O ATOM 1077 CB ALA A 64 3.428 -9.937 0.737 1.00 31.20 C ATOM 0 H ALA A 64 2.674 -7.712 -0.011 1.00 31.45 H new ATOM 0 HA ALA A 64 5.161 -8.707 1.047 1.00 31.03 H new ATOM 0 HB1 ALA A 64 3.963 -10.875 0.885 1.00 31.20 H new ATOM 0 HB2 ALA A 64 2.965 -9.632 1.675 1.00 31.20 H new ATOM 0 HB3 ALA A 64 2.656 -10.075 -0.020 1.00 31.20 H new ATOM 1083 N GLN A 65 4.858 -8.599 -2.101 1.00 10.14 N ATOM 1084 CA GLN A 65 5.469 -8.889 -3.401 1.00 4.44 C ATOM 1085 C GLN A 65 6.752 -8.071 -3.608 1.00 1.34 C ATOM 1086 O GLN A 65 7.496 -8.308 -4.565 1.00 54.10 O ATOM 1087 CB GLN A 65 4.473 -8.589 -4.535 1.00 23.01 C ATOM 1088 CG GLN A 65 3.088 -9.199 -4.326 1.00 41.22 C ATOM 1089 CD GLN A 65 2.124 -8.932 -5.472 1.00 21.44 C ATOM 1090 OE1 GLN A 65 2.512 -8.886 -6.643 1.00 10.20 O ATOM 1091 NE2 GLN A 65 0.852 -8.745 -5.135 1.00 4.02 N ATOM 0 H GLN A 65 4.210 -7.811 -2.116 1.00 10.14 H new ATOM 0 HA GLN A 65 5.730 -9.947 -3.419 1.00 4.44 H new ATOM 0 HB2 GLN A 65 4.371 -7.509 -4.638 1.00 23.01 H new ATOM 0 HB3 GLN A 65 4.884 -8.961 -5.473 1.00 23.01 H new ATOM 0 HG2 GLN A 65 3.191 -10.276 -4.193 1.00 41.22 H new ATOM 0 HG3 GLN A 65 2.662 -8.803 -3.404 1.00 41.22 H new ATOM 0 HE21 GLN A 65 0.572 -8.791 -4.155 1.00 4.02 H new ATOM 0 HE22 GLN A 65 0.156 -8.555 -5.856 1.00 4.02 H new ATOM 1100 N MET A 66 7.002 -7.115 -2.700 1.00 51.30 N ATOM 1101 CA MET A 66 8.183 -6.251 -2.775 1.00 45.42 C ATOM 1102 C MET A 66 9.183 -6.592 -1.669 1.00 14.24 C ATOM 1103 O MET A 66 8.808 -7.140 -0.628 1.00 42.21 O ATOM 1104 CB MET A 66 7.805 -4.759 -2.682 1.00 54.20 C ATOM 1105 CG MET A 66 6.316 -4.453 -2.531 1.00 71.10 C ATOM 1106 SD MET A 66 5.891 -2.762 -3.017 1.00 71.25 S ATOM 1107 CE MET A 66 7.006 -1.794 -1.998 1.00 23.31 C ATOM 0 H MET A 66 6.396 -6.923 -1.902 1.00 51.30 H new ATOM 0 HA MET A 66 8.645 -6.431 -3.746 1.00 45.42 H new ATOM 0 HB2 MET A 66 8.333 -4.323 -1.834 1.00 54.20 H new ATOM 0 HB3 MET A 66 8.170 -4.256 -3.577 1.00 54.20 H new ATOM 0 HG2 MET A 66 5.743 -5.155 -3.137 1.00 71.10 H new ATOM 0 HG3 MET A 66 6.021 -4.613 -1.494 1.00 71.10 H new ATOM 0 HE1 MET A 66 6.815 -0.733 -2.156 1.00 23.31 H new ATOM 0 HE2 MET A 66 6.845 -2.039 -0.948 1.00 23.31 H new ATOM 0 HE3 MET A 66 8.037 -2.021 -2.269 1.00 23.31 H new ATOM 1117 N SER A 67 10.455 -6.250 -1.909 1.00 4.44 N ATOM 1118 CA SER A 67 11.536 -6.506 -0.953 1.00 50.24 C ATOM 1119 C SER A 67 12.058 -5.191 -0.369 1.00 5.23 C ATOM 1120 O SER A 67 11.754 -4.119 -0.893 1.00 51.25 O ATOM 1121 CB SER A 67 12.673 -7.272 -1.640 1.00 21.11 C ATOM 1122 OG SER A 67 13.058 -6.639 -2.849 1.00 40.45 O ATOM 0 H SER A 67 10.761 -5.791 -2.767 1.00 4.44 H new ATOM 0 HA SER A 67 11.144 -7.113 -0.137 1.00 50.24 H new ATOM 0 HB2 SER A 67 13.530 -7.335 -0.970 1.00 21.11 H new ATOM 0 HB3 SER A 67 12.354 -8.294 -1.846 1.00 21.11 H new ATOM 0 HG SER A 67 12.648 -7.105 -3.607 1.00 40.45 H new ATOM 1128 N VAL A 68 12.859 -5.282 0.711 1.00 33.02 N ATOM 1129 CA VAL A 68 13.437 -4.100 1.386 1.00 53.10 C ATOM 1130 C VAL A 68 14.245 -3.235 0.401 1.00 12.43 C ATOM 1131 O VAL A 68 15.181 -3.718 -0.242 1.00 21.20 O ATOM 1132 CB VAL A 68 14.330 -4.519 2.598 1.00 34.11 C ATOM 1133 CG1 VAL A 68 15.121 -3.342 3.168 1.00 30.52 C ATOM 1134 CG2 VAL A 68 13.481 -5.145 3.699 1.00 13.21 C ATOM 0 H VAL A 68 13.123 -6.170 1.139 1.00 33.02 H new ATOM 0 HA VAL A 68 12.606 -3.504 1.764 1.00 53.10 H new ATOM 0 HB VAL A 68 15.044 -5.253 2.224 1.00 34.11 H new ATOM 0 HG11 VAL A 68 15.726 -3.683 4.008 1.00 30.52 H new ATOM 0 HG12 VAL A 68 15.771 -2.932 2.395 1.00 30.52 H new ATOM 0 HG13 VAL A 68 14.431 -2.570 3.508 1.00 30.52 H new ATOM 0 HG21 VAL A 68 14.121 -5.430 4.534 1.00 13.21 H new ATOM 0 HG22 VAL A 68 12.739 -4.424 4.040 1.00 13.21 H new ATOM 0 HG23 VAL A 68 12.976 -6.029 3.311 1.00 13.21 H new ATOM 1144 N GLY A 69 13.855 -1.959 0.303 1.00 54.02 N ATOM 1145 CA GLY A 69 14.519 -1.020 -0.592 1.00 71.34 C ATOM 1146 C GLY A 69 13.890 -0.966 -1.978 1.00 5.22 C ATOM 1147 O GLY A 69 14.401 -0.271 -2.862 1.00 23.21 O ATOM 0 H GLY A 69 13.082 -1.558 0.835 1.00 54.02 H new ATOM 0 HA2 GLY A 69 14.492 -0.025 -0.149 1.00 71.34 H new ATOM 0 HA3 GLY A 69 15.569 -1.299 -0.687 1.00 71.34 H new ATOM 1151 N GLN A 70 12.783 -1.700 -2.166 1.00 55.02 N ATOM 1152 CA GLN A 70 12.087 -1.745 -3.452 1.00 4.10 C ATOM 1153 C GLN A 70 10.929 -0.748 -3.494 1.00 65.14 C ATOM 1154 O GLN A 70 10.233 -0.543 -2.496 1.00 64.15 O ATOM 1155 CB GLN A 70 11.564 -3.162 -3.734 1.00 54.10 C ATOM 1156 CG GLN A 70 11.324 -3.446 -5.213 1.00 53.24 C ATOM 1157 CD GLN A 70 10.582 -4.745 -5.455 1.00 75.44 C ATOM 1158 OE1 GLN A 70 11.183 -5.818 -5.502 1.00 62.23 O ATOM 1159 NE2 GLN A 70 9.269 -4.650 -5.634 1.00 4.25 N ATOM 0 H GLN A 70 12.353 -2.271 -1.438 1.00 55.02 H new ATOM 0 HA GLN A 70 12.806 -1.469 -4.224 1.00 4.10 H new ATOM 0 HB2 GLN A 70 12.279 -3.887 -3.346 1.00 54.10 H new ATOM 0 HB3 GLN A 70 10.632 -3.310 -3.189 1.00 54.10 H new ATOM 0 HG2 GLN A 70 10.756 -2.623 -5.647 1.00 53.24 H new ATOM 0 HG3 GLN A 70 12.283 -3.480 -5.731 1.00 53.24 H new ATOM 0 HE21 GLN A 70 8.812 -3.739 -5.586 1.00 4.25 H new ATOM 0 HE22 GLN A 70 8.718 -5.488 -5.819 1.00 4.25 H new ATOM 1168 N ARG A 71 10.748 -0.142 -4.667 1.00 33.42 N ATOM 1169 CA ARG A 71 9.673 0.822 -4.899 1.00 34.40 C ATOM 1170 C ARG A 71 8.775 0.319 -6.035 1.00 60.34 C ATOM 1171 O ARG A 71 9.174 0.326 -7.206 1.00 3.51 O ATOM 1172 CB ARG A 71 10.263 2.204 -5.231 1.00 73.14 C ATOM 1173 CG ARG A 71 9.302 3.369 -5.002 1.00 14.30 C ATOM 1174 CD ARG A 71 9.107 4.183 -6.271 1.00 71.52 C ATOM 1175 NE ARG A 71 8.107 5.242 -6.097 1.00 3.22 N ATOM 1176 CZ ARG A 71 8.083 6.391 -6.787 1.00 32.00 C ATOM 1177 NH1 ARG A 71 9.002 6.658 -7.714 1.00 54.01 N ATOM 1178 NH2 ARG A 71 7.129 7.280 -6.546 1.00 42.24 N ATOM 0 H ARG A 71 11.341 -0.305 -5.481 1.00 33.42 H new ATOM 0 HA ARG A 71 9.071 0.923 -3.996 1.00 34.40 H new ATOM 0 HB2 ARG A 71 11.156 2.360 -4.625 1.00 73.14 H new ATOM 0 HB3 ARG A 71 10.580 2.210 -6.274 1.00 73.14 H new ATOM 0 HG2 ARG A 71 8.340 2.987 -4.661 1.00 14.30 H new ATOM 0 HG3 ARG A 71 9.689 4.012 -4.211 1.00 14.30 H new ATOM 0 HD2 ARG A 71 10.058 4.627 -6.566 1.00 71.52 H new ATOM 0 HD3 ARG A 71 8.798 3.523 -7.081 1.00 71.52 H new ATOM 0 HE ARG A 71 7.377 5.093 -5.400 1.00 3.22 H new ATOM 0 HH11 ARG A 71 9.741 5.982 -7.909 1.00 54.01 H new ATOM 0 HH12 ARG A 71 8.967 7.538 -8.229 1.00 54.01 H new ATOM 0 HH21 ARG A 71 6.419 7.088 -5.839 1.00 42.24 H new ATOM 0 HH22 ARG A 71 7.105 8.156 -7.067 1.00 42.24 H new ATOM 1192 N ALA A 72 7.569 -0.131 -5.673 1.00 5.10 N ATOM 1193 CA ALA A 72 6.610 -0.655 -6.648 1.00 53.23 C ATOM 1194 C ALA A 72 5.231 -0.017 -6.481 1.00 61.04 C ATOM 1195 O ALA A 72 4.879 0.438 -5.389 1.00 32.53 O ATOM 1196 CB ALA A 72 6.510 -2.171 -6.522 1.00 53.11 C ATOM 0 H ALA A 72 7.234 -0.142 -4.710 1.00 5.10 H new ATOM 0 HA ALA A 72 6.973 -0.400 -7.644 1.00 53.23 H new ATOM 0 HB1 ALA A 72 5.794 -2.550 -7.251 1.00 53.11 H new ATOM 0 HB2 ALA A 72 7.487 -2.617 -6.707 1.00 53.11 H new ATOM 0 HB3 ALA A 72 6.177 -2.431 -5.517 1.00 53.11 H new HETATM 1202 N MLY A 73 4.457 0.007 -7.576 1.00 72.40 N HETATM 1203 CA MLY A 73 3.110 0.577 -7.569 1.00 10.44 C HETATM 1204 CB MLY A 73 2.899 1.447 -8.811 1.00 42.22 C HETATM 1205 CG MLY A 73 2.053 2.688 -8.559 1.00 32.23 C HETATM 1206 CD MLY A 73 1.889 3.522 -9.824 1.00 43.41 C HETATM 1207 CE MLY A 73 2.816 4.732 -9.822 1.00 12.10 C HETATM 1208 NZ MLY A 73 2.716 5.442 -11.109 1.00 24.53 N HETATM 1209 CH1 MLY A 73 4.033 5.465 -11.763 1.00 62.33 C HETATM 1210 CH2 MLY A 73 2.262 6.822 -10.877 1.00 20.10 C HETATM 1211 C MLY A 73 2.068 -0.535 -7.521 1.00 30.22 C HETATM 1212 O MLY A 73 2.119 -1.473 -8.324 1.00 52.40 O HETATM 0 HH23 MLY A 73 1.285 6.807 -10.395 1.00 20.10 H new HETATM 0 HH22 MLY A 73 2.976 7.337 -10.234 1.00 20.10 H new HETATM 0 HH21 MLY A 73 2.189 7.346 -11.830 1.00 20.10 H new HETATM 0 HH13 MLY A 73 4.749 5.978 -11.121 1.00 62.33 H new HETATM 0 HH12 MLY A 73 4.370 4.443 -11.938 1.00 62.33 H new HETATM 0 HH11 MLY A 73 3.957 5.991 -12.715 1.00 62.33 H new HETATM 0 HG3 MLY A 73 1.072 2.391 -8.189 1.00 32.23 H new HETATM 0 HG2 MLY A 73 2.517 3.294 -7.781 1.00 32.23 H new HETATM 0 HE3 MLY A 73 2.551 5.403 -9.005 1.00 12.10 H new HETATM 0 HE2 MLY A 73 3.844 4.413 -9.652 1.00 12.10 H new HETATM 0 HD3 MLY A 73 2.098 2.904 -10.697 1.00 43.41 H new HETATM 0 HD2 MLY A 73 0.855 3.855 -9.909 1.00 43.41 H new HETATM 0 HB3 MLY A 73 3.871 1.754 -9.197 1.00 42.22 H new HETATM 0 HB2 MLY A 73 2.424 0.847 -9.587 1.00 42.22 H new HETATM 0 HA MLY A 73 2.997 1.200 -6.682 1.00 10.44 H new HETATM 0 H MLY A 73 5.096 0.217 -8.343 1.00 72.40 H new ATOM 1229 N LEU A 74 1.128 -0.426 -6.577 1.00 74.52 N ATOM 1230 CA LEU A 74 0.076 -1.434 -6.423 1.00 74.33 C ATOM 1231 C LEU A 74 -1.289 -0.878 -6.819 1.00 30.42 C ATOM 1232 O LEU A 74 -1.720 0.166 -6.321 1.00 24.14 O ATOM 1233 CB LEU A 74 0.006 -1.993 -4.983 1.00 54.31 C ATOM 1234 CG LEU A 74 1.220 -1.735 -4.080 1.00 51.21 C ATOM 1235 CD1 LEU A 74 1.036 -0.429 -3.319 1.00 53.33 C ATOM 1236 CD2 LEU A 74 1.429 -2.896 -3.113 1.00 45.42 C ATOM 0 H LEU A 74 1.074 0.345 -5.912 1.00 74.52 H new ATOM 0 HA LEU A 74 0.338 -2.252 -7.094 1.00 74.33 H new ATOM 0 HB2 LEU A 74 -0.874 -1.571 -4.497 1.00 54.31 H new ATOM 0 HB3 LEU A 74 -0.149 -3.070 -5.044 1.00 54.31 H new ATOM 0 HG LEU A 74 2.109 -1.653 -4.706 1.00 51.21 H new ATOM 0 HD11 LEU A 74 1.902 -0.255 -2.681 1.00 53.33 H new ATOM 0 HD12 LEU A 74 0.935 0.394 -4.027 1.00 53.33 H new ATOM 0 HD13 LEU A 74 0.139 -0.490 -2.703 1.00 53.33 H new ATOM 0 HD21 LEU A 74 2.294 -2.693 -2.482 1.00 45.42 H new ATOM 0 HD22 LEU A 74 0.544 -3.013 -2.488 1.00 45.42 H new ATOM 0 HD23 LEU A 74 1.598 -3.813 -3.677 1.00 45.42 H new ATOM 1248 N THR A 75 -1.952 -1.600 -7.727 1.00 22.43 N ATOM 1249 CA THR A 75 -3.280 -1.251 -8.222 1.00 34.30 C ATOM 1250 C THR A 75 -4.344 -1.981 -7.392 1.00 11.12 C ATOM 1251 O THR A 75 -4.451 -3.211 -7.449 1.00 0.33 O ATOM 1252 CB THR A 75 -3.403 -1.628 -9.723 1.00 53.12 C ATOM 1253 OG1 THR A 75 -2.373 -0.971 -10.471 1.00 4.44 O ATOM 1254 CG2 THR A 75 -4.762 -1.263 -10.319 1.00 22.41 C ATOM 0 H THR A 75 -1.575 -2.452 -8.142 1.00 22.43 H new ATOM 0 HA THR A 75 -3.434 -0.176 -8.125 1.00 34.30 H new ATOM 0 HB THR A 75 -3.298 -2.711 -9.786 1.00 53.12 H new ATOM 0 HG1 THR A 75 -2.452 -1.212 -11.418 1.00 4.44 H new ATOM 0 HG21 THR A 75 -4.787 -1.551 -11.370 1.00 22.41 H new ATOM 0 HG22 THR A 75 -5.549 -1.790 -9.779 1.00 22.41 H new ATOM 0 HG23 THR A 75 -4.920 -0.188 -10.233 1.00 22.41 H new ATOM 1262 N ILE A 76 -5.115 -1.212 -6.623 1.00 31.12 N ATOM 1263 CA ILE A 76 -6.161 -1.771 -5.768 1.00 1.42 C ATOM 1264 C ILE A 76 -7.539 -1.500 -6.364 1.00 60.35 C ATOM 1265 O ILE A 76 -7.795 -0.426 -6.914 1.00 13.12 O ATOM 1266 CB ILE A 76 -6.086 -1.206 -4.310 1.00 70.02 C ATOM 1267 CG1 ILE A 76 -4.614 -1.137 -3.797 1.00 70.21 C ATOM 1268 CG2 ILE A 76 -6.972 -2.015 -3.350 1.00 75.11 C ATOM 1269 CD1 ILE A 76 -3.885 -2.472 -3.658 1.00 11.52 C ATOM 0 H ILE A 76 -5.034 -0.196 -6.575 1.00 31.12 H new ATOM 0 HA ILE A 76 -5.997 -2.847 -5.716 1.00 1.42 H new ATOM 0 HB ILE A 76 -6.471 -0.187 -4.337 1.00 70.02 H new ATOM 0 HG12 ILE A 76 -4.044 -0.504 -4.477 1.00 70.21 H new ATOM 0 HG13 ILE A 76 -4.613 -0.643 -2.825 1.00 70.21 H new ATOM 0 HG21 ILE A 76 -6.897 -1.597 -2.346 1.00 75.11 H new ATOM 0 HG22 ILE A 76 -8.008 -1.970 -3.686 1.00 75.11 H new ATOM 0 HG23 ILE A 76 -6.640 -3.053 -3.336 1.00 75.11 H new ATOM 0 HD11 ILE A 76 -2.872 -2.297 -3.294 1.00 11.52 H new ATOM 0 HD12 ILE A 76 -4.420 -3.107 -2.952 1.00 11.52 H new ATOM 0 HD13 ILE A 76 -3.842 -2.966 -4.629 1.00 11.52 H new ATOM 1281 N SER A 77 -8.408 -2.499 -6.239 1.00 11.11 N ATOM 1282 CA SER A 77 -9.777 -2.425 -6.744 1.00 42.11 C ATOM 1283 C SER A 77 -10.772 -2.194 -5.598 1.00 43.15 C ATOM 1284 O SER A 77 -10.428 -2.426 -4.437 1.00 74.23 O ATOM 1285 CB SER A 77 -10.133 -3.714 -7.508 1.00 53.42 C ATOM 1286 OG SER A 77 -9.361 -4.819 -7.066 1.00 32.12 O ATOM 0 H SER A 77 -8.183 -3.384 -5.784 1.00 11.11 H new ATOM 0 HA SER A 77 -9.843 -1.579 -7.428 1.00 42.11 H new ATOM 0 HB2 SER A 77 -11.192 -3.934 -7.375 1.00 53.42 H new ATOM 0 HB3 SER A 77 -9.971 -3.561 -8.575 1.00 53.42 H new ATOM 0 HG SER A 77 -8.500 -4.824 -7.534 1.00 32.12 H new ATOM 1292 N PRO A 78 -12.030 -1.732 -5.897 1.00 14.41 N ATOM 1293 CA PRO A 78 -13.057 -1.483 -4.860 1.00 50.11 C ATOM 1294 C PRO A 78 -13.444 -2.745 -4.076 1.00 62.43 C ATOM 1295 O PRO A 78 -14.023 -2.652 -2.997 1.00 15.12 O ATOM 1296 CB PRO A 78 -14.266 -0.957 -5.648 1.00 32.31 C ATOM 1297 CG PRO A 78 -14.030 -1.356 -7.065 1.00 23.43 C ATOM 1298 CD PRO A 78 -12.544 -1.410 -7.248 1.00 55.53 C ATOM 0 HA PRO A 78 -12.686 -0.788 -4.106 1.00 50.11 H new ATOM 0 HB2 PRO A 78 -15.195 -1.384 -5.271 1.00 32.31 H new ATOM 0 HB3 PRO A 78 -14.352 0.126 -5.555 1.00 32.31 H new ATOM 0 HG2 PRO A 78 -14.483 -2.325 -7.276 1.00 23.43 H new ATOM 0 HG3 PRO A 78 -14.480 -0.638 -7.751 1.00 23.43 H new ATOM 0 HD2 PRO A 78 -12.258 -2.170 -7.976 1.00 55.53 H new ATOM 0 HD3 PRO A 78 -12.151 -0.459 -7.609 1.00 55.53 H new ATOM 1306 N ASP A 79 -13.109 -3.915 -4.636 1.00 12.13 N ATOM 1307 CA ASP A 79 -13.399 -5.204 -4.004 1.00 63.51 C ATOM 1308 C ASP A 79 -12.300 -5.599 -3.011 1.00 41.14 C ATOM 1309 O ASP A 79 -12.552 -6.352 -2.065 1.00 2.04 O ATOM 1310 CB ASP A 79 -13.550 -6.281 -5.076 1.00 74.51 C ATOM 1311 CG ASP A 79 -14.994 -6.489 -5.489 1.00 73.03 C ATOM 1312 OD1 ASP A 79 -15.442 -5.814 -6.439 1.00 41.30 O ATOM 1313 OD2 ASP A 79 -15.675 -7.327 -4.863 1.00 45.33 O ATOM 0 H ASP A 79 -12.632 -3.992 -5.534 1.00 12.13 H new ATOM 0 HA ASP A 79 -14.332 -5.109 -3.449 1.00 63.51 H new ATOM 0 HB2 ASP A 79 -12.961 -6.004 -5.951 1.00 74.51 H new ATOM 0 HB3 ASP A 79 -13.143 -7.221 -4.703 1.00 74.51 H new ATOM 1318 N TYR A 80 -11.086 -5.082 -3.240 1.00 23.22 N ATOM 1319 CA TYR A 80 -9.936 -5.356 -2.370 1.00 53.15 C ATOM 1320 C TYR A 80 -9.658 -4.184 -1.427 1.00 65.53 C ATOM 1321 O TYR A 80 -8.997 -4.356 -0.399 1.00 12.33 O ATOM 1322 CB TYR A 80 -8.681 -5.642 -3.205 1.00 14.24 C ATOM 1323 CG TYR A 80 -8.457 -7.112 -3.503 1.00 54.54 C ATOM 1324 CD1 TYR A 80 -9.300 -7.809 -4.364 1.00 24.12 C ATOM 1325 CD2 TYR A 80 -7.401 -7.802 -2.920 1.00 35.12 C ATOM 1326 CE1 TYR A 80 -9.096 -9.148 -4.631 1.00 2.42 C ATOM 1327 CE2 TYR A 80 -7.192 -9.141 -3.185 1.00 30.14 C ATOM 1328 CZ TYR A 80 -8.042 -9.810 -4.040 1.00 23.34 C ATOM 1329 OH TYR A 80 -7.836 -11.144 -4.304 1.00 73.03 O ATOM 0 H TYR A 80 -10.875 -4.468 -4.026 1.00 23.22 H new ATOM 0 HA TYR A 80 -10.184 -6.234 -1.774 1.00 53.15 H new ATOM 0 HB2 TYR A 80 -8.753 -5.098 -4.147 1.00 14.24 H new ATOM 0 HB3 TYR A 80 -7.810 -5.252 -2.678 1.00 14.24 H new ATOM 0 HD1 TYR A 80 -10.127 -7.294 -4.831 1.00 24.12 H new ATOM 0 HD2 TYR A 80 -6.733 -7.283 -2.249 1.00 35.12 H new ATOM 0 HE1 TYR A 80 -9.760 -9.675 -5.301 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -6.366 -9.662 -2.724 1.00 30.14 H new ATOM 0 HH TYR A 80 -7.012 -11.251 -4.823 1.00 73.03 H new ATOM 1339 N ALA A 81 -10.169 -2.996 -1.786 1.00 54.11 N ATOM 1340 CA ALA A 81 -9.969 -1.783 -0.991 1.00 1.04 C ATOM 1341 C ALA A 81 -10.969 -1.665 0.171 1.00 31.52 C ATOM 1342 O ALA A 81 -10.563 -1.653 1.334 1.00 11.01 O ATOM 1343 CB ALA A 81 -10.038 -0.555 -1.891 1.00 23.45 C ATOM 0 H ALA A 81 -10.727 -2.854 -2.628 1.00 54.11 H new ATOM 0 HA ALA A 81 -8.978 -1.847 -0.541 1.00 1.04 H new ATOM 0 HB1 ALA A 81 -9.888 0.344 -1.293 1.00 23.45 H new ATOM 0 HB2 ALA A 81 -9.260 -0.618 -2.652 1.00 23.45 H new ATOM 0 HB3 ALA A 81 -11.015 -0.511 -2.373 1.00 23.45 H new ATOM 1349 N TYR A 82 -12.271 -1.586 -0.143 1.00 35.34 N ATOM 1350 CA TYR A 82 -13.305 -1.449 0.891 1.00 21.22 C ATOM 1351 C TYR A 82 -14.482 -2.394 0.638 1.00 64.31 C ATOM 1352 O TYR A 82 -14.876 -3.153 1.528 1.00 12.00 O ATOM 1353 CB TYR A 82 -13.798 0.008 0.964 1.00 60.11 C ATOM 1354 CG TYR A 82 -12.718 1.009 1.331 1.00 23.55 C ATOM 1355 CD1 TYR A 82 -11.881 1.550 0.358 1.00 60.20 C ATOM 1356 CD2 TYR A 82 -12.536 1.412 2.648 1.00 2.31 C ATOM 1357 CE1 TYR A 82 -10.898 2.463 0.689 1.00 51.12 C ATOM 1358 CE2 TYR A 82 -11.555 2.325 2.986 1.00 74.54 C ATOM 1359 CZ TYR A 82 -10.739 2.847 2.004 1.00 74.23 C ATOM 1360 OH TYR A 82 -9.761 3.756 2.338 1.00 54.35 O ATOM 0 H TYR A 82 -12.630 -1.614 -1.097 1.00 35.34 H new ATOM 0 HA TYR A 82 -12.857 -1.723 1.846 1.00 21.22 H new ATOM 0 HB2 TYR A 82 -14.223 0.285 -0.001 1.00 60.11 H new ATOM 0 HB3 TYR A 82 -14.602 0.072 1.697 1.00 60.11 H new ATOM 0 HD1 TYR A 82 -12.002 1.251 -0.673 1.00 60.20 H new ATOM 0 HD2 TYR A 82 -13.172 1.005 3.421 1.00 2.31 H new ATOM 0 HE1 TYR A 82 -10.258 2.874 -0.078 1.00 51.12 H new ATOM 0 HE2 TYR A 82 -11.428 2.628 4.015 1.00 74.54 H new ATOM 0 HH TYR A 82 -9.783 3.920 3.304 1.00 54.35 H new ATOM 1370 N GLY A 83 -15.033 -2.335 -0.579 1.00 3.43 N ATOM 1371 CA GLY A 83 -16.161 -3.176 -0.951 1.00 10.01 C ATOM 1372 C GLY A 83 -17.039 -2.520 -1.997 1.00 71.34 C ATOM 1373 O GLY A 83 -16.532 -1.873 -2.919 1.00 23.23 O ATOM 0 H GLY A 83 -14.711 -1.711 -1.319 1.00 3.43 H new ATOM 0 HA2 GLY A 83 -15.793 -4.128 -1.333 1.00 10.01 H new ATOM 0 HA3 GLY A 83 -16.756 -3.397 -0.065 1.00 10.01 H new ATOM 1377 N ALA A 84 -18.355 -2.686 -1.850 1.00 25.11 N ATOM 1378 CA ALA A 84 -19.323 -2.102 -2.781 1.00 33.53 C ATOM 1379 C ALA A 84 -19.873 -0.769 -2.261 1.00 20.43 C ATOM 1380 O ALA A 84 -20.538 -0.036 -3.000 1.00 51.55 O ATOM 1381 CB ALA A 84 -20.457 -3.081 -3.042 1.00 43.40 C ATOM 0 H ALA A 84 -18.776 -3.222 -1.092 1.00 25.11 H new ATOM 0 HA ALA A 84 -18.805 -1.900 -3.719 1.00 33.53 H new ATOM 0 HB1 ALA A 84 -21.170 -2.635 -3.736 1.00 43.40 H new ATOM 0 HB2 ALA A 84 -20.055 -3.997 -3.474 1.00 43.40 H new ATOM 0 HB3 ALA A 84 -20.960 -3.313 -2.104 1.00 43.40 H new ATOM 1387 N THR A 85 -19.583 -0.464 -0.989 1.00 42.23 N ATOM 1388 CA THR A 85 -20.038 0.774 -0.358 1.00 52.23 C ATOM 1389 C THR A 85 -18.907 1.813 -0.338 1.00 53.03 C ATOM 1390 O THR A 85 -19.047 2.896 -0.914 1.00 62.14 O ATOM 1391 CB THR A 85 -20.551 0.513 1.086 1.00 63.55 C ATOM 1392 OG1 THR A 85 -21.301 -0.708 1.128 1.00 4.10 O ATOM 1393 CG2 THR A 85 -21.433 1.654 1.586 1.00 23.54 C ATOM 0 H THR A 85 -19.031 -1.065 -0.376 1.00 42.23 H new ATOM 0 HA THR A 85 -20.867 1.165 -0.948 1.00 52.23 H new ATOM 0 HB THR A 85 -19.678 0.441 1.734 1.00 63.55 H new ATOM 0 HG1 THR A 85 -21.619 -0.865 2.042 1.00 4.10 H new ATOM 0 HG21 THR A 85 -21.772 1.435 2.598 1.00 23.54 H new ATOM 0 HG22 THR A 85 -20.861 2.582 1.588 1.00 23.54 H new ATOM 0 HG23 THR A 85 -22.296 1.761 0.929 1.00 23.54 H new ATOM 1401 N GLY A 86 -17.791 1.469 0.330 1.00 73.04 N ATOM 1402 CA GLY A 86 -16.641 2.369 0.424 1.00 62.01 C ATOM 1403 C GLY A 86 -16.868 3.533 1.379 1.00 41.14 C ATOM 1404 O GLY A 86 -17.842 3.537 2.138 1.00 62.55 O ATOM 0 H GLY A 86 -17.667 0.577 0.809 1.00 73.04 H new ATOM 0 HA2 GLY A 86 -15.770 1.802 0.753 1.00 62.01 H new ATOM 0 HA3 GLY A 86 -16.412 2.760 -0.567 1.00 62.01 H new ATOM 1408 N HIS A 87 -15.961 4.515 1.334 1.00 12.34 N ATOM 1409 CA HIS A 87 -16.057 5.703 2.182 1.00 52.22 C ATOM 1410 C HIS A 87 -16.713 6.856 1.399 1.00 53.50 C ATOM 1411 O HIS A 87 -16.215 7.229 0.334 1.00 4.31 O ATOM 1412 CB HIS A 87 -14.665 6.118 2.683 1.00 33.04 C ATOM 1413 CG HIS A 87 -14.686 6.926 3.949 1.00 43.33 C ATOM 1414 ND1 HIS A 87 -14.265 6.449 5.171 1.00 62.14 N ATOM 1415 CD2 HIS A 87 -15.083 8.208 4.165 1.00 34.33 C ATOM 1416 CE1 HIS A 87 -14.417 7.430 6.070 1.00 71.03 C ATOM 1417 NE2 HIS A 87 -14.909 8.519 5.511 1.00 2.31 N ATOM 0 H HIS A 87 -15.150 4.508 0.716 1.00 12.34 H new ATOM 0 HA HIS A 87 -16.677 5.469 3.047 1.00 52.22 H new ATOM 0 HB2 HIS A 87 -14.067 5.221 2.846 1.00 33.04 H new ATOM 0 HB3 HIS A 87 -14.167 6.695 1.904 1.00 33.04 H new ATOM 0 HD2 HIS A 87 -15.471 8.878 3.413 1.00 34.33 H new ATOM 0 HE1 HIS A 87 -14.169 7.341 7.117 1.00 71.03 H new ATOM 0 HE2 HIS A 87 -15.119 9.405 5.970 1.00 2.31 H new ATOM 1425 N PRO A 88 -17.836 7.450 1.911 1.00 43.33 N ATOM 1426 CA PRO A 88 -18.538 8.544 1.209 1.00 44.10 C ATOM 1427 C PRO A 88 -17.746 9.858 1.170 1.00 24.12 C ATOM 1428 O PRO A 88 -17.332 10.379 2.212 1.00 52.53 O ATOM 1429 CB PRO A 88 -19.838 8.714 2.008 1.00 3.31 C ATOM 1430 CG PRO A 88 -19.541 8.185 3.371 1.00 11.32 C ATOM 1431 CD PRO A 88 -18.505 7.107 3.195 1.00 31.53 C ATOM 0 HA PRO A 88 -18.694 8.299 0.159 1.00 44.10 H new ATOM 0 HB2 PRO A 88 -20.138 9.761 2.050 1.00 3.31 H new ATOM 0 HB3 PRO A 88 -20.658 8.166 1.544 1.00 3.31 H new ATOM 0 HG2 PRO A 88 -19.170 8.977 4.022 1.00 11.32 H new ATOM 0 HG3 PRO A 88 -20.442 7.785 3.837 1.00 11.32 H new ATOM 0 HD2 PRO A 88 -17.796 7.097 4.023 1.00 31.53 H new ATOM 0 HD3 PRO A 88 -18.962 6.118 3.154 1.00 31.53 H new ATOM 1439 N GLY A 89 -17.540 10.372 -0.049 1.00 63.23 N ATOM 1440 CA GLY A 89 -16.816 11.620 -0.233 1.00 34.40 C ATOM 1441 C GLY A 89 -15.426 11.429 -0.816 1.00 12.22 C ATOM 1442 O GLY A 89 -15.050 12.131 -1.760 1.00 23.13 O ATOM 0 H GLY A 89 -17.866 9.940 -0.914 1.00 63.23 H new ATOM 0 HA2 GLY A 89 -17.391 12.272 -0.890 1.00 34.40 H new ATOM 0 HA3 GLY A 89 -16.733 12.129 0.728 1.00 34.40 H new ATOM 1446 N ILE A 90 -14.667 10.482 -0.254 1.00 11.03 N ATOM 1447 CA ILE A 90 -13.297 10.214 -0.708 1.00 12.54 C ATOM 1448 C ILE A 90 -13.234 8.978 -1.619 1.00 61.23 C ATOM 1449 O ILE A 90 -12.680 9.048 -2.720 1.00 42.54 O ATOM 1450 CB ILE A 90 -12.312 10.030 0.487 1.00 64.12 C ATOM 1451 CG1 ILE A 90 -12.596 11.060 1.593 1.00 73.33 C ATOM 1452 CG2 ILE A 90 -10.860 10.161 0.014 1.00 3.31 C ATOM 1453 CD1 ILE A 90 -12.348 10.537 2.992 1.00 60.20 C ATOM 0 H ILE A 90 -14.977 9.889 0.515 1.00 11.03 H new ATOM 0 HA ILE A 90 -12.988 11.089 -1.279 1.00 12.54 H new ATOM 0 HB ILE A 90 -12.462 9.030 0.894 1.00 64.12 H new ATOM 0 HG12 ILE A 90 -11.972 11.938 1.428 1.00 73.33 H new ATOM 0 HG13 ILE A 90 -13.633 11.386 1.515 1.00 73.33 H new ATOM 0 HG21 ILE A 90 -10.188 10.030 0.862 1.00 3.31 H new ATOM 0 HG22 ILE A 90 -10.651 9.398 -0.736 1.00 3.31 H new ATOM 0 HG23 ILE A 90 -10.707 11.149 -0.421 1.00 3.31 H new ATOM 0 HD11 ILE A 90 -12.570 11.320 3.718 1.00 60.20 H new ATOM 0 HD12 ILE A 90 -12.991 9.677 3.178 1.00 60.20 H new ATOM 0 HD13 ILE A 90 -11.304 10.238 3.089 1.00 60.20 H new ATOM 1465 N ILE A 91 -13.800 7.858 -1.153 1.00 33.14 N ATOM 1466 CA ILE A 91 -13.779 6.604 -1.911 1.00 30.21 C ATOM 1467 C ILE A 91 -15.189 6.244 -2.432 1.00 51.24 C ATOM 1468 O ILE A 91 -16.000 5.684 -1.685 1.00 52.40 O ATOM 1469 CB ILE A 91 -13.202 5.422 -1.058 1.00 70.43 C ATOM 1470 CG1 ILE A 91 -11.906 5.822 -0.294 1.00 74.32 C ATOM 1471 CG2 ILE A 91 -12.956 4.174 -1.918 1.00 53.23 C ATOM 1472 CD1 ILE A 91 -10.752 6.349 -1.149 1.00 2.32 C ATOM 0 H ILE A 91 -14.278 7.796 -0.254 1.00 33.14 H new ATOM 0 HA ILE A 91 -13.120 6.759 -2.765 1.00 30.21 H new ATOM 0 HB ILE A 91 -13.961 5.181 -0.313 1.00 70.43 H new ATOM 0 HG12 ILE A 91 -12.163 6.585 0.441 1.00 74.32 H new ATOM 0 HG13 ILE A 91 -11.553 4.952 0.260 1.00 74.32 H new ATOM 0 HG21 ILE A 91 -12.556 3.375 -1.294 1.00 53.23 H new ATOM 0 HG22 ILE A 91 -13.896 3.849 -2.365 1.00 53.23 H new ATOM 0 HG23 ILE A 91 -12.241 4.411 -2.706 1.00 53.23 H new ATOM 0 HD11 ILE A 91 -9.906 6.594 -0.507 1.00 2.32 H new ATOM 0 HD12 ILE A 91 -10.453 5.586 -1.867 1.00 2.32 H new ATOM 0 HD13 ILE A 91 -11.074 7.243 -1.683 1.00 2.32 H new ATOM 1484 N PRO A 92 -15.507 6.559 -3.725 1.00 65.32 N ATOM 1485 CA PRO A 92 -16.821 6.236 -4.318 1.00 52.13 C ATOM 1486 C PRO A 92 -17.001 4.722 -4.581 1.00 22.44 C ATOM 1487 O PRO A 92 -16.017 3.977 -4.551 1.00 33.23 O ATOM 1488 CB PRO A 92 -16.821 7.026 -5.634 1.00 2.33 C ATOM 1489 CG PRO A 92 -15.387 7.186 -5.993 1.00 52.44 C ATOM 1490 CD PRO A 92 -14.635 7.275 -4.692 1.00 13.45 C ATOM 0 HA PRO A 92 -17.643 6.497 -3.652 1.00 52.13 H new ATOM 0 HB2 PRO A 92 -17.365 6.492 -6.414 1.00 2.33 H new ATOM 0 HB3 PRO A 92 -17.307 7.994 -5.512 1.00 2.33 H new ATOM 0 HG2 PRO A 92 -15.038 6.341 -6.587 1.00 52.44 H new ATOM 0 HG3 PRO A 92 -15.234 8.083 -6.593 1.00 52.44 H new ATOM 0 HD2 PRO A 92 -13.653 6.808 -4.766 1.00 13.45 H new ATOM 0 HD3 PRO A 92 -14.474 8.311 -4.394 1.00 13.45 H new ATOM 1498 N PRO A 93 -18.257 4.245 -4.843 1.00 53.53 N ATOM 1499 CA PRO A 93 -18.527 2.815 -5.099 1.00 52.41 C ATOM 1500 C PRO A 93 -18.084 2.356 -6.494 1.00 70.11 C ATOM 1501 O PRO A 93 -18.193 3.110 -7.465 1.00 21.32 O ATOM 1502 CB PRO A 93 -20.051 2.716 -4.957 1.00 64.31 C ATOM 1503 CG PRO A 93 -20.567 4.069 -5.317 1.00 30.24 C ATOM 1504 CD PRO A 93 -19.504 5.053 -4.901 1.00 73.21 C ATOM 0 HA PRO A 93 -17.972 2.173 -4.415 1.00 52.41 H new ATOM 0 HB2 PRO A 93 -20.459 1.951 -5.617 1.00 64.31 H new ATOM 0 HB3 PRO A 93 -20.335 2.444 -3.940 1.00 64.31 H new ATOM 0 HG2 PRO A 93 -20.763 4.138 -6.387 1.00 30.24 H new ATOM 0 HG3 PRO A 93 -21.508 4.275 -4.807 1.00 30.24 H new ATOM 0 HD2 PRO A 93 -19.416 5.870 -5.618 1.00 73.21 H new ATOM 0 HD3 PRO A 93 -19.733 5.501 -3.934 1.00 73.21 H new ATOM 1512 N HIS A 94 -17.583 1.105 -6.576 1.00 21.21 N ATOM 1513 CA HIS A 94 -17.110 0.489 -7.843 1.00 45.34 C ATOM 1514 C HIS A 94 -16.012 1.339 -8.518 1.00 60.20 C ATOM 1515 O HIS A 94 -15.993 1.506 -9.745 1.00 61.45 O ATOM 1516 CB HIS A 94 -18.290 0.244 -8.813 1.00 53.42 C ATOM 1517 CG HIS A 94 -19.353 -0.658 -8.260 1.00 13.53 C ATOM 1518 ND1 HIS A 94 -19.279 -2.033 -8.273 1.00 25.22 N ATOM 1519 CD2 HIS A 94 -20.532 -0.352 -7.660 1.00 61.31 C ATOM 1520 CE1 HIS A 94 -20.390 -2.510 -7.695 1.00 14.10 C ATOM 1521 NE2 HIS A 94 -21.183 -1.531 -7.305 1.00 70.34 N ATOM 0 H HIS A 94 -17.493 0.490 -5.767 1.00 21.21 H new ATOM 0 HA HIS A 94 -16.668 -0.475 -7.590 1.00 45.34 H new ATOM 0 HB2 HIS A 94 -18.739 1.203 -9.073 1.00 53.42 H new ATOM 0 HB3 HIS A 94 -17.905 -0.188 -9.737 1.00 53.42 H new ATOM 0 HD2 HIS A 94 -20.905 0.646 -7.486 1.00 61.31 H new ATOM 0 HE1 HIS A 94 -20.608 -3.560 -7.565 1.00 14.10 H new ATOM 0 HE2 HIS A 94 -22.086 -1.619 -6.840 1.00 70.34 H new ATOM 1529 N ALA A 95 -15.088 1.854 -7.697 1.00 4.51 N ATOM 1530 CA ALA A 95 -13.994 2.692 -8.180 1.00 71.05 C ATOM 1531 C ALA A 95 -12.635 2.113 -7.812 1.00 4.34 C ATOM 1532 O ALA A 95 -12.396 1.725 -6.665 1.00 71.42 O ATOM 1533 CB ALA A 95 -14.137 4.105 -7.633 1.00 13.05 C ATOM 0 H ALA A 95 -15.081 1.701 -6.689 1.00 4.51 H new ATOM 0 HA ALA A 95 -14.052 2.722 -9.268 1.00 71.05 H new ATOM 0 HB1 ALA A 95 -13.316 4.722 -7.999 1.00 13.05 H new ATOM 0 HB2 ALA A 95 -15.085 4.529 -7.964 1.00 13.05 H new ATOM 0 HB3 ALA A 95 -14.112 4.078 -6.544 1.00 13.05 H new ATOM 1539 N THR A 96 -11.757 2.066 -8.815 1.00 34.22 N ATOM 1540 CA THR A 96 -10.390 1.553 -8.671 1.00 13.14 C ATOM 1541 C THR A 96 -9.457 2.632 -8.102 1.00 22.22 C ATOM 1542 O THR A 96 -9.542 3.803 -8.482 1.00 73.11 O ATOM 1543 CB THR A 96 -9.855 1.055 -10.038 1.00 32.40 C ATOM 1544 OG1 THR A 96 -10.852 0.256 -10.689 1.00 74.25 O ATOM 1545 CG2 THR A 96 -8.578 0.229 -9.890 1.00 64.35 C ATOM 0 H THR A 96 -11.975 2.385 -9.759 1.00 34.22 H new ATOM 0 HA THR A 96 -10.414 0.716 -7.973 1.00 13.14 H new ATOM 0 HB THR A 96 -9.622 1.937 -10.634 1.00 32.40 H new ATOM 0 HG1 THR A 96 -11.303 0.791 -11.375 1.00 74.25 H new ATOM 0 HG21 THR A 96 -8.240 -0.098 -10.873 1.00 64.35 H new ATOM 0 HG22 THR A 96 -7.803 0.838 -9.424 1.00 64.35 H new ATOM 0 HG23 THR A 96 -8.779 -0.642 -9.267 1.00 64.35 H new ATOM 1553 N LEU A 97 -8.574 2.210 -7.191 1.00 71.52 N ATOM 1554 CA LEU A 97 -7.620 3.109 -6.543 1.00 52.44 C ATOM 1555 C LEU A 97 -6.183 2.704 -6.865 1.00 25.12 C ATOM 1556 O LEU A 97 -5.901 1.526 -7.106 1.00 65.13 O ATOM 1557 CB LEU A 97 -7.835 3.095 -5.022 1.00 65.44 C ATOM 1558 CG LEU A 97 -9.267 3.385 -4.548 1.00 4.14 C ATOM 1559 CD1 LEU A 97 -9.573 2.606 -3.281 1.00 14.14 C ATOM 1560 CD2 LEU A 97 -9.476 4.874 -4.323 1.00 45.25 C ATOM 0 H LEU A 97 -8.502 1.240 -6.885 1.00 71.52 H new ATOM 0 HA LEU A 97 -7.788 4.116 -6.924 1.00 52.44 H new ATOM 0 HB2 LEU A 97 -7.537 2.118 -4.641 1.00 65.44 H new ATOM 0 HB3 LEU A 97 -7.167 3.830 -4.573 1.00 65.44 H new ATOM 0 HG LEU A 97 -9.955 3.063 -5.330 1.00 4.14 H new ATOM 0 HD11 LEU A 97 -10.591 2.822 -2.958 1.00 14.14 H new ATOM 0 HD12 LEU A 97 -9.474 1.538 -3.477 1.00 14.14 H new ATOM 0 HD13 LEU A 97 -8.874 2.897 -2.497 1.00 14.14 H new ATOM 0 HD21 LEU A 97 -10.498 5.051 -3.988 1.00 45.25 H new ATOM 0 HD22 LEU A 97 -8.779 5.229 -3.564 1.00 45.25 H new ATOM 0 HD23 LEU A 97 -9.302 5.411 -5.255 1.00 45.25 H new ATOM 1572 N VAL A 98 -5.284 3.693 -6.864 1.00 33.31 N ATOM 1573 CA VAL A 98 -3.862 3.467 -7.149 1.00 60.04 C ATOM 1574 C VAL A 98 -3.024 3.878 -5.933 1.00 55.00 C ATOM 1575 O VAL A 98 -3.190 4.979 -5.405 1.00 63.34 O ATOM 1576 CB VAL A 98 -3.390 4.258 -8.413 1.00 0.44 C ATOM 1577 CG1 VAL A 98 -1.947 3.918 -8.791 1.00 51.44 C ATOM 1578 CG2 VAL A 98 -4.309 3.997 -9.603 1.00 72.32 C ATOM 0 H VAL A 98 -5.518 4.666 -6.667 1.00 33.31 H new ATOM 0 HA VAL A 98 -3.724 2.405 -7.354 1.00 60.04 H new ATOM 0 HB VAL A 98 -3.436 5.316 -8.156 1.00 0.44 H new ATOM 0 HG11 VAL A 98 -1.658 4.488 -9.674 1.00 51.44 H new ATOM 0 HG12 VAL A 98 -1.285 4.171 -7.963 1.00 51.44 H new ATOM 0 HG13 VAL A 98 -1.869 2.852 -9.006 1.00 51.44 H new ATOM 0 HG21 VAL A 98 -3.955 4.560 -10.466 1.00 72.32 H new ATOM 0 HG22 VAL A 98 -4.306 2.933 -9.838 1.00 72.32 H new ATOM 0 HG23 VAL A 98 -5.323 4.311 -9.355 1.00 72.32 H new ATOM 1588 N PHE A 99 -2.133 2.983 -5.500 1.00 53.41 N ATOM 1589 CA PHE A 99 -1.264 3.245 -4.348 1.00 43.43 C ATOM 1590 C PHE A 99 0.191 2.935 -4.677 1.00 54.24 C ATOM 1591 O PHE A 99 0.492 1.891 -5.260 1.00 52.42 O ATOM 1592 CB PHE A 99 -1.700 2.410 -3.140 1.00 34.44 C ATOM 1593 CG PHE A 99 -3.007 2.834 -2.535 1.00 35.13 C ATOM 1594 CD1 PHE A 99 -4.187 2.235 -2.936 1.00 2.50 C ATOM 1595 CD2 PHE A 99 -3.054 3.819 -1.561 1.00 32.20 C ATOM 1596 CE1 PHE A 99 -5.395 2.609 -2.379 1.00 43.45 C ATOM 1597 CE2 PHE A 99 -4.259 4.199 -1.001 1.00 71.30 C ATOM 1598 CZ PHE A 99 -5.431 3.593 -1.410 1.00 42.42 C ATOM 0 H PHE A 99 -1.994 2.069 -5.930 1.00 53.41 H new ATOM 0 HA PHE A 99 -1.353 4.304 -4.105 1.00 43.43 H new ATOM 0 HB2 PHE A 99 -1.775 1.366 -3.443 1.00 34.44 H new ATOM 0 HB3 PHE A 99 -0.925 2.465 -2.376 1.00 34.44 H new ATOM 0 HD1 PHE A 99 -4.164 1.466 -3.694 1.00 2.50 H new ATOM 0 HD2 PHE A 99 -2.140 4.294 -1.237 1.00 32.20 H new ATOM 0 HE1 PHE A 99 -6.309 2.133 -2.701 1.00 43.45 H new ATOM 0 HE2 PHE A 99 -4.284 4.969 -0.244 1.00 71.30 H new ATOM 0 HZ PHE A 99 -6.374 3.888 -0.973 1.00 42.42 H new ATOM 1608 N ASP A 100 1.083 3.854 -4.300 1.00 61.54 N ATOM 1609 CA ASP A 100 2.516 3.690 -4.532 1.00 40.34 C ATOM 1610 C ASP A 100 3.261 3.615 -3.194 1.00 51.50 C ATOM 1611 O ASP A 100 3.426 4.629 -2.505 1.00 33.42 O ATOM 1612 CB ASP A 100 3.050 4.846 -5.397 1.00 33.13 C ATOM 1613 CG ASP A 100 4.387 4.532 -6.050 1.00 31.24 C ATOM 1614 OD1 ASP A 100 4.394 4.155 -7.241 1.00 54.54 O ATOM 1615 OD2 ASP A 100 5.426 4.665 -5.369 1.00 62.02 O ATOM 0 H ASP A 100 0.834 4.724 -3.830 1.00 61.54 H new ATOM 0 HA ASP A 100 2.686 2.757 -5.070 1.00 40.34 H new ATOM 0 HB2 ASP A 100 2.320 5.080 -6.172 1.00 33.13 H new ATOM 0 HB3 ASP A 100 3.155 5.737 -4.778 1.00 33.13 H new ATOM 1620 N VAL A 101 3.690 2.401 -2.828 1.00 2.04 N ATOM 1621 CA VAL A 101 4.419 2.186 -1.575 1.00 60.42 C ATOM 1622 C VAL A 101 5.896 1.906 -1.842 1.00 12.12 C ATOM 1623 O VAL A 101 6.262 1.415 -2.915 1.00 50.32 O ATOM 1624 CB VAL A 101 3.810 1.041 -0.699 1.00 11.15 C ATOM 1625 CG1 VAL A 101 2.354 1.330 -0.351 1.00 31.41 C ATOM 1626 CG2 VAL A 101 3.925 -0.333 -1.364 1.00 41.23 C ATOM 0 H VAL A 101 3.545 1.556 -3.381 1.00 2.04 H new ATOM 0 HA VAL A 101 4.322 3.112 -1.008 1.00 60.42 H new ATOM 0 HB VAL A 101 4.398 1.013 0.218 1.00 11.15 H new ATOM 0 HG11 VAL A 101 1.957 0.518 0.258 1.00 31.41 H new ATOM 0 HG12 VAL A 101 2.292 2.265 0.206 1.00 31.41 H new ATOM 0 HG13 VAL A 101 1.771 1.414 -1.268 1.00 31.41 H new ATOM 0 HG21 VAL A 101 3.487 -1.090 -0.713 1.00 41.23 H new ATOM 0 HG22 VAL A 101 3.394 -0.322 -2.316 1.00 41.23 H new ATOM 0 HG23 VAL A 101 4.976 -0.567 -1.537 1.00 41.23 H new ATOM 1636 N GLU A 102 6.727 2.224 -0.853 1.00 33.11 N ATOM 1637 CA GLU A 102 8.171 2.008 -0.949 1.00 1.22 C ATOM 1638 C GLU A 102 8.686 1.296 0.299 1.00 51.22 C ATOM 1639 O GLU A 102 8.481 1.769 1.420 1.00 12.21 O ATOM 1640 CB GLU A 102 8.926 3.337 -1.180 1.00 41.11 C ATOM 1641 CG GLU A 102 8.575 4.467 -0.210 1.00 34.12 C ATOM 1642 CD GLU A 102 9.338 5.744 -0.502 1.00 72.23 C ATOM 1643 OE1 GLU A 102 10.455 5.904 0.035 1.00 62.13 O ATOM 1644 OE2 GLU A 102 8.820 6.584 -1.267 1.00 41.33 O ATOM 0 H GLU A 102 6.424 2.635 0.030 1.00 33.11 H new ATOM 0 HA GLU A 102 8.361 1.371 -1.813 1.00 1.22 H new ATOM 0 HB2 GLU A 102 9.997 3.143 -1.114 1.00 41.11 H new ATOM 0 HB3 GLU A 102 8.726 3.677 -2.196 1.00 41.11 H new ATOM 0 HG2 GLU A 102 7.505 4.667 -0.263 1.00 34.12 H new ATOM 0 HG3 GLU A 102 8.789 4.145 0.809 1.00 34.12 H new ATOM 1651 N LEU A 103 9.370 0.166 0.084 1.00 24.24 N ATOM 1652 CA LEU A 103 9.931 -0.643 1.172 1.00 4.34 C ATOM 1653 C LEU A 103 11.157 0.062 1.778 1.00 3.51 C ATOM 1654 O LEU A 103 12.251 0.036 1.203 1.00 64.00 O ATOM 1655 CB LEU A 103 10.329 -2.033 0.619 1.00 3.14 C ATOM 1656 CG LEU A 103 9.871 -3.303 1.388 1.00 43.24 C ATOM 1657 CD1 LEU A 103 10.308 -3.300 2.849 1.00 32.51 C ATOM 1658 CD2 LEU A 103 8.365 -3.509 1.281 1.00 21.32 C ATOM 0 H LEU A 103 9.550 -0.212 -0.846 1.00 24.24 H new ATOM 0 HA LEU A 103 9.184 -0.767 1.956 1.00 4.34 H new ATOM 0 HB2 LEU A 103 9.944 -2.106 -0.398 1.00 3.14 H new ATOM 0 HB3 LEU A 103 11.416 -2.062 0.551 1.00 3.14 H new ATOM 0 HG LEU A 103 10.371 -4.143 0.906 1.00 43.24 H new ATOM 0 HD11 LEU A 103 9.960 -4.211 3.335 1.00 32.51 H new ATOM 0 HD12 LEU A 103 11.396 -3.253 2.903 1.00 32.51 H new ATOM 0 HD13 LEU A 103 9.882 -2.434 3.355 1.00 32.51 H new ATOM 0 HD21 LEU A 103 8.081 -4.406 1.831 1.00 21.32 H new ATOM 0 HD22 LEU A 103 7.849 -2.646 1.702 1.00 21.32 H new ATOM 0 HD23 LEU A 103 8.087 -3.622 0.233 1.00 21.32 H new ATOM 1670 N LEU A 104 10.952 0.722 2.926 1.00 4.14 N ATOM 1671 CA LEU A 104 12.022 1.457 3.605 1.00 44.13 C ATOM 1672 C LEU A 104 12.792 0.555 4.574 1.00 0.54 C ATOM 1673 O LEU A 104 14.009 0.398 4.442 1.00 14.41 O ATOM 1674 CB LEU A 104 11.438 2.678 4.344 1.00 71.51 C ATOM 1675 CG LEU A 104 10.512 3.580 3.508 1.00 54.14 C ATOM 1676 CD1 LEU A 104 9.539 4.332 4.401 1.00 73.51 C ATOM 1677 CD2 LEU A 104 11.322 4.558 2.667 1.00 62.23 C ATOM 0 H LEU A 104 10.051 0.760 3.403 1.00 4.14 H new ATOM 0 HA LEU A 104 12.728 1.805 2.850 1.00 44.13 H new ATOM 0 HB2 LEU A 104 10.883 2.323 5.213 1.00 71.51 H new ATOM 0 HB3 LEU A 104 12.264 3.283 4.718 1.00 71.51 H new ATOM 0 HG LEU A 104 9.940 2.940 2.836 1.00 54.14 H new ATOM 0 HD11 LEU A 104 8.895 4.963 3.788 1.00 73.51 H new ATOM 0 HD12 LEU A 104 8.928 3.619 4.955 1.00 73.51 H new ATOM 0 HD13 LEU A 104 10.095 4.954 5.102 1.00 73.51 H new ATOM 0 HD21 LEU A 104 10.646 5.184 2.085 1.00 62.23 H new ATOM 0 HD22 LEU A 104 11.926 5.186 3.321 1.00 62.23 H new ATOM 0 HD23 LEU A 104 11.974 4.004 1.992 1.00 62.23 H new HETATM 1689 N MLY A 105 12.073 -0.033 5.547 1.00 1.45 N HETATM 1690 CA MLY A 105 12.673 -0.924 6.552 1.00 43.20 C HETATM 1691 CB MLY A 105 13.535 -0.123 7.565 1.00 74.32 C HETATM 1692 CG MLY A 105 12.776 0.919 8.390 1.00 22.12 C HETATM 1693 CD MLY A 105 13.717 1.906 9.072 1.00 71.52 C HETATM 1694 CE MLY A 105 13.831 1.628 10.564 1.00 2.14 C HETATM 1695 NZ MLY A 105 14.751 2.597 11.186 1.00 24.33 N HETATM 1696 CH1 MLY A 105 15.880 1.881 11.800 1.00 41.55 C HETATM 1697 CH2 MLY A 105 14.038 3.361 12.221 1.00 22.51 C HETATM 1698 C MLY A 105 11.589 -1.746 7.269 1.00 74.02 C HETATM 1699 O MLY A 105 10.392 -1.506 7.081 1.00 23.23 O HETATM 0 HH23 MLY A 105 13.202 3.895 11.768 1.00 22.51 H new HETATM 0 HH22 MLY A 105 13.662 2.678 12.983 1.00 22.51 H new HETATM 0 HH21 MLY A 105 14.720 4.077 12.680 1.00 22.51 H new HETATM 0 HH13 MLY A 105 15.506 1.197 12.561 1.00 41.55 H new HETATM 0 HH12 MLY A 105 16.412 1.316 11.035 1.00 41.55 H new HETATM 0 HH11 MLY A 105 16.559 2.599 12.260 1.00 41.55 H new HETATM 0 HG3 MLY A 105 12.088 1.463 7.742 1.00 22.12 H new HETATM 0 HG2 MLY A 105 12.172 0.414 9.144 1.00 22.12 H new HETATM 0 HE3 MLY A 105 12.848 1.695 11.031 1.00 2.14 H new HETATM 0 HE2 MLY A 105 14.193 0.613 10.727 1.00 2.14 H new HETATM 0 HD3 MLY A 105 14.704 1.846 8.613 1.00 71.52 H new HETATM 0 HD2 MLY A 105 13.355 2.922 8.917 1.00 71.52 H new HETATM 0 HB3 MLY A 105 14.011 -0.827 8.248 1.00 74.32 H new HETATM 0 HB2 MLY A 105 14.333 0.381 7.019 1.00 74.32 H new HETATM 0 HA MLY A 105 13.334 -1.620 6.036 1.00 43.20 H new ATOM 1716 N LEU A 106 12.026 -2.708 8.087 1.00 51.44 N ATOM 1717 CA LEU A 106 11.110 -3.571 8.838 1.00 50.34 C ATOM 1718 C LEU A 106 11.430 -3.530 10.328 1.00 15.14 C ATOM 1719 O LEU A 106 12.597 -3.414 10.714 1.00 24.35 O ATOM 1720 CB LEU A 106 11.187 -5.022 8.332 1.00 64.41 C ATOM 1721 CG LEU A 106 11.029 -5.222 6.813 1.00 43.31 C ATOM 1722 CD1 LEU A 106 11.607 -6.564 6.394 1.00 23.33 C ATOM 1723 CD2 LEU A 106 9.566 -5.126 6.394 1.00 3.23 C ATOM 0 H LEU A 106 13.013 -2.909 8.246 1.00 51.44 H new ATOM 0 HA LEU A 106 10.098 -3.197 8.682 1.00 50.34 H new ATOM 0 HB2 LEU A 106 12.147 -5.440 8.634 1.00 64.41 H new ATOM 0 HB3 LEU A 106 10.414 -5.602 8.836 1.00 64.41 H new ATOM 0 HG LEU A 106 11.579 -4.426 6.310 1.00 43.31 H new ATOM 0 HD11 LEU A 106 11.488 -6.691 5.318 1.00 23.33 H new ATOM 0 HD12 LEU A 106 12.666 -6.599 6.649 1.00 23.33 H new ATOM 0 HD13 LEU A 106 11.082 -7.365 6.914 1.00 23.33 H new ATOM 0 HD21 LEU A 106 9.486 -5.271 5.317 1.00 3.23 H new ATOM 0 HD22 LEU A 106 8.989 -5.895 6.908 1.00 3.23 H new ATOM 0 HD23 LEU A 106 9.176 -4.143 6.658 1.00 3.23 H new ATOM 1735 N GLU A 107 10.384 -3.626 11.155 1.00 12.24 N ATOM 1736 CA GLU A 107 10.541 -3.603 12.610 1.00 25.05 C ATOM 1737 C GLU A 107 9.859 -4.808 13.249 1.00 14.04 C ATOM 1738 O GLU A 107 10.465 -5.869 13.399 1.00 15.01 O ATOM 1739 CB GLU A 107 9.968 -2.308 13.201 1.00 65.53 C ATOM 1740 CG GLU A 107 10.744 -1.054 12.825 1.00 41.44 C ATOM 1741 CD GLU A 107 10.307 0.162 13.620 1.00 62.30 C ATOM 1742 OE1 GLU A 107 11.035 0.550 14.558 1.00 0.45 O ATOM 1743 OE2 GLU A 107 9.236 0.724 13.307 1.00 25.40 O ATOM 0 H GLU A 107 9.419 -3.720 10.839 1.00 12.24 H new ATOM 0 HA GLU A 107 11.608 -3.647 12.828 1.00 25.05 H new ATOM 0 HB2 GLU A 107 8.936 -2.196 12.869 1.00 65.53 H new ATOM 0 HB3 GLU A 107 9.946 -2.396 14.287 1.00 65.53 H new ATOM 0 HG2 GLU A 107 11.808 -1.227 12.988 1.00 41.44 H new ATOM 0 HG3 GLU A 107 10.612 -0.855 11.761 1.00 41.44 H new TER 1750 GLU A 107