USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=23 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 Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN :FLIP amide:sc=-0.00251 F(o=-2.5!,f=-0.0025) 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+ -156:sc=-0.00215 (180deg=-0.251) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -1.34 F(o=-3.4!,f=-1.3) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00471 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.151 USER MOD Single : A 25 HIS : no HD1:sc= -2.05 X(o=-2,f=-1.7) 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 -169:sc= 0 (180deg=-0.086) USER MOD Single : A 38 SER OG : rot -150:sc= -0.64 USER MOD Single : A 39 SER OG : rot -53:sc= 0.532 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -1! X(o=-1!,f=-1.3) USER MOD Single : A 66 MET CE :methyl -177:sc= -2.76! (180deg=-2.9!) USER MOD Single : A 67 SER OG : rot -100:sc= 0.498 USER MOD Single : A 70 GLN :FLIP amide:sc= -0.825 F(o=-1.7,f=-0.83) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -73:sc= 1.19 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 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= -0.184 X(o=-0.18,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 100:sc= 0.0915 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -11.115 -14.544 -17.069 1.00 23.20 N ATOM 2 CA GLY A -3 -11.392 -15.080 -15.749 1.00 43.12 C ATOM 3 C GLY A -3 -10.349 -14.662 -14.718 1.00 10.33 C ATOM 4 O GLY A -3 -9.455 -15.454 -14.409 1.00 34.23 O ATOM 0 H1 GLY A -3 -11.998 -14.494 -17.616 1.00 23.20 H new ATOM 0 H2 GLY A -3 -10.710 -13.590 -16.978 1.00 23.20 H new ATOM 0 H3 GLY A -3 -10.438 -15.163 -17.560 1.00 23.20 H new ATOM 0 HA2 GLY A -3 -12.376 -14.743 -15.423 1.00 43.12 H new ATOM 0 HA3 GLY A -3 -11.429 -16.168 -15.803 1.00 43.12 H new ATOM 8 N PRO A -2 -10.429 -13.414 -14.157 1.00 43.42 N ATOM 9 CA PRO A -2 -9.468 -12.920 -13.152 1.00 72.12 C ATOM 10 C PRO A -2 -9.697 -13.525 -11.765 1.00 24.33 C ATOM 11 O PRO A -2 -10.799 -13.991 -11.459 1.00 1.42 O ATOM 12 CB PRO A -2 -9.721 -11.400 -13.111 1.00 65.32 C ATOM 13 CG PRO A -2 -10.673 -11.111 -14.228 1.00 23.11 C ATOM 14 CD PRO A -2 -11.437 -12.379 -14.461 1.00 3.14 C ATOM 0 HA PRO A -2 -8.446 -13.191 -13.419 1.00 72.12 H new ATOM 0 HB2 PRO A -2 -10.142 -11.100 -12.152 1.00 65.32 H new ATOM 0 HB3 PRO A -2 -8.791 -10.846 -13.238 1.00 65.32 H new ATOM 0 HG2 PRO A -2 -11.345 -10.294 -13.966 1.00 23.11 H new ATOM 0 HG3 PRO A -2 -10.138 -10.808 -15.128 1.00 23.11 H new ATOM 0 HD2 PRO A -2 -12.307 -12.455 -13.809 1.00 3.14 H new ATOM 0 HD3 PRO A -2 -11.799 -12.453 -15.486 1.00 3.14 H new ATOM 22 N SER A -1 -8.646 -13.511 -10.941 1.00 54.30 N ATOM 23 CA SER A -1 -8.710 -14.054 -9.582 1.00 74.21 C ATOM 24 C SER A -1 -8.360 -12.989 -8.541 1.00 44.31 C ATOM 25 O SER A -1 -9.020 -12.892 -7.503 1.00 24.24 O ATOM 26 CB SER A -1 -7.769 -15.254 -9.445 1.00 35.31 C ATOM 27 OG SER A -1 -8.121 -16.285 -10.351 1.00 34.24 O ATOM 0 H SER A -1 -7.735 -13.127 -11.194 1.00 54.30 H new ATOM 0 HA SER A -1 -9.734 -14.381 -9.400 1.00 74.21 H new ATOM 0 HB2 SER A -1 -6.742 -14.938 -9.630 1.00 35.31 H new ATOM 0 HB3 SER A -1 -7.806 -15.634 -8.424 1.00 35.31 H new ATOM 0 HG SER A -1 -7.504 -17.039 -10.245 1.00 34.24 H new ATOM 33 N MET A 0 -7.319 -12.196 -8.829 1.00 71.24 N ATOM 34 CA MET A 0 -6.871 -11.134 -7.925 1.00 20.33 C ATOM 35 C MET A 0 -7.033 -9.764 -8.574 1.00 73.21 C ATOM 36 O MET A 0 -6.791 -9.607 -9.775 1.00 22.03 O ATOM 37 CB MET A 0 -5.407 -11.347 -7.525 1.00 31.50 C ATOM 38 CG MET A 0 -5.196 -12.493 -6.547 1.00 40.30 C ATOM 39 SD MET A 0 -3.462 -12.723 -6.110 1.00 23.03 S ATOM 40 CE MET A 0 -3.578 -14.113 -4.986 1.00 60.20 C ATOM 0 H MET A 0 -6.771 -12.273 -9.686 1.00 71.24 H new ATOM 0 HA MET A 0 -7.493 -11.174 -7.030 1.00 20.33 H new ATOM 0 HB2 MET A 0 -4.819 -11.536 -8.423 1.00 31.50 H new ATOM 0 HB3 MET A 0 -5.024 -10.428 -7.081 1.00 31.50 H new ATOM 0 HG2 MET A 0 -5.773 -12.304 -5.642 1.00 40.30 H new ATOM 0 HG3 MET A 0 -5.582 -13.414 -6.984 1.00 40.30 H new ATOM 0 HE1 MET A 0 -2.582 -14.376 -4.628 1.00 60.20 H new ATOM 0 HE2 MET A 0 -4.209 -13.844 -4.139 1.00 60.20 H new ATOM 0 HE3 MET A 0 -4.013 -14.966 -5.506 1.00 60.20 H new ATOM 50 N GLY A 1 -7.443 -8.781 -7.767 1.00 60.01 N ATOM 51 CA GLY A 1 -7.635 -7.423 -8.260 1.00 13.55 C ATOM 52 C GLY A 1 -6.557 -6.465 -7.782 1.00 3.14 C ATOM 53 O GLY A 1 -6.842 -5.295 -7.510 1.00 44.31 O ATOM 0 H GLY A 1 -7.646 -8.904 -6.775 1.00 60.01 H new ATOM 0 HA2 GLY A 1 -7.646 -7.435 -9.350 1.00 13.55 H new ATOM 0 HA3 GLY A 1 -8.609 -7.058 -7.935 1.00 13.55 H new ATOM 57 N VAL A 2 -5.320 -6.964 -7.684 1.00 52.34 N ATOM 58 CA VAL A 2 -4.185 -6.154 -7.239 1.00 33.20 C ATOM 59 C VAL A 2 -2.953 -6.412 -8.129 1.00 63.10 C ATOM 60 O VAL A 2 -2.479 -7.547 -8.236 1.00 55.34 O ATOM 61 CB VAL A 2 -3.879 -6.391 -5.714 1.00 71.54 C ATOM 62 CG1 VAL A 2 -3.470 -7.834 -5.403 1.00 32.31 C ATOM 63 CG2 VAL A 2 -2.830 -5.411 -5.190 1.00 64.22 C ATOM 0 H VAL A 2 -5.081 -7.930 -7.908 1.00 52.34 H new ATOM 0 HA VAL A 2 -4.449 -5.102 -7.345 1.00 33.20 H new ATOM 0 HB VAL A 2 -4.817 -6.205 -5.191 1.00 71.54 H new ATOM 0 HG11 VAL A 2 -3.272 -7.934 -4.336 1.00 32.31 H new ATOM 0 HG12 VAL A 2 -4.276 -8.510 -5.688 1.00 32.31 H new ATOM 0 HG13 VAL A 2 -2.570 -8.086 -5.964 1.00 32.31 H new ATOM 0 HG21 VAL A 2 -2.645 -5.606 -4.134 1.00 64.22 H new ATOM 0 HG22 VAL A 2 -1.903 -5.537 -5.750 1.00 64.22 H new ATOM 0 HG23 VAL A 2 -3.192 -4.390 -5.313 1.00 64.22 H new ATOM 73 N GLN A 3 -2.461 -5.343 -8.766 1.00 54.51 N ATOM 74 CA GLN A 3 -1.295 -5.428 -9.650 1.00 12.04 C ATOM 75 C GLN A 3 -0.162 -4.544 -9.134 1.00 65.23 C ATOM 76 O GLN A 3 -0.325 -3.326 -9.001 1.00 65.11 O ATOM 77 CB GLN A 3 -1.660 -5.021 -11.088 1.00 73.14 C ATOM 78 CG GLN A 3 -2.725 -5.899 -11.738 1.00 31.23 C ATOM 79 CD GLN A 3 -4.114 -5.298 -11.633 1.00 1.13 C ATOM 80 OE1 GLN A 3 -4.797 -5.570 -10.527 1.00 52.13 O flip ATOM 81 NE2 GLN A 3 -4.565 -4.588 -12.532 1.00 15.44 N flip ATOM 0 H GLN A 3 -2.855 -4.406 -8.684 1.00 54.51 H new ATOM 0 HA GLN A 3 -0.960 -6.465 -9.657 1.00 12.04 H new ATOM 0 HB2 GLN A 3 -2.010 -3.989 -11.083 1.00 73.14 H new ATOM 0 HB3 GLN A 3 -0.759 -5.049 -11.701 1.00 73.14 H new ATOM 0 HG2 GLN A 3 -2.476 -6.050 -12.788 1.00 31.23 H new ATOM 0 HG3 GLN A 3 -2.720 -6.881 -11.265 1.00 31.23 H new ATOM 0 HE21 GLN A 3 -4.006 -4.404 -13.365 1.00 15.44 H new ATOM 0 HE22 GLN A 3 -5.497 -4.183 -12.443 1.00 15.44 H new ATOM 90 N VAL A 4 0.981 -5.168 -8.841 1.00 15.11 N ATOM 91 CA VAL A 4 2.154 -4.452 -8.336 1.00 21.25 C ATOM 92 C VAL A 4 3.240 -4.396 -9.414 1.00 0.04 C ATOM 93 O VAL A 4 3.634 -5.428 -9.965 1.00 62.43 O ATOM 94 CB VAL A 4 2.716 -5.104 -7.034 1.00 41.33 C ATOM 95 CG1 VAL A 4 3.777 -4.226 -6.378 1.00 50.31 C ATOM 96 CG2 VAL A 4 1.605 -5.406 -6.036 1.00 13.43 C ATOM 0 H VAL A 4 1.119 -6.173 -8.946 1.00 15.11 H new ATOM 0 HA VAL A 4 1.842 -3.438 -8.086 1.00 21.25 H new ATOM 0 HB VAL A 4 3.181 -6.044 -7.331 1.00 41.33 H new ATOM 0 HG11 VAL A 4 4.145 -4.713 -5.475 1.00 50.31 H new ATOM 0 HG12 VAL A 4 4.604 -4.076 -7.071 1.00 50.31 H new ATOM 0 HG13 VAL A 4 3.341 -3.261 -6.118 1.00 50.31 H new ATOM 0 HG21 VAL A 4 2.033 -5.859 -5.142 1.00 13.43 H new ATOM 0 HG22 VAL A 4 1.097 -4.480 -5.766 1.00 13.43 H new ATOM 0 HG23 VAL A 4 0.890 -6.095 -6.485 1.00 13.43 H new ATOM 106 N GLU A 5 3.711 -3.177 -9.698 1.00 43.11 N ATOM 107 CA GLU A 5 4.748 -2.950 -10.711 1.00 1.02 C ATOM 108 C GLU A 5 6.007 -2.393 -10.058 1.00 74.44 C ATOM 109 O GLU A 5 5.961 -1.351 -9.400 1.00 42.12 O ATOM 110 CB GLU A 5 4.271 -1.971 -11.806 1.00 22.54 C ATOM 111 CG GLU A 5 2.760 -1.898 -11.990 1.00 62.44 C ATOM 112 CD GLU A 5 2.354 -1.000 -13.142 1.00 45.30 C ATOM 113 OE1 GLU A 5 2.242 -1.506 -14.279 1.00 72.23 O ATOM 114 OE2 GLU A 5 2.149 0.209 -12.908 1.00 20.43 O ATOM 0 H GLU A 5 3.388 -2.327 -9.237 1.00 43.11 H new ATOM 0 HA GLU A 5 4.963 -3.911 -11.177 1.00 1.02 H new ATOM 0 HB2 GLU A 5 4.642 -0.974 -11.568 1.00 22.54 H new ATOM 0 HB3 GLU A 5 4.724 -2.261 -12.754 1.00 22.54 H new ATOM 0 HG2 GLU A 5 2.370 -2.901 -12.162 1.00 62.44 H new ATOM 0 HG3 GLU A 5 2.303 -1.532 -11.071 1.00 62.44 H new ATOM 121 N THR A 6 7.134 -3.087 -10.262 1.00 42.11 N ATOM 122 CA THR A 6 8.423 -2.676 -9.694 1.00 74.15 C ATOM 123 C THR A 6 9.034 -1.526 -10.498 1.00 12.12 C ATOM 124 O THR A 6 9.197 -1.621 -11.718 1.00 51.21 O ATOM 125 CB THR A 6 9.416 -3.867 -9.631 1.00 0.24 C ATOM 126 OG1 THR A 6 8.751 -5.029 -9.118 1.00 2.23 O ATOM 127 CG2 THR A 6 10.631 -3.560 -8.751 1.00 50.35 C ATOM 0 H THR A 6 7.178 -3.940 -10.819 1.00 42.11 H new ATOM 0 HA THR A 6 8.236 -2.331 -8.677 1.00 74.15 H new ATOM 0 HB THR A 6 9.769 -4.046 -10.646 1.00 0.24 H new ATOM 0 HG1 THR A 6 9.382 -5.778 -9.082 1.00 2.23 H new ATOM 0 HG21 THR A 6 11.298 -4.422 -8.737 1.00 50.35 H new ATOM 0 HG22 THR A 6 11.162 -2.697 -9.152 1.00 50.35 H new ATOM 0 HG23 THR A 6 10.299 -3.342 -7.736 1.00 50.35 H new ATOM 135 N ILE A 7 9.361 -0.449 -9.785 1.00 11.44 N ATOM 136 CA ILE A 7 9.947 0.747 -10.390 1.00 72.43 C ATOM 137 C ILE A 7 11.422 0.871 -10.000 1.00 45.55 C ATOM 138 O ILE A 7 12.261 1.232 -10.831 1.00 31.04 O ATOM 139 CB ILE A 7 9.183 2.043 -9.982 1.00 21.20 C ATOM 140 CG1 ILE A 7 7.673 1.752 -9.851 1.00 42.50 C ATOM 141 CG2 ILE A 7 9.434 3.156 -11.008 1.00 0.24 C ATOM 142 CD1 ILE A 7 6.883 2.790 -9.067 1.00 14.43 C ATOM 0 H ILE A 7 9.228 -0.380 -8.776 1.00 11.44 H new ATOM 0 HA ILE A 7 9.862 0.637 -11.471 1.00 72.43 H new ATOM 0 HB ILE A 7 9.555 2.380 -9.014 1.00 21.20 H new ATOM 0 HG12 ILE A 7 7.246 1.671 -10.851 1.00 42.50 H new ATOM 0 HG13 ILE A 7 7.546 0.782 -9.371 1.00 42.50 H new ATOM 0 HG21 ILE A 7 8.894 4.055 -10.710 1.00 0.24 H new ATOM 0 HG22 ILE A 7 10.501 3.373 -11.056 1.00 0.24 H new ATOM 0 HG23 ILE A 7 9.085 2.832 -11.989 1.00 0.24 H new ATOM 0 HD11 ILE A 7 5.834 2.497 -9.030 1.00 14.43 H new ATOM 0 HD12 ILE A 7 7.277 2.857 -8.053 1.00 14.43 H new ATOM 0 HD13 ILE A 7 6.972 3.760 -9.556 1.00 14.43 H new ATOM 154 N SER A 8 11.721 0.568 -8.732 1.00 5.12 N ATOM 155 CA SER A 8 13.083 0.633 -8.214 1.00 32.42 C ATOM 156 C SER A 8 13.433 -0.659 -7.468 1.00 21.20 C ATOM 157 O SER A 8 12.778 -0.993 -6.476 1.00 31.34 O ATOM 158 CB SER A 8 13.246 1.839 -7.286 1.00 74.32 C ATOM 159 OG SER A 8 14.612 2.096 -7.011 1.00 64.33 O ATOM 0 H SER A 8 11.028 0.273 -8.044 1.00 5.12 H new ATOM 0 HA SER A 8 13.766 0.747 -9.056 1.00 32.42 H new ATOM 0 HB2 SER A 8 12.794 2.718 -7.745 1.00 74.32 H new ATOM 0 HB3 SER A 8 12.713 1.657 -6.353 1.00 74.32 H new ATOM 0 HG SER A 8 14.686 2.872 -6.418 1.00 64.33 H new ATOM 165 N PRO A 9 14.472 -1.414 -7.934 1.00 51.01 N ATOM 166 CA PRO A 9 14.887 -2.678 -7.293 1.00 23.32 C ATOM 167 C PRO A 9 15.576 -2.476 -5.935 1.00 51.21 C ATOM 168 O PRO A 9 16.504 -1.670 -5.813 1.00 32.12 O ATOM 169 CB PRO A 9 15.856 -3.286 -8.314 1.00 21.35 C ATOM 170 CG PRO A 9 16.406 -2.126 -9.067 1.00 44.13 C ATOM 171 CD PRO A 9 15.306 -1.109 -9.127 1.00 61.42 C ATOM 0 HA PRO A 9 14.030 -3.311 -7.062 1.00 23.32 H new ATOM 0 HB2 PRO A 9 16.649 -3.846 -7.819 1.00 21.35 H new ATOM 0 HB3 PRO A 9 15.343 -3.980 -8.979 1.00 21.35 H new ATOM 0 HG2 PRO A 9 17.286 -1.719 -8.568 1.00 44.13 H new ATOM 0 HG3 PRO A 9 16.717 -2.424 -10.069 1.00 44.13 H new ATOM 0 HD2 PRO A 9 15.699 -0.093 -9.091 1.00 61.42 H new ATOM 0 HD3 PRO A 9 14.731 -1.196 -10.049 1.00 61.42 H new ATOM 179 N GLY A 10 15.101 -3.217 -4.928 1.00 11.52 N ATOM 180 CA GLY A 10 15.662 -3.131 -3.587 1.00 4.35 C ATOM 181 C GLY A 10 16.651 -4.247 -3.309 1.00 44.33 C ATOM 182 O GLY A 10 17.651 -4.377 -4.020 1.00 23.33 O ATOM 0 H GLY A 10 14.331 -3.880 -5.022 1.00 11.52 H new ATOM 0 HA2 GLY A 10 16.158 -2.168 -3.463 1.00 4.35 H new ATOM 0 HA3 GLY A 10 14.856 -3.171 -2.854 1.00 4.35 H new ATOM 186 N ASP A 11 16.373 -5.053 -2.272 1.00 12.02 N ATOM 187 CA ASP A 11 17.238 -6.181 -1.907 1.00 21.40 C ATOM 188 C ASP A 11 16.910 -7.419 -2.750 1.00 61.45 C ATOM 189 O ASP A 11 17.814 -8.081 -3.267 1.00 53.40 O ATOM 190 CB ASP A 11 17.101 -6.502 -0.415 1.00 15.33 C ATOM 191 CG ASP A 11 17.820 -5.497 0.465 1.00 54.04 C ATOM 192 OD1 ASP A 11 17.135 -4.714 1.155 1.00 2.54 O ATOM 193 OD2 ASP A 11 19.069 -5.494 0.463 1.00 3.25 O ATOM 0 H ASP A 11 15.555 -4.943 -1.673 1.00 12.02 H new ATOM 0 HA ASP A 11 18.270 -5.894 -2.109 1.00 21.40 H new ATOM 0 HB2 ASP A 11 16.045 -6.524 -0.147 1.00 15.33 H new ATOM 0 HB3 ASP A 11 17.499 -7.498 -0.223 1.00 15.33 H new ATOM 198 N GLY A 12 15.607 -7.717 -2.877 1.00 11.03 N ATOM 199 CA GLY A 12 15.152 -8.860 -3.667 1.00 21.20 C ATOM 200 C GLY A 12 15.145 -10.174 -2.895 1.00 63.51 C ATOM 201 O GLY A 12 14.754 -11.210 -3.440 1.00 45.41 O ATOM 0 H GLY A 12 14.856 -7.181 -2.442 1.00 11.03 H new ATOM 0 HA2 GLY A 12 14.146 -8.659 -4.034 1.00 21.20 H new ATOM 0 HA3 GLY A 12 15.795 -8.966 -4.541 1.00 21.20 H new ATOM 205 N ARG A 13 15.578 -10.125 -1.630 1.00 44.41 N ATOM 206 CA ARG A 13 15.634 -11.315 -0.771 1.00 43.15 C ATOM 207 C ARG A 13 15.100 -11.024 0.642 1.00 71.41 C ATOM 208 O ARG A 13 15.070 -11.918 1.496 1.00 75.24 O ATOM 209 CB ARG A 13 17.078 -11.872 -0.705 1.00 13.14 C ATOM 210 CG ARG A 13 18.153 -10.844 -0.344 1.00 22.33 C ATOM 211 CD ARG A 13 19.550 -11.434 -0.457 1.00 60.10 C ATOM 212 NE ARG A 13 20.588 -10.461 -0.099 1.00 42.52 N ATOM 213 CZ ARG A 13 21.887 -10.755 0.063 1.00 33.40 C ATOM 214 NH1 ARG A 13 22.338 -11.998 -0.098 1.00 20.42 N ATOM 215 NH2 ARG A 13 22.740 -9.792 0.387 1.00 61.14 N ATOM 0 H ARG A 13 15.897 -9.269 -1.176 1.00 44.41 H new ATOM 0 HA ARG A 13 14.987 -12.071 -1.216 1.00 43.15 H new ATOM 0 HB2 ARG A 13 17.107 -12.678 0.028 1.00 13.14 H new ATOM 0 HB3 ARG A 13 17.326 -12.311 -1.671 1.00 13.14 H new ATOM 0 HG2 ARG A 13 18.068 -9.980 -1.003 1.00 22.33 H new ATOM 0 HG3 ARG A 13 17.989 -10.487 0.673 1.00 22.33 H new ATOM 0 HD2 ARG A 13 19.629 -12.305 0.194 1.00 60.10 H new ATOM 0 HD3 ARG A 13 19.715 -11.782 -1.477 1.00 60.10 H new ATOM 0 HE ARG A 13 20.302 -9.491 0.036 1.00 42.52 H new ATOM 0 HH11 ARG A 13 21.692 -12.746 -0.349 1.00 20.42 H new ATOM 0 HH12 ARG A 13 23.329 -12.201 0.030 1.00 20.42 H new ATOM 0 HH21 ARG A 13 22.407 -8.836 0.511 1.00 61.14 H new ATOM 0 HH22 ARG A 13 23.729 -10.008 0.512 1.00 61.14 H new ATOM 229 N THR A 14 14.668 -9.778 0.871 1.00 42.14 N ATOM 230 CA THR A 14 14.147 -9.366 2.168 1.00 3.41 C ATOM 231 C THR A 14 12.710 -8.852 2.025 1.00 32.20 C ATOM 232 O THR A 14 12.480 -7.671 1.740 1.00 15.22 O ATOM 233 CB THR A 14 15.052 -8.283 2.808 1.00 43.13 C ATOM 234 OG1 THR A 14 16.433 -8.581 2.557 1.00 71.40 O ATOM 235 CG2 THR A 14 14.833 -8.186 4.314 1.00 52.24 C ATOM 0 H THR A 14 14.672 -9.039 0.168 1.00 42.14 H new ATOM 0 HA THR A 14 14.142 -10.234 2.827 1.00 3.41 H new ATOM 0 HB THR A 14 14.786 -7.328 2.355 1.00 43.13 H new ATOM 0 HG1 THR A 14 16.996 -7.890 2.964 1.00 71.40 H new ATOM 0 HG21 THR A 14 15.485 -7.416 4.728 1.00 52.24 H new ATOM 0 HG22 THR A 14 13.793 -7.927 4.515 1.00 52.24 H new ATOM 0 HG23 THR A 14 15.064 -9.145 4.778 1.00 52.24 H new ATOM 243 N PHE A 15 11.752 -9.762 2.206 1.00 33.20 N ATOM 244 CA PHE A 15 10.332 -9.429 2.108 1.00 11.33 C ATOM 245 C PHE A 15 9.698 -9.318 3.498 1.00 41.44 C ATOM 246 O PHE A 15 10.136 -10.002 4.428 1.00 72.11 O ATOM 247 CB PHE A 15 9.589 -10.487 1.286 1.00 23.11 C ATOM 248 CG PHE A 15 10.034 -10.574 -0.149 1.00 12.42 C ATOM 249 CD1 PHE A 15 9.305 -9.955 -1.150 1.00 65.13 C ATOM 250 CD2 PHE A 15 11.181 -11.273 -0.493 1.00 33.25 C ATOM 251 CE1 PHE A 15 9.712 -10.030 -2.469 1.00 21.24 C ATOM 252 CE2 PHE A 15 11.592 -11.352 -1.808 1.00 12.41 C ATOM 253 CZ PHE A 15 10.857 -10.730 -2.798 1.00 50.43 C ATOM 0 H PHE A 15 11.937 -10.741 2.423 1.00 33.20 H new ATOM 0 HA PHE A 15 10.249 -8.464 1.608 1.00 11.33 H new ATOM 0 HB2 PHE A 15 9.726 -11.460 1.757 1.00 23.11 H new ATOM 0 HB3 PHE A 15 8.522 -10.268 1.312 1.00 23.11 H new ATOM 0 HD1 PHE A 15 8.409 -9.408 -0.898 1.00 65.13 H new ATOM 0 HD2 PHE A 15 11.760 -11.761 0.277 1.00 33.25 H new ATOM 0 HE1 PHE A 15 9.136 -9.542 -3.241 1.00 21.24 H new ATOM 0 HE2 PHE A 15 12.487 -11.900 -2.063 1.00 12.41 H new ATOM 0 HZ PHE A 15 11.177 -10.791 -3.828 1.00 50.43 H new ATOM 263 N PRO A 16 8.651 -8.453 3.667 1.00 13.34 N ATOM 264 CA PRO A 16 7.969 -8.279 4.963 1.00 31.25 C ATOM 265 C PRO A 16 7.221 -9.540 5.412 1.00 31.31 C ATOM 266 O PRO A 16 6.352 -10.051 4.696 1.00 15.10 O ATOM 267 CB PRO A 16 6.995 -7.113 4.731 1.00 64.23 C ATOM 268 CG PRO A 16 6.857 -6.968 3.250 1.00 2.14 C ATOM 269 CD PRO A 16 8.082 -7.572 2.619 1.00 35.24 C ATOM 0 HA PRO A 16 8.684 -8.082 5.762 1.00 31.25 H new ATOM 0 HB2 PRO A 16 6.029 -7.316 5.193 1.00 64.23 H new ATOM 0 HB3 PRO A 16 7.375 -6.194 5.178 1.00 64.23 H new ATOM 0 HG2 PRO A 16 5.957 -7.472 2.898 1.00 2.14 H new ATOM 0 HG3 PRO A 16 6.763 -5.917 2.975 1.00 2.14 H new ATOM 0 HD2 PRO A 16 7.828 -8.137 1.722 1.00 35.24 H new ATOM 0 HD3 PRO A 16 8.793 -6.802 2.320 1.00 35.24 H new HETATM 277 N MLY A 17 7.584 -10.030 6.603 1.00 65.54 N HETATM 278 CA MLY A 17 6.987 -11.239 7.183 1.00 1.40 C HETATM 279 CB MLY A 17 7.992 -11.931 8.117 1.00 3.13 C HETATM 280 CG MLY A 17 9.301 -12.321 7.442 1.00 4.51 C HETATM 281 CD MLY A 17 10.182 -13.147 8.365 1.00 62.24 C HETATM 282 CE MLY A 17 11.521 -12.466 8.615 1.00 72.30 C HETATM 283 NZ MLY A 17 12.284 -13.214 9.629 1.00 51.13 N HETATM 284 CH1 MLY A 17 12.558 -12.342 10.782 1.00 21.43 C HETATM 285 CH2 MLY A 17 13.557 -13.671 9.050 1.00 4.23 C HETATM 286 C MLY A 17 5.702 -10.920 7.946 1.00 62.13 C HETATM 287 O MLY A 17 5.485 -9.781 8.371 1.00 41.31 O HETATM 0 HH23 MLY A 17 13.357 -14.319 8.197 1.00 4.23 H new HETATM 0 HH22 MLY A 17 14.138 -12.809 8.723 1.00 4.23 H new HETATM 0 HH21 MLY A 17 14.121 -14.224 9.801 1.00 4.23 H new HETATM 0 HH13 MLY A 17 13.138 -11.479 10.456 1.00 21.43 H new HETATM 0 HH12 MLY A 17 11.616 -12.004 11.214 1.00 21.43 H new HETATM 0 HH11 MLY A 17 13.123 -12.897 11.532 1.00 21.43 H new HETATM 0 HG3 MLY A 17 9.089 -12.889 6.536 1.00 4.51 H new HETATM 0 HG2 MLY A 17 9.836 -11.422 7.136 1.00 4.51 H new HETATM 0 HE3 MLY A 17 12.090 -12.412 7.687 1.00 72.30 H new HETATM 0 HE2 MLY A 17 11.360 -11.442 8.951 1.00 72.30 H new HETATM 0 HD3 MLY A 17 9.670 -13.304 9.314 1.00 62.24 H new HETATM 0 HD2 MLY A 17 10.349 -14.131 7.926 1.00 62.24 H new HETATM 0 HB3 MLY A 17 8.211 -11.268 8.954 1.00 3.13 H new HETATM 0 HB2 MLY A 17 7.529 -12.826 8.532 1.00 3.13 H new HETATM 0 HA MLY A 17 6.734 -11.910 6.362 1.00 1.40 H new HETATM 0 H MLY A 17 8.539 -9.766 6.845 1.00 65.54 H new ATOM 304 N ARG A 18 4.857 -11.948 8.113 1.00 75.42 N ATOM 305 CA ARG A 18 3.578 -11.822 8.814 1.00 34.53 C ATOM 306 C ARG A 18 3.780 -11.795 10.338 1.00 50.25 C ATOM 307 O ARG A 18 4.378 -12.713 10.910 1.00 2.04 O ATOM 308 CB ARG A 18 2.664 -12.986 8.402 1.00 61.11 C ATOM 309 CG ARG A 18 1.188 -12.788 8.737 1.00 12.50 C ATOM 310 CD ARG A 18 0.349 -13.965 8.263 1.00 23.10 C ATOM 311 NE ARG A 18 -1.065 -13.814 8.622 1.00 72.31 N ATOM 312 CZ ARG A 18 -2.080 -14.440 8.009 1.00 24.01 C ATOM 313 NH1 ARG A 18 -1.862 -15.273 6.992 1.00 2.12 N ATOM 314 NH2 ARG A 18 -3.323 -14.229 8.419 1.00 35.44 N ATOM 0 H ARG A 18 5.044 -12.888 7.765 1.00 75.42 H new ATOM 0 HA ARG A 18 3.110 -10.878 8.535 1.00 34.53 H new ATOM 0 HB2 ARG A 18 2.761 -13.143 7.328 1.00 61.11 H new ATOM 0 HB3 ARG A 18 3.014 -13.895 8.890 1.00 61.11 H new ATOM 0 HG2 ARG A 18 1.071 -12.666 9.814 1.00 12.50 H new ATOM 0 HG3 ARG A 18 0.827 -11.871 8.271 1.00 12.50 H new ATOM 0 HD2 ARG A 18 0.440 -14.062 7.181 1.00 23.10 H new ATOM 0 HD3 ARG A 18 0.737 -14.885 8.699 1.00 23.10 H new ATOM 0 HE ARG A 18 -1.293 -13.187 9.394 1.00 72.31 H new ATOM 0 HH11 ARG A 18 -0.910 -15.444 6.667 1.00 2.12 H new ATOM 0 HH12 ARG A 18 -2.647 -15.740 6.538 1.00 2.12 H new ATOM 0 HH21 ARG A 18 -3.503 -13.594 9.196 1.00 35.44 H new ATOM 0 HH22 ARG A 18 -4.100 -14.702 7.957 1.00 35.44 H new ATOM 328 N GLY A 19 3.276 -10.730 10.972 1.00 24.02 N ATOM 329 CA GLY A 19 3.394 -10.579 12.417 1.00 64.12 C ATOM 330 C GLY A 19 4.207 -9.361 12.830 1.00 64.12 C ATOM 331 O GLY A 19 3.976 -8.800 13.905 1.00 0.22 O ATOM 0 H GLY A 19 2.786 -9.967 10.505 1.00 24.02 H new ATOM 0 HA2 GLY A 19 2.397 -10.506 12.850 1.00 64.12 H new ATOM 0 HA3 GLY A 19 3.857 -11.474 12.832 1.00 64.12 H new ATOM 335 N GLN A 20 5.154 -8.955 11.977 1.00 1.30 N ATOM 336 CA GLN A 20 6.011 -7.797 12.254 1.00 31.02 C ATOM 337 C GLN A 20 5.506 -6.550 11.517 1.00 45.43 C ATOM 338 O GLN A 20 4.753 -6.659 10.545 1.00 32.11 O ATOM 339 CB GLN A 20 7.486 -8.098 11.898 1.00 72.14 C ATOM 340 CG GLN A 20 7.718 -8.663 10.494 1.00 0.44 C ATOM 341 CD GLN A 20 8.643 -7.794 9.668 1.00 23.22 C ATOM 342 OE1 GLN A 20 8.072 -6.817 8.977 1.00 53.30 O flip ATOM 343 NE2 GLN A 20 9.858 -7.995 9.656 1.00 33.54 N flip ATOM 0 H GLN A 20 5.347 -9.413 11.086 1.00 1.30 H new ATOM 0 HA GLN A 20 5.963 -7.594 13.324 1.00 31.02 H new ATOM 0 HB2 GLN A 20 8.062 -7.179 12.002 1.00 72.14 H new ATOM 0 HB3 GLN A 20 7.881 -8.806 12.627 1.00 72.14 H new ATOM 0 HG2 GLN A 20 8.140 -9.665 10.574 1.00 0.44 H new ATOM 0 HG3 GLN A 20 6.761 -8.760 9.981 1.00 0.44 H new ATOM 0 HE21 GLN A 20 10.254 -8.759 10.204 1.00 33.54 H new ATOM 0 HE22 GLN A 20 10.468 -7.397 9.099 1.00 33.54 H new ATOM 352 N THR A 21 5.933 -5.371 11.992 1.00 41.53 N ATOM 353 CA THR A 21 5.528 -4.089 11.401 1.00 5.30 C ATOM 354 C THR A 21 6.368 -3.749 10.167 1.00 73.13 C ATOM 355 O THR A 21 7.560 -4.065 10.110 1.00 42.40 O ATOM 356 CB THR A 21 5.634 -2.927 12.419 1.00 62.42 C ATOM 357 OG1 THR A 21 5.601 -3.430 13.762 1.00 0.54 O ATOM 358 CG2 THR A 21 4.494 -1.933 12.231 1.00 71.14 C ATOM 0 H THR A 21 6.563 -5.280 12.789 1.00 41.53 H new ATOM 0 HA THR A 21 4.486 -4.205 11.105 1.00 5.30 H new ATOM 0 HB THR A 21 6.583 -2.420 12.243 1.00 62.42 H new ATOM 0 HG1 THR A 21 5.671 -2.683 14.393 1.00 0.54 H new ATOM 0 HG21 THR A 21 4.591 -1.126 12.958 1.00 71.14 H new ATOM 0 HG22 THR A 21 4.534 -1.520 11.223 1.00 71.14 H new ATOM 0 HG23 THR A 21 3.541 -2.441 12.378 1.00 71.14 H new ATOM 366 N CYS A 22 5.723 -3.105 9.190 1.00 42.51 N ATOM 367 CA CYS A 22 6.373 -2.711 7.946 1.00 32.11 C ATOM 368 C CYS A 22 6.313 -1.197 7.765 1.00 1.42 C ATOM 369 O CYS A 22 5.229 -0.612 7.663 1.00 21.41 O ATOM 370 CB CYS A 22 5.713 -3.413 6.754 1.00 52.32 C ATOM 371 SG CYS A 22 6.574 -3.171 5.182 1.00 70.12 S ATOM 0 H CYS A 22 4.738 -2.845 9.243 1.00 42.51 H new ATOM 0 HA CYS A 22 7.419 -3.013 7.995 1.00 32.11 H new ATOM 0 HB2 CYS A 22 5.654 -4.481 6.963 1.00 52.32 H new ATOM 0 HB3 CYS A 22 4.690 -3.051 6.654 1.00 52.32 H new ATOM 0 HG CYS A 22 5.941 -3.804 4.239 1.00 70.12 H new ATOM 377 N VAL A 23 7.494 -0.576 7.741 1.00 22.12 N ATOM 378 CA VAL A 23 7.618 0.877 7.565 1.00 41.54 C ATOM 379 C VAL A 23 7.744 1.207 6.076 1.00 42.33 C ATOM 380 O VAL A 23 8.758 0.888 5.445 1.00 53.12 O ATOM 381 CB VAL A 23 8.843 1.460 8.336 1.00 23.33 C ATOM 382 CG1 VAL A 23 8.798 2.986 8.380 1.00 63.04 C ATOM 383 CG2 VAL A 23 8.944 0.875 9.742 1.00 4.23 C ATOM 0 H VAL A 23 8.386 -1.059 7.842 1.00 22.12 H new ATOM 0 HA VAL A 23 6.719 1.336 7.977 1.00 41.54 H new ATOM 0 HB VAL A 23 9.740 1.170 7.789 1.00 23.33 H new ATOM 0 HG11 VAL A 23 9.665 3.360 8.924 1.00 63.04 H new ATOM 0 HG12 VAL A 23 8.810 3.380 7.364 1.00 63.04 H new ATOM 0 HG13 VAL A 23 7.887 3.309 8.884 1.00 63.04 H new ATOM 0 HG21 VAL A 23 9.808 1.302 10.252 1.00 4.23 H new ATOM 0 HG22 VAL A 23 8.039 1.112 10.301 1.00 4.23 H new ATOM 0 HG23 VAL A 23 9.058 -0.207 9.678 1.00 4.23 H new ATOM 393 N VAL A 24 6.703 1.840 5.524 1.00 14.00 N ATOM 394 CA VAL A 24 6.680 2.206 4.103 1.00 22.54 C ATOM 395 C VAL A 24 5.902 3.502 3.871 1.00 24.45 C ATOM 396 O VAL A 24 4.986 3.834 4.629 1.00 4.04 O ATOM 397 CB VAL A 24 6.082 1.078 3.189 1.00 30.52 C ATOM 398 CG1 VAL A 24 6.970 -0.157 3.175 1.00 13.53 C ATOM 399 CG2 VAL A 24 4.670 0.676 3.604 1.00 42.42 C ATOM 0 H VAL A 24 5.865 2.110 6.040 1.00 14.00 H new ATOM 0 HA VAL A 24 7.724 2.350 3.823 1.00 22.54 H new ATOM 0 HB VAL A 24 6.036 1.502 2.186 1.00 30.52 H new ATOM 0 HG11 VAL A 24 6.526 -0.917 2.533 1.00 13.53 H new ATOM 0 HG12 VAL A 24 7.956 0.108 2.794 1.00 13.53 H new ATOM 0 HG13 VAL A 24 7.065 -0.548 4.188 1.00 13.53 H new ATOM 0 HG21 VAL A 24 4.304 -0.107 2.939 1.00 42.42 H new ATOM 0 HG22 VAL A 24 4.684 0.305 4.629 1.00 42.42 H new ATOM 0 HG23 VAL A 24 4.012 1.542 3.541 1.00 42.42 H new ATOM 409 N HIS A 25 6.286 4.215 2.814 1.00 54.10 N ATOM 410 CA HIS A 25 5.635 5.461 2.423 1.00 74.10 C ATOM 411 C HIS A 25 4.699 5.185 1.248 1.00 33.22 C ATOM 412 O HIS A 25 5.128 4.637 0.227 1.00 41.11 O ATOM 413 CB HIS A 25 6.697 6.493 2.040 1.00 2.24 C ATOM 414 CG HIS A 25 7.101 7.403 3.160 1.00 65.32 C ATOM 415 ND1 HIS A 25 6.260 8.322 3.743 1.00 75.02 N ATOM 416 CD2 HIS A 25 8.293 7.527 3.803 1.00 75.31 C ATOM 417 CE1 HIS A 25 6.951 8.961 4.697 1.00 31.32 C ATOM 418 NE2 HIS A 25 8.188 8.516 4.773 1.00 4.31 N ATOM 0 H HIS A 25 7.058 3.944 2.205 1.00 54.10 H new ATOM 0 HA HIS A 25 5.052 5.859 3.254 1.00 74.10 H new ATOM 0 HB2 HIS A 25 7.581 5.970 1.675 1.00 2.24 H new ATOM 0 HB3 HIS A 25 6.320 7.097 1.214 1.00 2.24 H new ATOM 0 HD2 HIS A 25 9.180 6.948 3.593 1.00 75.31 H new ATOM 0 HE1 HIS A 25 6.545 9.741 5.324 1.00 31.32 H new ATOM 0 HE2 HIS A 25 8.918 8.832 5.412 1.00 4.31 H new ATOM 426 N TYR A 26 3.424 5.560 1.396 1.00 62.35 N ATOM 427 CA TYR A 26 2.429 5.315 0.350 1.00 21.44 C ATOM 428 C TYR A 26 1.863 6.607 -0.248 1.00 74.34 C ATOM 429 O TYR A 26 2.052 7.699 0.296 1.00 64.11 O ATOM 430 CB TYR A 26 1.298 4.418 0.896 1.00 4.12 C ATOM 431 CG TYR A 26 0.384 5.069 1.916 1.00 41.22 C ATOM 432 CD1 TYR A 26 -0.746 5.761 1.506 1.00 24.15 C ATOM 433 CD2 TYR A 26 0.646 4.984 3.275 1.00 5.22 C ATOM 434 CE1 TYR A 26 -1.590 6.354 2.417 1.00 73.10 C ATOM 435 CE2 TYR A 26 -0.198 5.576 4.198 1.00 12.01 C ATOM 436 CZ TYR A 26 -1.314 6.260 3.764 1.00 12.10 C ATOM 437 OH TYR A 26 -2.155 6.851 4.678 1.00 1.22 O ATOM 0 H TYR A 26 3.060 6.031 2.224 1.00 62.35 H new ATOM 0 HA TYR A 26 2.937 4.799 -0.465 1.00 21.44 H new ATOM 0 HB2 TYR A 26 0.692 4.076 0.057 1.00 4.12 H new ATOM 0 HB3 TYR A 26 1.746 3.533 1.348 1.00 4.12 H new ATOM 0 HD1 TYR A 26 -0.968 5.836 0.452 1.00 24.15 H new ATOM 0 HD2 TYR A 26 1.520 4.449 3.617 1.00 5.22 H new ATOM 0 HE1 TYR A 26 -2.464 6.890 2.078 1.00 73.10 H new ATOM 0 HE2 TYR A 26 0.016 5.503 5.254 1.00 12.01 H new ATOM 0 HH TYR A 26 -1.818 6.690 5.584 1.00 1.22 H new ATOM 447 N THR A 27 1.166 6.445 -1.382 1.00 54.44 N ATOM 448 CA THR A 27 0.530 7.548 -2.095 1.00 13.54 C ATOM 449 C THR A 27 -0.733 7.040 -2.801 1.00 42.43 C ATOM 450 O THR A 27 -0.649 6.231 -3.731 1.00 34.01 O ATOM 451 CB THR A 27 1.492 8.190 -3.134 1.00 41.24 C ATOM 452 OG1 THR A 27 2.824 8.249 -2.607 1.00 5.33 O ATOM 453 CG2 THR A 27 1.045 9.596 -3.511 1.00 10.41 C ATOM 0 H THR A 27 1.030 5.538 -1.828 1.00 54.44 H new ATOM 0 HA THR A 27 0.267 8.315 -1.367 1.00 13.54 H new ATOM 0 HB THR A 27 1.473 7.565 -4.027 1.00 41.24 H new ATOM 0 HG1 THR A 27 3.421 8.654 -3.271 1.00 5.33 H new ATOM 0 HG21 THR A 27 1.739 10.016 -4.239 1.00 10.41 H new ATOM 0 HG22 THR A 27 0.046 9.556 -3.944 1.00 10.41 H new ATOM 0 HG23 THR A 27 1.030 10.224 -2.620 1.00 10.41 H new ATOM 461 N GLY A 28 -1.895 7.518 -2.342 1.00 62.24 N ATOM 462 CA GLY A 28 -3.166 7.101 -2.927 1.00 22.33 C ATOM 463 C GLY A 28 -3.699 8.088 -3.951 1.00 23.41 C ATOM 464 O GLY A 28 -3.961 9.249 -3.626 1.00 74.50 O ATOM 0 H GLY A 28 -1.978 8.186 -1.576 1.00 62.24 H new ATOM 0 HA2 GLY A 28 -3.040 6.127 -3.400 1.00 22.33 H new ATOM 0 HA3 GLY A 28 -3.902 6.977 -2.133 1.00 22.33 H new ATOM 468 N MET A 29 -3.865 7.607 -5.188 1.00 72.23 N ATOM 469 CA MET A 29 -4.359 8.422 -6.301 1.00 35.31 C ATOM 470 C MET A 29 -5.526 7.741 -7.000 1.00 35.15 C ATOM 471 O MET A 29 -5.455 6.554 -7.333 1.00 40.34 O ATOM 472 CB MET A 29 -3.231 8.672 -7.306 1.00 63.22 C ATOM 473 CG MET A 29 -2.198 9.688 -6.846 1.00 23.45 C ATOM 474 SD MET A 29 -0.662 9.609 -7.797 1.00 60.11 S ATOM 475 CE MET A 29 0.108 8.129 -7.131 1.00 24.43 C ATOM 0 H MET A 29 -3.660 6.641 -5.445 1.00 72.23 H new ATOM 0 HA MET A 29 -4.706 9.373 -5.898 1.00 35.31 H new ATOM 0 HB2 MET A 29 -2.728 7.727 -7.512 1.00 63.22 H new ATOM 0 HB3 MET A 29 -3.666 9.013 -8.245 1.00 63.22 H new ATOM 0 HG2 MET A 29 -2.619 10.690 -6.928 1.00 23.45 H new ATOM 0 HG3 MET A 29 -1.976 9.521 -5.792 1.00 23.45 H new ATOM 0 HE1 MET A 29 1.139 8.067 -7.480 1.00 24.43 H new ATOM 0 HE2 MET A 29 0.095 8.171 -6.042 1.00 24.43 H new ATOM 0 HE3 MET A 29 -0.442 7.250 -7.467 1.00 24.43 H new ATOM 485 N LEU A 30 -6.605 8.510 -7.216 1.00 40.05 N ATOM 486 CA LEU A 30 -7.814 8.020 -7.898 1.00 32.04 C ATOM 487 C LEU A 30 -7.513 7.507 -9.313 1.00 0.41 C ATOM 488 O LEU A 30 -6.400 7.681 -9.821 1.00 4.33 O ATOM 489 CB LEU A 30 -8.862 9.147 -7.981 1.00 20.24 C ATOM 490 CG LEU A 30 -9.816 9.265 -6.788 1.00 42.34 C ATOM 491 CD1 LEU A 30 -10.531 10.606 -6.806 1.00 34.14 C ATOM 492 CD2 LEU A 30 -10.837 8.131 -6.786 1.00 0.13 C ATOM 0 H LEU A 30 -6.664 9.486 -6.924 1.00 40.05 H new ATOM 0 HA LEU A 30 -8.200 7.186 -7.312 1.00 32.04 H new ATOM 0 HB2 LEU A 30 -8.338 10.096 -8.097 1.00 20.24 H new ATOM 0 HB3 LEU A 30 -9.456 8.998 -8.883 1.00 20.24 H new ATOM 0 HG LEU A 30 -9.220 9.193 -5.878 1.00 42.34 H new ATOM 0 HD11 LEU A 30 -11.204 10.671 -5.951 1.00 34.14 H new ATOM 0 HD12 LEU A 30 -9.797 11.410 -6.752 1.00 34.14 H new ATOM 0 HD13 LEU A 30 -11.105 10.700 -7.728 1.00 34.14 H new ATOM 0 HD21 LEU A 30 -11.501 8.240 -5.928 1.00 0.13 H new ATOM 0 HD22 LEU A 30 -11.422 8.167 -7.705 1.00 0.13 H new ATOM 0 HD23 LEU A 30 -10.318 7.174 -6.724 1.00 0.13 H new ATOM 504 N GLU A 31 -8.522 6.876 -9.944 1.00 10.33 N ATOM 505 CA GLU A 31 -8.406 6.344 -11.307 1.00 40.43 C ATOM 506 C GLU A 31 -8.018 7.437 -12.314 1.00 13.34 C ATOM 507 O GLU A 31 -7.439 7.147 -13.365 1.00 3.22 O ATOM 508 CB GLU A 31 -9.731 5.707 -11.718 1.00 23.24 C ATOM 509 CG GLU A 31 -9.558 4.459 -12.554 1.00 62.31 C ATOM 510 CD GLU A 31 -10.879 3.830 -12.954 1.00 4.43 C ATOM 511 OE1 GLU A 31 -11.380 2.973 -12.197 1.00 71.15 O ATOM 512 OE2 GLU A 31 -11.411 4.196 -14.023 1.00 72.00 O ATOM 0 H GLU A 31 -9.437 6.723 -9.520 1.00 10.33 H new ATOM 0 HA GLU A 31 -7.614 5.595 -11.311 1.00 40.43 H new ATOM 0 HB2 GLU A 31 -10.301 5.460 -10.822 1.00 23.24 H new ATOM 0 HB3 GLU A 31 -10.318 6.434 -12.279 1.00 23.24 H new ATOM 0 HG2 GLU A 31 -8.991 4.705 -13.452 1.00 62.31 H new ATOM 0 HG3 GLU A 31 -8.969 3.732 -11.995 1.00 62.31 H new ATOM 519 N ASP A 32 -8.348 8.689 -11.970 1.00 34.23 N ATOM 520 CA ASP A 32 -8.032 9.844 -12.809 1.00 2.24 C ATOM 521 C ASP A 32 -6.637 10.405 -12.484 1.00 23.33 C ATOM 522 O ASP A 32 -6.072 11.150 -13.291 1.00 53.30 O ATOM 523 CB ASP A 32 -9.095 10.933 -12.623 1.00 52.51 C ATOM 524 CG ASP A 32 -9.230 11.838 -13.836 1.00 32.21 C ATOM 525 OD1 ASP A 32 -8.521 12.865 -13.892 1.00 41.21 O ATOM 526 OD2 ASP A 32 -10.044 11.519 -14.728 1.00 44.13 O ATOM 0 H ASP A 32 -8.838 8.925 -11.107 1.00 34.23 H new ATOM 0 HA ASP A 32 -8.029 9.517 -13.849 1.00 2.24 H new ATOM 0 HB2 ASP A 32 -10.057 10.464 -12.417 1.00 52.51 H new ATOM 0 HB3 ASP A 32 -8.841 11.537 -11.752 1.00 52.51 H new ATOM 531 N GLY A 33 -6.089 10.046 -11.306 1.00 51.42 N ATOM 532 CA GLY A 33 -4.758 10.507 -10.936 1.00 4.22 C ATOM 533 C GLY A 33 -4.763 11.619 -9.906 1.00 24.43 C ATOM 534 O GLY A 33 -3.733 12.270 -9.702 1.00 35.01 O ATOM 0 H GLY A 33 -6.545 9.450 -10.615 1.00 51.42 H new ATOM 0 HA2 GLY A 33 -4.187 9.665 -10.546 1.00 4.22 H new ATOM 0 HA3 GLY A 33 -4.242 10.855 -11.831 1.00 4.22 H new HETATM 538 N MLY A 34 -5.913 11.843 -9.254 1.00 33.34 N HETATM 539 CA MLY A 34 -6.022 12.882 -8.240 1.00 10.41 C HETATM 540 CB MLY A 34 -7.358 13.655 -8.400 1.00 31.10 C HETATM 541 CG MLY A 34 -8.344 13.539 -7.247 1.00 32.53 C HETATM 542 CD MLY A 34 -9.272 14.742 -7.177 1.00 45.44 C HETATM 543 CE MLY A 34 -10.563 14.409 -6.444 1.00 24.42 C HETATM 544 NZ MLY A 34 -11.464 15.575 -6.461 1.00 25.53 N HETATM 545 CH1 MLY A 34 -11.759 15.992 -5.081 1.00 63.25 C HETATM 546 CH2 MLY A 34 -12.719 15.219 -7.142 1.00 35.50 C HETATM 547 C MLY A 34 -5.831 12.246 -6.860 1.00 13.44 C HETATM 548 O MLY A 34 -6.533 11.294 -6.504 1.00 42.22 O HETATM 0 HH23 MLY A 34 -12.503 14.913 -8.166 1.00 35.50 H new HETATM 0 HH22 MLY A 34 -13.200 14.397 -6.612 1.00 35.50 H new HETATM 0 HH21 MLY A 34 -13.384 16.082 -7.154 1.00 35.50 H new HETATM 0 HH13 MLY A 34 -12.239 15.172 -4.548 1.00 63.25 H new HETATM 0 HH12 MLY A 34 -10.831 16.259 -4.575 1.00 63.25 H new HETATM 0 HH11 MLY A 34 -12.425 16.854 -5.096 1.00 63.25 H new HETATM 0 HG3 MLY A 34 -8.935 12.630 -7.363 1.00 32.53 H new HETATM 0 HG2 MLY A 34 -7.797 13.446 -6.309 1.00 32.53 H new HETATM 0 HE3 MLY A 34 -11.050 13.555 -6.916 1.00 24.42 H new HETATM 0 HE2 MLY A 34 -10.344 14.123 -5.415 1.00 24.42 H new HETATM 0 HD3 MLY A 34 -8.766 15.564 -6.670 1.00 45.44 H new HETATM 0 HD2 MLY A 34 -9.503 15.084 -8.186 1.00 45.44 H new HETATM 0 HB3 MLY A 34 -7.128 14.710 -8.549 1.00 31.10 H new HETATM 0 HB2 MLY A 34 -7.850 13.305 -9.308 1.00 31.10 H new HETATM 0 HA MLY A 34 -5.238 13.630 -8.360 1.00 10.41 H new HETATM 0 H MLY A 34 -6.662 11.714 -9.935 1.00 33.34 H new HETATM 565 N MLY A 35 -4.858 12.767 -6.101 1.00 11.11 N HETATM 566 CA MLY A 35 -4.539 12.241 -4.776 1.00 61.33 C HETATM 567 CB MLY A 35 -3.258 12.851 -4.235 1.00 75.25 C HETATM 568 CG MLY A 35 -2.309 11.802 -3.698 1.00 53.41 C HETATM 569 CD MLY A 35 -1.259 12.401 -2.779 1.00 45.12 C HETATM 570 CE MLY A 35 -0.041 12.838 -3.566 1.00 62.43 C HETATM 571 NZ MLY A 35 0.944 13.498 -2.687 1.00 22.02 N HETATM 572 CH1 MLY A 35 1.055 14.921 -3.050 1.00 0.41 C HETATM 573 CH2 MLY A 35 2.260 12.858 -2.844 1.00 55.25 C HETATM 574 C MLY A 35 -5.645 12.448 -3.762 1.00 41.14 C HETATM 575 O MLY A 35 -6.394 13.428 -3.816 1.00 10.14 O HETATM 0 HH23 MLY A 35 2.187 11.804 -2.575 1.00 55.25 H new HETATM 0 HH22 MLY A 35 2.586 12.946 -3.880 1.00 55.25 H new HETATM 0 HH21 MLY A 35 2.983 13.349 -2.193 1.00 55.25 H new HETATM 0 HH13 MLY A 35 1.380 15.008 -4.087 1.00 0.41 H new HETATM 0 HH12 MLY A 35 0.085 15.403 -2.932 1.00 0.41 H new HETATM 0 HH11 MLY A 35 1.783 15.407 -2.400 1.00 0.41 H new HETATM 0 HG3 MLY A 35 -2.875 11.044 -3.156 1.00 53.41 H new HETATM 0 HG2 MLY A 35 -1.817 11.298 -4.530 1.00 53.41 H new HETATM 0 HE3 MLY A 35 0.416 11.973 -4.046 1.00 62.43 H new HETATM 0 HE2 MLY A 35 -0.342 13.522 -4.360 1.00 62.43 H new HETATM 0 HD3 MLY A 35 -1.679 13.255 -2.247 1.00 45.12 H new HETATM 0 HD2 MLY A 35 -0.968 11.668 -2.026 1.00 45.12 H new HETATM 0 HB3 MLY A 35 -2.764 13.415 -5.026 1.00 75.25 H new HETATM 0 HB2 MLY A 35 -3.501 13.559 -3.443 1.00 75.25 H new HETATM 0 HA MLY A 35 -4.414 11.168 -4.918 1.00 61.33 H new HETATM 0 H MLY A 35 -4.245 13.455 -6.538 1.00 11.11 H new ATOM 592 N PHE A 36 -5.719 11.494 -2.840 1.00 13.53 N ATOM 593 CA PHE A 36 -6.697 11.515 -1.771 1.00 33.32 C ATOM 594 C PHE A 36 -6.043 11.225 -0.417 1.00 4.15 C ATOM 595 O PHE A 36 -6.647 11.498 0.624 1.00 61.44 O ATOM 596 CB PHE A 36 -7.842 10.518 -2.057 1.00 44.41 C ATOM 597 CG PHE A 36 -7.428 9.079 -2.284 1.00 74.11 C ATOM 598 CD1 PHE A 36 -7.161 8.238 -1.212 1.00 13.01 C ATOM 599 CD2 PHE A 36 -7.339 8.567 -3.568 1.00 2.42 C ATOM 600 CE1 PHE A 36 -6.814 6.915 -1.420 1.00 1.12 C ATOM 601 CE2 PHE A 36 -6.987 7.247 -3.781 1.00 50.31 C ATOM 602 CZ PHE A 36 -6.728 6.419 -2.706 1.00 32.03 C ATOM 0 H PHE A 36 -5.099 10.685 -2.818 1.00 13.53 H new ATOM 0 HA PHE A 36 -7.123 12.517 -1.725 1.00 33.32 H new ATOM 0 HB2 PHE A 36 -8.540 10.547 -1.220 1.00 44.41 H new ATOM 0 HB3 PHE A 36 -8.385 10.862 -2.937 1.00 44.41 H new ATOM 0 HD1 PHE A 36 -7.225 8.621 -0.204 1.00 13.01 H new ATOM 0 HD2 PHE A 36 -7.547 9.207 -4.413 1.00 2.42 H new ATOM 0 HE1 PHE A 36 -6.611 6.271 -0.577 1.00 1.12 H new ATOM 0 HE2 PHE A 36 -6.915 6.863 -4.788 1.00 50.31 H new ATOM 0 HZ PHE A 36 -6.459 5.386 -2.871 1.00 32.03 H new ATOM 612 N ASP A 37 -4.796 10.690 -0.432 1.00 71.54 N ATOM 613 CA ASP A 37 -4.085 10.339 0.810 1.00 12.22 C ATOM 614 C ASP A 37 -2.579 10.204 0.585 1.00 5.44 C ATOM 615 O ASP A 37 -2.120 9.306 -0.132 1.00 15.20 O ATOM 616 CB ASP A 37 -4.623 9.025 1.415 1.00 35.30 C ATOM 617 CG ASP A 37 -5.883 9.222 2.236 1.00 41.23 C ATOM 618 OD1 ASP A 37 -5.764 9.514 3.445 1.00 70.34 O ATOM 619 OD2 ASP A 37 -6.988 9.083 1.671 1.00 70.24 O ATOM 0 H ASP A 37 -4.272 10.496 -1.285 1.00 71.54 H new ATOM 0 HA ASP A 37 -4.265 11.157 1.508 1.00 12.22 H new ATOM 0 HB2 ASP A 37 -4.827 8.318 0.611 1.00 35.30 H new ATOM 0 HB3 ASP A 37 -3.852 8.579 2.044 1.00 35.30 H new ATOM 624 N SER A 38 -1.826 11.120 1.192 1.00 35.14 N ATOM 625 CA SER A 38 -0.362 11.116 1.112 1.00 72.05 C ATOM 626 C SER A 38 0.266 10.939 2.495 1.00 61.33 C ATOM 627 O SER A 38 0.050 11.759 3.394 1.00 53.42 O ATOM 628 CB SER A 38 0.149 12.411 0.481 1.00 1.53 C ATOM 629 OG SER A 38 -0.541 13.542 0.989 1.00 1.21 O ATOM 0 H SER A 38 -2.209 11.883 1.751 1.00 35.14 H new ATOM 0 HA SER A 38 -0.071 10.273 0.485 1.00 72.05 H new ATOM 0 HB2 SER A 38 1.216 12.516 0.676 1.00 1.53 H new ATOM 0 HB3 SER A 38 0.026 12.364 -0.601 1.00 1.53 H new ATOM 0 HG SER A 38 -0.573 14.241 0.303 1.00 1.21 H new ATOM 635 N SER A 39 1.036 9.852 2.658 1.00 34.10 N ATOM 636 CA SER A 39 1.717 9.552 3.928 1.00 3.40 C ATOM 637 C SER A 39 2.995 10.387 4.115 1.00 71.04 C ATOM 638 O SER A 39 3.307 10.811 5.231 1.00 14.42 O ATOM 639 CB SER A 39 2.055 8.060 4.003 1.00 71.12 C ATOM 640 OG SER A 39 2.532 7.701 5.290 1.00 65.25 O ATOM 0 H SER A 39 1.203 9.164 1.924 1.00 34.10 H new ATOM 0 HA SER A 39 1.032 9.817 4.733 1.00 3.40 H new ATOM 0 HB2 SER A 39 1.168 7.472 3.765 1.00 71.12 H new ATOM 0 HB3 SER A 39 2.809 7.818 3.254 1.00 71.12 H new ATOM 0 HG SER A 39 3.272 8.292 5.541 1.00 65.25 H new ATOM 646 N ARG A 40 3.718 10.619 3.009 1.00 52.53 N ATOM 647 CA ARG A 40 4.982 11.382 3.020 1.00 1.22 C ATOM 648 C ARG A 40 4.770 12.904 3.103 1.00 23.13 C ATOM 649 O ARG A 40 5.670 13.627 3.541 1.00 22.12 O ATOM 650 CB ARG A 40 5.835 11.030 1.787 1.00 50.10 C ATOM 651 CG ARG A 40 5.068 11.077 0.470 1.00 40.44 C ATOM 652 CD ARG A 40 5.486 12.261 -0.392 1.00 34.30 C ATOM 653 NE ARG A 40 6.805 12.062 -1.007 1.00 13.41 N ATOM 654 CZ ARG A 40 7.342 12.863 -1.940 1.00 54.32 C ATOM 655 NH1 ARG A 40 6.689 13.934 -2.387 1.00 24.54 N ATOM 656 NH2 ARG A 40 8.544 12.586 -2.427 1.00 51.01 N ATOM 0 H ARG A 40 3.447 10.286 2.084 1.00 52.53 H new ATOM 0 HA ARG A 40 5.511 11.089 3.927 1.00 1.22 H new ATOM 0 HB2 ARG A 40 6.676 11.721 1.731 1.00 50.10 H new ATOM 0 HB3 ARG A 40 6.251 10.031 1.918 1.00 50.10 H new ATOM 0 HG2 ARG A 40 5.235 10.151 -0.080 1.00 40.44 H new ATOM 0 HG3 ARG A 40 3.999 11.137 0.675 1.00 40.44 H new ATOM 0 HD2 ARG A 40 4.743 12.419 -1.174 1.00 34.30 H new ATOM 0 HD3 ARG A 40 5.504 13.164 0.218 1.00 34.30 H new ATOM 0 HE ARG A 40 7.352 11.257 -0.703 1.00 13.41 H new ATOM 0 HH11 ARG A 40 5.764 14.157 -2.020 1.00 24.54 H new ATOM 0 HH12 ARG A 40 7.114 14.531 -3.097 1.00 24.54 H new ATOM 0 HH21 ARG A 40 9.054 11.769 -2.092 1.00 51.01 H new ATOM 0 HH22 ARG A 40 8.959 13.190 -3.136 1.00 51.01 H new ATOM 670 N ASP A 41 3.584 13.384 2.683 1.00 23.13 N ATOM 671 CA ASP A 41 3.260 14.824 2.724 1.00 52.45 C ATOM 672 C ASP A 41 3.229 15.344 4.164 1.00 31.20 C ATOM 673 O ASP A 41 3.410 16.541 4.408 1.00 42.45 O ATOM 674 CB ASP A 41 1.921 15.095 2.038 1.00 64.34 C ATOM 675 CG ASP A 41 2.063 15.254 0.536 1.00 34.14 C ATOM 676 OD1 ASP A 41 2.470 14.279 -0.130 1.00 51.32 O ATOM 677 OD2 ASP A 41 1.766 16.354 0.025 1.00 2.32 O ATOM 0 H ASP A 41 2.836 12.798 2.312 1.00 23.13 H new ATOM 0 HA ASP A 41 4.045 15.356 2.186 1.00 52.45 H new ATOM 0 HB2 ASP A 41 1.234 14.276 2.251 1.00 64.34 H new ATOM 0 HB3 ASP A 41 1.478 15.999 2.456 1.00 64.34 H new ATOM 682 N ARG A 42 2.996 14.421 5.104 1.00 55.15 N ATOM 683 CA ARG A 42 2.971 14.733 6.533 1.00 51.54 C ATOM 684 C ARG A 42 4.354 14.473 7.145 1.00 4.45 C ATOM 685 O ARG A 42 4.559 14.641 8.352 1.00 25.12 O ATOM 686 CB ARG A 42 1.907 13.888 7.253 1.00 71.30 C ATOM 687 CG ARG A 42 0.484 14.127 6.760 1.00 51.14 C ATOM 688 CD ARG A 42 -0.553 13.578 7.731 1.00 2.40 C ATOM 689 NE ARG A 42 -0.680 14.405 8.938 1.00 12.24 N ATOM 690 CZ ARG A 42 -1.544 14.171 9.937 1.00 53.41 C ATOM 691 NH1 ARG A 42 -2.376 13.132 9.899 1.00 24.54 N ATOM 692 NH2 ARG A 42 -1.572 14.986 10.982 1.00 13.42 N ATOM 0 H ARG A 42 2.820 13.439 4.893 1.00 55.15 H new ATOM 0 HA ARG A 42 2.715 15.785 6.657 1.00 51.54 H new ATOM 0 HB2 ARG A 42 2.151 12.833 7.128 1.00 71.30 H new ATOM 0 HB3 ARG A 42 1.951 14.101 8.321 1.00 71.30 H new ATOM 0 HG2 ARG A 42 0.322 15.196 6.622 1.00 51.14 H new ATOM 0 HG3 ARG A 42 0.354 13.657 5.785 1.00 51.14 H new ATOM 0 HD2 ARG A 42 -1.520 13.518 7.231 1.00 2.40 H new ATOM 0 HD3 ARG A 42 -0.278 12.563 8.016 1.00 2.40 H new ATOM 0 HE ARG A 42 -0.067 15.216 9.023 1.00 12.24 H new ATOM 0 HH11 ARG A 42 -2.363 12.497 9.100 1.00 24.54 H new ATOM 0 HH12 ARG A 42 -3.026 12.971 10.668 1.00 24.54 H new ATOM 0 HH21 ARG A 42 -0.939 15.785 11.023 1.00 13.42 H new ATOM 0 HH22 ARG A 42 -2.226 14.814 11.745 1.00 13.42 H new ATOM 706 N ASN A 43 5.310 14.067 6.274 1.00 54.33 N ATOM 707 CA ASN A 43 6.709 13.757 6.654 1.00 4.33 C ATOM 708 C ASN A 43 6.789 12.557 7.611 1.00 11.11 C ATOM 709 O ASN A 43 7.680 12.491 8.470 1.00 34.31 O ATOM 710 CB ASN A 43 7.407 14.986 7.275 1.00 24.02 C ATOM 711 CG ASN A 43 7.643 16.096 6.268 1.00 72.44 C ATOM 712 OD1 ASN A 43 6.800 16.974 6.085 1.00 40.11 O ATOM 713 ND2 ASN A 43 8.795 16.061 5.608 1.00 53.22 N ATOM 0 H ASN A 43 5.129 13.945 5.278 1.00 54.33 H new ATOM 0 HA ASN A 43 7.234 13.489 5.737 1.00 4.33 H new ATOM 0 HB2 ASN A 43 6.799 15.368 8.095 1.00 24.02 H new ATOM 0 HB3 ASN A 43 8.362 14.679 7.702 1.00 24.02 H new ATOM 0 HD21 ASN A 43 9.009 16.781 4.918 1.00 53.22 H new ATOM 0 HD22 ASN A 43 9.465 15.314 5.791 1.00 53.22 H new HETATM 720 N MLY A 44 5.870 11.589 7.443 1.00 34.54 N HETATM 721 CA MLY A 44 5.842 10.413 8.309 1.00 24.12 C HETATM 722 CB MLY A 44 4.920 10.649 9.502 1.00 25.45 C HETATM 723 CG MLY A 44 5.636 11.361 10.638 1.00 5.24 C HETATM 724 CD MLY A 44 6.246 10.382 11.627 1.00 1.13 C HETATM 725 CE MLY A 44 5.418 10.262 12.903 1.00 34.53 C HETATM 726 NZ MLY A 44 5.775 11.343 13.837 1.00 51.05 N HETATM 727 CH1 MLY A 44 6.336 10.767 15.070 1.00 12.22 C HETATM 728 CH2 MLY A 44 4.574 12.125 14.168 1.00 50.43 C HETATM 729 C MLY A 44 5.436 9.140 7.572 1.00 2.04 C HETATM 730 O MLY A 44 4.399 9.107 6.903 1.00 74.11 O HETATM 0 HH23 MLY A 44 4.158 12.556 13.257 1.00 50.43 H new HETATM 0 HH22 MLY A 44 3.833 11.475 14.633 1.00 50.43 H new HETATM 0 HH21 MLY A 44 4.840 12.925 14.859 1.00 50.43 H new HETATM 0 HH13 MLY A 44 5.597 10.116 15.536 1.00 12.22 H new HETATM 0 HH12 MLY A 44 7.228 10.189 14.828 1.00 12.22 H new HETATM 0 HH11 MLY A 44 6.599 11.569 15.759 1.00 12.22 H new HETATM 0 HG3 MLY A 44 6.419 11.999 10.229 1.00 5.24 H new HETATM 0 HG2 MLY A 44 4.933 12.012 11.158 1.00 5.24 H new HETATM 0 HE3 MLY A 44 4.356 10.313 12.664 1.00 34.53 H new HETATM 0 HE2 MLY A 44 5.593 9.293 13.371 1.00 34.53 H new HETATM 0 HD3 MLY A 44 6.333 9.402 11.159 1.00 1.13 H new HETATM 0 HD2 MLY A 44 7.256 10.705 11.880 1.00 1.13 H new HETATM 0 HB3 MLY A 44 4.061 11.241 9.186 1.00 25.45 H new HETATM 0 HB2 MLY A 44 4.534 9.694 9.858 1.00 25.45 H new HETATM 0 HA MLY A 44 6.862 10.263 8.662 1.00 24.12 H new ATOM 747 N PRO A 45 6.267 8.063 7.693 1.00 62.03 N ATOM 748 CA PRO A 45 6.001 6.767 7.049 1.00 10.31 C ATOM 749 C PRO A 45 4.902 5.970 7.759 1.00 72.54 C ATOM 750 O PRO A 45 4.628 6.197 8.941 1.00 63.34 O ATOM 751 CB PRO A 45 7.346 6.038 7.127 1.00 65.23 C ATOM 752 CG PRO A 45 8.089 6.660 8.267 1.00 52.33 C ATOM 753 CD PRO A 45 7.534 8.048 8.465 1.00 64.14 C ATOM 0 HA PRO A 45 5.635 6.891 6.030 1.00 10.31 H new ATOM 0 HB2 PRO A 45 7.202 4.970 7.292 1.00 65.23 H new ATOM 0 HB3 PRO A 45 7.902 6.144 6.195 1.00 65.23 H new ATOM 0 HG2 PRO A 45 7.969 6.066 9.173 1.00 52.33 H new ATOM 0 HG3 PRO A 45 9.157 6.701 8.052 1.00 52.33 H new ATOM 0 HD2 PRO A 45 7.357 8.256 9.520 1.00 64.14 H new ATOM 0 HD3 PRO A 45 8.227 8.807 8.102 1.00 64.14 H new ATOM 761 N PHE A 46 4.287 5.043 7.023 1.00 52.43 N ATOM 762 CA PHE A 46 3.203 4.222 7.557 1.00 12.42 C ATOM 763 C PHE A 46 3.684 2.827 7.963 1.00 54.51 C ATOM 764 O PHE A 46 4.166 2.051 7.131 1.00 73.33 O ATOM 765 CB PHE A 46 2.079 4.121 6.521 1.00 50.23 C ATOM 766 CG PHE A 46 0.735 3.772 7.107 1.00 55.12 C ATOM 767 CD1 PHE A 46 0.320 2.452 7.169 1.00 52.33 C ATOM 768 CD2 PHE A 46 -0.107 4.758 7.597 1.00 4.32 C ATOM 769 CE1 PHE A 46 -0.907 2.120 7.708 1.00 34.13 C ATOM 770 CE2 PHE A 46 -1.337 4.432 8.138 1.00 4.13 C ATOM 771 CZ PHE A 46 -1.737 3.111 8.193 1.00 10.44 C ATOM 0 H PHE A 46 4.524 4.843 6.051 1.00 52.43 H new ATOM 0 HA PHE A 46 2.828 4.705 8.459 1.00 12.42 H new ATOM 0 HB2 PHE A 46 1.998 5.072 5.994 1.00 50.23 H new ATOM 0 HB3 PHE A 46 2.348 3.368 5.781 1.00 50.23 H new ATOM 0 HD1 PHE A 46 0.965 1.672 6.791 1.00 52.33 H new ATOM 0 HD2 PHE A 46 0.201 5.792 7.556 1.00 4.32 H new ATOM 0 HE1 PHE A 46 -1.217 1.086 7.750 1.00 34.13 H new ATOM 0 HE2 PHE A 46 -1.984 5.209 8.517 1.00 4.13 H new ATOM 0 HZ PHE A 46 -2.697 2.854 8.615 1.00 10.44 H new HETATM 781 N MLY A 47 3.550 2.538 9.259 1.00 21.12 N HETATM 782 CA MLY A 47 3.929 1.242 9.828 1.00 63.34 C HETATM 783 CB MLY A 47 4.752 1.447 11.107 1.00 43.31 C HETATM 784 CG MLY A 47 5.708 2.625 11.014 1.00 32.35 C HETATM 785 CD MLY A 47 6.697 2.673 12.151 1.00 72.20 C HETATM 786 CE MLY A 47 7.888 3.518 11.749 1.00 42.23 C HETATM 787 NZ MLY A 47 8.795 3.708 12.893 1.00 35.31 N HETATM 788 CH1 MLY A 47 8.787 5.124 13.299 1.00 43.20 C HETATM 789 CH2 MLY A 47 10.158 3.320 12.507 1.00 74.45 C HETATM 790 C MLY A 47 2.679 0.425 10.135 1.00 63.22 C HETATM 791 O MLY A 47 1.729 0.942 10.731 1.00 51.34 O HETATM 0 HH23 MLY A 47 10.167 2.272 12.207 1.00 74.45 H new HETATM 0 HH22 MLY A 47 10.490 3.939 11.674 1.00 74.45 H new HETATM 0 HH21 MLY A 47 10.830 3.461 13.354 1.00 74.45 H new HETATM 0 HH13 MLY A 47 9.120 5.743 12.466 1.00 43.20 H new HETATM 0 HH12 MLY A 47 7.776 5.415 13.586 1.00 43.20 H new HETATM 0 HH11 MLY A 47 9.459 5.263 14.146 1.00 43.20 H new HETATM 0 HG3 MLY A 47 6.250 2.572 10.070 1.00 32.35 H new HETATM 0 HG2 MLY A 47 5.134 3.551 11.000 1.00 32.35 H new HETATM 0 HE3 MLY A 47 8.422 3.037 10.930 1.00 42.23 H new HETATM 0 HE2 MLY A 47 7.547 4.486 11.383 1.00 42.23 H new HETATM 0 HD3 MLY A 47 6.225 3.091 13.040 1.00 72.20 H new HETATM 0 HD2 MLY A 47 7.023 1.665 12.407 1.00 72.20 H new HETATM 0 HB3 MLY A 47 4.075 1.601 11.948 1.00 43.31 H new HETATM 0 HB2 MLY A 47 5.320 0.541 11.317 1.00 43.31 H new HETATM 0 HA MLY A 47 4.537 0.701 9.103 1.00 63.34 H new HETATM 0 H MLY A 47 3.839 3.401 9.719 1.00 21.12 H new ATOM 808 N PHE A 48 2.684 -0.852 9.725 1.00 63.04 N ATOM 809 CA PHE A 48 1.538 -1.748 9.944 1.00 23.12 C ATOM 810 C PHE A 48 1.988 -3.206 10.113 1.00 45.43 C ATOM 811 O PHE A 48 3.090 -3.573 9.700 1.00 53.22 O ATOM 812 CB PHE A 48 0.529 -1.626 8.776 1.00 60.34 C ATOM 813 CG PHE A 48 1.042 -2.118 7.442 1.00 23.12 C ATOM 814 CD1 PHE A 48 1.845 -1.316 6.645 1.00 65.44 C ATOM 815 CD2 PHE A 48 0.721 -3.389 6.997 1.00 64.54 C ATOM 816 CE1 PHE A 48 2.315 -1.776 5.429 1.00 53.32 C ATOM 817 CE2 PHE A 48 1.186 -3.852 5.784 1.00 73.33 C ATOM 818 CZ PHE A 48 1.984 -3.045 4.999 1.00 3.21 C ATOM 0 H PHE A 48 3.468 -1.288 9.240 1.00 63.04 H new ATOM 0 HA PHE A 48 1.048 -1.443 10.869 1.00 23.12 H new ATOM 0 HB2 PHE A 48 -0.371 -2.185 9.032 1.00 60.34 H new ATOM 0 HB3 PHE A 48 0.237 -0.581 8.674 1.00 60.34 H new ATOM 0 HD1 PHE A 48 2.106 -0.322 6.978 1.00 65.44 H new ATOM 0 HD2 PHE A 48 0.098 -4.026 7.608 1.00 64.54 H new ATOM 0 HE1 PHE A 48 2.940 -1.143 4.816 1.00 53.32 H new ATOM 0 HE2 PHE A 48 0.926 -4.845 5.449 1.00 73.33 H new ATOM 0 HZ PHE A 48 2.349 -3.406 4.049 1.00 3.21 H new ATOM 828 N MET A 49 1.117 -4.025 10.713 1.00 33.23 N ATOM 829 CA MET A 49 1.398 -5.442 10.928 1.00 71.14 C ATOM 830 C MET A 49 0.623 -6.300 9.935 1.00 22.43 C ATOM 831 O MET A 49 -0.581 -6.107 9.746 1.00 41.24 O ATOM 832 CB MET A 49 1.031 -5.847 12.354 1.00 22.35 C ATOM 833 CG MET A 49 2.229 -5.985 13.281 1.00 60.11 C ATOM 834 SD MET A 49 1.761 -6.142 15.018 1.00 51.55 S ATOM 835 CE MET A 49 1.444 -4.432 15.457 1.00 63.41 C ATOM 0 H MET A 49 0.206 -3.724 11.059 1.00 33.23 H new ATOM 0 HA MET A 49 2.465 -5.603 10.775 1.00 71.14 H new ATOM 0 HB2 MET A 49 0.347 -5.106 12.768 1.00 22.35 H new ATOM 0 HB3 MET A 49 0.494 -6.795 12.326 1.00 22.35 H new ATOM 0 HG2 MET A 49 2.811 -6.858 12.987 1.00 60.11 H new ATOM 0 HG3 MET A 49 2.876 -5.116 13.162 1.00 60.11 H new ATOM 0 HE1 MET A 49 1.145 -4.374 16.504 1.00 63.41 H new ATOM 0 HE2 MET A 49 2.349 -3.844 15.305 1.00 63.41 H new ATOM 0 HE3 MET A 49 0.645 -4.037 14.829 1.00 63.41 H new ATOM 845 N LEU A 50 1.329 -7.249 9.305 1.00 22.40 N ATOM 846 CA LEU A 50 0.728 -8.164 8.327 1.00 23.24 C ATOM 847 C LEU A 50 -0.068 -9.270 9.008 1.00 71.40 C ATOM 848 O LEU A 50 0.355 -9.809 10.035 1.00 63.44 O ATOM 849 CB LEU A 50 1.818 -8.801 7.446 1.00 74.22 C ATOM 850 CG LEU A 50 2.081 -8.176 6.060 1.00 62.03 C ATOM 851 CD1 LEU A 50 0.806 -8.022 5.248 1.00 23.44 C ATOM 852 CD2 LEU A 50 2.818 -6.848 6.184 1.00 72.11 C ATOM 0 H LEU A 50 2.326 -7.403 9.458 1.00 22.40 H new ATOM 0 HA LEU A 50 0.049 -7.575 7.710 1.00 23.24 H new ATOM 0 HB2 LEU A 50 2.754 -8.782 8.005 1.00 74.22 H new ATOM 0 HB3 LEU A 50 1.558 -9.849 7.297 1.00 74.22 H new ATOM 0 HG LEU A 50 2.723 -8.869 5.516 1.00 62.03 H new ATOM 0 HD11 LEU A 50 1.042 -7.578 4.281 1.00 23.44 H new ATOM 0 HD12 LEU A 50 0.351 -9.001 5.097 1.00 23.44 H new ATOM 0 HD13 LEU A 50 0.110 -7.377 5.783 1.00 23.44 H new ATOM 0 HD21 LEU A 50 2.989 -6.433 5.191 1.00 72.11 H new ATOM 0 HD22 LEU A 50 2.218 -6.152 6.770 1.00 72.11 H new ATOM 0 HD23 LEU A 50 3.775 -7.008 6.680 1.00 72.11 H new ATOM 864 N GLY A 51 -1.222 -9.595 8.417 1.00 35.24 N ATOM 865 CA GLY A 51 -2.089 -10.634 8.956 1.00 71.31 C ATOM 866 C GLY A 51 -2.984 -10.147 10.091 1.00 50.01 C ATOM 867 O GLY A 51 -3.899 -10.863 10.509 1.00 31.34 O ATOM 0 H GLY A 51 -1.572 -9.152 7.568 1.00 35.24 H new ATOM 0 HA2 GLY A 51 -2.713 -11.028 8.154 1.00 71.31 H new ATOM 0 HA3 GLY A 51 -1.474 -11.459 9.316 1.00 71.31 H new HETATM 871 N MLY A 52 -2.715 -8.926 10.586 1.00 22.42 N HETATM 872 CA MLY A 52 -3.503 -8.321 11.667 1.00 50.33 C HETATM 873 CB MLY A 52 -2.672 -7.287 12.448 1.00 33.52 C HETATM 874 CG MLY A 52 -1.618 -7.875 13.388 1.00 64.24 C HETATM 875 CD MLY A 52 -2.234 -8.731 14.493 1.00 72.22 C HETATM 876 CE MLY A 52 -1.341 -8.789 15.724 1.00 30.34 C HETATM 877 NZ MLY A 52 -2.016 -9.538 16.797 1.00 33.24 N HETATM 878 CH1 MLY A 52 -2.188 -8.669 17.973 1.00 11.24 C HETATM 879 CH2 MLY A 52 -1.204 -10.707 17.170 1.00 42.22 C HETATM 880 C MLY A 52 -4.756 -7.649 11.110 1.00 12.24 C HETATM 881 O MLY A 52 -5.687 -7.333 11.856 1.00 14.32 O HETATM 0 HH23 MLY A 52 -1.077 -11.354 16.302 1.00 42.22 H new HETATM 0 HH22 MLY A 52 -0.227 -10.374 17.520 1.00 42.22 H new HETATM 0 HH21 MLY A 52 -1.705 -11.260 17.964 1.00 42.22 H new HETATM 0 HH13 MLY A 52 -1.212 -8.334 18.324 1.00 11.24 H new HETATM 0 HH12 MLY A 52 -2.792 -7.803 17.701 1.00 11.24 H new HETATM 0 HH11 MLY A 52 -2.688 -9.225 18.766 1.00 11.24 H new HETATM 0 HG3 MLY A 52 -0.918 -8.480 12.811 1.00 64.24 H new HETATM 0 HG2 MLY A 52 -1.044 -7.065 13.838 1.00 64.24 H new HETATM 0 HE3 MLY A 52 -0.394 -9.267 15.475 1.00 30.34 H new HETATM 0 HE2 MLY A 52 -1.109 -7.780 16.064 1.00 30.34 H new HETATM 0 HD3 MLY A 52 -3.207 -8.325 14.768 1.00 72.22 H new HETATM 0 HD2 MLY A 52 -2.404 -9.741 14.119 1.00 72.22 H new HETATM 0 HB3 MLY A 52 -2.174 -6.631 11.734 1.00 33.52 H new HETATM 0 HB2 MLY A 52 -3.351 -6.666 13.032 1.00 33.52 H new HETATM 0 HA MLY A 52 -3.796 -9.122 12.346 1.00 50.33 H new HETATM 0 H MLY A 52 -1.747 -8.641 10.440 1.00 22.42 H new ATOM 898 N GLN A 53 -4.752 -7.430 9.779 1.00 64.22 N ATOM 899 CA GLN A 53 -5.875 -6.806 9.035 1.00 1.55 C ATOM 900 C GLN A 53 -6.032 -5.308 9.363 1.00 54.20 C ATOM 901 O GLN A 53 -7.125 -4.740 9.238 1.00 41.22 O ATOM 902 CB GLN A 53 -7.206 -7.562 9.264 1.00 51.25 C ATOM 903 CG GLN A 53 -7.187 -9.004 8.775 1.00 51.21 C ATOM 904 CD GLN A 53 -8.573 -9.611 8.694 1.00 32.32 C ATOM 905 OE1 GLN A 53 -9.241 -9.527 7.664 1.00 62.40 O ATOM 906 NE2 GLN A 53 -9.014 -10.228 9.785 1.00 1.32 N ATOM 0 H GLN A 53 -3.964 -7.682 9.182 1.00 64.22 H new ATOM 0 HA GLN A 53 -5.623 -6.883 7.977 1.00 1.55 H new ATOM 0 HB2 GLN A 53 -7.440 -7.552 10.329 1.00 51.25 H new ATOM 0 HB3 GLN A 53 -8.009 -7.027 8.757 1.00 51.25 H new ATOM 0 HG2 GLN A 53 -6.719 -9.044 7.791 1.00 51.21 H new ATOM 0 HG3 GLN A 53 -6.571 -9.603 9.446 1.00 51.21 H new ATOM 0 HE21 GLN A 53 -8.426 -10.274 10.618 1.00 1.32 H new ATOM 0 HE22 GLN A 53 -9.940 -10.656 9.790 1.00 1.32 H new ATOM 915 N GLU A 54 -4.918 -4.670 9.759 1.00 41.31 N ATOM 916 CA GLU A 54 -4.901 -3.231 10.085 1.00 72.24 C ATOM 917 C GLU A 54 -4.958 -2.385 8.811 1.00 75.25 C ATOM 918 O GLU A 54 -5.348 -1.214 8.845 1.00 34.30 O ATOM 919 CB GLU A 54 -3.637 -2.866 10.871 1.00 53.34 C ATOM 920 CG GLU A 54 -3.588 -3.450 12.272 1.00 11.31 C ATOM 921 CD GLU A 54 -2.363 -3.007 13.048 1.00 20.35 C ATOM 922 OE1 GLU A 54 -2.440 -1.966 13.734 1.00 44.02 O ATOM 923 OE2 GLU A 54 -1.328 -3.701 12.969 1.00 15.22 O ATOM 0 H GLU A 54 -4.013 -5.129 9.862 1.00 41.31 H new ATOM 0 HA GLU A 54 -5.779 -3.023 10.697 1.00 72.24 H new ATOM 0 HB2 GLU A 54 -2.765 -3.209 10.315 1.00 53.34 H new ATOM 0 HB3 GLU A 54 -3.565 -1.780 10.939 1.00 53.34 H new ATOM 0 HG2 GLU A 54 -4.485 -3.154 12.816 1.00 11.31 H new ATOM 0 HG3 GLU A 54 -3.599 -4.538 12.208 1.00 11.31 H new ATOM 930 N VAL A 55 -4.563 -3.006 7.698 1.00 22.22 N ATOM 931 CA VAL A 55 -4.546 -2.359 6.387 1.00 23.14 C ATOM 932 C VAL A 55 -5.506 -3.074 5.420 1.00 5.11 C ATOM 933 O VAL A 55 -6.224 -3.994 5.824 1.00 74.45 O ATOM 934 CB VAL A 55 -3.098 -2.295 5.801 1.00 71.05 C ATOM 935 CG1 VAL A 55 -2.236 -1.346 6.626 1.00 61.41 C ATOM 936 CG2 VAL A 55 -2.435 -3.674 5.725 1.00 43.13 C ATOM 0 H VAL A 55 -4.245 -3.975 7.682 1.00 22.22 H new ATOM 0 HA VAL A 55 -4.890 -1.333 6.513 1.00 23.14 H new ATOM 0 HB VAL A 55 -3.183 -1.920 4.781 1.00 71.05 H new ATOM 0 HG11 VAL A 55 -1.230 -1.311 6.207 1.00 61.41 H new ATOM 0 HG12 VAL A 55 -2.673 -0.347 6.606 1.00 61.41 H new ATOM 0 HG13 VAL A 55 -2.188 -1.700 7.656 1.00 61.41 H new ATOM 0 HG21 VAL A 55 -1.432 -3.573 5.311 1.00 43.13 H new ATOM 0 HG22 VAL A 55 -2.374 -4.104 6.725 1.00 43.13 H new ATOM 0 HG23 VAL A 55 -3.027 -4.328 5.085 1.00 43.13 H new ATOM 946 N ILE A 56 -5.512 -2.647 4.150 1.00 52.14 N ATOM 947 CA ILE A 56 -6.385 -3.243 3.129 1.00 1.25 C ATOM 948 C ILE A 56 -5.795 -4.539 2.558 1.00 22.44 C ATOM 949 O ILE A 56 -4.584 -4.765 2.638 1.00 40.42 O ATOM 950 CB ILE A 56 -6.716 -2.248 1.978 1.00 14.41 C ATOM 951 CG1 ILE A 56 -5.471 -1.466 1.500 1.00 4.24 C ATOM 952 CG2 ILE A 56 -7.808 -1.289 2.447 1.00 53.42 C ATOM 953 CD1 ILE A 56 -5.637 -0.793 0.146 1.00 34.03 C ATOM 0 H ILE A 56 -4.922 -1.890 3.805 1.00 52.14 H new ATOM 0 HA ILE A 56 -7.318 -3.486 3.637 1.00 1.25 H new ATOM 0 HB ILE A 56 -7.068 -2.823 1.121 1.00 14.41 H new ATOM 0 HG12 ILE A 56 -5.226 -0.707 2.243 1.00 4.24 H new ATOM 0 HG13 ILE A 56 -4.623 -2.150 1.452 1.00 4.24 H new ATOM 0 HG21 ILE A 56 -8.046 -0.589 1.646 1.00 53.42 H new ATOM 0 HG22 ILE A 56 -8.701 -1.856 2.711 1.00 53.42 H new ATOM 0 HG23 ILE A 56 -7.458 -0.737 3.319 1.00 53.42 H new ATOM 0 HD11 ILE A 56 -4.718 -0.267 -0.114 1.00 34.03 H new ATOM 0 HD12 ILE A 56 -5.850 -1.547 -0.612 1.00 34.03 H new ATOM 0 HD13 ILE A 56 -6.462 -0.082 0.192 1.00 34.03 H new ATOM 965 N ARG A 57 -6.671 -5.382 1.983 1.00 73.41 N ATOM 966 CA ARG A 57 -6.272 -6.676 1.400 1.00 3.13 C ATOM 967 C ARG A 57 -5.242 -6.504 0.278 1.00 73.31 C ATOM 968 O ARG A 57 -4.258 -7.247 0.213 1.00 3.15 O ATOM 969 CB ARG A 57 -7.507 -7.417 0.875 1.00 41.00 C ATOM 970 CG ARG A 57 -7.371 -8.931 0.910 1.00 54.31 C ATOM 971 CD ARG A 57 -8.687 -9.613 0.578 1.00 33.13 C ATOM 972 NE ARG A 57 -8.630 -11.061 0.803 1.00 45.05 N ATOM 973 CZ ARG A 57 -9.643 -11.910 0.576 1.00 12.11 C ATOM 974 NH1 ARG A 57 -10.814 -11.477 0.112 1.00 21.43 N ATOM 975 NH2 ARG A 57 -9.479 -13.204 0.816 1.00 4.55 N ATOM 0 H ARG A 57 -7.670 -5.188 1.909 1.00 73.41 H new ATOM 0 HA ARG A 57 -5.803 -7.264 2.189 1.00 3.13 H new ATOM 0 HB2 ARG A 57 -8.374 -7.125 1.467 1.00 41.00 H new ATOM 0 HB3 ARG A 57 -7.700 -7.102 -0.150 1.00 41.00 H new ATOM 0 HG2 ARG A 57 -6.607 -9.246 0.199 1.00 54.31 H new ATOM 0 HG3 ARG A 57 -7.036 -9.245 1.898 1.00 54.31 H new ATOM 0 HD2 ARG A 57 -9.482 -9.183 1.188 1.00 33.13 H new ATOM 0 HD3 ARG A 57 -8.943 -9.418 -0.463 1.00 33.13 H new ATOM 0 HE ARG A 57 -7.757 -11.451 1.158 1.00 45.05 H new ATOM 0 HH11 ARG A 57 -10.952 -10.484 -0.077 1.00 21.43 H new ATOM 0 HH12 ARG A 57 -11.573 -12.138 -0.054 1.00 21.43 H new ATOM 0 HH21 ARG A 57 -8.587 -13.548 1.171 1.00 4.55 H new ATOM 0 HH22 ARG A 57 -10.245 -13.855 0.646 1.00 4.55 H new ATOM 989 N GLY A 58 -5.485 -5.519 -0.600 1.00 75.12 N ATOM 990 CA GLY A 58 -4.572 -5.231 -1.706 1.00 3.21 C ATOM 991 C GLY A 58 -3.181 -4.791 -1.249 1.00 15.14 C ATOM 992 O GLY A 58 -2.220 -4.881 -2.018 1.00 21.04 O ATOM 0 H GLY A 58 -6.304 -4.913 -0.562 1.00 75.12 H new ATOM 0 HA2 GLY A 58 -4.477 -6.120 -2.329 1.00 3.21 H new ATOM 0 HA3 GLY A 58 -5.005 -4.449 -2.330 1.00 3.21 H new ATOM 996 N TRP A 59 -3.081 -4.314 0.007 1.00 34.52 N ATOM 997 CA TRP A 59 -1.801 -3.882 0.581 1.00 11.53 C ATOM 998 C TRP A 59 -1.025 -5.063 1.153 1.00 15.11 C ATOM 999 O TRP A 59 0.177 -5.176 0.931 1.00 30.32 O ATOM 1000 CB TRP A 59 -2.003 -2.829 1.681 1.00 30.13 C ATOM 1001 CG TRP A 59 -2.026 -1.396 1.195 1.00 24.41 C ATOM 1002 CD1 TRP A 59 -2.294 -0.945 -0.073 1.00 50.03 C ATOM 1003 CD2 TRP A 59 -1.764 -0.220 1.981 1.00 23.30 C ATOM 1004 NE1 TRP A 59 -2.221 0.424 -0.117 1.00 12.30 N ATOM 1005 CE2 TRP A 59 -1.898 0.893 1.128 1.00 64.24 C ATOM 1006 CE3 TRP A 59 -1.433 0.001 3.324 1.00 10.45 C ATOM 1007 CZ2 TRP A 59 -1.714 2.199 1.572 1.00 44.24 C ATOM 1008 CZ3 TRP A 59 -1.250 1.298 3.762 1.00 4.50 C ATOM 1009 CH2 TRP A 59 -1.392 2.382 2.888 1.00 20.34 C ATOM 0 H TRP A 59 -3.875 -4.220 0.640 1.00 34.52 H new ATOM 0 HA TRP A 59 -1.227 -3.437 -0.232 1.00 11.53 H new ATOM 0 HB2 TRP A 59 -2.941 -3.038 2.196 1.00 30.13 H new ATOM 0 HB3 TRP A 59 -1.205 -2.935 2.416 1.00 30.13 H new ATOM 0 HD1 TRP A 59 -2.529 -1.578 -0.916 1.00 50.03 H new ATOM 0 HE1 TRP A 59 -2.381 1.000 -0.944 1.00 12.30 H new ATOM 0 HE3 TRP A 59 -1.323 -0.829 4.006 1.00 10.45 H new ATOM 0 HZ2 TRP A 59 -1.822 3.038 0.901 1.00 44.24 H new ATOM 0 HZ3 TRP A 59 -0.993 1.479 4.795 1.00 4.50 H new ATOM 0 HH2 TRP A 59 -1.244 3.385 3.261 1.00 20.34 H new ATOM 1020 N GLU A 60 -1.729 -5.949 1.877 1.00 64.02 N ATOM 1021 CA GLU A 60 -1.106 -7.132 2.496 1.00 11.50 C ATOM 1022 C GLU A 60 -0.595 -8.118 1.439 1.00 31.21 C ATOM 1023 O GLU A 60 0.459 -8.736 1.616 1.00 2.33 O ATOM 1024 CB GLU A 60 -2.093 -7.849 3.435 1.00 15.25 C ATOM 1025 CG GLU A 60 -2.623 -6.977 4.562 1.00 64.33 C ATOM 1026 CD GLU A 60 -3.285 -7.783 5.662 1.00 71.32 C ATOM 1027 OE1 GLU A 60 -2.662 -7.953 6.730 1.00 12.21 O ATOM 1028 OE2 GLU A 60 -4.428 -8.243 5.456 1.00 23.02 O ATOM 0 H GLU A 60 -2.731 -5.869 2.048 1.00 64.02 H new ATOM 0 HA GLU A 60 -0.256 -6.776 3.077 1.00 11.50 H new ATOM 0 HB2 GLU A 60 -2.935 -8.216 2.848 1.00 15.25 H new ATOM 0 HB3 GLU A 60 -1.600 -8.721 3.866 1.00 15.25 H new ATOM 0 HG2 GLU A 60 -1.802 -6.398 4.985 1.00 64.33 H new ATOM 0 HG3 GLU A 60 -3.341 -6.264 4.157 1.00 64.33 H new ATOM 1035 N GLU A 61 -1.358 -8.253 0.347 1.00 13.22 N ATOM 1036 CA GLU A 61 -1.001 -9.149 -0.760 1.00 4.04 C ATOM 1037 C GLU A 61 -0.037 -8.478 -1.748 1.00 23.14 C ATOM 1038 O GLU A 61 0.729 -9.164 -2.428 1.00 64.00 O ATOM 1039 CB GLU A 61 -2.260 -9.610 -1.502 1.00 12.20 C ATOM 1040 CG GLU A 61 -3.101 -10.612 -0.724 1.00 33.24 C ATOM 1041 CD GLU A 61 -4.328 -11.064 -1.491 1.00 73.22 C ATOM 1042 OE1 GLU A 61 -5.401 -10.452 -1.309 1.00 24.44 O ATOM 1043 OE2 GLU A 61 -4.216 -12.030 -2.275 1.00 21.23 O ATOM 0 H GLU A 61 -2.233 -7.749 0.206 1.00 13.22 H new ATOM 0 HA GLU A 61 -0.496 -10.013 -0.327 1.00 4.04 H new ATOM 0 HB2 GLU A 61 -2.873 -8.739 -1.734 1.00 12.20 H new ATOM 0 HB3 GLU A 61 -1.967 -10.056 -2.452 1.00 12.20 H new ATOM 0 HG2 GLU A 61 -2.490 -11.481 -0.479 1.00 33.24 H new ATOM 0 HG3 GLU A 61 -3.412 -10.164 0.220 1.00 33.24 H new ATOM 1050 N GLY A 62 -0.083 -7.136 -1.810 1.00 2.32 N ATOM 1051 CA GLY A 62 0.773 -6.381 -2.722 1.00 34.53 C ATOM 1052 C GLY A 62 2.136 -6.026 -2.138 1.00 41.44 C ATOM 1053 O GLY A 62 3.158 -6.202 -2.806 1.00 71.54 O ATOM 0 H GLY A 62 -0.703 -6.560 -1.240 1.00 2.32 H new ATOM 0 HA2 GLY A 62 0.919 -6.962 -3.633 1.00 34.53 H new ATOM 0 HA3 GLY A 62 0.261 -5.462 -3.009 1.00 34.53 H new ATOM 1057 N VAL A 63 2.148 -5.526 -0.890 1.00 13.21 N ATOM 1058 CA VAL A 63 3.393 -5.130 -0.197 1.00 21.10 C ATOM 1059 C VAL A 63 4.323 -6.338 0.039 1.00 62.21 C ATOM 1060 O VAL A 63 5.541 -6.182 0.171 1.00 10.30 O ATOM 1061 CB VAL A 63 3.069 -4.402 1.149 1.00 1.44 C ATOM 1062 CG1 VAL A 63 2.784 -5.375 2.299 1.00 73.30 C ATOM 1063 CG2 VAL A 63 4.189 -3.439 1.522 1.00 1.13 C ATOM 0 H VAL A 63 1.304 -5.385 -0.335 1.00 13.21 H new ATOM 0 HA VAL A 63 3.924 -4.433 -0.846 1.00 21.10 H new ATOM 0 HB VAL A 63 2.152 -3.835 0.986 1.00 1.44 H new ATOM 0 HG11 VAL A 63 2.566 -4.812 3.206 1.00 73.30 H new ATOM 0 HG12 VAL A 63 1.927 -5.999 2.044 1.00 73.30 H new ATOM 0 HG13 VAL A 63 3.656 -6.007 2.465 1.00 73.30 H new ATOM 0 HG21 VAL A 63 3.944 -2.943 2.461 1.00 1.13 H new ATOM 0 HG22 VAL A 63 5.121 -3.992 1.636 1.00 1.13 H new ATOM 0 HG23 VAL A 63 4.304 -2.692 0.736 1.00 1.13 H new ATOM 1073 N ALA A 64 3.717 -7.527 0.088 1.00 31.45 N ATOM 1074 CA ALA A 64 4.440 -8.787 0.294 1.00 31.03 C ATOM 1075 C ALA A 64 5.172 -9.233 -0.979 1.00 33.41 C ATOM 1076 O ALA A 64 5.957 -10.187 -0.954 1.00 20.51 O ATOM 1077 CB ALA A 64 3.469 -9.863 0.753 1.00 31.20 C ATOM 0 H ALA A 64 2.709 -7.645 -0.014 1.00 31.45 H new ATOM 0 HA ALA A 64 5.194 -8.626 1.064 1.00 31.03 H new ATOM 0 HB1 ALA A 64 4.008 -10.798 0.905 1.00 31.20 H new ATOM 0 HB2 ALA A 64 3.002 -9.556 1.689 1.00 31.20 H new ATOM 0 HB3 ALA A 64 2.700 -10.007 -0.006 1.00 31.20 H new ATOM 1083 N GLN A 65 4.906 -8.524 -2.084 1.00 10.14 N ATOM 1084 CA GLN A 65 5.521 -8.816 -3.383 1.00 4.44 C ATOM 1085 C GLN A 65 6.804 -7.997 -3.587 1.00 1.34 C ATOM 1086 O GLN A 65 7.562 -8.248 -4.530 1.00 54.10 O ATOM 1087 CB GLN A 65 4.529 -8.518 -4.520 1.00 23.01 C ATOM 1088 CG GLN A 65 3.140 -9.120 -4.310 1.00 41.22 C ATOM 1089 CD GLN A 65 2.177 -8.850 -5.456 1.00 21.44 C ATOM 1090 OE1 GLN A 65 2.564 -8.813 -6.627 1.00 10.20 O ATOM 1091 NE2 GLN A 65 0.907 -8.649 -5.119 1.00 4.02 N ATOM 0 H GLN A 65 4.260 -7.735 -2.102 1.00 10.14 H new ATOM 0 HA GLN A 65 5.782 -9.874 -3.399 1.00 4.44 H new ATOM 0 HB2 GLN A 65 4.432 -7.438 -4.630 1.00 23.01 H new ATOM 0 HB3 GLN A 65 4.940 -8.898 -5.455 1.00 23.01 H new ATOM 0 HG2 GLN A 65 3.237 -10.197 -4.175 1.00 41.22 H new ATOM 0 HG3 GLN A 65 2.716 -8.720 -3.389 1.00 41.22 H new ATOM 0 HE21 GLN A 65 0.627 -8.688 -4.139 1.00 4.02 H new ATOM 0 HE22 GLN A 65 0.212 -8.456 -5.840 1.00 4.02 H new ATOM 1100 N MET A 66 7.038 -7.024 -2.693 1.00 51.30 N ATOM 1101 CA MET A 66 8.217 -6.156 -2.765 1.00 45.42 C ATOM 1102 C MET A 66 9.220 -6.496 -1.661 1.00 14.24 C ATOM 1103 O MET A 66 8.848 -7.052 -0.623 1.00 42.21 O ATOM 1104 CB MET A 66 7.834 -4.665 -2.669 1.00 54.20 C ATOM 1105 CG MET A 66 6.342 -4.364 -2.527 1.00 71.10 C ATOM 1106 SD MET A 66 5.912 -2.676 -3.019 1.00 71.25 S ATOM 1107 CE MET A 66 7.016 -1.699 -1.995 1.00 23.31 C ATOM 0 H MET A 66 6.420 -6.820 -1.908 1.00 51.30 H new ATOM 0 HA MET A 66 8.680 -6.333 -3.736 1.00 45.42 H new ATOM 0 HB2 MET A 66 8.355 -4.231 -1.816 1.00 54.20 H new ATOM 0 HB3 MET A 66 8.204 -4.157 -3.560 1.00 54.20 H new ATOM 0 HG2 MET A 66 5.775 -5.069 -3.135 1.00 71.10 H new ATOM 0 HG3 MET A 66 6.042 -4.522 -1.491 1.00 71.10 H new ATOM 0 HE1 MET A 66 6.820 -0.639 -2.157 1.00 23.31 H new ATOM 0 HE2 MET A 66 6.850 -1.942 -0.946 1.00 23.31 H new ATOM 0 HE3 MET A 66 8.050 -1.921 -2.259 1.00 23.31 H new ATOM 1117 N SER A 67 10.490 -6.143 -1.898 1.00 4.44 N ATOM 1118 CA SER A 67 11.573 -6.396 -0.942 1.00 50.24 C ATOM 1119 C SER A 67 12.087 -5.080 -0.352 1.00 5.23 C ATOM 1120 O SER A 67 11.780 -4.009 -0.875 1.00 51.25 O ATOM 1121 CB SER A 67 12.716 -7.151 -1.631 1.00 21.11 C ATOM 1122 OG SER A 67 13.096 -6.512 -2.839 1.00 40.45 O ATOM 0 H SER A 67 10.793 -5.677 -2.753 1.00 4.44 H new ATOM 0 HA SER A 67 11.184 -7.009 -0.129 1.00 50.24 H new ATOM 0 HB2 SER A 67 13.574 -7.208 -0.961 1.00 21.11 H new ATOM 0 HB3 SER A 67 12.406 -8.175 -1.840 1.00 21.11 H new ATOM 0 HG SER A 67 12.690 -6.980 -3.598 1.00 40.45 H new ATOM 1128 N VAL A 68 12.882 -5.170 0.733 1.00 33.02 N ATOM 1129 CA VAL A 68 13.450 -3.986 1.413 1.00 53.10 C ATOM 1130 C VAL A 68 14.254 -3.110 0.435 1.00 12.43 C ATOM 1131 O VAL A 68 15.195 -3.584 -0.209 1.00 21.20 O ATOM 1132 CB VAL A 68 14.342 -4.403 2.627 1.00 34.11 C ATOM 1133 CG1 VAL A 68 15.130 -3.225 3.199 1.00 30.52 C ATOM 1134 CG2 VAL A 68 13.493 -5.031 3.727 1.00 13.21 C ATOM 0 H VAL A 68 13.147 -6.057 1.161 1.00 33.02 H new ATOM 0 HA VAL A 68 12.613 -3.397 1.789 1.00 53.10 H new ATOM 0 HB VAL A 68 15.058 -5.135 2.254 1.00 34.11 H new ATOM 0 HG11 VAL A 68 15.734 -3.565 4.040 1.00 30.52 H new ATOM 0 HG12 VAL A 68 15.781 -2.814 2.427 1.00 30.52 H new ATOM 0 HG13 VAL A 68 14.438 -2.454 3.538 1.00 30.52 H new ATOM 0 HG21 VAL A 68 14.132 -5.314 4.563 1.00 13.21 H new ATOM 0 HG22 VAL A 68 12.748 -4.312 4.067 1.00 13.21 H new ATOM 0 HG23 VAL A 68 12.991 -5.917 3.338 1.00 13.21 H new ATOM 1144 N GLY A 69 13.856 -1.837 0.342 1.00 54.02 N ATOM 1145 CA GLY A 69 14.515 -0.888 -0.548 1.00 71.34 C ATOM 1146 C GLY A 69 13.892 -0.836 -1.938 1.00 5.22 C ATOM 1147 O GLY A 69 14.401 -0.133 -2.816 1.00 23.21 O ATOM 0 H GLY A 69 13.080 -1.444 0.874 1.00 54.02 H new ATOM 0 HA2 GLY A 69 14.476 0.106 -0.102 1.00 71.34 H new ATOM 0 HA3 GLY A 69 15.568 -1.156 -0.639 1.00 71.34 H new ATOM 1151 N GLN A 70 12.791 -1.578 -2.132 1.00 55.02 N ATOM 1152 CA GLN A 70 12.100 -1.624 -3.422 1.00 4.10 C ATOM 1153 C GLN A 70 10.934 -0.637 -3.464 1.00 65.14 C ATOM 1154 O GLN A 70 10.227 -0.449 -2.469 1.00 64.15 O ATOM 1155 CB GLN A 70 11.591 -3.045 -3.710 1.00 54.10 C ATOM 1156 CG GLN A 70 11.356 -3.326 -5.190 1.00 53.24 C ATOM 1157 CD GLN A 70 10.629 -4.634 -5.437 1.00 75.44 C ATOM 1158 OE1 GLN A 70 9.314 -4.555 -5.602 1.00 62.23 O flip ATOM 1159 NE2 GLN A 70 11.245 -5.698 -5.498 1.00 4.25 N flip ATOM 0 H GLN A 70 12.362 -2.154 -1.408 1.00 55.02 H new ATOM 0 HA GLN A 70 12.818 -1.338 -4.191 1.00 4.10 H new ATOM 0 HB2 GLN A 70 12.312 -3.765 -3.323 1.00 54.10 H new ATOM 0 HB3 GLN A 70 10.659 -3.204 -3.167 1.00 54.10 H new ATOM 0 HG2 GLN A 70 10.779 -2.509 -5.622 1.00 53.24 H new ATOM 0 HG3 GLN A 70 12.315 -3.347 -5.707 1.00 53.24 H new ATOM 0 HE21 GLN A 70 12.256 -5.710 -5.365 1.00 4.25 H new ATOM 0 HE22 GLN A 70 10.744 -6.567 -5.682 1.00 4.25 H new ATOM 1168 N ARG A 71 10.757 -0.019 -4.632 1.00 33.42 N ATOM 1169 CA ARG A 71 9.675 0.938 -4.861 1.00 34.40 C ATOM 1170 C ARG A 71 8.783 0.433 -6.001 1.00 60.34 C ATOM 1171 O ARG A 71 9.195 0.424 -7.167 1.00 3.51 O ATOM 1172 CB ARG A 71 10.255 2.326 -5.185 1.00 73.14 C ATOM 1173 CG ARG A 71 9.294 3.485 -4.929 1.00 14.30 C ATOM 1174 CD ARG A 71 9.053 4.292 -6.194 1.00 71.52 C ATOM 1175 NE ARG A 71 8.077 5.367 -5.983 1.00 3.22 N ATOM 1176 CZ ARG A 71 8.101 6.554 -6.606 1.00 32.00 C ATOM 1177 NH1 ARG A 71 9.050 6.848 -7.494 1.00 54.01 N ATOM 1178 NH2 ARG A 71 7.165 7.453 -6.337 1.00 42.24 N ATOM 0 H ARG A 71 11.357 -0.167 -5.443 1.00 33.42 H new ATOM 0 HA ARG A 71 9.070 1.030 -3.959 1.00 34.40 H new ATOM 0 HB2 ARG A 71 11.156 2.478 -4.590 1.00 73.14 H new ATOM 0 HB3 ARG A 71 10.558 2.345 -6.232 1.00 73.14 H new ATOM 0 HG2 ARG A 71 8.346 3.098 -4.556 1.00 14.30 H new ATOM 0 HG3 ARG A 71 9.701 4.134 -4.153 1.00 14.30 H new ATOM 0 HD2 ARG A 71 9.995 4.720 -6.536 1.00 71.52 H new ATOM 0 HD3 ARG A 71 8.698 3.630 -6.984 1.00 71.52 H new ATOM 0 HE ARG A 71 7.326 5.199 -5.314 1.00 3.22 H new ATOM 0 HH11 ARG A 71 9.775 6.164 -7.710 1.00 54.01 H new ATOM 0 HH12 ARG A 71 9.051 7.757 -7.957 1.00 54.01 H new ATOM 0 HH21 ARG A 71 6.433 7.240 -5.660 1.00 42.24 H new ATOM 0 HH22 ARG A 71 7.177 8.358 -6.807 1.00 42.24 H new ATOM 1192 N ALA A 72 7.567 0.000 -5.648 1.00 5.10 N ATOM 1193 CA ALA A 72 6.615 -0.526 -6.627 1.00 53.23 C ATOM 1194 C ALA A 72 5.231 0.110 -6.476 1.00 61.04 C ATOM 1195 O ALA A 72 4.885 0.608 -5.400 1.00 32.53 O ATOM 1196 CB ALA A 72 6.520 -2.041 -6.498 1.00 53.11 C ATOM 0 H ALA A 72 7.221 0.005 -4.689 1.00 5.10 H new ATOM 0 HA ALA A 72 6.983 -0.270 -7.620 1.00 53.23 H new ATOM 0 HB1 ALA A 72 5.809 -2.425 -7.230 1.00 53.11 H new ATOM 0 HB2 ALA A 72 7.500 -2.484 -6.677 1.00 53.11 H new ATOM 0 HB3 ALA A 72 6.183 -2.300 -5.494 1.00 53.11 H new HETATM 1202 N MLY A 73 4.448 0.083 -7.565 1.00 72.40 N HETATM 1203 CA MLY A 73 3.097 0.644 -7.573 1.00 10.44 C HETATM 1204 CB MLY A 73 2.891 1.507 -8.821 1.00 42.22 C HETATM 1205 CG MLY A 73 2.059 2.758 -8.576 1.00 32.23 C HETATM 1206 CD MLY A 73 1.900 3.584 -9.847 1.00 43.41 C HETATM 1207 CE MLY A 73 2.847 4.778 -9.863 1.00 12.10 C HETATM 1208 NZ MLY A 73 2.634 5.571 -11.086 1.00 24.53 N HETATM 1209 CH1 MLY A 73 3.880 5.618 -11.867 1.00 62.33 C HETATM 1210 CH2 MLY A 73 2.235 6.939 -10.723 1.00 20.10 C HETATM 1211 C MLY A 73 2.058 -0.472 -7.528 1.00 30.22 C HETATM 1212 O MLY A 73 2.103 -1.401 -8.340 1.00 52.40 O HETATM 0 HH23 MLY A 73 1.311 6.907 -10.146 1.00 20.10 H new HETATM 0 HH22 MLY A 73 3.020 7.400 -10.124 1.00 20.10 H new HETATM 0 HH21 MLY A 73 2.078 7.525 -11.629 1.00 20.10 H new HETATM 0 HH13 MLY A 73 4.667 6.078 -11.269 1.00 62.33 H new HETATM 0 HH12 MLY A 73 4.177 4.605 -12.139 1.00 62.33 H new HETATM 0 HH11 MLY A 73 3.721 6.205 -12.771 1.00 62.33 H new HETATM 0 HG3 MLY A 73 1.076 2.474 -8.201 1.00 32.23 H new HETATM 0 HG2 MLY A 73 2.532 3.365 -7.804 1.00 32.23 H new HETATM 0 HE3 MLY A 73 2.678 5.399 -8.983 1.00 12.10 H new HETATM 0 HE2 MLY A 73 3.880 4.434 -9.818 1.00 12.10 H new HETATM 0 HD3 MLY A 73 2.092 2.955 -10.716 1.00 43.41 H new HETATM 0 HD2 MLY A 73 0.871 3.934 -9.928 1.00 43.41 H new HETATM 0 HB3 MLY A 73 3.865 1.801 -9.212 1.00 42.22 H new HETATM 0 HB2 MLY A 73 2.407 0.906 -9.591 1.00 42.22 H new HETATM 0 HA MLY A 73 2.975 1.269 -6.689 1.00 10.44 H new HETATM 0 H MLY A 73 5.092 0.293 -8.327 1.00 72.40 H new ATOM 1229 N LEU A 74 1.125 -0.374 -6.576 1.00 74.52 N ATOM 1230 CA LEU A 74 0.075 -1.384 -6.416 1.00 74.33 C ATOM 1231 C LEU A 74 -1.288 -0.828 -6.813 1.00 30.42 C ATOM 1232 O LEU A 74 -1.707 0.227 -6.327 1.00 24.14 O ATOM 1233 CB LEU A 74 0.008 -1.921 -4.969 1.00 54.31 C ATOM 1234 CG LEU A 74 1.237 -1.671 -4.084 1.00 51.21 C ATOM 1235 CD1 LEU A 74 1.063 -0.378 -3.302 1.00 53.33 C ATOM 1236 CD2 LEU A 74 1.470 -2.845 -3.140 1.00 45.42 C ATOM 0 H LEU A 74 1.076 0.393 -5.906 1.00 74.52 H new ATOM 0 HA LEU A 74 0.333 -2.210 -7.079 1.00 74.33 H new ATOM 0 HB2 LEU A 74 -0.859 -1.476 -4.481 1.00 54.31 H new ATOM 0 HB3 LEU A 74 -0.167 -2.996 -5.013 1.00 54.31 H new ATOM 0 HG LEU A 74 2.114 -1.576 -4.725 1.00 51.21 H new ATOM 0 HD11 LEU A 74 1.940 -0.210 -2.677 1.00 53.33 H new ATOM 0 HD12 LEU A 74 0.947 0.454 -3.996 1.00 53.33 H new ATOM 0 HD13 LEU A 74 0.177 -0.451 -2.671 1.00 53.33 H new ATOM 0 HD21 LEU A 74 2.346 -2.647 -2.522 1.00 45.42 H new ATOM 0 HD22 LEU A 74 0.597 -2.977 -2.501 1.00 45.42 H new ATOM 0 HD23 LEU A 74 1.634 -3.752 -3.721 1.00 45.42 H new ATOM 1248 N THR A 75 -1.968 -1.556 -7.704 1.00 22.43 N ATOM 1249 CA THR A 75 -3.299 -1.185 -8.182 1.00 34.30 C ATOM 1250 C THR A 75 -4.363 -1.909 -7.352 1.00 11.12 C ATOM 1251 O THR A 75 -4.465 -3.140 -7.396 1.00 0.33 O ATOM 1252 CB THR A 75 -3.476 -1.528 -9.685 1.00 53.12 C ATOM 1253 OG1 THR A 75 -2.302 -1.151 -10.416 1.00 4.44 O ATOM 1254 CG2 THR A 75 -4.687 -0.819 -10.288 1.00 22.41 C ATOM 0 H THR A 75 -1.609 -2.419 -8.113 1.00 22.43 H new ATOM 0 HA THR A 75 -3.414 -0.107 -8.069 1.00 34.30 H new ATOM 0 HB THR A 75 -3.635 -2.604 -9.757 1.00 53.12 H new ATOM 0 HG1 THR A 75 -2.421 -1.372 -11.363 1.00 4.44 H new ATOM 0 HG21 THR A 75 -4.777 -1.085 -11.341 1.00 22.41 H new ATOM 0 HG22 THR A 75 -5.589 -1.125 -9.758 1.00 22.41 H new ATOM 0 HG23 THR A 75 -4.560 0.260 -10.195 1.00 22.41 H new ATOM 1262 N ILE A 76 -5.139 -1.133 -6.596 1.00 31.12 N ATOM 1263 CA ILE A 76 -6.186 -1.685 -5.741 1.00 1.42 C ATOM 1264 C ILE A 76 -7.564 -1.402 -6.332 1.00 60.35 C ATOM 1265 O ILE A 76 -7.807 -0.331 -6.895 1.00 13.12 O ATOM 1266 CB ILE A 76 -6.103 -1.127 -4.281 1.00 70.02 C ATOM 1267 CG1 ILE A 76 -4.628 -1.054 -3.778 1.00 70.21 C ATOM 1268 CG2 ILE A 76 -6.979 -1.944 -3.319 1.00 75.11 C ATOM 1269 CD1 ILE A 76 -3.892 -2.387 -3.644 1.00 11.52 C ATOM 0 H ILE A 76 -5.061 -0.117 -6.559 1.00 31.12 H new ATOM 0 HA ILE A 76 -6.030 -2.763 -5.694 1.00 1.42 H new ATOM 0 HB ILE A 76 -6.493 -0.109 -4.300 1.00 70.02 H new ATOM 0 HG12 ILE A 76 -4.064 -0.419 -4.462 1.00 70.21 H new ATOM 0 HG13 ILE A 76 -4.622 -0.560 -2.806 1.00 70.21 H new ATOM 0 HG21 ILE A 76 -6.899 -1.530 -2.314 1.00 75.11 H new ATOM 0 HG22 ILE A 76 -8.018 -1.901 -3.647 1.00 75.11 H new ATOM 0 HG23 ILE A 76 -6.643 -2.981 -3.313 1.00 75.11 H new ATOM 0 HD11 ILE A 76 -2.878 -2.208 -3.287 1.00 11.52 H new ATOM 0 HD12 ILE A 76 -4.419 -3.024 -2.934 1.00 11.52 H new ATOM 0 HD13 ILE A 76 -3.853 -2.880 -4.615 1.00 11.52 H new ATOM 1281 N SER A 77 -8.447 -2.386 -6.190 1.00 11.11 N ATOM 1282 CA SER A 77 -9.818 -2.298 -6.687 1.00 42.11 C ATOM 1283 C SER A 77 -10.803 -2.077 -5.531 1.00 43.15 C ATOM 1284 O SER A 77 -10.452 -2.326 -4.375 1.00 74.23 O ATOM 1285 CB SER A 77 -10.186 -3.574 -7.466 1.00 53.42 C ATOM 1286 OG SER A 77 -9.409 -4.687 -7.053 1.00 32.12 O ATOM 0 H SER A 77 -8.233 -3.269 -5.726 1.00 11.11 H new ATOM 0 HA SER A 77 -9.884 -1.444 -7.361 1.00 42.11 H new ATOM 0 HB2 SER A 77 -11.243 -3.796 -7.322 1.00 53.42 H new ATOM 0 HB3 SER A 77 -10.039 -3.404 -8.532 1.00 53.42 H new ATOM 0 HG SER A 77 -8.493 -4.588 -7.386 1.00 32.12 H new ATOM 1292 N PRO A 78 -12.063 -1.606 -5.814 1.00 14.41 N ATOM 1293 CA PRO A 78 -13.081 -1.367 -4.767 1.00 50.11 C ATOM 1294 C PRO A 78 -13.459 -2.635 -3.989 1.00 62.43 C ATOM 1295 O PRO A 78 -14.031 -2.553 -2.905 1.00 15.12 O ATOM 1296 CB PRO A 78 -14.298 -0.837 -5.540 1.00 32.31 C ATOM 1297 CG PRO A 78 -14.070 -1.217 -6.963 1.00 23.43 C ATOM 1298 CD PRO A 78 -12.585 -1.266 -7.157 1.00 55.53 C ATOM 0 HA PRO A 78 -12.705 -0.677 -4.011 1.00 50.11 H new ATOM 0 HB2 PRO A 78 -15.222 -1.274 -5.162 1.00 32.31 H new ATOM 0 HB3 PRO A 78 -14.389 0.244 -5.433 1.00 32.31 H new ATOM 0 HG2 PRO A 78 -14.522 -2.184 -7.184 1.00 23.43 H new ATOM 0 HG3 PRO A 78 -14.526 -0.491 -7.636 1.00 23.43 H new ATOM 0 HD2 PRO A 78 -12.303 -2.015 -7.897 1.00 55.53 H new ATOM 0 HD3 PRO A 78 -12.196 -0.310 -7.507 1.00 55.53 H new ATOM 1306 N ASP A 79 -13.125 -3.800 -4.560 1.00 12.13 N ATOM 1307 CA ASP A 79 -13.405 -5.095 -3.937 1.00 63.51 C ATOM 1308 C ASP A 79 -12.293 -5.496 -2.960 1.00 41.14 C ATOM 1309 O ASP A 79 -12.532 -6.259 -2.019 1.00 2.04 O ATOM 1310 CB ASP A 79 -13.566 -6.162 -5.017 1.00 74.51 C ATOM 1311 CG ASP A 79 -15.012 -6.358 -5.428 1.00 73.03 C ATOM 1312 OD1 ASP A 79 -15.695 -7.201 -4.809 1.00 41.30 O ATOM 1313 OD2 ASP A 79 -15.461 -5.669 -6.367 1.00 45.33 O ATOM 0 H ASP A 79 -12.655 -3.869 -5.463 1.00 12.13 H new ATOM 0 HA ASP A 79 -14.332 -5.008 -3.370 1.00 63.51 H new ATOM 0 HB2 ASP A 79 -12.978 -5.881 -5.891 1.00 74.51 H new ATOM 0 HB3 ASP A 79 -13.164 -7.107 -4.652 1.00 74.51 H new ATOM 1318 N TYR A 80 -11.083 -4.973 -3.198 1.00 23.22 N ATOM 1319 CA TYR A 80 -9.923 -5.251 -2.342 1.00 53.15 C ATOM 1320 C TYR A 80 -9.633 -4.085 -1.397 1.00 65.53 C ATOM 1321 O TYR A 80 -8.943 -4.258 -0.388 1.00 12.33 O ATOM 1322 CB TYR A 80 -8.676 -5.537 -3.192 1.00 14.24 C ATOM 1323 CG TYR A 80 -8.463 -7.005 -3.511 1.00 54.54 C ATOM 1324 CD1 TYR A 80 -9.358 -7.709 -4.313 1.00 24.12 C ATOM 1325 CD2 TYR A 80 -7.361 -7.689 -3.005 1.00 35.12 C ATOM 1326 CE1 TYR A 80 -9.162 -9.045 -4.597 1.00 2.42 C ATOM 1327 CE2 TYR A 80 -7.161 -9.025 -3.288 1.00 30.14 C ATOM 1328 CZ TYR A 80 -8.064 -9.699 -4.083 1.00 23.34 C ATOM 1329 OH TYR A 80 -7.866 -11.031 -4.366 1.00 73.03 O ATOM 0 H TYR A 80 -10.882 -4.351 -3.981 1.00 23.22 H new ATOM 0 HA TYR A 80 -10.166 -6.131 -1.747 1.00 53.15 H new ATOM 0 HB2 TYR A 80 -8.752 -4.981 -4.127 1.00 14.24 H new ATOM 0 HB3 TYR A 80 -7.798 -5.160 -2.667 1.00 14.24 H new ATOM 0 HD1 TYR A 80 -10.220 -7.201 -4.719 1.00 24.12 H new ATOM 0 HD2 TYR A 80 -6.651 -7.166 -2.381 1.00 35.12 H new ATOM 0 HE1 TYR A 80 -9.867 -9.576 -5.220 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -6.300 -9.541 -2.888 1.00 30.14 H new ATOM 0 HH TYR A 80 -7.046 -11.340 -3.928 1.00 73.03 H new ATOM 1339 N ALA A 81 -10.164 -2.899 -1.732 1.00 54.11 N ATOM 1340 CA ALA A 81 -9.955 -1.692 -0.930 1.00 1.04 C ATOM 1341 C ALA A 81 -10.947 -1.576 0.238 1.00 31.52 C ATOM 1342 O ALA A 81 -10.535 -1.593 1.399 1.00 11.01 O ATOM 1343 CB ALA A 81 -10.020 -0.457 -1.823 1.00 23.45 C ATOM 0 H ALA A 81 -10.744 -2.754 -2.558 1.00 54.11 H new ATOM 0 HA ALA A 81 -8.963 -1.765 -0.484 1.00 1.04 H new ATOM 0 HB1 ALA A 81 -9.864 0.437 -1.219 1.00 23.45 H new ATOM 0 HB2 ALA A 81 -9.245 -0.519 -2.587 1.00 23.45 H new ATOM 0 HB3 ALA A 81 -10.998 -0.405 -2.302 1.00 23.45 H new ATOM 1349 N TYR A 82 -12.249 -1.468 -0.066 1.00 35.34 N ATOM 1350 CA TYR A 82 -13.272 -1.328 0.978 1.00 21.22 C ATOM 1351 C TYR A 82 -14.455 -2.267 0.737 1.00 64.31 C ATOM 1352 O TYR A 82 -14.846 -3.020 1.635 1.00 12.00 O ATOM 1353 CB TYR A 82 -13.757 0.132 1.057 1.00 60.11 C ATOM 1354 CG TYR A 82 -12.665 1.129 1.404 1.00 23.55 C ATOM 1355 CD1 TYR A 82 -12.470 1.546 2.714 1.00 60.20 C ATOM 1356 CD2 TYR A 82 -11.832 1.652 0.418 1.00 2.31 C ATOM 1357 CE1 TYR A 82 -11.479 2.455 3.034 1.00 51.12 C ATOM 1358 CE2 TYR A 82 -10.838 2.561 0.731 1.00 74.54 C ATOM 1359 CZ TYR A 82 -10.666 2.959 2.040 1.00 74.23 C ATOM 1360 OH TYR A 82 -9.679 3.863 2.357 1.00 54.35 O ATOM 0 H TYR A 82 -12.615 -1.475 -1.018 1.00 35.34 H new ATOM 0 HA TYR A 82 -12.817 -1.605 1.929 1.00 21.22 H new ATOM 0 HB2 TYR A 82 -14.197 0.410 0.099 1.00 60.11 H new ATOM 0 HB3 TYR A 82 -14.548 0.201 1.804 1.00 60.11 H new ATOM 0 HD1 TYR A 82 -13.103 1.154 3.496 1.00 60.20 H new ATOM 0 HD2 TYR A 82 -11.965 1.342 -0.608 1.00 2.31 H new ATOM 0 HE1 TYR A 82 -11.342 2.769 4.058 1.00 51.12 H new ATOM 0 HE2 TYR A 82 -10.200 2.957 -0.045 1.00 74.54 H new ATOM 0 HH TYR A 82 -9.196 4.118 1.544 1.00 54.35 H new ATOM 1370 N GLY A 83 -15.014 -2.213 -0.476 1.00 3.43 N ATOM 1371 CA GLY A 83 -16.148 -3.051 -0.834 1.00 10.01 C ATOM 1372 C GLY A 83 -17.037 -2.393 -1.869 1.00 71.34 C ATOM 1373 O GLY A 83 -16.539 -1.761 -2.806 1.00 23.23 O ATOM 0 H GLY A 83 -14.695 -1.595 -1.222 1.00 3.43 H new ATOM 0 HA2 GLY A 83 -15.787 -4.004 -1.220 1.00 10.01 H new ATOM 0 HA3 GLY A 83 -16.733 -3.270 0.059 1.00 10.01 H new ATOM 1377 N ALA A 84 -18.352 -2.542 -1.697 1.00 25.11 N ATOM 1378 CA ALA A 84 -19.329 -1.955 -2.616 1.00 33.53 C ATOM 1379 C ALA A 84 -19.867 -0.620 -2.089 1.00 20.43 C ATOM 1380 O ALA A 84 -20.546 0.111 -2.817 1.00 51.55 O ATOM 1381 CB ALA A 84 -20.470 -2.931 -2.862 1.00 43.40 C ATOM 0 H ALA A 84 -18.766 -3.066 -0.926 1.00 25.11 H new ATOM 0 HA ALA A 84 -18.823 -1.755 -3.561 1.00 33.53 H new ATOM 0 HB1 ALA A 84 -21.190 -2.484 -3.547 1.00 43.40 H new ATOM 0 HB2 ALA A 84 -20.076 -3.849 -3.299 1.00 43.40 H new ATOM 0 HB3 ALA A 84 -20.962 -3.161 -1.917 1.00 43.40 H new ATOM 1387 N THR A 85 -19.553 -0.312 -0.824 1.00 42.23 N ATOM 1388 CA THR A 85 -19.995 0.928 -0.189 1.00 52.23 C ATOM 1389 C THR A 85 -18.860 1.963 -0.181 1.00 53.03 C ATOM 1390 O THR A 85 -19.001 3.046 -0.756 1.00 62.14 O ATOM 1391 CB THR A 85 -20.494 0.670 1.261 1.00 63.55 C ATOM 1392 OG1 THR A 85 -21.247 -0.549 1.312 1.00 4.10 O ATOM 1393 CG2 THR A 85 -21.368 1.815 1.768 1.00 23.54 C ATOM 0 H THR A 85 -18.991 -0.912 -0.220 1.00 42.23 H new ATOM 0 HA THR A 85 -20.828 1.322 -0.771 1.00 52.23 H new ATOM 0 HB THR A 85 -19.615 0.596 1.901 1.00 63.55 H new ATOM 0 HG1 THR A 85 -21.556 -0.705 2.229 1.00 4.10 H new ATOM 0 HG21 THR A 85 -21.698 1.599 2.784 1.00 23.54 H new ATOM 0 HG22 THR A 85 -20.794 2.741 1.762 1.00 23.54 H new ATOM 0 HG23 THR A 85 -22.238 1.923 1.120 1.00 23.54 H new ATOM 1401 N GLY A 86 -17.738 1.616 0.476 1.00 73.04 N ATOM 1402 CA GLY A 86 -16.585 2.512 0.558 1.00 62.01 C ATOM 1403 C GLY A 86 -16.797 3.676 1.515 1.00 41.14 C ATOM 1404 O GLY A 86 -17.776 3.696 2.268 1.00 62.55 O ATOM 0 H GLY A 86 -17.612 0.724 0.954 1.00 73.04 H new ATOM 0 HA2 GLY A 86 -15.712 1.942 0.877 1.00 62.01 H new ATOM 0 HA3 GLY A 86 -16.365 2.902 -0.436 1.00 62.01 H new ATOM 1408 N HIS A 87 -15.873 4.643 1.479 1.00 12.34 N ATOM 1409 CA HIS A 87 -15.953 5.830 2.331 1.00 52.22 C ATOM 1410 C HIS A 87 -16.594 6.993 1.552 1.00 53.50 C ATOM 1411 O HIS A 87 -16.090 7.365 0.488 1.00 4.31 O ATOM 1412 CB HIS A 87 -14.555 6.225 2.832 1.00 33.04 C ATOM 1413 CG HIS A 87 -14.565 7.032 4.100 1.00 43.33 C ATOM 1414 ND1 HIS A 87 -14.150 6.547 5.320 1.00 62.14 N ATOM 1415 CD2 HIS A 87 -14.945 8.318 4.318 1.00 34.33 C ATOM 1416 CE1 HIS A 87 -14.288 7.529 6.221 1.00 71.03 C ATOM 1417 NE2 HIS A 87 -14.766 8.625 5.664 1.00 2.31 N ATOM 0 H HIS A 87 -15.059 4.624 0.865 1.00 12.34 H new ATOM 0 HA HIS A 87 -16.575 5.602 3.196 1.00 52.22 H new ATOM 0 HB2 HIS A 87 -13.969 5.320 2.994 1.00 33.04 H new ATOM 0 HB3 HIS A 87 -14.050 6.797 2.054 1.00 33.04 H new ATOM 0 HD2 HIS A 87 -15.325 8.994 3.567 1.00 34.33 H new ATOM 0 HE1 HIS A 87 -14.040 7.435 7.268 1.00 71.03 H new ATOM 0 HE2 HIS A 87 -14.964 9.514 6.124 1.00 2.31 H new ATOM 1425 N PRO A 88 -17.710 7.600 2.065 1.00 43.33 N ATOM 1426 CA PRO A 88 -18.398 8.704 1.365 1.00 44.10 C ATOM 1427 C PRO A 88 -17.589 10.008 1.325 1.00 24.12 C ATOM 1428 O PRO A 88 -17.166 10.521 2.367 1.00 52.53 O ATOM 1429 CB PRO A 88 -19.695 8.891 2.167 1.00 3.31 C ATOM 1430 CG PRO A 88 -19.403 8.355 3.528 1.00 11.32 C ATOM 1431 CD PRO A 88 -18.384 7.261 3.347 1.00 31.53 C ATOM 0 HA PRO A 88 -18.559 8.462 0.315 1.00 44.10 H new ATOM 0 HB2 PRO A 88 -19.980 9.942 2.212 1.00 3.31 H new ATOM 0 HB3 PRO A 88 -20.524 8.355 1.704 1.00 3.31 H new ATOM 0 HG2 PRO A 88 -19.018 9.140 4.180 1.00 11.32 H new ATOM 0 HG3 PRO A 88 -20.309 7.968 3.995 1.00 11.32 H new ATOM 0 HD2 PRO A 88 -17.676 7.235 4.175 1.00 31.53 H new ATOM 0 HD3 PRO A 88 -18.857 6.280 3.301 1.00 31.53 H new ATOM 1439 N GLY A 89 -17.378 10.520 0.108 1.00 63.23 N ATOM 1440 CA GLY A 89 -16.637 11.758 -0.077 1.00 34.40 C ATOM 1441 C GLY A 89 -15.254 11.549 -0.669 1.00 12.22 C ATOM 1442 O GLY A 89 -14.873 12.247 -1.613 1.00 23.13 O ATOM 0 H GLY A 89 -17.711 10.093 -0.757 1.00 63.23 H new ATOM 0 HA2 GLY A 89 -17.207 12.420 -0.729 1.00 34.40 H new ATOM 0 HA3 GLY A 89 -16.540 12.262 0.884 1.00 34.40 H new ATOM 1446 N ILE A 90 -14.505 10.589 -0.114 1.00 11.03 N ATOM 1447 CA ILE A 90 -13.143 10.301 -0.577 1.00 12.54 C ATOM 1448 C ILE A 90 -13.103 9.064 -1.488 1.00 61.23 C ATOM 1449 O ILE A 90 -12.544 9.122 -2.588 1.00 42.54 O ATOM 1450 CB ILE A 90 -12.152 10.104 0.611 1.00 64.12 C ATOM 1451 CG1 ILE A 90 -12.422 11.130 1.724 1.00 73.33 C ATOM 1452 CG2 ILE A 90 -10.701 10.226 0.131 1.00 3.31 C ATOM 1453 CD1 ILE A 90 -12.187 10.593 3.119 1.00 60.20 C ATOM 0 H ILE A 90 -14.819 9.999 0.656 1.00 11.03 H new ATOM 0 HA ILE A 90 -12.827 11.172 -1.151 1.00 12.54 H new ATOM 0 HB ILE A 90 -12.307 9.103 1.013 1.00 64.12 H new ATOM 0 HG12 ILE A 90 -11.783 11.999 1.567 1.00 73.33 H new ATOM 0 HG13 ILE A 90 -13.453 11.474 1.646 1.00 73.33 H new ATOM 0 HG21 ILE A 90 -10.026 10.085 0.975 1.00 3.31 H new ATOM 0 HG22 ILE A 90 -10.502 9.465 -0.624 1.00 3.31 H new ATOM 0 HG23 ILE A 90 -10.542 11.214 -0.300 1.00 3.31 H new ATOM 0 HD11 ILE A 90 -12.398 11.374 3.850 1.00 60.20 H new ATOM 0 HD12 ILE A 90 -12.845 9.742 3.297 1.00 60.20 H new ATOM 0 HD13 ILE A 90 -11.149 10.276 3.217 1.00 60.20 H new ATOM 1465 N ILE A 91 -13.697 7.956 -1.025 1.00 33.14 N ATOM 1466 CA ILE A 91 -13.701 6.703 -1.784 1.00 30.21 C ATOM 1467 C ILE A 91 -15.122 6.356 -2.285 1.00 51.24 C ATOM 1468 O ILE A 91 -15.931 5.813 -1.525 1.00 52.40 O ATOM 1469 CB ILE A 91 -13.124 5.514 -0.941 1.00 70.43 C ATOM 1470 CG1 ILE A 91 -11.825 5.907 -0.176 1.00 74.32 C ATOM 1471 CG2 ILE A 91 -12.882 4.273 -1.813 1.00 53.23 C ATOM 1472 CD1 ILE A 91 -10.672 6.436 -1.030 1.00 2.32 C ATOM 0 H ILE A 91 -14.180 7.904 -0.128 1.00 33.14 H new ATOM 0 HA ILE A 91 -13.054 6.854 -2.648 1.00 30.21 H new ATOM 0 HB ILE A 91 -13.880 5.268 -0.196 1.00 70.43 H new ATOM 0 HG12 ILE A 91 -12.080 6.666 0.564 1.00 74.32 H new ATOM 0 HG13 ILE A 91 -11.473 5.033 0.372 1.00 74.32 H new ATOM 0 HG21 ILE A 91 -12.482 3.468 -1.197 1.00 53.23 H new ATOM 0 HG22 ILE A 91 -13.823 3.954 -2.261 1.00 53.23 H new ATOM 0 HG23 ILE A 91 -12.169 4.515 -2.601 1.00 53.23 H new ATOM 0 HD11 ILE A 91 -9.824 6.676 -0.388 1.00 2.32 H new ATOM 0 HD12 ILE A 91 -10.376 5.676 -1.753 1.00 2.32 H new ATOM 0 HD13 ILE A 91 -10.993 7.334 -1.558 1.00 2.32 H new ATOM 1484 N PRO A 92 -15.450 6.666 -3.577 1.00 65.32 N ATOM 1485 CA PRO A 92 -16.773 6.356 -4.156 1.00 52.13 C ATOM 1486 C PRO A 92 -16.972 4.844 -4.417 1.00 22.44 C ATOM 1487 O PRO A 92 -15.996 4.089 -4.395 1.00 33.23 O ATOM 1488 CB PRO A 92 -16.779 7.145 -5.472 1.00 2.33 C ATOM 1489 CG PRO A 92 -15.348 7.286 -5.849 1.00 52.44 C ATOM 1490 CD PRO A 92 -14.578 7.363 -4.557 1.00 13.45 C ATOM 0 HA PRO A 92 -17.585 6.625 -3.481 1.00 52.13 H new ATOM 0 HB2 PRO A 92 -17.340 6.618 -6.244 1.00 2.33 H new ATOM 0 HB3 PRO A 92 -17.250 8.119 -5.345 1.00 2.33 H new ATOM 0 HG2 PRO A 92 -15.018 6.438 -6.449 1.00 52.44 H new ATOM 0 HG3 PRO A 92 -15.190 8.182 -6.450 1.00 52.44 H new ATOM 0 HD2 PRO A 92 -13.606 6.878 -4.642 1.00 13.45 H new ATOM 0 HD3 PRO A 92 -14.394 8.396 -4.263 1.00 13.45 H new ATOM 1498 N PRO A 93 -18.236 4.379 -4.668 1.00 53.53 N ATOM 1499 CA PRO A 93 -18.522 2.953 -4.922 1.00 52.41 C ATOM 1500 C PRO A 93 -18.101 2.492 -6.323 1.00 70.11 C ATOM 1501 O PRO A 93 -18.223 3.246 -7.293 1.00 21.32 O ATOM 1502 CB PRO A 93 -20.045 2.868 -4.761 1.00 64.31 C ATOM 1503 CG PRO A 93 -20.552 4.225 -5.117 1.00 30.24 C ATOM 1504 CD PRO A 93 -19.474 5.200 -4.714 1.00 73.21 C ATOM 0 HA PRO A 93 -17.964 2.305 -4.246 1.00 52.41 H new ATOM 0 HB2 PRO A 93 -20.468 2.105 -5.415 1.00 64.31 H new ATOM 0 HB3 PRO A 93 -20.319 2.600 -3.740 1.00 64.31 H new ATOM 0 HG2 PRO A 93 -20.759 4.295 -6.185 1.00 30.24 H new ATOM 0 HG3 PRO A 93 -21.485 4.440 -4.596 1.00 30.24 H new ATOM 0 HD2 PRO A 93 -19.385 6.014 -5.433 1.00 73.21 H new ATOM 0 HD3 PRO A 93 -19.688 5.652 -3.745 1.00 73.21 H new ATOM 1512 N HIS A 94 -17.605 1.239 -6.413 1.00 21.21 N ATOM 1513 CA HIS A 94 -17.152 0.624 -7.686 1.00 45.34 C ATOM 1514 C HIS A 94 -16.059 1.470 -8.373 1.00 60.20 C ATOM 1515 O HIS A 94 -16.070 1.664 -9.597 1.00 61.45 O ATOM 1516 CB HIS A 94 -18.345 0.385 -8.642 1.00 53.42 C ATOM 1517 CG HIS A 94 -19.406 -0.512 -8.078 1.00 13.53 C ATOM 1518 ND1 HIS A 94 -19.342 -1.888 -8.101 1.00 25.22 N ATOM 1519 CD2 HIS A 94 -20.573 -0.201 -7.458 1.00 61.31 C ATOM 1520 CE1 HIS A 94 -20.448 -2.360 -7.508 1.00 14.10 C ATOM 1521 NE2 HIS A 94 -21.227 -1.377 -7.100 1.00 70.34 N ATOM 0 H HIS A 94 -17.506 0.623 -5.606 1.00 21.21 H new ATOM 0 HA HIS A 94 -16.712 -0.342 -7.440 1.00 45.34 H new ATOM 0 HB2 HIS A 94 -18.793 1.346 -8.896 1.00 53.42 H new ATOM 0 HB3 HIS A 94 -17.973 -0.048 -9.570 1.00 53.42 H new ATOM 0 HD2 HIS A 94 -20.936 0.799 -7.272 1.00 61.31 H new ATOM 0 HE1 HIS A 94 -20.672 -3.409 -7.381 1.00 14.10 H new ATOM 0 HE2 HIS A 94 -22.124 -1.461 -6.621 1.00 70.34 H new ATOM 1529 N ALA A 95 -15.106 1.954 -7.566 1.00 4.51 N ATOM 1530 CA ALA A 95 -14.013 2.787 -8.059 1.00 71.05 C ATOM 1531 C ALA A 95 -12.653 2.202 -7.703 1.00 4.34 C ATOM 1532 O ALA A 95 -12.413 1.791 -6.564 1.00 71.42 O ATOM 1533 CB ALA A 95 -14.145 4.201 -7.511 1.00 13.05 C ATOM 0 H ALA A 95 -15.075 1.778 -6.562 1.00 4.51 H new ATOM 0 HA ALA A 95 -14.080 2.817 -9.146 1.00 71.05 H new ATOM 0 HB1 ALA A 95 -13.325 4.814 -7.885 1.00 13.05 H new ATOM 0 HB2 ALA A 95 -15.094 4.629 -7.833 1.00 13.05 H new ATOM 0 HB3 ALA A 95 -14.111 4.174 -6.422 1.00 13.05 H new ATOM 1539 N THR A 96 -11.775 2.178 -8.707 1.00 34.22 N ATOM 1540 CA THR A 96 -10.408 1.663 -8.575 1.00 13.14 C ATOM 1541 C THR A 96 -9.471 2.737 -8.002 1.00 22.22 C ATOM 1542 O THR A 96 -9.567 3.914 -8.362 1.00 73.11 O ATOM 1543 CB THR A 96 -9.882 1.178 -9.950 1.00 32.40 C ATOM 1544 OG1 THR A 96 -10.884 0.389 -10.604 1.00 74.25 O ATOM 1545 CG2 THR A 96 -8.607 0.346 -9.817 1.00 64.35 C ATOM 0 H THR A 96 -11.993 2.518 -9.644 1.00 34.22 H new ATOM 0 HA THR A 96 -10.428 0.820 -7.884 1.00 13.14 H new ATOM 0 HB THR A 96 -9.650 2.066 -10.538 1.00 32.40 H new ATOM 0 HG1 THR A 96 -11.348 0.937 -11.271 1.00 74.25 H new ATOM 0 HG21 THR A 96 -8.275 0.028 -10.805 1.00 64.35 H new ATOM 0 HG22 THR A 96 -7.828 0.947 -9.349 1.00 64.35 H new ATOM 0 HG23 THR A 96 -8.808 -0.531 -9.202 1.00 64.35 H new ATOM 1553 N LEU A 97 -8.574 2.304 -7.111 1.00 71.52 N ATOM 1554 CA LEU A 97 -7.613 3.197 -6.463 1.00 52.44 C ATOM 1555 C LEU A 97 -6.179 2.781 -6.786 1.00 25.12 C ATOM 1556 O LEU A 97 -5.907 1.601 -7.033 1.00 65.13 O ATOM 1557 CB LEU A 97 -7.826 3.183 -4.942 1.00 65.44 C ATOM 1558 CG LEU A 97 -9.251 3.500 -4.466 1.00 4.14 C ATOM 1559 CD1 LEU A 97 -9.574 2.715 -3.206 1.00 14.14 C ATOM 1560 CD2 LEU A 97 -9.430 4.990 -4.226 1.00 45.25 C ATOM 0 H LEU A 97 -8.495 1.329 -6.821 1.00 71.52 H new ATOM 0 HA LEU A 97 -7.775 4.206 -6.843 1.00 52.44 H new ATOM 0 HB2 LEU A 97 -7.547 2.200 -4.564 1.00 65.44 H new ATOM 0 HB3 LEU A 97 -7.143 3.904 -4.491 1.00 65.44 H new ATOM 0 HG LEU A 97 -9.945 3.201 -5.252 1.00 4.14 H new ATOM 0 HD11 LEU A 97 -10.587 2.950 -2.881 1.00 14.14 H new ATOM 0 HD12 LEU A 97 -9.498 1.648 -3.413 1.00 14.14 H new ATOM 0 HD13 LEU A 97 -8.869 2.983 -2.419 1.00 14.14 H new ATOM 0 HD21 LEU A 97 -10.448 5.185 -3.890 1.00 45.25 H new ATOM 0 HD22 LEU A 97 -8.726 5.323 -3.463 1.00 45.25 H new ATOM 0 HD23 LEU A 97 -9.244 5.533 -5.153 1.00 45.25 H new ATOM 1572 N VAL A 98 -5.272 3.761 -6.779 1.00 33.31 N ATOM 1573 CA VAL A 98 -3.852 3.524 -7.062 1.00 60.04 C ATOM 1574 C VAL A 98 -3.014 3.937 -5.848 1.00 55.00 C ATOM 1575 O VAL A 98 -3.198 5.026 -5.305 1.00 63.34 O ATOM 1576 CB VAL A 98 -3.372 4.305 -8.329 1.00 0.44 C ATOM 1577 CG1 VAL A 98 -1.941 3.931 -8.719 1.00 51.44 C ATOM 1578 CG2 VAL A 98 -4.306 4.067 -9.513 1.00 72.32 C ATOM 0 H VAL A 98 -5.498 4.735 -6.579 1.00 33.31 H new ATOM 0 HA VAL A 98 -3.722 2.460 -7.262 1.00 60.04 H new ATOM 0 HB VAL A 98 -3.392 5.364 -8.070 1.00 0.44 H new ATOM 0 HG11 VAL A 98 -1.646 4.495 -9.604 1.00 51.44 H new ATOM 0 HG12 VAL A 98 -1.266 4.167 -7.896 1.00 51.44 H new ATOM 0 HG13 VAL A 98 -1.890 2.864 -8.936 1.00 51.44 H new ATOM 0 HG21 VAL A 98 -3.946 4.623 -10.378 1.00 72.32 H new ATOM 0 HG22 VAL A 98 -4.330 3.003 -9.750 1.00 72.32 H new ATOM 0 HG23 VAL A 98 -5.311 4.404 -9.258 1.00 72.32 H new ATOM 1588 N PHE A 99 -2.103 3.053 -5.433 1.00 53.41 N ATOM 1589 CA PHE A 99 -1.231 3.316 -4.287 1.00 43.43 C ATOM 1590 C PHE A 99 0.220 3.000 -4.625 1.00 54.24 C ATOM 1591 O PHE A 99 0.514 1.951 -5.205 1.00 52.42 O ATOM 1592 CB PHE A 99 -1.665 2.484 -3.076 1.00 34.44 C ATOM 1593 CG PHE A 99 -2.973 2.908 -2.470 1.00 35.13 C ATOM 1594 CD1 PHE A 99 -3.019 3.884 -1.487 1.00 2.50 C ATOM 1595 CD2 PHE A 99 -4.154 2.318 -2.880 1.00 32.20 C ATOM 1596 CE1 PHE A 99 -4.224 4.263 -0.927 1.00 43.45 C ATOM 1597 CE2 PHE A 99 -5.362 2.693 -2.325 1.00 71.30 C ATOM 1598 CZ PHE A 99 -5.397 3.666 -1.347 1.00 42.42 C ATOM 0 H PHE A 99 -1.950 2.147 -5.875 1.00 53.41 H new ATOM 0 HA PHE A 99 -1.315 4.375 -4.043 1.00 43.43 H new ATOM 0 HB2 PHE A 99 -1.739 1.439 -3.376 1.00 34.44 H new ATOM 0 HB3 PHE A 99 -0.889 2.542 -2.313 1.00 34.44 H new ATOM 0 HD1 PHE A 99 -2.104 4.353 -1.156 1.00 2.50 H new ATOM 0 HD2 PHE A 99 -4.132 1.555 -3.644 1.00 32.20 H new ATOM 0 HE1 PHE A 99 -4.249 5.025 -0.162 1.00 43.45 H new ATOM 0 HE2 PHE A 99 -6.278 2.226 -2.656 1.00 71.30 H new ATOM 0 HZ PHE A 99 -6.340 3.960 -0.911 1.00 42.42 H new ATOM 1608 N ASP A 100 1.116 3.921 -4.266 1.00 61.54 N ATOM 1609 CA ASP A 100 2.546 3.751 -4.509 1.00 40.34 C ATOM 1610 C ASP A 100 3.299 3.676 -3.176 1.00 51.50 C ATOM 1611 O ASP A 100 3.510 4.698 -2.509 1.00 33.42 O ATOM 1612 CB ASP A 100 3.078 4.902 -5.381 1.00 33.13 C ATOM 1613 CG ASP A 100 4.403 4.578 -6.052 1.00 31.24 C ATOM 1614 OD1 ASP A 100 4.393 4.230 -7.251 1.00 54.54 O ATOM 1615 OD2 ASP A 100 5.449 4.672 -5.375 1.00 62.02 O ATOM 0 H ASP A 100 0.872 4.797 -3.803 1.00 61.54 H new ATOM 0 HA ASP A 100 2.709 2.817 -5.047 1.00 40.34 H new ATOM 0 HB2 ASP A 100 2.339 5.142 -6.146 1.00 33.13 H new ATOM 0 HB3 ASP A 100 3.198 5.792 -4.764 1.00 33.13 H new ATOM 1620 N VAL A 101 3.682 2.454 -2.786 1.00 2.04 N ATOM 1621 CA VAL A 101 4.411 2.239 -1.533 1.00 60.42 C ATOM 1622 C VAL A 101 5.889 1.962 -1.798 1.00 12.12 C ATOM 1623 O VAL A 101 6.256 1.463 -2.867 1.00 50.32 O ATOM 1624 CB VAL A 101 3.802 1.094 -0.656 1.00 11.15 C ATOM 1625 CG1 VAL A 101 2.344 1.379 -0.314 1.00 31.41 C ATOM 1626 CG2 VAL A 101 3.925 -0.281 -1.315 1.00 41.23 C ATOM 0 H VAL A 101 3.500 1.603 -3.318 1.00 2.04 H new ATOM 0 HA VAL A 101 4.312 3.165 -0.967 1.00 60.42 H new ATOM 0 HB VAL A 101 4.386 1.071 0.264 1.00 11.15 H new ATOM 0 HG11 VAL A 101 1.948 0.567 0.296 1.00 31.41 H new ATOM 0 HG12 VAL A 101 2.277 2.315 0.240 1.00 31.41 H new ATOM 0 HG13 VAL A 101 1.764 1.459 -1.233 1.00 31.41 H new ATOM 0 HG21 VAL A 101 3.487 -1.037 -0.664 1.00 41.23 H new ATOM 0 HG22 VAL A 101 3.399 -0.275 -2.270 1.00 41.23 H new ATOM 0 HG23 VAL A 101 4.977 -0.512 -1.482 1.00 41.23 H new ATOM 1636 N GLU A 102 6.719 2.292 -0.813 1.00 33.11 N ATOM 1637 CA GLU A 102 8.163 2.080 -0.906 1.00 1.22 C ATOM 1638 C GLU A 102 8.676 1.366 0.341 1.00 51.22 C ATOM 1639 O GLU A 102 8.456 1.830 1.463 1.00 12.21 O ATOM 1640 CB GLU A 102 8.917 3.411 -1.132 1.00 41.11 C ATOM 1641 CG GLU A 102 8.576 4.531 -0.149 1.00 34.12 C ATOM 1642 CD GLU A 102 9.357 5.802 -0.419 1.00 72.23 C ATOM 1643 OE1 GLU A 102 10.460 5.953 0.146 1.00 62.13 O ATOM 1644 OE2 GLU A 102 8.865 6.647 -1.197 1.00 41.33 O ATOM 0 H GLU A 102 6.415 2.711 0.066 1.00 33.11 H new ATOM 0 HA GLU A 102 8.356 1.446 -1.772 1.00 1.22 H new ATOM 0 HB2 GLU A 102 9.988 3.216 -1.078 1.00 41.11 H new ATOM 0 HB3 GLU A 102 8.707 3.761 -2.143 1.00 41.11 H new ATOM 0 HG2 GLU A 102 7.509 4.746 -0.205 1.00 34.12 H new ATOM 0 HG3 GLU A 102 8.780 4.192 0.867 1.00 34.12 H new ATOM 1651 N LEU A 103 9.374 0.245 0.126 1.00 24.24 N ATOM 1652 CA LEU A 103 9.931 -0.567 1.214 1.00 4.34 C ATOM 1653 C LEU A 103 11.141 0.140 1.847 1.00 3.51 C ATOM 1654 O LEU A 103 12.236 0.156 1.272 1.00 64.00 O ATOM 1655 CB LEU A 103 10.345 -1.948 0.655 1.00 3.14 C ATOM 1656 CG LEU A 103 9.884 -3.227 1.406 1.00 43.24 C ATOM 1657 CD1 LEU A 103 10.314 -3.239 2.870 1.00 32.51 C ATOM 1658 CD2 LEU A 103 8.378 -3.431 1.291 1.00 21.32 C ATOM 0 H LEU A 103 9.568 -0.124 -0.805 1.00 24.24 H new ATOM 0 HA LEU A 103 9.175 -0.701 1.988 1.00 4.34 H new ATOM 0 HB2 LEU A 103 9.975 -2.014 -0.368 1.00 3.14 H new ATOM 0 HB3 LEU A 103 11.434 -1.970 0.602 1.00 3.14 H new ATOM 0 HG LEU A 103 10.385 -4.062 0.916 1.00 43.24 H new ATOM 0 HD11 LEU A 103 9.964 -4.156 3.344 1.00 32.51 H new ATOM 0 HD12 LEU A 103 11.401 -3.191 2.930 1.00 32.51 H new ATOM 0 HD13 LEU A 103 9.884 -2.379 3.383 1.00 32.51 H new ATOM 0 HD21 LEU A 103 8.091 -4.335 1.828 1.00 21.32 H new ATOM 0 HD22 LEU A 103 7.861 -2.574 1.722 1.00 21.32 H new ATOM 0 HD23 LEU A 103 8.103 -3.531 0.241 1.00 21.32 H new ATOM 1670 N LEU A 104 10.921 0.751 3.019 1.00 4.14 N ATOM 1671 CA LEU A 104 11.975 1.480 3.728 1.00 44.13 C ATOM 1672 C LEU A 104 12.731 0.564 4.696 1.00 0.54 C ATOM 1673 O LEU A 104 13.949 0.406 4.580 1.00 14.41 O ATOM 1674 CB LEU A 104 11.371 2.686 4.478 1.00 71.51 C ATOM 1675 CG LEU A 104 10.449 3.593 3.644 1.00 54.14 C ATOM 1676 CD1 LEU A 104 9.471 4.338 4.539 1.00 73.51 C ATOM 1677 CD2 LEU A 104 11.261 4.578 2.814 1.00 62.23 C ATOM 0 H LEU A 104 10.019 0.753 3.495 1.00 4.14 H new ATOM 0 HA LEU A 104 12.692 1.845 2.992 1.00 44.13 H new ATOM 0 HB2 LEU A 104 10.808 2.314 5.334 1.00 71.51 H new ATOM 0 HB3 LEU A 104 12.187 3.292 4.872 1.00 71.51 H new ATOM 0 HG LEU A 104 9.881 2.958 2.964 1.00 54.14 H new ATOM 0 HD11 LEU A 104 8.830 4.973 3.928 1.00 73.51 H new ATOM 0 HD12 LEU A 104 8.858 3.621 5.084 1.00 73.51 H new ATOM 0 HD13 LEU A 104 10.024 4.955 5.247 1.00 73.51 H new ATOM 0 HD21 LEU A 104 10.586 5.208 2.234 1.00 62.23 H new ATOM 0 HD22 LEU A 104 11.861 5.203 3.475 1.00 62.23 H new ATOM 0 HD23 LEU A 104 11.917 4.030 2.138 1.00 62.23 H new HETATM 1689 N MLY A 105 11.996 -0.035 5.651 1.00 1.45 N HETATM 1690 CA MLY A 105 12.577 -0.942 6.653 1.00 43.20 C HETATM 1691 CB MLY A 105 13.409 -0.158 7.704 1.00 74.32 C HETATM 1692 CG MLY A 105 12.622 0.858 8.534 1.00 22.12 C HETATM 1693 CD MLY A 105 13.541 1.785 9.322 1.00 71.52 C HETATM 1694 CE MLY A 105 13.531 1.448 10.807 1.00 2.14 C HETATM 1695 NZ MLY A 105 14.577 2.219 11.502 1.00 24.33 N HETATM 1696 CH1 MLY A 105 15.530 1.296 12.138 1.00 41.55 C HETATM 1697 CH2 MLY A 105 13.960 3.070 12.532 1.00 22.51 C HETATM 1698 C MLY A 105 11.480 -1.783 7.326 1.00 74.02 C HETATM 1699 O MLY A 105 10.287 -1.557 7.098 1.00 23.23 O HETATM 0 HH23 MLY A 105 13.256 3.757 12.063 1.00 22.51 H new HETATM 0 HH22 MLY A 105 13.432 2.445 13.252 1.00 22.51 H new HETATM 0 HH21 MLY A 105 14.735 3.640 13.045 1.00 22.51 H new HETATM 0 HH13 MLY A 105 15.004 0.669 12.858 1.00 41.55 H new HETATM 0 HH12 MLY A 105 15.990 0.666 11.376 1.00 41.55 H new HETATM 0 HH11 MLY A 105 16.303 1.868 12.652 1.00 41.55 H new HETATM 0 HG3 MLY A 105 11.987 1.451 7.875 1.00 22.12 H new HETATM 0 HG2 MLY A 105 11.962 0.330 9.223 1.00 22.12 H new HETATM 0 HE3 MLY A 105 12.554 1.676 11.234 1.00 2.14 H new HETATM 0 HE2 MLY A 105 13.699 0.380 10.948 1.00 2.14 H new HETATM 0 HD3 MLY A 105 14.557 1.706 8.936 1.00 71.52 H new HETATM 0 HD2 MLY A 105 13.226 2.819 9.180 1.00 71.52 H new HETATM 0 HB3 MLY A 105 13.875 -0.873 8.382 1.00 74.32 H new HETATM 0 HB2 MLY A 105 14.215 0.365 7.189 1.00 74.32 H new HETATM 0 HA MLY A 105 13.256 -1.623 6.139 1.00 43.20 H new ATOM 1716 N LEU A 106 11.900 -2.745 8.153 1.00 51.44 N ATOM 1717 CA LEU A 106 10.968 -3.623 8.866 1.00 50.34 C ATOM 1718 C LEU A 106 11.247 -3.601 10.365 1.00 15.14 C ATOM 1719 O LEU A 106 12.404 -3.499 10.785 1.00 24.35 O ATOM 1720 CB LEU A 106 11.065 -5.067 8.341 1.00 64.41 C ATOM 1721 CG LEU A 106 10.987 -5.242 6.813 1.00 43.31 C ATOM 1722 CD1 LEU A 106 11.610 -6.566 6.401 1.00 23.33 C ATOM 1723 CD2 LEU A 106 9.545 -5.165 6.325 1.00 3.23 C ATOM 0 H LEU A 106 12.883 -2.936 8.346 1.00 51.44 H new ATOM 0 HA LEU A 106 9.959 -3.252 8.688 1.00 50.34 H new ATOM 0 HB2 LEU A 106 12.006 -5.495 8.687 1.00 64.41 H new ATOM 0 HB3 LEU A 106 10.264 -5.651 8.794 1.00 64.41 H new ATOM 0 HG LEU A 106 11.546 -4.428 6.351 1.00 43.31 H new ATOM 0 HD11 LEU A 106 11.548 -6.676 5.318 1.00 23.33 H new ATOM 0 HD12 LEU A 106 12.656 -6.587 6.708 1.00 23.33 H new ATOM 0 HD13 LEU A 106 11.074 -7.385 6.880 1.00 23.33 H new ATOM 0 HD21 LEU A 106 9.520 -5.292 5.243 1.00 3.23 H new ATOM 0 HD22 LEU A 106 8.959 -5.954 6.796 1.00 3.23 H new ATOM 0 HD23 LEU A 106 9.124 -4.194 6.586 1.00 3.23 H new ATOM 1735 N GLU A 107 10.178 -3.697 11.163 1.00 12.24 N ATOM 1736 CA GLU A 107 10.294 -3.689 12.623 1.00 25.05 C ATOM 1737 C GLU A 107 9.580 -4.893 13.229 1.00 14.04 C ATOM 1738 O GLU A 107 10.213 -5.878 13.607 1.00 15.01 O ATOM 1739 CB GLU A 107 9.719 -2.395 13.212 1.00 65.53 C ATOM 1740 CG GLU A 107 10.508 -1.144 12.854 1.00 41.44 C ATOM 1741 CD GLU A 107 10.051 0.075 13.633 1.00 62.30 C ATOM 1742 OE1 GLU A 107 8.974 0.619 13.308 1.00 0.45 O ATOM 1743 OE2 GLU A 107 10.770 0.485 14.568 1.00 25.40 O ATOM 0 H GLU A 107 9.221 -3.781 10.820 1.00 12.24 H new ATOM 0 HA GLU A 107 11.354 -3.745 12.871 1.00 25.05 H new ATOM 0 HB2 GLU A 107 8.693 -2.276 12.865 1.00 65.53 H new ATOM 0 HB3 GLU A 107 9.680 -2.489 14.297 1.00 65.53 H new ATOM 0 HG2 GLU A 107 11.566 -1.319 13.047 1.00 41.44 H new ATOM 0 HG3 GLU A 107 10.407 -0.948 11.787 1.00 41.44 H new TER 1750 GLU A 107