USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1087 hydrogens (9 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: B 512 PTR HN2 : B 512 PTR N : B 511 GLN C :(H bumps) USER MOD NoAdj-H: B 512 PTR H : B 512 PTR N : B 511 GLN C :(H bumps) USER MOD Set 1.1: B 501 MET CE :methyl 170:sc= -0.628 (180deg=-0.777) USER MOD Set 1.2: B 502 THR OG1 : rot 27:sc= -0.156 USER MOD Set 2.1: A 99 ASN : amide:sc= -0.116 K(o=-6.2,f=-7.1) USER MOD Set 2.2: A 102 GLN : amide:sc= -6.11! C(o=-6.2!,f=-10!) USER MOD Set 3.1: A 76 SER OG : rot 145:sc= 1.22 USER MOD Set 3.2: A 80 CYS SG : rot -169:sc= 1.87 USER MOD Set 4.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 58 HIS : no HD1:sc= -4.05! C(o=-4.1!,f=-11!) USER MOD Set 5.1: A 22 LYS NZ :NH3+ 173:sc= 0.134 (180deg=0.104) USER MOD Set 5.2: A 35 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 16 ASN : amide:sc= -0.915 K(o=-0.99,f=-1.7) USER MOD Set 6.2: A 17 HIS :FLIP no HD1:sc= -0.0708 F(o=-1.8,f=-0.99) USER MOD Set 7.1: A 8 SER OG : rot 180:sc= -0.0874 USER MOD Set 7.2: A 9 HIS : no HD1:sc= -0.623 X(o=-0.71,f=-0.33) USER MOD Single : A 10 MET CE :methyl 170:sc= -0.0116 (180deg=-0.221) USER MOD Single : A 12 THR OG1 : rot 36:sc= -2.37! USER MOD Single : A 19 ASN : amide:sc= -1.17 K(o=-1.2,f=-9.6!) USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= 0.364 (180deg=-0.323) USER MOD Single : A 25 ASN : amide:sc= -1.33 K(o=-1.3,f=-4.5!) USER MOD Single : A 31 ASN : amide:sc= -0.0849 K(o=-0.085,f=-4!) USER MOD Single : A 38 MET CE :methyl 160:sc= -11.6! (180deg=-14.3!) USER MOD Single : A 41 THR OG1 : rot -74:sc= 1.23 USER MOD Single : A 48 TYR OH : rot 32:sc= 1.22 USER MOD Single : A 49 THR OG1 : rot -82:sc= -2.02! USER MOD Single : A 51 LYS NZ :NH3+ 138:sc= 0.87 (180deg=-0.835) USER MOD Single : A 54 SER OG : rot 41:sc= 0.365 USER MOD Single : A 56 LYS NZ :NH3+ -149:sc= -0.412 (180deg=-1.49!) USER MOD Single : A 59 TYR OH : rot 70:sc= -2.05! USER MOD Single : A 61 CYS SG : rot 180:sc= 0.748 USER MOD Single : A 65 TYR OH : rot -88:sc= 1.06 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -2.55! C(o=-2.5!,f=-3.4!) USER MOD Single : A 73 SER OG : rot 59:sc= -4.15! USER MOD Single : A 81 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.26) USER MOD Single : A 82 THR OG1 : rot -46:sc= 1.12 USER MOD Single : A 84 GLN : amide:sc= -0.307 X(o=-0.31,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -161:sc= 0.446 (180deg=-0.456) USER MOD Single : A 91 CYS SG : rot 68:sc= -5.3! USER MOD Single : A 100 MET CE :methyl -154:sc= -7.6! (180deg=-8.25!) USER MOD Single : A 105 MET CE :methyl -118:sc= -4.51! (180deg=-9.24!) USER MOD Single : A 106 GLN : amide:sc= -2.72! C(o=-2.7!,f=-3!) USER MOD Single : A 107 ASN : amide:sc= -1.64! C(o=-1.6!,f=-3.9!) USER MOD Single : A 108 ASN :FLIP amide:sc= -1.14 F(o=-1.8!,f=-1.1) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN :FLIP amide:sc= -0.0207 F(o=-1,f=-0.021) USER MOD Single : A 121 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 122 ASN : amide:sc= 0.575 K(o=0.58,f=-5.3!) USER MOD Single : B 503 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 509 ASN :FLIP amide:sc= -4.2! C(o=-4.8!,f=-4.2!) USER MOD Single : B 511 GLN : amide:sc= -2.43 K(o=-2.4,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 8 7.931 11.308 -8.383 1.00 0.00 N ATOM 2 CA SER A 8 9.007 11.855 -7.534 1.00 0.00 C ATOM 3 C SER A 8 8.408 12.484 -6.281 1.00 0.00 C ATOM 4 O SER A 8 7.189 12.464 -6.089 1.00 0.00 O ATOM 5 CB SER A 8 9.797 12.902 -8.329 1.00 0.00 C ATOM 6 OG SER A 8 10.967 13.318 -7.641 1.00 0.00 O ATOM 0 HA SER A 8 9.680 11.052 -7.233 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.074 12.488 -9.299 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.162 13.767 -8.521 1.00 0.00 H new ATOM 0 HG SER A 8 11.444 13.984 -8.179 1.00 0.00 H new ATOM 14 N HIS A 9 9.266 13.039 -5.432 1.00 0.00 N ATOM 15 CA HIS A 9 8.831 13.709 -4.209 1.00 0.00 C ATOM 16 C HIS A 9 8.197 15.067 -4.516 1.00 0.00 C ATOM 17 O HIS A 9 8.564 16.089 -3.941 1.00 0.00 O ATOM 18 CB HIS A 9 9.990 13.857 -3.220 1.00 0.00 C ATOM 19 CG HIS A 9 11.206 14.549 -3.764 1.00 0.00 C ATOM 20 ND1 HIS A 9 11.499 15.870 -3.509 1.00 0.00 N ATOM 21 CD2 HIS A 9 12.219 14.088 -4.533 1.00 0.00 C ATOM 22 CE1 HIS A 9 12.634 16.187 -4.096 1.00 0.00 C ATOM 23 NE2 HIS A 9 13.095 15.124 -4.724 1.00 0.00 N ATOM 0 H HIS A 9 10.277 13.038 -5.569 1.00 0.00 H new ATOM 0 HA HIS A 9 8.069 13.084 -3.743 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.636 14.409 -2.349 1.00 0.00 H new ATOM 0 HB3 HIS A 9 10.280 12.865 -2.873 1.00 0.00 H new ATOM 0 HD2 HIS A 9 12.319 13.087 -4.925 1.00 0.00 H new ATOM 0 HE1 HIS A 9 13.108 17.157 -4.068 1.00 0.00 H new ATOM 0 HE2 HIS A 9 13.960 15.080 -5.263 1.00 0.00 H new ATOM 32 N MET A 10 7.244 15.054 -5.432 1.00 0.00 N ATOM 33 CA MET A 10 6.521 16.251 -5.825 1.00 0.00 C ATOM 34 C MET A 10 5.071 16.130 -5.385 1.00 0.00 C ATOM 35 O MET A 10 4.533 17.004 -4.710 1.00 0.00 O ATOM 36 CB MET A 10 6.589 16.432 -7.344 1.00 0.00 C ATOM 37 CG MET A 10 8.005 16.557 -7.886 1.00 0.00 C ATOM 38 SD MET A 10 8.082 16.409 -9.684 1.00 0.00 S ATOM 39 CE MET A 10 7.050 17.782 -10.194 1.00 0.00 C ATOM 0 H MET A 10 6.949 14.211 -5.925 1.00 0.00 H new ATOM 0 HA MET A 10 6.976 17.119 -5.348 1.00 0.00 H new ATOM 0 HB2 MET A 10 6.100 15.584 -7.824 1.00 0.00 H new ATOM 0 HB3 MET A 10 6.025 17.323 -7.620 1.00 0.00 H new ATOM 0 HG2 MET A 10 8.420 17.520 -7.587 1.00 0.00 H new ATOM 0 HG3 MET A 10 8.631 15.787 -7.436 1.00 0.00 H new ATOM 0 HE1 MET A 10 7.144 17.928 -11.270 1.00 0.00 H new ATOM 0 HE2 MET A 10 6.010 17.567 -9.946 1.00 0.00 H new ATOM 0 HE3 MET A 10 7.367 18.687 -9.676 1.00 0.00 H new ATOM 49 N ASP A 11 4.449 15.022 -5.766 1.00 0.00 N ATOM 50 CA ASP A 11 3.061 14.758 -5.411 1.00 0.00 C ATOM 51 C ASP A 11 2.985 14.023 -4.078 1.00 0.00 C ATOM 52 O ASP A 11 1.919 13.913 -3.475 1.00 0.00 O ATOM 53 CB ASP A 11 2.381 13.957 -6.522 1.00 0.00 C ATOM 54 CG ASP A 11 0.904 13.724 -6.270 1.00 0.00 C ATOM 55 OD1 ASP A 11 0.167 14.714 -6.057 1.00 0.00 O ATOM 56 OD2 ASP A 11 0.471 12.553 -6.315 1.00 0.00 O ATOM 0 H ASP A 11 4.886 14.288 -6.324 1.00 0.00 H new ATOM 0 HA ASP A 11 2.534 15.706 -5.301 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.503 14.484 -7.468 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.882 12.994 -6.626 1.00 0.00 H new ATOM 61 N THR A 12 4.130 13.532 -3.617 1.00 0.00 N ATOM 62 CA THR A 12 4.221 12.972 -2.281 1.00 0.00 C ATOM 63 C THR A 12 4.117 14.112 -1.290 1.00 0.00 C ATOM 64 O THR A 12 4.911 15.050 -1.334 1.00 0.00 O ATOM 65 CB THR A 12 5.534 12.192 -2.070 1.00 0.00 C ATOM 66 OG1 THR A 12 6.671 13.030 -2.324 1.00 0.00 O ATOM 67 CG2 THR A 12 5.585 10.981 -2.974 1.00 0.00 C ATOM 0 H THR A 12 5.001 13.512 -4.148 1.00 0.00 H new ATOM 0 HA THR A 12 3.409 12.259 -2.136 1.00 0.00 H new ATOM 0 HB THR A 12 5.563 11.863 -1.031 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.478 13.943 -2.024 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.519 10.444 -2.810 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.745 10.324 -2.750 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.528 11.301 -4.014 1.00 0.00 H new ATOM 75 N VAL A 13 3.123 14.058 -0.431 1.00 0.00 N ATOM 76 CA VAL A 13 2.732 15.215 0.326 1.00 0.00 C ATOM 77 C VAL A 13 2.753 14.989 1.833 1.00 0.00 C ATOM 78 O VAL A 13 2.788 13.854 2.304 1.00 0.00 O ATOM 79 CB VAL A 13 1.349 15.669 -0.139 1.00 0.00 C ATOM 80 CG1 VAL A 13 1.475 16.545 -1.373 1.00 0.00 C ATOM 81 CG2 VAL A 13 0.473 14.476 -0.436 1.00 0.00 C ATOM 0 H VAL A 13 2.573 13.220 -0.243 1.00 0.00 H new ATOM 0 HA VAL A 13 3.469 15.996 0.138 1.00 0.00 H new ATOM 0 HB VAL A 13 0.887 16.248 0.660 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.484 16.863 -1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.078 17.422 -1.137 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.953 15.980 -2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.508 14.818 -0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.931 13.875 -1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.363 13.872 0.465 1.00 0.00 H new ATOM 91 N PRO A 14 2.748 16.104 2.587 1.00 0.00 N ATOM 92 CA PRO A 14 2.871 16.122 4.055 1.00 0.00 C ATOM 93 C PRO A 14 1.973 15.121 4.790 1.00 0.00 C ATOM 94 O PRO A 14 2.462 14.174 5.414 1.00 0.00 O ATOM 95 CB PRO A 14 2.457 17.549 4.421 1.00 0.00 C ATOM 96 CG PRO A 14 2.749 18.368 3.210 1.00 0.00 C ATOM 97 CD PRO A 14 2.642 17.464 2.028 1.00 0.00 C ATOM 0 HA PRO A 14 3.880 15.835 4.353 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.400 17.597 4.682 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.015 17.911 5.284 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.044 19.195 3.126 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.746 18.804 3.272 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.696 17.605 1.506 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.436 17.659 1.307 1.00 0.00 H new ATOM 105 N ASP A 15 0.664 15.342 4.733 1.00 0.00 N ATOM 106 CA ASP A 15 -0.282 14.527 5.495 1.00 0.00 C ATOM 107 C ASP A 15 -1.629 14.449 4.791 1.00 0.00 C ATOM 108 O ASP A 15 -2.353 13.475 4.940 1.00 0.00 O ATOM 109 CB ASP A 15 -0.486 15.100 6.901 1.00 0.00 C ATOM 110 CG ASP A 15 -1.324 16.363 6.894 1.00 0.00 C ATOM 111 OD1 ASP A 15 -0.779 17.439 6.582 1.00 0.00 O ATOM 112 OD2 ASP A 15 -2.540 16.278 7.181 1.00 0.00 O ATOM 0 H ASP A 15 0.233 16.075 4.170 1.00 0.00 H new ATOM 0 HA ASP A 15 0.141 13.525 5.570 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.968 14.351 7.529 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.485 15.314 7.348 1.00 0.00 H new ATOM 117 N ASN A 16 -1.972 15.487 4.045 1.00 0.00 N ATOM 118 CA ASN A 16 -3.215 15.503 3.287 1.00 0.00 C ATOM 119 C ASN A 16 -2.916 15.784 1.818 1.00 0.00 C ATOM 120 O ASN A 16 -1.861 15.393 1.326 1.00 0.00 O ATOM 121 CB ASN A 16 -4.195 16.536 3.873 1.00 0.00 C ATOM 122 CG ASN A 16 -3.664 17.959 3.855 1.00 0.00 C ATOM 123 OD1 ASN A 16 -3.889 18.709 2.907 1.00 0.00 O ATOM 124 ND2 ASN A 16 -2.960 18.341 4.904 1.00 0.00 N ATOM 0 H ASN A 16 -1.407 16.331 3.947 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.693 14.526 3.359 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -5.128 16.498 3.311 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -4.431 16.258 4.900 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.582 19.287 4.947 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.794 17.690 5.672 1.00 0.00 H new ATOM 131 N HIS A 17 -3.837 16.457 1.131 1.00 0.00 N ATOM 132 CA HIS A 17 -3.707 16.762 -0.297 1.00 0.00 C ATOM 133 C HIS A 17 -3.910 15.499 -1.127 1.00 0.00 C ATOM 134 O HIS A 17 -5.013 15.210 -1.588 1.00 0.00 O ATOM 135 CB HIS A 17 -2.357 17.388 -0.660 1.00 0.00 C ATOM 136 CG HIS A 17 -1.891 18.497 0.230 1.00 0.00 C ATOM 137 ND1 HIS A 17 -0.877 18.527 1.129 1.00 0.00 N flip ATOM 138 CD2 HIS A 17 -2.459 19.748 0.249 1.00 0.00 C flip ATOM 139 CE1 HIS A 17 -0.848 19.791 1.669 1.00 0.00 C flip ATOM 140 NE2 HIS A 17 -1.815 20.506 1.118 1.00 0.00 N flip ATOM 0 H HIS A 17 -4.699 16.809 1.549 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.480 17.497 -0.523 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.601 16.603 -0.656 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -2.417 17.767 -1.680 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.300 20.062 -0.352 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -0.153 20.141 2.417 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -2.028 21.481 1.329 1.00 0.00 H new ATOM 149 N ARG A 18 -2.835 14.752 -1.303 1.00 0.00 N ATOM 150 CA ARG A 18 -2.860 13.534 -2.093 1.00 0.00 C ATOM 151 C ARG A 18 -2.773 12.299 -1.209 1.00 0.00 C ATOM 152 O ARG A 18 -3.533 11.360 -1.361 1.00 0.00 O ATOM 153 CB ARG A 18 -1.691 13.514 -3.076 1.00 0.00 C ATOM 154 CG ARG A 18 -1.754 12.339 -4.033 1.00 0.00 C ATOM 155 CD ARG A 18 -2.483 12.683 -5.317 1.00 0.00 C ATOM 156 NE ARG A 18 -3.607 13.595 -5.119 1.00 0.00 N ATOM 157 CZ ARG A 18 -3.578 14.881 -5.467 1.00 0.00 C ATOM 158 NH1 ARG A 18 -2.473 15.415 -5.971 1.00 0.00 N ATOM 159 NH2 ARG A 18 -4.651 15.634 -5.296 1.00 0.00 N ATOM 0 H ARG A 18 -1.922 14.972 -0.904 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.805 13.518 -2.635 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.685 14.443 -3.647 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.754 13.475 -2.520 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.742 12.010 -4.269 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.255 11.503 -3.546 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.779 13.133 -6.017 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.847 11.764 -5.777 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.458 13.228 -4.692 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.639 14.841 -6.094 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.457 16.400 -6.235 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.499 15.230 -4.898 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.631 16.619 -5.562 1.00 0.00 H new ATOM 173 N ASN A 19 -1.854 12.322 -0.267 1.00 0.00 N ATOM 174 CA ASN A 19 -1.365 11.091 0.333 1.00 0.00 C ATOM 175 C ASN A 19 -2.378 10.441 1.278 1.00 0.00 C ATOM 176 O ASN A 19 -2.478 9.213 1.334 1.00 0.00 O ATOM 177 CB ASN A 19 -0.032 11.357 1.046 1.00 0.00 C ATOM 178 CG ASN A 19 -0.204 11.981 2.414 1.00 0.00 C ATOM 179 OD1 ASN A 19 -0.303 13.198 2.537 1.00 0.00 O ATOM 180 ND2 ASN A 19 -0.221 11.152 3.444 1.00 0.00 N ATOM 0 H ASN A 19 -1.430 13.174 0.101 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.209 10.374 -0.473 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.512 10.418 1.147 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.579 12.015 0.428 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.320 11.517 4.391 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.135 10.147 3.291 1.00 0.00 H new ATOM 187 N LYS A 20 -3.117 11.245 2.027 1.00 0.00 N ATOM 188 CA LYS A 20 -4.156 10.711 2.889 1.00 0.00 C ATOM 189 C LYS A 20 -5.388 10.402 2.048 1.00 0.00 C ATOM 190 O LYS A 20 -6.086 11.317 1.613 1.00 0.00 O ATOM 191 CB LYS A 20 -4.505 11.738 3.974 1.00 0.00 C ATOM 192 CG LYS A 20 -5.510 11.245 5.001 1.00 0.00 C ATOM 193 CD LYS A 20 -4.897 10.264 5.972 1.00 0.00 C ATOM 194 CE LYS A 20 -4.408 10.913 7.252 1.00 0.00 C ATOM 195 NZ LYS A 20 -3.412 11.991 7.017 1.00 0.00 N ATOM 0 H LYS A 20 -3.017 12.260 2.055 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.805 9.798 3.369 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.590 12.030 4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.901 12.634 3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.912 12.096 5.551 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.348 10.772 4.489 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.634 9.499 6.219 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.062 9.758 5.488 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.260 11.326 7.791 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.965 10.150 7.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.919 12.208 7.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.721 11.676 6.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.898 12.844 6.674 1.00 0.00 H new ATOM 209 N PHE A 21 -5.642 9.123 1.802 1.00 0.00 N ATOM 210 CA PHE A 21 -6.838 8.719 1.068 1.00 0.00 C ATOM 211 C PHE A 21 -7.778 7.909 1.934 1.00 0.00 C ATOM 212 O PHE A 21 -7.396 6.880 2.469 1.00 0.00 O ATOM 213 CB PHE A 21 -6.460 7.900 -0.168 1.00 0.00 C ATOM 214 CG PHE A 21 -5.996 8.721 -1.330 1.00 0.00 C ATOM 215 CD1 PHE A 21 -6.473 10.006 -1.545 1.00 0.00 C ATOM 216 CD2 PHE A 21 -5.068 8.206 -2.205 1.00 0.00 C ATOM 217 CE1 PHE A 21 -6.020 10.751 -2.615 1.00 0.00 C ATOM 218 CE2 PHE A 21 -4.612 8.937 -3.259 1.00 0.00 C ATOM 219 CZ PHE A 21 -5.083 10.213 -3.472 1.00 0.00 C ATOM 0 H PHE A 21 -5.043 8.352 2.096 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.349 9.631 0.761 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.673 7.197 0.103 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.323 7.309 -0.476 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.204 10.426 -0.870 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.695 7.204 -2.053 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.397 11.749 -2.780 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.879 8.515 -3.930 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.719 10.791 -4.308 1.00 0.00 H new ATOM 229 N LYS A 22 -8.998 8.383 2.083 1.00 0.00 N ATOM 230 CA LYS A 22 -10.034 7.592 2.722 1.00 0.00 C ATOM 231 C LYS A 22 -10.398 6.402 1.844 1.00 0.00 C ATOM 232 O LYS A 22 -11.043 6.552 0.806 1.00 0.00 O ATOM 233 CB LYS A 22 -11.273 8.437 2.995 1.00 0.00 C ATOM 234 CG LYS A 22 -11.367 8.962 4.411 1.00 0.00 C ATOM 235 CD LYS A 22 -11.508 7.838 5.429 1.00 0.00 C ATOM 236 CE LYS A 22 -12.874 7.186 5.390 1.00 0.00 C ATOM 237 NZ LYS A 22 -12.945 6.028 6.319 1.00 0.00 N ATOM 0 H LYS A 22 -9.297 9.307 1.773 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.649 7.230 3.675 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.282 9.281 2.305 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.160 7.841 2.781 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.477 9.549 4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.221 9.634 4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.744 7.084 5.240 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.326 8.233 6.429 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.636 7.917 5.658 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.093 6.855 4.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.922 5.675 6.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.318 5.271 5.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.644 6.326 7.269 1.00 0.00 H new ATOM 251 N VAL A 23 -9.961 5.227 2.258 1.00 0.00 N ATOM 252 CA VAL A 23 -10.261 4.006 1.547 1.00 0.00 C ATOM 253 C VAL A 23 -11.406 3.290 2.239 1.00 0.00 C ATOM 254 O VAL A 23 -11.999 3.795 3.189 1.00 0.00 O ATOM 255 CB VAL A 23 -9.024 3.072 1.507 1.00 0.00 C ATOM 256 CG1 VAL A 23 -7.844 3.788 0.891 1.00 0.00 C ATOM 257 CG2 VAL A 23 -8.674 2.582 2.901 1.00 0.00 C ATOM 0 H VAL A 23 -9.391 5.096 3.093 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.539 4.260 0.524 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.269 2.207 0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.983 3.119 0.870 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.093 4.091 -0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.604 4.670 1.484 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.803 1.928 2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.449 3.435 3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.518 2.030 3.315 1.00 0.00 H new ATOM 267 N ILE A 24 -11.733 2.130 1.753 1.00 0.00 N ATOM 268 CA ILE A 24 -12.658 1.276 2.443 1.00 0.00 C ATOM 269 C ILE A 24 -12.023 -0.073 2.676 1.00 0.00 C ATOM 270 O ILE A 24 -11.739 -0.778 1.733 1.00 0.00 O ATOM 271 CB ILE A 24 -13.923 1.022 1.643 1.00 0.00 C ATOM 272 CG1 ILE A 24 -14.840 2.233 1.561 1.00 0.00 C ATOM 273 CG2 ILE A 24 -14.644 -0.124 2.269 1.00 0.00 C ATOM 274 CD1 ILE A 24 -15.738 2.188 0.342 1.00 0.00 C ATOM 0 H ILE A 24 -11.372 1.750 0.878 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.911 1.785 3.373 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.632 0.798 0.617 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -15.453 2.284 2.461 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -14.238 3.141 1.534 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -15.558 -0.327 1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.006 -1.008 2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.895 0.124 3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -16.374 3.073 0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -15.126 2.165 -0.560 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -16.360 1.294 0.381 1.00 0.00 H new ATOM 286 N ASN A 25 -11.826 -0.467 3.896 1.00 0.00 N ATOM 287 CA ASN A 25 -11.321 -1.802 4.120 1.00 0.00 C ATOM 288 C ASN A 25 -12.418 -2.816 3.806 1.00 0.00 C ATOM 289 O ASN A 25 -13.466 -2.839 4.454 1.00 0.00 O ATOM 290 CB ASN A 25 -10.779 -1.931 5.546 1.00 0.00 C ATOM 291 CG ASN A 25 -10.778 -3.347 6.093 1.00 0.00 C ATOM 292 OD1 ASN A 25 -10.691 -4.322 5.355 1.00 0.00 O ATOM 293 ND2 ASN A 25 -10.866 -3.461 7.408 1.00 0.00 N ATOM 0 H ASN A 25 -11.998 0.090 4.733 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.485 -2.007 3.452 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.760 -1.545 5.570 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.375 -1.300 6.206 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.863 -4.384 7.841 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.937 -2.625 7.989 1.00 0.00 H new ATOM 300 N VAL A 26 -12.178 -3.620 2.772 1.00 0.00 N ATOM 301 CA VAL A 26 -13.175 -4.553 2.267 1.00 0.00 C ATOM 302 C VAL A 26 -12.592 -5.964 2.221 1.00 0.00 C ATOM 303 O VAL A 26 -11.495 -6.163 1.697 1.00 0.00 O ATOM 304 CB VAL A 26 -13.648 -4.134 0.857 1.00 0.00 C ATOM 305 CG1 VAL A 26 -14.493 -2.888 0.960 1.00 0.00 C ATOM 306 CG2 VAL A 26 -12.483 -3.870 -0.068 1.00 0.00 C ATOM 0 H VAL A 26 -11.293 -3.641 2.266 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.033 -4.540 2.939 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.231 -4.956 0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.827 -2.592 -0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.360 -3.087 1.590 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.903 -2.084 1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.857 -3.578 -1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.869 -3.067 0.340 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.882 -4.774 -0.163 1.00 0.00 H new ATOM 316 N ASP A 27 -13.297 -6.955 2.757 1.00 0.00 N ATOM 317 CA ASP A 27 -12.723 -8.295 2.786 1.00 0.00 C ATOM 318 C ASP A 27 -13.513 -9.302 1.973 1.00 0.00 C ATOM 319 O ASP A 27 -14.705 -9.502 2.209 1.00 0.00 O ATOM 320 CB ASP A 27 -12.594 -8.832 4.216 1.00 0.00 C ATOM 321 CG ASP A 27 -11.544 -8.128 5.047 1.00 0.00 C ATOM 322 OD1 ASP A 27 -10.343 -8.332 4.785 1.00 0.00 O ATOM 323 OD2 ASP A 27 -11.915 -7.406 5.999 1.00 0.00 O ATOM 0 H ASP A 27 -14.229 -6.864 3.162 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.736 -8.182 2.338 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -13.559 -8.741 4.715 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.356 -9.895 4.174 1.00 0.00 H new ATOM 328 N ASP A 28 -12.796 -9.948 1.040 1.00 0.00 N ATOM 329 CA ASP A 28 -13.260 -11.119 0.263 1.00 0.00 C ATOM 330 C ASP A 28 -14.636 -10.929 -0.402 1.00 0.00 C ATOM 331 O ASP A 28 -15.173 -11.842 -1.022 1.00 0.00 O ATOM 332 CB ASP A 28 -13.268 -12.357 1.169 1.00 0.00 C ATOM 333 CG ASP A 28 -13.506 -13.647 0.408 1.00 0.00 C ATOM 334 OD1 ASP A 28 -12.658 -14.019 -0.428 1.00 0.00 O ATOM 335 OD2 ASP A 28 -14.548 -14.292 0.635 1.00 0.00 O ATOM 0 H ASP A 28 -11.847 -9.665 0.794 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.556 -11.248 -0.559 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.315 -12.422 1.694 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.043 -12.241 1.927 1.00 0.00 H new ATOM 340 N ASP A 29 -15.180 -9.734 -0.306 1.00 0.00 N ATOM 341 CA ASP A 29 -16.499 -9.439 -0.844 1.00 0.00 C ATOM 342 C ASP A 29 -16.503 -8.056 -1.469 1.00 0.00 C ATOM 343 O ASP A 29 -17.457 -7.660 -2.137 1.00 0.00 O ATOM 344 CB ASP A 29 -17.555 -9.484 0.267 1.00 0.00 C ATOM 345 CG ASP A 29 -18.009 -10.886 0.633 1.00 0.00 C ATOM 346 OD1 ASP A 29 -17.189 -11.685 1.129 1.00 0.00 O ATOM 347 OD2 ASP A 29 -19.209 -11.181 0.465 1.00 0.00 O ATOM 0 H ASP A 29 -14.725 -8.940 0.145 1.00 0.00 H new ATOM 0 HA ASP A 29 -16.737 -10.189 -1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.152 -9.000 1.157 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -18.422 -8.903 -0.047 1.00 0.00 H new ATOM 352 N GLY A 30 -15.404 -7.334 -1.254 1.00 0.00 N ATOM 353 CA GLY A 30 -15.362 -5.915 -1.557 1.00 0.00 C ATOM 354 C GLY A 30 -16.337 -5.177 -0.673 1.00 0.00 C ATOM 355 O GLY A 30 -16.774 -4.072 -0.986 1.00 0.00 O ATOM 0 H GLY A 30 -14.537 -7.712 -0.872 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.354 -5.530 -1.403 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.610 -5.750 -2.605 1.00 0.00 H new ATOM 359 N ASN A 31 -16.662 -5.807 0.452 1.00 0.00 N ATOM 360 CA ASN A 31 -17.629 -5.269 1.389 1.00 0.00 C ATOM 361 C ASN A 31 -16.932 -4.380 2.382 1.00 0.00 C ATOM 362 O ASN A 31 -15.963 -4.806 3.003 1.00 0.00 O ATOM 363 CB ASN A 31 -18.341 -6.399 2.135 1.00 0.00 C ATOM 364 CG ASN A 31 -19.629 -5.946 2.803 1.00 0.00 C ATOM 365 OD1 ASN A 31 -19.782 -4.782 3.171 1.00 0.00 O ATOM 366 ND2 ASN A 31 -20.560 -6.869 2.973 1.00 0.00 N ATOM 0 H ASN A 31 -16.261 -6.701 0.734 1.00 0.00 H new ATOM 0 HA ASN A 31 -18.368 -4.693 0.832 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -18.564 -7.205 1.436 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -17.670 -6.808 2.890 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -21.443 -6.626 3.423 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -20.396 -7.824 2.654 1.00 0.00 H new ATOM 373 N GLU A 32 -17.395 -3.139 2.486 1.00 0.00 N ATOM 374 CA GLU A 32 -16.836 -2.177 3.416 1.00 0.00 C ATOM 375 C GLU A 32 -16.909 -2.685 4.865 1.00 0.00 C ATOM 376 O GLU A 32 -17.810 -2.319 5.618 1.00 0.00 O ATOM 377 CB GLU A 32 -17.603 -0.858 3.296 1.00 0.00 C ATOM 378 CG GLU A 32 -17.747 -0.385 1.860 1.00 0.00 C ATOM 379 CD GLU A 32 -19.171 -0.071 1.480 1.00 0.00 C ATOM 380 OE1 GLU A 32 -19.663 1.021 1.826 1.00 0.00 O ATOM 381 OE2 GLU A 32 -19.797 -0.915 0.815 1.00 0.00 O ATOM 0 H GLU A 32 -18.167 -2.777 1.927 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.786 -2.029 3.165 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.594 -0.979 3.734 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -17.089 -0.091 3.876 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.134 0.504 1.714 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -17.360 -1.153 1.190 1.00 0.00 H new ATOM 388 N LEU A 33 -15.960 -3.524 5.248 1.00 0.00 N ATOM 389 CA LEU A 33 -15.910 -4.097 6.588 1.00 0.00 C ATOM 390 C LEU A 33 -15.092 -3.208 7.510 1.00 0.00 C ATOM 391 O LEU A 33 -14.290 -3.676 8.318 1.00 0.00 O ATOM 392 CB LEU A 33 -15.314 -5.499 6.525 1.00 0.00 C ATOM 393 CG LEU A 33 -16.317 -6.641 6.289 1.00 0.00 C ATOM 394 CD1 LEU A 33 -17.484 -6.162 5.465 1.00 0.00 C ATOM 395 CD2 LEU A 33 -15.649 -7.791 5.565 1.00 0.00 C ATOM 0 H LEU A 33 -15.200 -3.829 4.639 1.00 0.00 H new ATOM 0 HA LEU A 33 -16.922 -4.163 6.988 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.571 -5.522 5.728 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.786 -5.691 7.459 1.00 0.00 H new ATOM 0 HG LEU A 33 -16.673 -6.977 7.263 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -18.182 -6.985 5.309 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -17.990 -5.351 5.988 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -17.125 -5.803 4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -16.373 -8.590 5.406 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -15.273 -7.445 4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.820 -8.166 6.165 1.00 0.00 H new ATOM 407 N GLY A 34 -15.303 -1.919 7.356 1.00 0.00 N ATOM 408 CA GLY A 34 -14.591 -0.936 8.136 1.00 0.00 C ATOM 409 C GLY A 34 -13.843 0.021 7.246 1.00 0.00 C ATOM 410 O GLY A 34 -12.632 -0.101 7.076 1.00 0.00 O ATOM 0 H GLY A 34 -15.969 -1.527 6.690 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.293 -0.384 8.760 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.892 -1.436 8.807 1.00 0.00 H new ATOM 414 N SER A 35 -14.563 0.966 6.651 1.00 0.00 N ATOM 415 CA SER A 35 -13.950 1.890 5.716 1.00 0.00 C ATOM 416 C SER A 35 -12.861 2.698 6.423 1.00 0.00 C ATOM 417 O SER A 35 -13.099 3.308 7.466 1.00 0.00 O ATOM 418 CB SER A 35 -15.005 2.796 5.066 1.00 0.00 C ATOM 419 OG SER A 35 -15.734 3.526 6.040 1.00 0.00 O ATOM 0 H SER A 35 -15.562 1.108 6.800 1.00 0.00 H new ATOM 0 HA SER A 35 -13.482 1.323 4.911 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.518 3.489 4.380 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.692 2.190 4.474 1.00 0.00 H new ATOM 0 HG SER A 35 -16.396 4.095 5.595 1.00 0.00 H new ATOM 425 N GLY A 36 -11.667 2.691 5.852 1.00 0.00 N ATOM 426 CA GLY A 36 -10.510 3.227 6.535 1.00 0.00 C ATOM 427 C GLY A 36 -9.884 4.393 5.797 1.00 0.00 C ATOM 428 O GLY A 36 -10.485 4.966 4.905 1.00 0.00 O ATOM 0 H GLY A 36 -11.478 2.321 4.921 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.800 3.549 7.535 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.767 2.438 6.657 1.00 0.00 H new ATOM 432 N ILE A 37 -8.700 4.767 6.214 1.00 0.00 N ATOM 433 CA ILE A 37 -7.832 5.626 5.436 1.00 0.00 C ATOM 434 C ILE A 37 -6.738 4.760 4.861 1.00 0.00 C ATOM 435 O ILE A 37 -6.528 3.669 5.326 1.00 0.00 O ATOM 436 CB ILE A 37 -7.131 6.697 6.309 1.00 0.00 C ATOM 437 CG1 ILE A 37 -8.109 7.711 6.902 1.00 0.00 C ATOM 438 CG2 ILE A 37 -6.079 7.437 5.497 1.00 0.00 C ATOM 439 CD1 ILE A 37 -8.449 8.854 5.965 1.00 0.00 C ATOM 0 H ILE A 37 -8.305 4.483 7.110 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.439 6.125 4.681 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.664 6.162 7.136 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.028 7.195 7.180 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.683 8.119 7.819 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.596 8.186 6.124 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.333 6.729 5.137 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.554 7.927 4.647 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.148 9.532 6.456 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.539 9.396 5.707 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.905 8.457 5.058 1.00 0.00 H new ATOM 451 N MET A 38 -6.049 5.248 3.879 1.00 0.00 N ATOM 452 CA MET A 38 -4.810 4.672 3.471 1.00 0.00 C ATOM 453 C MET A 38 -3.835 5.808 3.255 1.00 0.00 C ATOM 454 O MET A 38 -3.777 6.426 2.192 1.00 0.00 O ATOM 455 CB MET A 38 -4.990 3.803 2.252 1.00 0.00 C ATOM 456 CG MET A 38 -3.780 2.994 1.927 1.00 0.00 C ATOM 457 SD MET A 38 -3.385 1.840 3.232 1.00 0.00 S ATOM 458 CE MET A 38 -4.992 1.082 3.371 1.00 0.00 C ATOM 0 H MET A 38 -6.333 6.063 3.335 1.00 0.00 H new ATOM 0 HA MET A 38 -4.414 4.005 4.237 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.835 3.134 2.412 1.00 0.00 H new ATOM 0 HB3 MET A 38 -5.239 4.433 1.398 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.946 2.449 0.998 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.932 3.659 1.760 1.00 0.00 H new ATOM 0 HE1 MET A 38 -4.896 0.113 3.861 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.647 1.724 3.960 1.00 0.00 H new ATOM 0 HE3 MET A 38 -5.417 0.945 2.377 1.00 0.00 H new ATOM 468 N GLU A 39 -3.126 6.108 4.326 1.00 0.00 N ATOM 469 CA GLU A 39 -2.210 7.218 4.398 1.00 0.00 C ATOM 470 C GLU A 39 -0.916 6.827 3.711 1.00 0.00 C ATOM 471 O GLU A 39 -0.076 6.133 4.293 1.00 0.00 O ATOM 472 CB GLU A 39 -1.945 7.495 5.868 1.00 0.00 C ATOM 473 CG GLU A 39 -0.795 8.437 6.153 1.00 0.00 C ATOM 474 CD GLU A 39 -1.239 9.766 6.711 1.00 0.00 C ATOM 475 OE1 GLU A 39 -1.389 9.877 7.950 1.00 0.00 O ATOM 476 OE2 GLU A 39 -1.450 10.706 5.921 1.00 0.00 O ATOM 0 H GLU A 39 -3.176 5.569 5.190 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.620 8.103 3.912 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.850 7.909 6.311 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.749 6.547 6.370 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.113 7.964 6.859 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.235 8.605 5.233 1.00 0.00 H new ATOM 483 N LEU A 40 -0.765 7.225 2.470 1.00 0.00 N ATOM 484 CA LEU A 40 0.399 6.845 1.716 1.00 0.00 C ATOM 485 C LEU A 40 1.593 7.712 2.058 1.00 0.00 C ATOM 486 O LEU A 40 1.608 8.907 1.776 1.00 0.00 O ATOM 487 CB LEU A 40 0.103 6.920 0.233 1.00 0.00 C ATOM 488 CG LEU A 40 -0.229 5.591 -0.426 1.00 0.00 C ATOM 489 CD1 LEU A 40 -0.513 5.831 -1.877 1.00 0.00 C ATOM 490 CD2 LEU A 40 0.933 4.622 -0.280 1.00 0.00 C ATOM 0 H LEU A 40 -1.432 7.809 1.966 1.00 0.00 H new ATOM 0 HA LEU A 40 0.650 5.818 1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.732 7.603 0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.966 7.353 -0.273 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.103 5.154 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.753 4.885 -2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.358 6.513 -1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.365 6.270 -2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.679 3.675 -0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.819 5.042 -0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.135 4.453 0.778 1.00 0.00 H new ATOM 502 N THR A 41 2.588 7.109 2.683 1.00 0.00 N ATOM 503 CA THR A 41 3.811 7.815 2.989 1.00 0.00 C ATOM 504 C THR A 41 5.011 7.100 2.374 1.00 0.00 C ATOM 505 O THR A 41 4.837 6.207 1.543 1.00 0.00 O ATOM 506 CB THR A 41 4.017 7.971 4.495 1.00 0.00 C ATOM 507 OG1 THR A 41 4.193 6.693 5.119 1.00 0.00 O ATOM 508 CG2 THR A 41 2.840 8.695 5.130 1.00 0.00 C ATOM 0 H THR A 41 2.570 6.135 2.986 1.00 0.00 H new ATOM 0 HA THR A 41 3.724 8.812 2.557 1.00 0.00 H new ATOM 0 HB THR A 41 4.918 8.565 4.647 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.332 6.226 5.156 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.009 8.794 6.202 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.739 9.685 4.685 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.927 8.125 4.958 1.00 0.00 H new ATOM 516 N ASP A 42 6.215 7.496 2.792 1.00 0.00 N ATOM 517 CA ASP A 42 7.464 6.948 2.255 1.00 0.00 C ATOM 518 C ASP A 42 7.507 5.450 2.321 1.00 0.00 C ATOM 519 O ASP A 42 7.755 4.787 1.322 1.00 0.00 O ATOM 520 CB ASP A 42 8.663 7.478 3.037 1.00 0.00 C ATOM 521 CG ASP A 42 8.760 8.989 3.035 1.00 0.00 C ATOM 522 OD1 ASP A 42 7.947 9.632 3.730 1.00 0.00 O ATOM 523 OD2 ASP A 42 9.661 9.544 2.374 1.00 0.00 O ATOM 0 H ASP A 42 6.352 8.205 3.512 1.00 0.00 H new ATOM 0 HA ASP A 42 7.507 7.262 1.212 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.600 7.126 4.067 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.577 7.062 2.613 1.00 0.00 H new ATOM 528 N THR A 43 7.280 4.903 3.484 1.00 0.00 N ATOM 529 CA THR A 43 7.496 3.495 3.640 1.00 0.00 C ATOM 530 C THR A 43 6.326 2.803 4.292 1.00 0.00 C ATOM 531 O THR A 43 6.277 1.584 4.324 1.00 0.00 O ATOM 532 CB THR A 43 8.725 3.219 4.499 1.00 0.00 C ATOM 533 OG1 THR A 43 8.452 3.561 5.866 1.00 0.00 O ATOM 534 CG2 THR A 43 9.924 4.010 4.012 1.00 0.00 C ATOM 0 H THR A 43 6.954 5.396 4.315 1.00 0.00 H new ATOM 0 HA THR A 43 7.633 3.105 2.631 1.00 0.00 H new ATOM 0 HB THR A 43 8.957 2.157 4.422 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.245 3.380 6.413 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.785 3.792 4.644 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.150 3.731 2.983 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.700 5.076 4.059 1.00 0.00 H new ATOM 542 N GLU A 44 5.403 3.554 4.848 1.00 0.00 N ATOM 543 CA GLU A 44 4.288 2.938 5.527 1.00 0.00 C ATOM 544 C GLU A 44 2.960 3.418 4.994 1.00 0.00 C ATOM 545 O GLU A 44 2.681 4.614 4.902 1.00 0.00 O ATOM 546 CB GLU A 44 4.365 3.155 7.031 1.00 0.00 C ATOM 547 CG GLU A 44 5.063 2.037 7.782 1.00 0.00 C ATOM 548 CD GLU A 44 5.390 2.410 9.213 1.00 0.00 C ATOM 549 OE1 GLU A 44 5.902 3.525 9.432 1.00 0.00 O ATOM 550 OE2 GLU A 44 5.124 1.591 10.125 1.00 0.00 O ATOM 0 H GLU A 44 5.401 4.574 4.844 1.00 0.00 H new ATOM 0 HA GLU A 44 4.356 1.868 5.328 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.888 4.091 7.226 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.354 3.267 7.424 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.429 1.151 7.778 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.983 1.773 7.260 1.00 0.00 H new ATOM 557 N LEU A 45 2.164 2.453 4.624 1.00 0.00 N ATOM 558 CA LEU A 45 0.804 2.662 4.221 1.00 0.00 C ATOM 559 C LEU A 45 -0.089 2.650 5.437 1.00 0.00 C ATOM 560 O LEU A 45 -0.539 1.602 5.894 1.00 0.00 O ATOM 561 CB LEU A 45 0.434 1.567 3.240 1.00 0.00 C ATOM 562 CG LEU A 45 0.592 1.928 1.795 1.00 0.00 C ATOM 563 CD1 LEU A 45 0.990 0.716 1.000 1.00 0.00 C ATOM 564 CD2 LEU A 45 -0.702 2.450 1.275 1.00 0.00 C ATOM 0 H LEU A 45 2.452 1.475 4.594 1.00 0.00 H new ATOM 0 HA LEU A 45 0.680 3.630 3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.048 0.691 3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.603 1.279 3.415 1.00 0.00 H new ATOM 0 HG LEU A 45 1.367 2.689 1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.102 0.990 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.936 0.328 1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.220 -0.050 1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.592 2.714 0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.471 1.684 1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.992 3.334 1.843 1.00 0.00 H new ATOM 576 N ILE A 46 -0.318 3.828 5.969 1.00 0.00 N ATOM 577 CA ILE A 46 -0.994 3.964 7.235 1.00 0.00 C ATOM 578 C ILE A 46 -2.526 3.992 7.028 1.00 0.00 C ATOM 579 O ILE A 46 -3.126 5.036 6.798 1.00 0.00 O ATOM 580 CB ILE A 46 -0.486 5.226 7.987 1.00 0.00 C ATOM 581 CG1 ILE A 46 1.026 5.181 8.158 1.00 0.00 C ATOM 582 CG2 ILE A 46 -1.158 5.333 9.314 1.00 0.00 C ATOM 583 CD1 ILE A 46 1.538 3.803 8.419 1.00 0.00 C ATOM 0 H ILE A 46 -0.043 4.711 5.540 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.764 3.098 7.857 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.733 6.107 7.394 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.501 5.576 7.260 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.313 5.833 8.983 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.796 6.220 9.834 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.236 5.410 9.171 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.934 4.447 9.908 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.622 3.833 8.532 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.088 3.415 9.333 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.278 3.154 7.583 1.00 0.00 H new ATOM 595 N LEU A 47 -3.144 2.820 7.112 1.00 0.00 N ATOM 596 CA LEU A 47 -4.590 2.661 6.935 1.00 0.00 C ATOM 597 C LEU A 47 -5.334 3.079 8.209 1.00 0.00 C ATOM 598 O LEU A 47 -5.274 2.375 9.210 1.00 0.00 O ATOM 599 CB LEU A 47 -4.913 1.188 6.689 1.00 0.00 C ATOM 600 CG LEU A 47 -6.375 0.754 6.919 1.00 0.00 C ATOM 601 CD1 LEU A 47 -7.273 1.016 5.719 1.00 0.00 C ATOM 602 CD2 LEU A 47 -6.395 -0.709 7.232 1.00 0.00 C ATOM 0 H LEU A 47 -2.657 1.945 7.306 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.899 3.281 6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.644 0.947 5.660 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.273 0.586 7.335 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.765 1.348 7.745 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.288 0.688 5.945 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.278 2.083 5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.898 0.465 4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.423 -1.032 7.397 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.970 -1.266 6.397 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.807 -0.897 8.130 1.00 0.00 H new ATOM 614 N TYR A 48 -6.050 4.189 8.200 1.00 0.00 N ATOM 615 CA TYR A 48 -6.801 4.559 9.402 1.00 0.00 C ATOM 616 C TYR A 48 -8.148 3.867 9.380 1.00 0.00 C ATOM 617 O TYR A 48 -9.085 4.368 8.773 1.00 0.00 O ATOM 618 CB TYR A 48 -7.034 6.065 9.519 1.00 0.00 C ATOM 619 CG TYR A 48 -5.792 6.838 9.787 1.00 0.00 C ATOM 620 CD1 TYR A 48 -4.784 6.756 8.895 1.00 0.00 C ATOM 621 CD2 TYR A 48 -5.628 7.637 10.908 1.00 0.00 C ATOM 622 CE1 TYR A 48 -3.627 7.423 9.064 1.00 0.00 C ATOM 623 CE2 TYR A 48 -4.451 8.331 11.106 1.00 0.00 C ATOM 624 CZ TYR A 48 -3.443 8.219 10.172 1.00 0.00 C ATOM 625 OH TYR A 48 -2.259 8.897 10.345 1.00 0.00 O ATOM 0 H TYR A 48 -6.132 4.832 7.412 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.203 4.247 10.259 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.486 6.428 8.596 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -7.749 6.253 10.320 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.909 6.137 8.019 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.426 7.717 11.631 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.841 7.333 8.329 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.322 8.953 11.980 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.890 9.140 9.470 1.00 0.00 H new ATOM 635 N THR A 49 -8.260 2.750 10.066 1.00 0.00 N ATOM 636 CA THR A 49 -9.484 1.951 10.014 1.00 0.00 C ATOM 637 C THR A 49 -10.644 2.637 10.733 1.00 0.00 C ATOM 638 O THR A 49 -10.550 3.808 11.101 1.00 0.00 O ATOM 639 CB THR A 49 -9.279 0.578 10.629 1.00 0.00 C ATOM 640 OG1 THR A 49 -8.537 0.710 11.830 1.00 0.00 O ATOM 641 CG2 THR A 49 -8.570 -0.344 9.668 1.00 0.00 C ATOM 0 H THR A 49 -7.528 2.369 10.665 1.00 0.00 H new ATOM 0 HA THR A 49 -9.730 1.845 8.957 1.00 0.00 H new ATOM 0 HB THR A 49 -10.252 0.140 10.850 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.582 0.769 11.620 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.436 -1.321 10.133 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.166 -0.453 8.762 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.596 0.074 9.414 1.00 0.00 H new ATOM 649 N ARG A 50 -11.730 1.912 10.944 1.00 0.00 N ATOM 650 CA ARG A 50 -12.864 2.464 11.658 1.00 0.00 C ATOM 651 C ARG A 50 -12.618 2.441 13.154 1.00 0.00 C ATOM 652 O ARG A 50 -12.474 3.485 13.783 1.00 0.00 O ATOM 653 CB ARG A 50 -14.131 1.702 11.321 1.00 0.00 C ATOM 654 CG ARG A 50 -15.191 2.570 10.669 1.00 0.00 C ATOM 655 CD ARG A 50 -15.754 3.609 11.632 1.00 0.00 C ATOM 656 NE ARG A 50 -14.865 4.760 11.807 1.00 0.00 N ATOM 657 CZ ARG A 50 -15.081 5.739 12.685 1.00 0.00 C ATOM 658 NH1 ARG A 50 -16.162 5.721 13.451 1.00 0.00 N ATOM 659 NH2 ARG A 50 -14.219 6.739 12.792 1.00 0.00 N ATOM 0 H ARG A 50 -11.848 0.948 10.633 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.990 3.500 11.345 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.885 0.876 10.653 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.538 1.264 12.232 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.763 3.074 9.802 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -16.001 1.939 10.303 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.720 3.954 11.263 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.931 3.142 12.601 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.031 4.815 11.222 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -16.832 4.956 13.370 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.324 6.472 14.122 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.388 6.761 12.202 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.387 7.487 13.465 1.00 0.00 H new ATOM 673 N LYS A 51 -12.591 1.252 13.727 1.00 0.00 N ATOM 674 CA LYS A 51 -12.363 1.104 15.155 1.00 0.00 C ATOM 675 C LYS A 51 -11.093 0.323 15.468 1.00 0.00 C ATOM 676 O LYS A 51 -10.821 -0.008 16.620 1.00 0.00 O ATOM 677 CB LYS A 51 -13.590 0.499 15.783 1.00 0.00 C ATOM 678 CG LYS A 51 -14.708 1.516 15.888 1.00 0.00 C ATOM 679 CD LYS A 51 -14.519 2.397 17.114 1.00 0.00 C ATOM 680 CE LYS A 51 -13.768 3.687 16.827 1.00 0.00 C ATOM 681 NZ LYS A 51 -14.321 4.434 15.668 1.00 0.00 N ATOM 0 H LYS A 51 -12.724 0.373 13.226 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.195 2.089 15.591 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.924 -0.352 15.190 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.345 0.120 16.775 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.730 2.133 14.990 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.668 1.004 15.947 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.497 2.641 17.530 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.979 1.834 17.876 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.799 4.324 17.711 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.720 3.456 16.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.348 5.450 15.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.718 4.278 14.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.284 4.098 15.466 1.00 0.00 H new ATOM 695 N ARG A 52 -10.327 0.027 14.434 1.00 0.00 N ATOM 696 CA ARG A 52 -9.073 -0.688 14.582 1.00 0.00 C ATOM 697 C ARG A 52 -7.895 0.294 14.672 1.00 0.00 C ATOM 698 O ARG A 52 -6.765 -0.093 14.986 1.00 0.00 O ATOM 699 CB ARG A 52 -8.929 -1.647 13.393 1.00 0.00 C ATOM 700 CG ARG A 52 -7.563 -2.291 13.236 1.00 0.00 C ATOM 701 CD ARG A 52 -7.238 -3.204 14.397 1.00 0.00 C ATOM 702 NE ARG A 52 -7.819 -4.534 14.235 1.00 0.00 N ATOM 703 CZ ARG A 52 -7.576 -5.546 15.064 1.00 0.00 C ATOM 704 NH1 ARG A 52 -6.796 -5.360 16.122 1.00 0.00 N ATOM 705 NH2 ARG A 52 -8.104 -6.742 14.836 1.00 0.00 N ATOM 0 H ARG A 52 -10.556 0.274 13.471 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.069 -1.262 15.509 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.674 -2.436 13.492 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.162 -1.102 12.478 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.534 -2.860 12.307 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.801 -1.515 13.159 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.156 -3.292 14.495 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.607 -2.759 15.321 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.444 -4.696 13.445 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.385 -4.443 16.298 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.608 -6.134 16.759 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.700 -6.890 14.021 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.914 -7.514 15.475 1.00 0.00 H new ATOM 719 N ASP A 53 -8.193 1.574 14.416 1.00 0.00 N ATOM 720 CA ASP A 53 -7.204 2.645 14.416 1.00 0.00 C ATOM 721 C ASP A 53 -6.180 2.472 13.294 1.00 0.00 C ATOM 722 O ASP A 53 -6.212 1.493 12.551 1.00 0.00 O ATOM 723 CB ASP A 53 -6.572 2.742 15.804 1.00 0.00 C ATOM 724 CG ASP A 53 -5.315 3.580 15.889 1.00 0.00 C ATOM 725 OD1 ASP A 53 -5.411 4.818 15.730 1.00 0.00 O ATOM 726 OD2 ASP A 53 -4.231 3.007 16.119 1.00 0.00 O ATOM 0 H ASP A 53 -9.138 1.892 14.202 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.695 3.595 14.205 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.310 3.154 16.492 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.341 1.735 16.150 1.00 0.00 H new ATOM 731 N SER A 54 -5.332 3.466 13.144 1.00 0.00 N ATOM 732 CA SER A 54 -4.311 3.492 12.103 1.00 0.00 C ATOM 733 C SER A 54 -3.511 2.194 12.062 1.00 0.00 C ATOM 734 O SER A 54 -2.629 1.945 12.885 1.00 0.00 O ATOM 735 CB SER A 54 -3.375 4.684 12.289 1.00 0.00 C ATOM 736 OG SER A 54 -2.792 4.693 13.583 1.00 0.00 O ATOM 0 H SER A 54 -5.327 4.291 13.744 1.00 0.00 H new ATOM 0 HA SER A 54 -4.827 3.596 11.149 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.588 4.651 11.535 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.928 5.610 12.132 1.00 0.00 H new ATOM 0 HG SER A 54 -2.539 3.780 13.834 1.00 0.00 H new ATOM 742 N VAL A 55 -3.890 1.357 11.124 1.00 0.00 N ATOM 743 CA VAL A 55 -3.118 0.191 10.747 1.00 0.00 C ATOM 744 C VAL A 55 -2.017 0.642 9.817 1.00 0.00 C ATOM 745 O VAL A 55 -2.125 1.701 9.213 1.00 0.00 O ATOM 746 CB VAL A 55 -3.967 -0.835 10.011 1.00 0.00 C ATOM 747 CG1 VAL A 55 -3.247 -2.136 9.903 1.00 0.00 C ATOM 748 CG2 VAL A 55 -5.290 -1.052 10.686 1.00 0.00 C ATOM 0 H VAL A 55 -4.754 1.466 10.593 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.727 -0.273 11.653 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.152 -0.438 9.013 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.872 -2.855 9.373 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.316 -1.992 9.355 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.026 -2.514 10.901 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.866 -1.791 10.129 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.126 -1.410 11.702 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.841 -0.112 10.717 1.00 0.00 H new ATOM 758 N LYS A 56 -0.957 -0.121 9.695 1.00 0.00 N ATOM 759 CA LYS A 56 0.162 0.336 8.875 1.00 0.00 C ATOM 760 C LYS A 56 0.649 -0.765 7.930 1.00 0.00 C ATOM 761 O LYS A 56 0.585 -1.951 8.267 1.00 0.00 O ATOM 762 CB LYS A 56 1.370 0.803 9.704 1.00 0.00 C ATOM 763 CG LYS A 56 1.114 1.406 11.088 1.00 0.00 C ATOM 764 CD LYS A 56 -0.023 2.403 11.174 1.00 0.00 C ATOM 765 CE LYS A 56 0.464 3.764 11.618 1.00 0.00 C ATOM 766 NZ LYS A 56 1.389 3.701 12.783 1.00 0.00 N ATOM 0 H LYS A 56 -0.837 -1.034 10.134 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.231 1.183 8.313 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.035 -0.051 9.832 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.911 1.543 9.114 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.913 0.593 11.786 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.028 1.896 11.424 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.507 2.489 10.201 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.775 2.039 11.874 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.971 4.252 10.785 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.394 4.384 11.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.283 4.562 13.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.161 2.868 13.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.370 3.629 12.444 1.00 0.00 H new ATOM 780 N TRP A 57 1.143 -0.365 6.753 1.00 0.00 N ATOM 781 CA TRP A 57 1.771 -1.296 5.817 1.00 0.00 C ATOM 782 C TRP A 57 3.103 -0.798 5.304 1.00 0.00 C ATOM 783 O TRP A 57 3.162 0.061 4.431 1.00 0.00 O ATOM 784 CB TRP A 57 0.855 -1.642 4.652 1.00 0.00 C ATOM 785 CG TRP A 57 -0.028 -2.765 5.040 1.00 0.00 C ATOM 786 CD1 TRP A 57 0.242 -4.089 4.905 1.00 0.00 C ATOM 787 CD2 TRP A 57 -1.289 -2.670 5.681 1.00 0.00 C ATOM 788 NE1 TRP A 57 -0.791 -4.833 5.416 1.00 0.00 N ATOM 789 CE2 TRP A 57 -1.745 -3.981 5.899 1.00 0.00 C ATOM 790 CE3 TRP A 57 -2.082 -1.602 6.083 1.00 0.00 C ATOM 791 CZ2 TRP A 57 -2.956 -4.246 6.509 1.00 0.00 C ATOM 792 CZ3 TRP A 57 -3.282 -1.870 6.685 1.00 0.00 C ATOM 793 CH2 TRP A 57 -3.709 -3.178 6.893 1.00 0.00 C ATOM 0 H TRP A 57 1.118 0.601 6.428 1.00 0.00 H new ATOM 0 HA TRP A 57 1.956 -2.205 6.389 1.00 0.00 H new ATOM 0 HB2 TRP A 57 0.257 -0.774 4.374 1.00 0.00 H new ATOM 0 HB3 TRP A 57 1.447 -1.915 3.778 1.00 0.00 H new ATOM 0 HD1 TRP A 57 1.138 -4.496 4.461 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.839 -5.852 5.433 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.759 -0.584 5.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.292 -5.259 6.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.909 -1.051 7.005 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -4.662 -3.351 7.371 1.00 0.00 H new ATOM 804 N HIS A 58 4.181 -1.352 5.837 1.00 0.00 N ATOM 805 CA HIS A 58 5.503 -0.971 5.384 1.00 0.00 C ATOM 806 C HIS A 58 5.740 -1.508 3.963 1.00 0.00 C ATOM 807 O HIS A 58 5.317 -2.610 3.614 1.00 0.00 O ATOM 808 CB HIS A 58 6.600 -1.468 6.337 1.00 0.00 C ATOM 809 CG HIS A 58 7.930 -0.861 6.021 1.00 0.00 C ATOM 810 ND1 HIS A 58 8.841 -1.444 5.168 1.00 0.00 N ATOM 811 CD2 HIS A 58 8.440 0.342 6.351 1.00 0.00 C ATOM 812 CE1 HIS A 58 9.846 -0.608 4.963 1.00 0.00 C ATOM 813 NE2 HIS A 58 9.629 0.479 5.679 1.00 0.00 N ATOM 0 H HIS A 58 4.165 -2.057 6.574 1.00 0.00 H new ATOM 0 HA HIS A 58 5.554 0.118 5.374 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.326 -1.227 7.364 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.672 -2.554 6.273 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.996 1.064 7.020 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.696 -0.785 4.321 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.245 1.290 5.726 1.00 0.00 H new ATOM 822 N TYR A 59 6.425 -0.703 3.168 1.00 0.00 N ATOM 823 CA TYR A 59 6.618 -0.931 1.738 1.00 0.00 C ATOM 824 C TYR A 59 7.443 -2.180 1.438 1.00 0.00 C ATOM 825 O TYR A 59 7.289 -2.791 0.385 1.00 0.00 O ATOM 826 CB TYR A 59 7.308 0.291 1.147 1.00 0.00 C ATOM 827 CG TYR A 59 6.370 1.371 0.708 1.00 0.00 C ATOM 828 CD1 TYR A 59 5.263 1.681 1.461 1.00 0.00 C ATOM 829 CD2 TYR A 59 6.581 2.056 -0.466 1.00 0.00 C ATOM 830 CE1 TYR A 59 4.380 2.655 1.067 1.00 0.00 C ATOM 831 CE2 TYR A 59 5.715 3.039 -0.875 1.00 0.00 C ATOM 832 CZ TYR A 59 4.618 3.339 -0.106 1.00 0.00 C ATOM 833 OH TYR A 59 3.765 4.326 -0.514 1.00 0.00 O ATOM 0 H TYR A 59 6.875 0.149 3.503 1.00 0.00 H new ATOM 0 HA TYR A 59 5.638 -1.091 1.289 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.995 0.700 1.888 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.909 -0.022 0.293 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.084 1.147 2.382 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.440 1.817 -1.075 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.511 2.882 1.667 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.895 3.573 -1.796 1.00 0.00 H new ATOM 0 HH TYR A 59 3.850 5.099 0.083 1.00 0.00 H new ATOM 843 N LEU A 60 8.314 -2.553 2.365 1.00 0.00 N ATOM 844 CA LEU A 60 9.124 -3.766 2.232 1.00 0.00 C ATOM 845 C LEU A 60 8.297 -4.990 2.549 1.00 0.00 C ATOM 846 O LEU A 60 8.820 -6.074 2.799 1.00 0.00 O ATOM 847 CB LEU A 60 10.344 -3.712 3.147 1.00 0.00 C ATOM 848 CG LEU A 60 11.650 -3.349 2.459 1.00 0.00 C ATOM 849 CD1 LEU A 60 12.127 -4.470 1.544 1.00 0.00 C ATOM 850 CD2 LEU A 60 11.445 -2.092 1.678 1.00 0.00 C ATOM 0 H LEU A 60 8.482 -2.032 3.225 1.00 0.00 H new ATOM 0 HA LEU A 60 9.469 -3.827 1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.154 -2.986 3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.462 -4.683 3.627 1.00 0.00 H new ATOM 0 HG LEU A 60 12.420 -3.199 3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.063 -4.178 1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.285 -5.375 2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.375 -4.660 0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.374 -1.819 1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.665 -2.250 0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.146 -1.289 2.352 1.00 0.00 H new ATOM 862 N CYS A 61 7.002 -4.804 2.564 1.00 0.00 N ATOM 863 CA CYS A 61 6.109 -5.883 2.870 1.00 0.00 C ATOM 864 C CYS A 61 5.035 -5.982 1.803 1.00 0.00 C ATOM 865 O CYS A 61 4.449 -7.043 1.617 1.00 0.00 O ATOM 866 CB CYS A 61 5.495 -5.683 4.257 1.00 0.00 C ATOM 867 SG CYS A 61 4.984 -7.214 5.064 1.00 0.00 S ATOM 0 H CYS A 61 6.546 -3.913 2.367 1.00 0.00 H new ATOM 0 HA CYS A 61 6.666 -6.820 2.882 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.219 -5.174 4.893 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.630 -5.025 4.168 1.00 0.00 H new ATOM 0 HG CYS A 61 4.479 -6.942 6.231 1.00 0.00 H new ATOM 873 N LEU A 62 4.787 -4.875 1.102 1.00 0.00 N ATOM 874 CA LEU A 62 3.874 -4.871 -0.033 1.00 0.00 C ATOM 875 C LEU A 62 4.435 -5.713 -1.171 1.00 0.00 C ATOM 876 O LEU A 62 4.990 -5.166 -2.110 1.00 0.00 O ATOM 877 CB LEU A 62 3.687 -3.455 -0.581 1.00 0.00 C ATOM 878 CG LEU A 62 2.851 -2.451 0.222 1.00 0.00 C ATOM 879 CD1 LEU A 62 1.780 -1.867 -0.671 1.00 0.00 C ATOM 880 CD2 LEU A 62 2.206 -3.057 1.451 1.00 0.00 C ATOM 0 H LEU A 62 5.209 -3.969 1.304 1.00 0.00 H new ATOM 0 HA LEU A 62 2.925 -5.273 0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.678 -3.022 -0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.237 -3.542 -1.570 1.00 0.00 H new ATOM 0 HG LEU A 62 3.533 -1.677 0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.183 -1.153 -0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.247 -1.360 -1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.137 -2.667 -1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.630 -2.293 1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.544 -3.870 1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.979 -3.445 2.114 1.00 0.00 H new ATOM 892 N ARG A 63 4.284 -7.022 -1.104 1.00 0.00 N ATOM 893 CA ARG A 63 4.775 -7.883 -2.165 1.00 0.00 C ATOM 894 C ARG A 63 4.067 -7.548 -3.462 1.00 0.00 C ATOM 895 O ARG A 63 4.693 -7.454 -4.512 1.00 0.00 O ATOM 896 CB ARG A 63 4.578 -9.354 -1.821 1.00 0.00 C ATOM 897 CG ARG A 63 5.882 -10.126 -1.730 1.00 0.00 C ATOM 898 CD ARG A 63 6.688 -10.024 -3.015 1.00 0.00 C ATOM 899 NE ARG A 63 7.947 -10.758 -2.926 1.00 0.00 N ATOM 900 CZ ARG A 63 8.991 -10.549 -3.727 1.00 0.00 C ATOM 901 NH1 ARG A 63 8.949 -9.596 -4.650 1.00 0.00 N ATOM 902 NH2 ARG A 63 10.082 -11.290 -3.605 1.00 0.00 N ATOM 0 H ARG A 63 3.829 -7.510 -0.333 1.00 0.00 H new ATOM 0 HA ARG A 63 5.845 -7.710 -2.280 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.051 -9.431 -0.870 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.942 -9.815 -2.577 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.474 -9.744 -0.898 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.670 -11.174 -1.516 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.099 -10.413 -3.845 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.893 -8.976 -3.233 1.00 0.00 H new ATOM 0 HE ARG A 63 8.033 -11.475 -2.206 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.114 -9.019 -4.749 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.752 -9.441 -5.260 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.124 -12.023 -2.897 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.880 -11.128 -4.219 1.00 0.00 H new ATOM 916 N ARG A 64 2.760 -7.355 -3.376 1.00 0.00 N ATOM 917 CA ARG A 64 2.011 -6.850 -4.510 1.00 0.00 C ATOM 918 C ARG A 64 1.080 -5.744 -4.064 1.00 0.00 C ATOM 919 O ARG A 64 0.940 -5.520 -2.874 1.00 0.00 O ATOM 920 CB ARG A 64 1.284 -7.967 -5.271 1.00 0.00 C ATOM 921 CG ARG A 64 0.243 -8.761 -4.539 1.00 0.00 C ATOM 922 CD ARG A 64 -0.138 -9.965 -5.390 1.00 0.00 C ATOM 923 NE ARG A 64 1.035 -10.781 -5.708 1.00 0.00 N ATOM 924 CZ ARG A 64 1.061 -12.107 -5.658 1.00 0.00 C ATOM 925 NH1 ARG A 64 -0.041 -12.794 -5.385 1.00 0.00 N ATOM 926 NH2 ARG A 64 2.195 -12.742 -5.909 1.00 0.00 N ATOM 0 H ARG A 64 2.203 -7.539 -2.541 1.00 0.00 H new ATOM 0 HA ARG A 64 2.715 -6.425 -5.225 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.809 -7.520 -6.145 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.037 -8.664 -5.639 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.627 -9.087 -3.572 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.634 -8.144 -4.342 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.873 -10.571 -4.859 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.610 -9.627 -6.312 1.00 0.00 H new ATOM 0 HE ARG A 64 1.889 -10.298 -5.987 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.918 -12.303 -5.211 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.011 -13.813 -5.349 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.036 -12.212 -6.138 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.228 -13.761 -5.874 1.00 0.00 H new ATOM 940 N TYR A 65 0.512 -5.018 -5.014 1.00 0.00 N ATOM 941 CA TYR A 65 -0.321 -3.856 -4.713 1.00 0.00 C ATOM 942 C TYR A 65 -0.966 -3.332 -5.974 1.00 0.00 C ATOM 943 O TYR A 65 -0.336 -3.294 -7.023 1.00 0.00 O ATOM 944 CB TYR A 65 0.500 -2.762 -4.031 1.00 0.00 C ATOM 945 CG TYR A 65 1.757 -2.367 -4.771 1.00 0.00 C ATOM 946 CD1 TYR A 65 2.835 -3.233 -4.870 1.00 0.00 C ATOM 947 CD2 TYR A 65 1.879 -1.115 -5.339 1.00 0.00 C ATOM 948 CE1 TYR A 65 3.984 -2.864 -5.528 1.00 0.00 C ATOM 949 CE2 TYR A 65 3.015 -0.740 -5.983 1.00 0.00 C ATOM 950 CZ TYR A 65 4.069 -1.614 -6.085 1.00 0.00 C ATOM 951 OH TYR A 65 5.217 -1.229 -6.743 1.00 0.00 O ATOM 0 H TYR A 65 0.612 -5.213 -6.010 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.108 -4.165 -4.025 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.127 -1.879 -3.908 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.773 -3.100 -3.032 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.771 -4.214 -4.423 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.055 -0.420 -5.270 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.812 -3.553 -5.606 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.089 0.247 -6.415 1.00 0.00 H new ATOM 0 HH TYR A 65 5.848 -0.842 -6.101 1.00 0.00 H new ATOM 961 N GLY A 66 -2.227 -2.941 -5.875 1.00 0.00 N ATOM 962 CA GLY A 66 -2.994 -2.707 -7.070 1.00 0.00 C ATOM 963 C GLY A 66 -4.096 -1.704 -6.933 1.00 0.00 C ATOM 964 O GLY A 66 -4.191 -0.961 -5.958 1.00 0.00 O ATOM 0 H GLY A 66 -2.724 -2.784 -4.998 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.318 -2.375 -7.858 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.424 -3.653 -7.398 1.00 0.00 H new ATOM 968 N TYR A 67 -4.971 -1.782 -7.908 1.00 0.00 N ATOM 969 CA TYR A 67 -6.040 -0.831 -8.121 1.00 0.00 C ATOM 970 C TYR A 67 -7.049 -1.440 -9.086 1.00 0.00 C ATOM 971 O TYR A 67 -6.664 -1.941 -10.141 1.00 0.00 O ATOM 972 CB TYR A 67 -5.474 0.462 -8.723 1.00 0.00 C ATOM 973 CG TYR A 67 -6.407 1.129 -9.715 1.00 0.00 C ATOM 974 CD1 TYR A 67 -7.656 1.560 -9.314 1.00 0.00 C ATOM 975 CD2 TYR A 67 -6.041 1.326 -11.042 1.00 0.00 C ATOM 976 CE1 TYR A 67 -8.527 2.164 -10.188 1.00 0.00 C ATOM 977 CE2 TYR A 67 -6.906 1.936 -11.934 1.00 0.00 C ATOM 978 CZ TYR A 67 -8.152 2.352 -11.503 1.00 0.00 C ATOM 979 OH TYR A 67 -9.021 2.952 -12.388 1.00 0.00 O ATOM 0 H TYR A 67 -4.959 -2.533 -8.598 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.522 -0.599 -7.171 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.254 1.162 -7.917 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.529 0.239 -9.219 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.956 1.419 -8.286 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.069 0.999 -11.381 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.499 2.490 -9.848 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.609 2.086 -12.961 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.601 3.009 -13.272 1.00 0.00 H new ATOM 989 N ASP A 68 -8.322 -1.432 -8.722 1.00 0.00 N ATOM 990 CA ASP A 68 -9.358 -1.742 -9.681 1.00 0.00 C ATOM 991 C ASP A 68 -10.700 -1.131 -9.307 1.00 0.00 C ATOM 992 O ASP A 68 -11.290 -1.506 -8.314 1.00 0.00 O ATOM 993 CB ASP A 68 -9.511 -3.228 -9.866 1.00 0.00 C ATOM 994 CG ASP A 68 -10.373 -3.517 -11.090 1.00 0.00 C ATOM 995 OD1 ASP A 68 -9.818 -3.481 -12.212 1.00 0.00 O ATOM 996 OD2 ASP A 68 -11.600 -3.737 -10.962 1.00 0.00 O ATOM 0 H ASP A 68 -8.655 -1.217 -7.782 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.038 -1.297 -10.623 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.531 -3.691 -9.984 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.966 -3.668 -8.979 1.00 0.00 H new ATOM 1001 N SER A 69 -11.165 -0.182 -10.113 1.00 0.00 N ATOM 1002 CA SER A 69 -12.475 0.442 -9.926 1.00 0.00 C ATOM 1003 C SER A 69 -12.725 0.816 -8.457 1.00 0.00 C ATOM 1004 O SER A 69 -13.654 0.311 -7.822 1.00 0.00 O ATOM 1005 CB SER A 69 -13.578 -0.495 -10.436 1.00 0.00 C ATOM 1006 OG SER A 69 -14.819 0.181 -10.548 1.00 0.00 O ATOM 0 H SER A 69 -10.647 0.178 -10.914 1.00 0.00 H new ATOM 0 HA SER A 69 -12.491 1.366 -10.504 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.293 -0.900 -11.407 1.00 0.00 H new ATOM 0 HB3 SER A 69 -13.682 -1.341 -9.756 1.00 0.00 H new ATOM 0 HG SER A 69 -15.502 -0.441 -10.876 1.00 0.00 H new ATOM 1012 N ASN A 70 -11.881 1.702 -7.936 1.00 0.00 N ATOM 1013 CA ASN A 70 -11.932 2.124 -6.531 1.00 0.00 C ATOM 1014 C ASN A 70 -11.645 0.962 -5.577 1.00 0.00 C ATOM 1015 O ASN A 70 -12.142 0.936 -4.463 1.00 0.00 O ATOM 1016 CB ASN A 70 -13.263 2.766 -6.156 1.00 0.00 C ATOM 1017 CG ASN A 70 -13.595 3.994 -6.977 1.00 0.00 C ATOM 1018 OD1 ASN A 70 -12.709 4.654 -7.521 1.00 0.00 O ATOM 1019 ND2 ASN A 70 -14.869 4.329 -7.041 1.00 0.00 N ATOM 0 H ASN A 70 -11.139 2.151 -8.473 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.150 2.876 -6.425 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -14.059 2.031 -6.278 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.241 3.039 -5.101 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -15.152 5.163 -7.556 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.571 3.754 -6.576 1.00 0.00 H new ATOM 1026 N LEU A 71 -10.864 -0.004 -6.024 1.00 0.00 N ATOM 1027 CA LEU A 71 -10.355 -1.054 -5.145 1.00 0.00 C ATOM 1028 C LEU A 71 -8.816 -0.973 -5.158 1.00 0.00 C ATOM 1029 O LEU A 71 -8.210 -1.257 -6.175 1.00 0.00 O ATOM 1030 CB LEU A 71 -10.810 -2.443 -5.678 1.00 0.00 C ATOM 1031 CG LEU A 71 -11.654 -3.348 -4.749 1.00 0.00 C ATOM 1032 CD1 LEU A 71 -11.336 -4.835 -4.900 1.00 0.00 C ATOM 1033 CD2 LEU A 71 -11.501 -2.963 -3.300 1.00 0.00 C ATOM 0 H LEU A 71 -10.564 -0.088 -6.995 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.735 -0.925 -4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.383 -2.277 -6.590 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.916 -2.999 -5.960 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.685 -3.188 -5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.963 -5.412 -4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.531 -5.146 -5.926 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.287 -5.009 -4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.110 -3.623 -2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.455 -3.055 -3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.827 -1.932 -3.161 1.00 0.00 H new ATOM 1045 N PHE A 72 -8.177 -0.580 -4.060 1.00 0.00 N ATOM 1046 CA PHE A 72 -6.708 -0.577 -4.001 1.00 0.00 C ATOM 1047 C PHE A 72 -6.258 -1.712 -3.110 1.00 0.00 C ATOM 1048 O PHE A 72 -6.849 -1.954 -2.065 1.00 0.00 O ATOM 1049 CB PHE A 72 -6.121 0.776 -3.520 1.00 0.00 C ATOM 1050 CG PHE A 72 -5.084 0.683 -2.437 1.00 0.00 C ATOM 1051 CD1 PHE A 72 -5.462 0.690 -1.114 1.00 0.00 C ATOM 1052 CD2 PHE A 72 -3.727 0.599 -2.734 1.00 0.00 C ATOM 1053 CE1 PHE A 72 -4.514 0.619 -0.126 1.00 0.00 C ATOM 1054 CE2 PHE A 72 -2.794 0.533 -1.748 1.00 0.00 C ATOM 1055 CZ PHE A 72 -3.182 0.545 -0.455 1.00 0.00 C ATOM 0 H PHE A 72 -8.639 -0.263 -3.208 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.328 -0.717 -5.013 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.681 1.286 -4.377 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.940 1.401 -3.162 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.508 0.752 -0.853 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.410 0.586 -3.766 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.814 0.621 0.911 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.745 0.471 -1.998 1.00 0.00 H new ATOM 0 HZ PHE A 72 -2.439 0.496 0.327 1.00 0.00 H new ATOM 1065 N SER A 73 -5.233 -2.416 -3.516 1.00 0.00 N ATOM 1066 CA SER A 73 -4.823 -3.594 -2.791 1.00 0.00 C ATOM 1067 C SER A 73 -3.316 -3.647 -2.600 1.00 0.00 C ATOM 1068 O SER A 73 -2.583 -2.852 -3.181 1.00 0.00 O ATOM 1069 CB SER A 73 -5.300 -4.825 -3.538 1.00 0.00 C ATOM 1070 OG SER A 73 -4.867 -6.018 -2.913 1.00 0.00 O ATOM 0 H SER A 73 -4.670 -2.198 -4.338 1.00 0.00 H new ATOM 0 HA SER A 73 -5.272 -3.560 -1.798 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.389 -4.818 -3.593 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.929 -4.796 -4.562 1.00 0.00 H new ATOM 0 HG SER A 73 -5.206 -6.047 -1.994 1.00 0.00 H new ATOM 1076 N PHE A 74 -2.882 -4.583 -1.764 1.00 0.00 N ATOM 1077 CA PHE A 74 -1.480 -4.913 -1.594 1.00 0.00 C ATOM 1078 C PHE A 74 -1.341 -6.266 -0.879 1.00 0.00 C ATOM 1079 O PHE A 74 -2.183 -6.629 -0.057 1.00 0.00 O ATOM 1080 CB PHE A 74 -0.728 -3.805 -0.856 1.00 0.00 C ATOM 1081 CG PHE A 74 -1.361 -3.308 0.403 1.00 0.00 C ATOM 1082 CD1 PHE A 74 -1.619 -4.174 1.446 1.00 0.00 C ATOM 1083 CD2 PHE A 74 -1.669 -1.960 0.556 1.00 0.00 C ATOM 1084 CE1 PHE A 74 -2.175 -3.721 2.613 1.00 0.00 C ATOM 1085 CE2 PHE A 74 -2.220 -1.507 1.734 1.00 0.00 C ATOM 1086 CZ PHE A 74 -2.473 -2.387 2.758 1.00 0.00 C ATOM 0 H PHE A 74 -3.506 -5.139 -1.179 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.024 -4.998 -2.580 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.271 -4.169 -0.617 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -0.606 -2.961 -1.535 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.380 -5.222 1.341 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.476 -1.268 -0.250 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.379 -4.411 3.418 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.453 -0.459 1.853 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.907 -2.030 3.680 1.00 0.00 H new ATOM 1096 N GLU A 75 -0.312 -7.029 -1.229 1.00 0.00 N ATOM 1097 CA GLU A 75 -0.019 -8.280 -0.543 1.00 0.00 C ATOM 1098 C GLU A 75 1.070 -8.049 0.470 1.00 0.00 C ATOM 1099 O GLU A 75 2.230 -7.936 0.098 1.00 0.00 O ATOM 1100 CB GLU A 75 0.443 -9.379 -1.490 1.00 0.00 C ATOM 1101 CG GLU A 75 0.734 -10.698 -0.787 1.00 0.00 C ATOM 1102 CD GLU A 75 1.396 -11.719 -1.690 1.00 0.00 C ATOM 1103 OE1 GLU A 75 0.680 -12.407 -2.443 1.00 0.00 O ATOM 1104 OE2 GLU A 75 2.638 -11.850 -1.637 1.00 0.00 O ATOM 0 H GLU A 75 0.334 -6.802 -1.985 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.946 -8.606 -0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.323 -9.541 -2.248 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.341 -9.047 -2.010 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.377 -10.511 0.073 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.198 -11.112 -0.403 1.00 0.00 H new ATOM 1111 N SER A 76 0.722 -7.969 1.731 1.00 0.00 N ATOM 1112 CA SER A 76 1.731 -7.780 2.744 1.00 0.00 C ATOM 1113 C SER A 76 2.317 -9.139 3.126 1.00 0.00 C ATOM 1114 O SER A 76 1.591 -10.069 3.482 1.00 0.00 O ATOM 1115 CB SER A 76 1.123 -7.053 3.938 1.00 0.00 C ATOM 1116 OG SER A 76 0.125 -7.837 4.574 1.00 0.00 O ATOM 0 H SER A 76 -0.236 -8.031 2.077 1.00 0.00 H new ATOM 0 HA SER A 76 2.545 -7.161 2.367 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.907 -6.810 4.655 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.689 -6.109 3.608 1.00 0.00 H new ATOM 0 HG SER A 76 0.151 -7.679 5.541 1.00 0.00 H new ATOM 1122 N GLY A 77 3.643 -9.232 3.029 1.00 0.00 N ATOM 1123 CA GLY A 77 4.332 -10.504 3.144 1.00 0.00 C ATOM 1124 C GLY A 77 4.245 -11.133 4.514 1.00 0.00 C ATOM 1125 O GLY A 77 4.040 -12.337 4.628 1.00 0.00 O ATOM 0 H GLY A 77 4.258 -8.434 2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.917 -11.197 2.411 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.382 -10.360 2.888 1.00 0.00 H new ATOM 1129 N ARG A 78 4.418 -10.336 5.552 1.00 0.00 N ATOM 1130 CA ARG A 78 4.325 -10.850 6.908 1.00 0.00 C ATOM 1131 C ARG A 78 2.949 -10.538 7.453 1.00 0.00 C ATOM 1132 O ARG A 78 2.194 -9.788 6.833 1.00 0.00 O ATOM 1133 CB ARG A 78 5.397 -10.251 7.831 1.00 0.00 C ATOM 1134 CG ARG A 78 6.829 -10.539 7.406 1.00 0.00 C ATOM 1135 CD ARG A 78 7.308 -9.543 6.367 1.00 0.00 C ATOM 1136 NE ARG A 78 8.651 -9.845 5.882 1.00 0.00 N ATOM 1137 CZ ARG A 78 9.581 -8.920 5.629 1.00 0.00 C ATOM 1138 NH1 ARG A 78 9.383 -7.655 5.986 1.00 0.00 N ATOM 1139 NH2 ARG A 78 10.728 -9.278 5.073 1.00 0.00 N ATOM 0 H ARG A 78 4.622 -9.339 5.485 1.00 0.00 H new ATOM 0 HA ARG A 78 4.493 -11.927 6.876 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.256 -9.171 7.878 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.246 -10.636 8.839 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.483 -10.502 8.277 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.894 -11.549 7.001 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.614 -9.538 5.526 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.297 -8.541 6.796 1.00 0.00 H new ATOM 0 HE ARG A 78 8.895 -10.823 5.727 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.518 -7.387 6.455 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.096 -6.952 5.791 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.898 -10.256 4.840 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.441 -8.576 4.878 1.00 0.00 H new ATOM 1153 N ARG A 79 2.607 -11.129 8.583 1.00 0.00 N ATOM 1154 CA ARG A 79 1.359 -10.808 9.236 1.00 0.00 C ATOM 1155 C ARG A 79 1.309 -9.336 9.605 1.00 0.00 C ATOM 1156 O ARG A 79 2.330 -8.708 9.908 1.00 0.00 O ATOM 1157 CB ARG A 79 1.138 -11.687 10.459 1.00 0.00 C ATOM 1158 CG ARG A 79 2.346 -11.754 11.357 1.00 0.00 C ATOM 1159 CD ARG A 79 2.391 -10.590 12.330 1.00 0.00 C ATOM 1160 NE ARG A 79 3.659 -10.513 13.048 1.00 0.00 N ATOM 1161 CZ ARG A 79 4.437 -9.429 13.061 1.00 0.00 C ATOM 1162 NH1 ARG A 79 4.126 -8.372 12.318 1.00 0.00 N ATOM 1163 NH2 ARG A 79 5.535 -9.411 13.800 1.00 0.00 N ATOM 0 H ARG A 79 3.174 -11.829 9.062 1.00 0.00 H new ATOM 0 HA ARG A 79 0.549 -11.008 8.534 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.290 -11.305 11.027 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.876 -12.694 10.134 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.334 -12.692 11.913 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.251 -11.755 10.749 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.227 -9.659 11.787 1.00 0.00 H new ATOM 0 HD3 ARG A 79 1.576 -10.688 13.047 1.00 0.00 H new ATOM 0 HE ARG A 79 3.968 -11.334 13.569 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.290 -8.387 11.735 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.724 -7.546 12.331 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.787 -10.226 14.360 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.130 -8.582 13.810 1.00 0.00 H new ATOM 1177 N CYS A 80 0.121 -8.804 9.570 1.00 0.00 N ATOM 1178 CA CYS A 80 -0.098 -7.401 9.844 1.00 0.00 C ATOM 1179 C CYS A 80 -1.244 -7.242 10.828 1.00 0.00 C ATOM 1180 O CYS A 80 -1.831 -8.237 11.259 1.00 0.00 O ATOM 1181 CB CYS A 80 -0.384 -6.653 8.561 1.00 0.00 C ATOM 1182 SG CYS A 80 0.970 -6.701 7.366 1.00 0.00 S ATOM 0 H CYS A 80 -0.728 -9.326 9.351 1.00 0.00 H new ATOM 0 HA CYS A 80 0.804 -6.979 10.288 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -1.278 -7.073 8.099 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.607 -5.613 8.800 1.00 0.00 H new ATOM 0 HG CYS A 80 0.734 -5.854 6.409 1.00 0.00 H new ATOM 1188 N GLN A 81 -1.553 -6.007 11.186 1.00 0.00 N ATOM 1189 CA GLN A 81 -2.663 -5.720 12.085 1.00 0.00 C ATOM 1190 C GLN A 81 -3.943 -6.382 11.604 1.00 0.00 C ATOM 1191 O GLN A 81 -4.589 -7.124 12.341 1.00 0.00 O ATOM 1192 CB GLN A 81 -2.892 -4.229 12.157 1.00 0.00 C ATOM 1193 CG GLN A 81 -3.983 -3.842 13.118 1.00 0.00 C ATOM 1194 CD GLN A 81 -3.540 -3.912 14.565 1.00 0.00 C ATOM 1195 OE1 GLN A 81 -3.038 -2.940 15.122 1.00 0.00 O ATOM 1196 NE2 GLN A 81 -3.721 -5.067 15.185 1.00 0.00 N ATOM 0 H GLN A 81 -1.048 -5.180 10.866 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.405 -6.113 13.068 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.965 -3.740 12.454 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.144 -3.858 11.163 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.317 -2.829 12.893 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.840 -4.500 12.972 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.142 -5.852 14.688 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.440 -5.172 16.160 1.00 0.00 H new ATOM 1205 N THR A 82 -4.302 -6.098 10.367 1.00 0.00 N ATOM 1206 CA THR A 82 -5.529 -6.615 9.805 1.00 0.00 C ATOM 1207 C THR A 82 -5.300 -7.107 8.372 1.00 0.00 C ATOM 1208 O THR A 82 -6.235 -7.267 7.590 1.00 0.00 O ATOM 1209 CB THR A 82 -6.651 -5.546 9.885 1.00 0.00 C ATOM 1210 OG1 THR A 82 -7.827 -5.964 9.180 1.00 0.00 O ATOM 1211 CG2 THR A 82 -6.168 -4.208 9.354 1.00 0.00 C ATOM 0 H THR A 82 -3.759 -5.511 9.734 1.00 0.00 H new ATOM 0 HA THR A 82 -5.855 -7.474 10.391 1.00 0.00 H new ATOM 0 HB THR A 82 -6.911 -5.429 10.937 1.00 0.00 H new ATOM 0 HG1 THR A 82 -7.573 -6.329 8.307 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.974 -3.477 9.422 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.318 -3.867 9.946 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.864 -4.318 8.313 1.00 0.00 H new ATOM 1219 N GLY A 83 -4.037 -7.371 8.052 1.00 0.00 N ATOM 1220 CA GLY A 83 -3.677 -7.863 6.734 1.00 0.00 C ATOM 1221 C GLY A 83 -2.842 -9.117 6.821 1.00 0.00 C ATOM 1222 O GLY A 83 -1.633 -9.055 7.021 1.00 0.00 O ATOM 0 H GLY A 83 -3.249 -7.251 8.689 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.582 -8.066 6.161 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.124 -7.093 6.196 1.00 0.00 H new ATOM 1226 N GLN A 84 -3.491 -10.257 6.689 1.00 0.00 N ATOM 1227 CA GLN A 84 -2.814 -11.543 6.801 1.00 0.00 C ATOM 1228 C GLN A 84 -2.435 -12.086 5.421 1.00 0.00 C ATOM 1229 O GLN A 84 -2.290 -13.295 5.229 1.00 0.00 O ATOM 1230 CB GLN A 84 -3.720 -12.524 7.546 1.00 0.00 C ATOM 1231 CG GLN A 84 -4.199 -11.978 8.883 1.00 0.00 C ATOM 1232 CD GLN A 84 -5.303 -12.803 9.515 1.00 0.00 C ATOM 1233 OE1 GLN A 84 -6.170 -12.263 10.201 1.00 0.00 O ATOM 1234 NE2 GLN A 84 -5.275 -14.108 9.313 1.00 0.00 N ATOM 0 H GLN A 84 -4.492 -10.323 6.503 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.889 -11.413 7.362 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.583 -12.760 6.924 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.181 -13.457 7.711 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -3.354 -11.930 9.570 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.554 -10.957 8.743 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -4.540 -14.519 8.738 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -5.988 -14.704 9.732 1.00 0.00 H new ATOM 1243 N GLY A 85 -2.275 -11.174 4.470 1.00 0.00 N ATOM 1244 CA GLY A 85 -1.891 -11.543 3.118 1.00 0.00 C ATOM 1245 C GLY A 85 -2.240 -10.441 2.141 1.00 0.00 C ATOM 1246 O GLY A 85 -1.921 -9.275 2.387 1.00 0.00 O ATOM 0 H GLY A 85 -2.406 -10.173 4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.820 -11.743 3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.397 -12.464 2.830 1.00 0.00 H new ATOM 1250 N ILE A 86 -2.887 -10.795 1.035 1.00 0.00 N ATOM 1251 CA ILE A 86 -3.464 -9.791 0.156 1.00 0.00 C ATOM 1252 C ILE A 86 -4.588 -9.077 0.884 1.00 0.00 C ATOM 1253 O ILE A 86 -5.566 -9.701 1.301 1.00 0.00 O ATOM 1254 CB ILE A 86 -4.006 -10.373 -1.159 1.00 0.00 C ATOM 1255 CG1 ILE A 86 -2.837 -10.831 -2.024 1.00 0.00 C ATOM 1256 CG2 ILE A 86 -4.838 -9.324 -1.875 1.00 0.00 C ATOM 1257 CD1 ILE A 86 -2.983 -10.541 -3.496 1.00 0.00 C ATOM 0 H ILE A 86 -3.023 -11.759 0.731 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.662 -9.101 -0.107 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.644 -11.232 -0.954 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.927 -10.351 -1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.705 -11.905 -1.892 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.222 -9.738 -2.807 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.672 -9.026 -1.240 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.218 -8.454 -2.092 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.103 -10.903 -4.027 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.871 -11.044 -3.880 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.081 -9.466 -3.647 1.00 0.00 H new ATOM 1269 N PHE A 87 -4.438 -7.785 1.063 1.00 0.00 N ATOM 1270 CA PHE A 87 -5.450 -7.000 1.730 1.00 0.00 C ATOM 1271 C PHE A 87 -5.826 -5.826 0.850 1.00 0.00 C ATOM 1272 O PHE A 87 -4.990 -4.981 0.524 1.00 0.00 O ATOM 1273 CB PHE A 87 -4.930 -6.545 3.098 1.00 0.00 C ATOM 1274 CG PHE A 87 -5.983 -6.046 4.051 1.00 0.00 C ATOM 1275 CD1 PHE A 87 -7.303 -6.460 3.962 1.00 0.00 C ATOM 1276 CD2 PHE A 87 -5.637 -5.162 5.053 1.00 0.00 C ATOM 1277 CE1 PHE A 87 -8.248 -5.994 4.857 1.00 0.00 C ATOM 1278 CE2 PHE A 87 -6.577 -4.698 5.949 1.00 0.00 C ATOM 1279 CZ PHE A 87 -7.878 -5.110 5.854 1.00 0.00 C ATOM 0 H PHE A 87 -3.623 -7.255 0.755 1.00 0.00 H new ATOM 0 HA PHE A 87 -6.346 -7.598 1.900 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.406 -7.379 3.565 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.197 -5.753 2.945 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.596 -7.153 3.187 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.613 -4.828 5.137 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.275 -6.320 4.778 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.286 -4.008 6.727 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.614 -4.746 6.556 1.00 0.00 H new ATOM 1289 N ALA A 88 -7.075 -5.808 0.432 1.00 0.00 N ATOM 1290 CA ALA A 88 -7.546 -4.811 -0.495 1.00 0.00 C ATOM 1291 C ALA A 88 -8.574 -3.896 0.166 1.00 0.00 C ATOM 1292 O ALA A 88 -9.392 -4.325 0.991 1.00 0.00 O ATOM 1293 CB ALA A 88 -8.122 -5.481 -1.725 1.00 0.00 C ATOM 0 H ALA A 88 -7.784 -6.480 0.725 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.704 -4.191 -0.801 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.476 -4.721 -2.421 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.351 -6.083 -2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.954 -6.122 -1.434 1.00 0.00 H new ATOM 1299 N PHE A 89 -8.517 -2.630 -0.194 1.00 0.00 N ATOM 1300 CA PHE A 89 -9.431 -1.642 0.328 1.00 0.00 C ATOM 1301 C PHE A 89 -10.103 -0.964 -0.827 1.00 0.00 C ATOM 1302 O PHE A 89 -9.460 -0.586 -1.800 1.00 0.00 O ATOM 1303 CB PHE A 89 -8.725 -0.585 1.166 1.00 0.00 C ATOM 1304 CG PHE A 89 -7.669 -1.155 2.025 1.00 0.00 C ATOM 1305 CD1 PHE A 89 -6.433 -1.325 1.497 1.00 0.00 C ATOM 1306 CD2 PHE A 89 -7.907 -1.528 3.332 1.00 0.00 C ATOM 1307 CE1 PHE A 89 -5.425 -1.864 2.235 1.00 0.00 C ATOM 1308 CE2 PHE A 89 -6.898 -2.070 4.092 1.00 0.00 C ATOM 1309 CZ PHE A 89 -5.649 -2.242 3.539 1.00 0.00 C ATOM 0 H PHE A 89 -7.835 -2.260 -0.856 1.00 0.00 H new ATOM 0 HA PHE A 89 -10.148 -2.153 0.971 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.287 0.164 0.506 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.457 -0.071 1.789 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.245 -1.028 0.476 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.890 -1.394 3.759 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.447 -1.995 1.796 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.084 -2.359 5.116 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.850 -2.671 4.125 1.00 0.00 H new ATOM 1319 N LYS A 90 -11.383 -0.803 -0.715 1.00 0.00 N ATOM 1320 CA LYS A 90 -12.147 -0.160 -1.728 1.00 0.00 C ATOM 1321 C LYS A 90 -11.897 1.342 -1.634 1.00 0.00 C ATOM 1322 O LYS A 90 -12.646 2.083 -1.005 1.00 0.00 O ATOM 1323 CB LYS A 90 -13.597 -0.505 -1.523 1.00 0.00 C ATOM 1324 CG LYS A 90 -14.396 -0.621 -2.786 1.00 0.00 C ATOM 1325 CD LYS A 90 -15.663 -1.415 -2.571 1.00 0.00 C ATOM 1326 CE LYS A 90 -16.427 -0.869 -1.395 1.00 0.00 C ATOM 1327 NZ LYS A 90 -17.717 -1.585 -1.193 1.00 0.00 N ATOM 0 H LYS A 90 -11.928 -1.117 0.088 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.859 -0.492 -2.725 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.659 -1.449 -0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.052 0.256 -0.890 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.647 0.375 -3.151 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.792 -1.100 -3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -16.283 -1.374 -3.467 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.419 -2.463 -2.400 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.819 -0.955 -0.495 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.621 0.193 -1.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -18.350 -1.002 -0.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -18.164 -1.762 -2.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -17.540 -2.491 -0.714 1.00 0.00 H new ATOM 1341 N CYS A 91 -10.808 1.761 -2.248 1.00 0.00 N ATOM 1342 CA CYS A 91 -10.365 3.144 -2.194 1.00 0.00 C ATOM 1343 C CYS A 91 -10.805 3.856 -3.457 1.00 0.00 C ATOM 1344 O CYS A 91 -10.431 3.448 -4.544 1.00 0.00 O ATOM 1345 CB CYS A 91 -8.840 3.225 -2.087 1.00 0.00 C ATOM 1346 SG CYS A 91 -8.208 4.919 -2.130 1.00 0.00 S ATOM 0 H CYS A 91 -10.203 1.153 -2.800 1.00 0.00 H new ATOM 0 HA CYS A 91 -10.805 3.615 -1.315 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -8.522 2.750 -1.159 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -8.395 2.658 -2.904 1.00 0.00 H new ATOM 0 HG CYS A 91 -8.569 5.544 -1.049 1.00 0.00 H new ATOM 1352 N ALA A 92 -11.583 4.919 -3.343 1.00 0.00 N ATOM 1353 CA ALA A 92 -12.056 5.590 -4.544 1.00 0.00 C ATOM 1354 C ALA A 92 -10.938 6.348 -5.252 1.00 0.00 C ATOM 1355 O ALA A 92 -11.072 6.738 -6.408 1.00 0.00 O ATOM 1356 CB ALA A 92 -13.247 6.472 -4.267 1.00 0.00 C ATOM 0 H ALA A 92 -11.893 5.327 -2.461 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.393 4.811 -5.228 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -13.566 6.953 -5.192 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -14.063 5.868 -3.872 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.973 7.234 -3.537 1.00 0.00 H new ATOM 1362 N ARG A 93 -9.833 6.548 -4.555 1.00 0.00 N ATOM 1363 CA ARG A 93 -8.592 6.920 -5.208 1.00 0.00 C ATOM 1364 C ARG A 93 -7.653 5.743 -5.208 1.00 0.00 C ATOM 1365 O ARG A 93 -6.485 5.903 -4.962 1.00 0.00 O ATOM 1366 CB ARG A 93 -7.908 8.118 -4.569 1.00 0.00 C ATOM 1367 CG ARG A 93 -8.268 9.408 -5.264 1.00 0.00 C ATOM 1368 CD ARG A 93 -9.498 10.063 -4.646 1.00 0.00 C ATOM 1369 NE ARG A 93 -9.281 10.471 -3.255 1.00 0.00 N ATOM 1370 CZ ARG A 93 -10.261 10.605 -2.357 1.00 0.00 C ATOM 1371 NH1 ARG A 93 -11.519 10.358 -2.696 1.00 0.00 N ATOM 1372 NH2 ARG A 93 -9.984 11.007 -1.123 1.00 0.00 N ATOM 0 H ARG A 93 -9.770 6.459 -3.541 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.847 7.213 -6.226 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -8.192 8.180 -3.518 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.827 7.978 -4.600 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.425 10.097 -5.211 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.453 9.212 -6.320 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -9.776 10.935 -5.237 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -10.336 9.368 -4.690 1.00 0.00 H new ATOM 0 HE ARG A 93 -8.325 10.664 -2.955 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -11.743 10.064 -3.647 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -12.263 10.462 -2.006 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -9.021 11.214 -0.858 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.734 11.109 -0.439 1.00 0.00 H new ATOM 1386 N ALA A 94 -8.187 4.549 -5.439 1.00 0.00 N ATOM 1387 CA ALA A 94 -7.365 3.348 -5.566 1.00 0.00 C ATOM 1388 C ALA A 94 -6.289 3.579 -6.591 1.00 0.00 C ATOM 1389 O ALA A 94 -5.115 3.398 -6.334 1.00 0.00 O ATOM 1390 CB ALA A 94 -8.201 2.187 -6.049 1.00 0.00 C ATOM 0 H ALA A 94 -9.188 4.385 -5.543 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.937 3.127 -4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.574 1.300 -6.139 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.003 1.995 -5.336 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.630 2.428 -7.022 1.00 0.00 H new ATOM 1396 N GLU A 95 -6.753 3.943 -7.770 1.00 0.00 N ATOM 1397 CA GLU A 95 -5.895 4.330 -8.890 1.00 0.00 C ATOM 1398 C GLU A 95 -4.779 5.243 -8.426 1.00 0.00 C ATOM 1399 O GLU A 95 -3.596 4.962 -8.599 1.00 0.00 O ATOM 1400 CB GLU A 95 -6.738 5.058 -9.942 1.00 0.00 C ATOM 1401 CG GLU A 95 -7.893 5.864 -9.349 1.00 0.00 C ATOM 1402 CD GLU A 95 -8.505 6.831 -10.335 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -7.794 7.750 -10.788 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -9.707 6.695 -10.634 1.00 0.00 O ATOM 0 H GLU A 95 -7.749 3.981 -7.988 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.452 3.430 -9.316 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.094 5.727 -10.512 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -7.139 4.327 -10.644 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.663 5.179 -8.995 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.535 6.417 -8.481 1.00 0.00 H new ATOM 1411 N GLU A 96 -5.204 6.319 -7.817 1.00 0.00 N ATOM 1412 CA GLU A 96 -4.338 7.356 -7.317 1.00 0.00 C ATOM 1413 C GLU A 96 -3.429 6.834 -6.212 1.00 0.00 C ATOM 1414 O GLU A 96 -2.226 7.078 -6.210 1.00 0.00 O ATOM 1415 CB GLU A 96 -5.227 8.457 -6.794 1.00 0.00 C ATOM 1416 CG GLU A 96 -4.566 9.803 -6.796 1.00 0.00 C ATOM 1417 CD GLU A 96 -3.621 9.984 -7.965 1.00 0.00 C ATOM 1418 OE1 GLU A 96 -4.102 10.185 -9.102 1.00 0.00 O ATOM 1419 OE2 GLU A 96 -2.396 9.936 -7.755 1.00 0.00 O ATOM 0 H GLU A 96 -6.193 6.504 -7.650 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.687 7.721 -8.112 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.132 8.503 -7.400 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.536 8.213 -5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.330 10.579 -6.828 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.016 9.935 -5.864 1.00 0.00 H new ATOM 1426 N LEU A 97 -4.028 6.120 -5.278 1.00 0.00 N ATOM 1427 CA LEU A 97 -3.337 5.567 -4.150 1.00 0.00 C ATOM 1428 C LEU A 97 -2.319 4.555 -4.597 1.00 0.00 C ATOM 1429 O LEU A 97 -1.134 4.716 -4.356 1.00 0.00 O ATOM 1430 CB LEU A 97 -4.346 4.912 -3.228 1.00 0.00 C ATOM 1431 CG LEU A 97 -3.919 4.895 -1.785 1.00 0.00 C ATOM 1432 CD1 LEU A 97 -5.110 4.954 -0.901 1.00 0.00 C ATOM 1433 CD2 LEU A 97 -3.181 3.625 -1.502 1.00 0.00 C ATOM 0 H LEU A 97 -5.026 5.910 -5.291 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.815 6.365 -3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.297 5.438 -3.311 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.518 3.888 -3.560 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.279 5.757 -1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.791 4.941 0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.665 5.871 -1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.750 4.093 -1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.870 3.610 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.833 2.774 -1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.301 3.565 -2.143 1.00 0.00 H new ATOM 1445 N PHE A 98 -2.792 3.519 -5.259 1.00 0.00 N ATOM 1446 CA PHE A 98 -1.921 2.500 -5.784 1.00 0.00 C ATOM 1447 C PHE A 98 -0.739 3.153 -6.496 1.00 0.00 C ATOM 1448 O PHE A 98 0.405 2.872 -6.177 1.00 0.00 O ATOM 1449 CB PHE A 98 -2.691 1.583 -6.740 1.00 0.00 C ATOM 1450 CG PHE A 98 -1.791 0.883 -7.692 1.00 0.00 C ATOM 1451 CD1 PHE A 98 -0.831 0.052 -7.194 1.00 0.00 C ATOM 1452 CD2 PHE A 98 -1.856 1.105 -9.055 1.00 0.00 C ATOM 1453 CE1 PHE A 98 0.069 -0.552 -8.017 1.00 0.00 C ATOM 1454 CE2 PHE A 98 -0.964 0.481 -9.903 1.00 0.00 C ATOM 1455 CZ PHE A 98 0.009 -0.346 -9.374 1.00 0.00 C ATOM 0 H PHE A 98 -3.783 3.365 -5.445 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.544 1.892 -4.962 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.250 0.847 -6.163 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -3.420 2.172 -7.297 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.784 -0.129 -6.130 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.607 1.769 -9.457 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.832 -1.194 -7.603 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.026 0.637 -10.970 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.721 -0.830 -10.026 1.00 0.00 H new ATOM 1465 N ASN A 99 -1.052 4.046 -7.431 1.00 0.00 N ATOM 1466 CA ASN A 99 -0.049 4.836 -8.155 1.00 0.00 C ATOM 1467 C ASN A 99 0.918 5.496 -7.212 1.00 0.00 C ATOM 1468 O ASN A 99 2.103 5.200 -7.249 1.00 0.00 O ATOM 1469 CB ASN A 99 -0.725 5.927 -8.982 1.00 0.00 C ATOM 1470 CG ASN A 99 0.174 6.483 -10.067 1.00 0.00 C ATOM 1471 OD1 ASN A 99 0.138 7.679 -10.362 1.00 0.00 O ATOM 1472 ND2 ASN A 99 0.969 5.625 -10.682 1.00 0.00 N ATOM 0 H ASN A 99 -2.012 4.246 -7.712 1.00 0.00 H new ATOM 0 HA ASN A 99 0.492 4.147 -8.803 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -1.629 5.524 -9.437 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -1.035 6.738 -8.322 1.00 0.00 H new ATOM 0 HD21 ASN A 99 1.583 5.945 -11.431 1.00 0.00 H new ATOM 0 HD22 ASN A 99 0.969 4.643 -10.408 1.00 0.00 H new ATOM 1479 N MET A 100 0.405 6.382 -6.376 1.00 0.00 N ATOM 1480 CA MET A 100 1.216 7.102 -5.412 1.00 0.00 C ATOM 1481 C MET A 100 2.119 6.123 -4.688 1.00 0.00 C ATOM 1482 O MET A 100 3.318 6.329 -4.608 1.00 0.00 O ATOM 1483 CB MET A 100 0.305 7.827 -4.425 1.00 0.00 C ATOM 1484 CG MET A 100 0.997 8.887 -3.587 1.00 0.00 C ATOM 1485 SD MET A 100 0.189 9.181 -2.009 1.00 0.00 S ATOM 1486 CE MET A 100 -1.514 9.126 -2.522 1.00 0.00 C ATOM 0 H MET A 100 -0.586 6.622 -6.347 1.00 0.00 H new ATOM 0 HA MET A 100 1.836 7.840 -5.921 1.00 0.00 H new ATOM 0 HB2 MET A 100 -0.509 8.295 -4.979 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.144 7.091 -3.758 1.00 0.00 H new ATOM 0 HG2 MET A 100 2.029 8.584 -3.409 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.032 9.820 -4.149 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.120 9.717 -1.835 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.604 9.534 -3.529 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.862 8.093 -2.517 1.00 0.00 H new ATOM 1496 N LEU A 101 1.527 5.039 -4.214 1.00 0.00 N ATOM 1497 CA LEU A 101 2.258 3.948 -3.600 1.00 0.00 C ATOM 1498 C LEU A 101 3.383 3.449 -4.502 1.00 0.00 C ATOM 1499 O LEU A 101 4.540 3.470 -4.092 1.00 0.00 O ATOM 1500 CB LEU A 101 1.269 2.826 -3.271 1.00 0.00 C ATOM 1501 CG LEU A 101 1.832 1.429 -3.081 1.00 0.00 C ATOM 1502 CD1 LEU A 101 2.861 1.389 -1.978 1.00 0.00 C ATOM 1503 CD2 LEU A 101 0.696 0.479 -2.785 1.00 0.00 C ATOM 0 H LEU A 101 0.518 4.892 -4.246 1.00 0.00 H new ATOM 0 HA LEU A 101 2.731 4.300 -2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.739 3.102 -2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.529 2.785 -4.070 1.00 0.00 H new ATOM 0 HG LEU A 101 2.337 1.126 -3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.241 0.373 -1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.684 2.060 -2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.402 1.705 -1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.090 -0.528 -2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.184 0.796 -1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.007 0.482 -3.618 1.00 0.00 H new ATOM 1515 N GLN A 102 3.062 3.017 -5.728 1.00 0.00 N ATOM 1516 CA GLN A 102 4.102 2.534 -6.633 1.00 0.00 C ATOM 1517 C GLN A 102 5.164 3.613 -6.830 1.00 0.00 C ATOM 1518 O GLN A 102 6.348 3.324 -6.822 1.00 0.00 O ATOM 1519 CB GLN A 102 3.589 2.088 -8.009 1.00 0.00 C ATOM 1520 CG GLN A 102 2.129 2.104 -8.209 1.00 0.00 C ATOM 1521 CD GLN A 102 1.783 2.301 -9.670 1.00 0.00 C ATOM 1522 OE1 GLN A 102 0.743 2.852 -10.020 1.00 0.00 O ATOM 1523 NE2 GLN A 102 2.679 1.881 -10.532 1.00 0.00 N ATOM 0 H GLN A 102 2.115 2.993 -6.106 1.00 0.00 H new ATOM 0 HA GLN A 102 4.518 1.649 -6.152 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.043 2.729 -8.765 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.946 1.075 -8.193 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.699 1.168 -7.853 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.686 2.904 -7.616 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.531 1.428 -10.202 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.523 2.008 -11.532 1.00 0.00 H new ATOM 1532 N GLU A 103 4.720 4.860 -6.980 1.00 0.00 N ATOM 1533 CA GLU A 103 5.619 6.000 -7.176 1.00 0.00 C ATOM 1534 C GLU A 103 6.509 6.202 -5.965 1.00 0.00 C ATOM 1535 O GLU A 103 7.721 6.339 -6.097 1.00 0.00 O ATOM 1536 CB GLU A 103 4.821 7.275 -7.398 1.00 0.00 C ATOM 1537 CG GLU A 103 3.777 7.180 -8.488 1.00 0.00 C ATOM 1538 CD GLU A 103 4.365 7.266 -9.881 1.00 0.00 C ATOM 1539 OE1 GLU A 103 4.829 8.360 -10.270 1.00 0.00 O ATOM 1540 OE2 GLU A 103 4.360 6.247 -10.601 1.00 0.00 O ATOM 0 H GLU A 103 3.731 5.110 -6.969 1.00 0.00 H new ATOM 0 HA GLU A 103 6.233 5.785 -8.051 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.329 7.548 -6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.511 8.082 -7.643 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.237 6.239 -8.385 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.049 7.981 -8.357 1.00 0.00 H new ATOM 1547 N ILE A 104 5.901 6.250 -4.788 1.00 0.00 N ATOM 1548 CA ILE A 104 6.656 6.353 -3.557 1.00 0.00 C ATOM 1549 C ILE A 104 7.657 5.207 -3.491 1.00 0.00 C ATOM 1550 O ILE A 104 8.818 5.399 -3.129 1.00 0.00 O ATOM 1551 CB ILE A 104 5.755 6.333 -2.305 1.00 0.00 C ATOM 1552 CG1 ILE A 104 4.954 7.626 -2.179 1.00 0.00 C ATOM 1553 CG2 ILE A 104 6.611 6.150 -1.081 1.00 0.00 C ATOM 1554 CD1 ILE A 104 3.484 7.419 -1.921 1.00 0.00 C ATOM 0 H ILE A 104 4.889 6.219 -4.664 1.00 0.00 H new ATOM 0 HA ILE A 104 7.171 7.314 -3.562 1.00 0.00 H new ATOM 0 HB ILE A 104 5.052 5.506 -2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.373 8.222 -1.369 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.073 8.205 -3.095 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.978 6.135 -0.193 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.155 5.208 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.321 6.974 -1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.988 8.387 -1.845 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.047 6.851 -2.742 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.352 6.869 -0.989 1.00 0.00 H new ATOM 1566 N MET A 105 7.198 4.026 -3.885 1.00 0.00 N ATOM 1567 CA MET A 105 8.057 2.860 -3.985 1.00 0.00 C ATOM 1568 C MET A 105 9.231 3.131 -4.923 1.00 0.00 C ATOM 1569 O MET A 105 10.393 2.934 -4.563 1.00 0.00 O ATOM 1570 CB MET A 105 7.282 1.660 -4.507 1.00 0.00 C ATOM 1571 CG MET A 105 6.228 1.137 -3.557 1.00 0.00 C ATOM 1572 SD MET A 105 5.836 -0.576 -3.894 1.00 0.00 S ATOM 1573 CE MET A 105 5.096 -1.043 -2.351 1.00 0.00 C ATOM 0 H MET A 105 6.226 3.853 -4.142 1.00 0.00 H new ATOM 0 HA MET A 105 8.431 2.644 -2.984 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.803 1.933 -5.447 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.985 0.857 -4.729 1.00 0.00 H new ATOM 0 HG2 MET A 105 6.580 1.236 -2.530 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.326 1.742 -3.644 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.687 -1.833 -1.888 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.062 -0.179 -1.687 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.083 -1.404 -2.528 1.00 0.00 H new ATOM 1583 N GLN A 106 8.890 3.596 -6.124 1.00 0.00 N ATOM 1584 CA GLN A 106 9.850 3.906 -7.176 1.00 0.00 C ATOM 1585 C GLN A 106 10.912 4.881 -6.685 1.00 0.00 C ATOM 1586 O GLN A 106 12.108 4.716 -6.932 1.00 0.00 O ATOM 1587 CB GLN A 106 9.119 4.568 -8.336 1.00 0.00 C ATOM 1588 CG GLN A 106 8.114 3.693 -9.051 1.00 0.00 C ATOM 1589 CD GLN A 106 7.078 4.510 -9.799 1.00 0.00 C ATOM 1590 OE1 GLN A 106 7.342 5.638 -10.209 1.00 0.00 O ATOM 1591 NE2 GLN A 106 5.900 3.942 -10.010 1.00 0.00 N ATOM 0 H GLN A 106 7.922 3.770 -6.395 1.00 0.00 H new ATOM 0 HA GLN A 106 10.327 2.975 -7.481 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.604 5.453 -7.962 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.857 4.911 -9.061 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.635 3.040 -9.751 1.00 0.00 H new ATOM 0 HG3 GLN A 106 7.614 3.049 -8.327 1.00 0.00 H new ATOM 0 HE21 GLN A 106 5.715 3.004 -9.655 1.00 0.00 H new ATOM 0 HE22 GLN A 106 5.178 4.443 -10.527 1.00 0.00 H new ATOM 1600 N ASN A 107 10.446 5.896 -5.982 1.00 0.00 N ATOM 1601 CA ASN A 107 11.245 7.077 -5.707 1.00 0.00 C ATOM 1602 C ASN A 107 11.941 7.040 -4.347 1.00 0.00 C ATOM 1603 O ASN A 107 13.016 7.621 -4.191 1.00 0.00 O ATOM 1604 CB ASN A 107 10.359 8.314 -5.811 1.00 0.00 C ATOM 1605 CG ASN A 107 9.995 8.668 -7.243 1.00 0.00 C ATOM 1606 OD1 ASN A 107 10.726 9.383 -7.928 1.00 0.00 O ATOM 1607 ND2 ASN A 107 8.847 8.185 -7.696 1.00 0.00 N ATOM 0 H ASN A 107 9.506 5.926 -5.586 1.00 0.00 H new ATOM 0 HA ASN A 107 12.041 7.108 -6.451 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.445 8.148 -5.241 1.00 0.00 H new ATOM 0 HB3 ASN A 107 10.871 9.160 -5.353 1.00 0.00 H new ATOM 0 HD21 ASN A 107 8.541 8.403 -8.644 1.00 0.00 H new ATOM 0 HD22 ASN A 107 8.270 7.596 -7.096 1.00 0.00 H new ATOM 1614 N ASN A 108 11.358 6.362 -3.364 1.00 0.00 N ATOM 1615 CA ASN A 108 11.911 6.399 -2.011 1.00 0.00 C ATOM 1616 C ASN A 108 12.810 5.218 -1.752 1.00 0.00 C ATOM 1617 O ASN A 108 13.686 5.286 -0.887 1.00 0.00 O ATOM 1618 CB ASN A 108 10.819 6.474 -0.934 1.00 0.00 C ATOM 1619 CG ASN A 108 10.186 7.850 -0.887 1.00 0.00 C ATOM 1620 OD1 ASN A 108 9.154 8.063 -1.686 1.00 0.00 O flip ATOM 1621 ND2 ASN A 108 10.637 8.718 -0.148 1.00 0.00 N flip ATOM 0 H ASN A 108 10.520 5.791 -3.472 1.00 0.00 H new ATOM 0 HA ASN A 108 12.503 7.312 -1.948 1.00 0.00 H new ATOM 0 HB2 ASN A 108 10.053 5.726 -1.137 1.00 0.00 H new ATOM 0 HB3 ASN A 108 11.248 6.235 0.039 1.00 0.00 H new ATOM 0 HD21 ASN A 108 11.435 8.512 0.453 1.00 0.00 H new ATOM 0 HD22 ASN A 108 10.214 9.646 -0.134 1.00 0.00 H new ATOM 1628 N SER A 109 12.580 4.138 -2.498 1.00 0.00 N ATOM 1629 CA SER A 109 13.322 2.878 -2.334 1.00 0.00 C ATOM 1630 C SER A 109 12.924 2.189 -1.031 1.00 0.00 C ATOM 1631 O SER A 109 12.814 0.963 -0.982 1.00 0.00 O ATOM 1632 CB SER A 109 14.834 3.118 -2.376 1.00 0.00 C ATOM 1633 OG SER A 109 15.196 3.812 -3.555 1.00 0.00 O ATOM 0 H SER A 109 11.875 4.107 -3.234 1.00 0.00 H new ATOM 0 HA SER A 109 13.063 2.224 -3.166 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.141 3.691 -1.501 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.360 2.164 -2.333 1.00 0.00 H new ATOM 0 HG SER A 109 16.165 3.958 -3.564 1.00 0.00 H new ATOM 1639 N ILE A 110 12.684 2.993 0.004 1.00 0.00 N ATOM 1640 CA ILE A 110 12.116 2.528 1.250 1.00 0.00 C ATOM 1641 C ILE A 110 13.104 1.705 2.070 1.00 0.00 C ATOM 1642 O ILE A 110 13.323 0.517 1.815 1.00 0.00 O ATOM 1643 CB ILE A 110 10.833 1.730 1.027 1.00 0.00 C ATOM 1644 CG1 ILE A 110 9.713 2.635 0.545 1.00 0.00 C ATOM 1645 CG2 ILE A 110 10.439 1.059 2.307 1.00 0.00 C ATOM 1646 CD1 ILE A 110 9.840 3.116 -0.876 1.00 0.00 C ATOM 0 H ILE A 110 12.883 3.993 -0.008 1.00 0.00 H new ATOM 0 HA ILE A 110 11.873 3.425 1.819 1.00 0.00 H new ATOM 0 HB ILE A 110 11.013 0.977 0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 110 8.768 2.102 0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.662 3.503 1.202 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.523 0.488 2.152 1.00 0.00 H new ATOM 0 HG22 ILE A 110 11.236 0.387 2.626 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.271 1.813 3.076 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.991 3.754 -1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 110 10.764 3.683 -0.987 1.00 0.00 H new ATOM 0 HD13 ILE A 110 9.856 2.259 -1.550 1.00 0.00 H new ATOM 1658 N ASN A 111 13.702 2.349 3.055 1.00 0.00 N ATOM 1659 CA ASN A 111 14.565 1.668 4.007 1.00 0.00 C ATOM 1660 C ASN A 111 14.210 2.091 5.426 1.00 0.00 C ATOM 1661 O ASN A 111 13.799 3.229 5.657 1.00 0.00 O ATOM 1662 CB ASN A 111 16.042 1.978 3.728 1.00 0.00 C ATOM 1663 CG ASN A 111 16.580 1.333 2.457 1.00 0.00 C ATOM 1664 OD1 ASN A 111 16.137 0.120 2.162 1.00 0.00 O flip ATOM 1665 ND2 ASN A 111 17.410 1.918 1.757 1.00 0.00 N flip ATOM 0 H ASN A 111 13.606 3.351 3.219 1.00 0.00 H new ATOM 0 HA ASN A 111 14.411 0.594 3.899 1.00 0.00 H new ATOM 0 HB2 ASN A 111 16.169 3.058 3.657 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.640 1.642 4.575 1.00 0.00 H new ATOM 0 HD21 ASN A 111 17.728 2.852 2.016 1.00 0.00 H new ATOM 0 HD22 ASN A 111 17.779 1.468 0.919 1.00 0.00 H new ATOM 1672 N VAL A 112 14.329 1.163 6.362 1.00 0.00 N ATOM 1673 CA VAL A 112 14.124 1.451 7.775 1.00 0.00 C ATOM 1674 C VAL A 112 15.474 1.503 8.484 1.00 0.00 C ATOM 1675 O VAL A 112 15.713 0.746 9.422 1.00 0.00 O ATOM 1676 CB VAL A 112 13.252 0.369 8.456 1.00 0.00 C ATOM 1677 CG1 VAL A 112 12.771 0.836 9.825 1.00 0.00 C ATOM 1678 CG2 VAL A 112 12.074 -0.017 7.585 1.00 0.00 C ATOM 0 H VAL A 112 14.570 0.191 6.166 1.00 0.00 H new ATOM 0 HA VAL A 112 13.611 2.410 7.848 1.00 0.00 H new ATOM 0 HB VAL A 112 13.875 -0.515 8.594 1.00 0.00 H new ATOM 0 HG11 VAL A 112 12.161 0.057 10.281 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.631 1.043 10.462 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.177 1.743 9.712 1.00 0.00 H new ATOM 0 HG21 VAL A 112 11.481 -0.779 8.091 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.455 0.861 7.400 1.00 0.00 H new ATOM 0 HG23 VAL A 112 12.437 -0.411 6.636 1.00 0.00 H new ATOM 1688 N VAL A 113 16.356 2.386 8.010 1.00 0.00 N ATOM 1689 CA VAL A 113 17.743 2.476 8.482 1.00 0.00 C ATOM 1690 C VAL A 113 18.455 1.121 8.330 1.00 0.00 C ATOM 1691 O VAL A 113 17.877 0.179 7.778 1.00 0.00 O ATOM 1692 CB VAL A 113 17.831 3.011 9.950 1.00 0.00 C ATOM 1693 CG1 VAL A 113 17.841 1.898 10.994 1.00 0.00 C ATOM 1694 CG2 VAL A 113 19.041 3.915 10.117 1.00 0.00 C ATOM 0 H VAL A 113 16.128 3.064 7.283 1.00 0.00 H new ATOM 0 HA VAL A 113 18.259 3.203 7.855 1.00 0.00 H new ATOM 0 HB VAL A 113 16.924 3.590 10.125 1.00 0.00 H new ATOM 0 HG11 VAL A 113 17.903 2.335 11.991 1.00 0.00 H new ATOM 0 HG12 VAL A 113 16.925 1.313 10.911 1.00 0.00 H new ATOM 0 HG13 VAL A 113 18.702 1.250 10.827 1.00 0.00 H new ATOM 0 HG21 VAL A 113 19.085 4.277 11.144 1.00 0.00 H new ATOM 0 HG22 VAL A 113 19.948 3.355 9.890 1.00 0.00 H new ATOM 0 HG23 VAL A 113 18.959 4.763 9.437 1.00 0.00 H new ATOM 1704 N GLU A 114 19.712 1.046 8.772 1.00 0.00 N ATOM 1705 CA GLU A 114 20.500 -0.185 8.729 1.00 0.00 C ATOM 1706 C GLU A 114 20.339 -0.930 7.413 1.00 0.00 C ATOM 1707 O GLU A 114 19.626 -1.937 7.330 1.00 0.00 O ATOM 1708 CB GLU A 114 20.126 -1.086 9.894 1.00 0.00 C ATOM 1709 CG GLU A 114 20.609 -0.575 11.221 1.00 0.00 C ATOM 1710 CD GLU A 114 20.185 -1.457 12.370 1.00 0.00 C ATOM 1711 OE1 GLU A 114 20.934 -2.398 12.705 1.00 0.00 O ATOM 1712 OE2 GLU A 114 19.103 -1.222 12.946 1.00 0.00 O ATOM 0 H GLU A 114 20.213 1.840 9.171 1.00 0.00 H new ATOM 0 HA GLU A 114 21.549 0.099 8.811 1.00 0.00 H new ATOM 0 HB2 GLU A 114 19.042 -1.194 9.927 1.00 0.00 H new ATOM 0 HB3 GLU A 114 20.540 -2.080 9.723 1.00 0.00 H new ATOM 0 HG2 GLU A 114 21.696 -0.503 11.205 1.00 0.00 H new ATOM 0 HG3 GLU A 114 20.225 0.433 11.380 1.00 0.00 H new ATOM 1719 N GLU A 115 21.005 -0.426 6.395 1.00 0.00 N ATOM 1720 CA GLU A 115 20.929 -0.993 5.065 1.00 0.00 C ATOM 1721 C GLU A 115 21.429 -2.429 5.068 1.00 0.00 C ATOM 1722 O GLU A 115 22.560 -2.689 5.477 1.00 0.00 O ATOM 1723 CB GLU A 115 21.759 -0.148 4.109 1.00 0.00 C ATOM 1724 CG GLU A 115 21.537 -0.489 2.655 1.00 0.00 C ATOM 1725 CD GLU A 115 22.042 0.599 1.739 1.00 0.00 C ATOM 1726 OE1 GLU A 115 23.274 0.755 1.611 1.00 0.00 O ATOM 1727 OE2 GLU A 115 21.204 1.325 1.165 1.00 0.00 O ATOM 0 H GLU A 115 21.615 0.389 6.466 1.00 0.00 H new ATOM 0 HA GLU A 115 19.890 -0.996 4.737 1.00 0.00 H new ATOM 0 HB2 GLU A 115 21.522 0.904 4.267 1.00 0.00 H new ATOM 0 HB3 GLU A 115 22.815 -0.276 4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 115 22.043 -1.425 2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 115 20.473 -0.648 2.478 1.00 0.00 H new ATOM 1734 N PRO A 116 20.587 -3.380 4.626 1.00 0.00 N ATOM 1735 CA PRO A 116 20.947 -4.800 4.554 1.00 0.00 C ATOM 1736 C PRO A 116 21.969 -5.093 3.462 1.00 0.00 C ATOM 1737 O PRO A 116 21.838 -6.078 2.730 1.00 0.00 O ATOM 1738 CB PRO A 116 19.642 -5.511 4.215 1.00 0.00 C ATOM 1739 CG PRO A 116 18.571 -4.498 4.367 1.00 0.00 C ATOM 1740 CD PRO A 116 19.209 -3.152 4.181 1.00 0.00 C ATOM 0 HA PRO A 116 21.400 -5.126 5.490 1.00 0.00 H new ATOM 0 HB2 PRO A 116 19.665 -5.904 3.199 1.00 0.00 H new ATOM 0 HB3 PRO A 116 19.475 -6.358 4.881 1.00 0.00 H new ATOM 0 HG2 PRO A 116 17.783 -4.656 3.630 1.00 0.00 H new ATOM 0 HG3 PRO A 116 18.107 -4.572 5.351 1.00 0.00 H new ATOM 0 HD2 PRO A 116 19.169 -2.826 3.142 1.00 0.00 H new ATOM 0 HD3 PRO A 116 18.714 -2.384 4.776 1.00 0.00 H new ATOM 1748 N VAL A 117 22.989 -4.240 3.382 1.00 0.00 N ATOM 1749 CA VAL A 117 24.046 -4.333 2.381 1.00 0.00 C ATOM 1750 C VAL A 117 23.522 -4.001 0.995 1.00 0.00 C ATOM 1751 O VAL A 117 22.529 -4.566 0.530 1.00 0.00 O ATOM 1752 CB VAL A 117 24.711 -5.717 2.342 1.00 0.00 C ATOM 1753 CG1 VAL A 117 26.040 -5.651 1.606 1.00 0.00 C ATOM 1754 CG2 VAL A 117 24.883 -6.280 3.744 1.00 0.00 C ATOM 0 H VAL A 117 23.104 -3.454 4.021 1.00 0.00 H new ATOM 0 HA VAL A 117 24.798 -3.602 2.679 1.00 0.00 H new ATOM 0 HB VAL A 117 24.056 -6.395 1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 117 26.496 -6.641 1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 117 25.873 -5.310 0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 117 26.705 -4.954 2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 117 25.356 -7.260 3.687 1.00 0.00 H new ATOM 0 HG22 VAL A 117 25.509 -5.609 4.331 1.00 0.00 H new ATOM 0 HG23 VAL A 117 23.907 -6.375 4.220 1.00 0.00 H new ATOM 1764 N VAL A 118 24.191 -3.064 0.353 1.00 0.00 N ATOM 1765 CA VAL A 118 23.889 -2.708 -1.022 1.00 0.00 C ATOM 1766 C VAL A 118 24.008 -3.931 -1.934 1.00 0.00 C ATOM 1767 O VAL A 118 25.046 -4.597 -1.973 1.00 0.00 O ATOM 1768 CB VAL A 118 24.805 -1.575 -1.524 1.00 0.00 C ATOM 1769 CG1 VAL A 118 26.274 -1.943 -1.394 1.00 0.00 C ATOM 1770 CG2 VAL A 118 24.455 -1.236 -2.954 1.00 0.00 C ATOM 0 H VAL A 118 24.956 -2.530 0.766 1.00 0.00 H new ATOM 0 HA VAL A 118 22.861 -2.347 -1.051 1.00 0.00 H new ATOM 0 HB VAL A 118 24.641 -0.697 -0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 118 26.889 -1.120 -1.758 1.00 0.00 H new ATOM 0 HG12 VAL A 118 26.509 -2.137 -0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 118 26.479 -2.837 -1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 118 25.104 -0.435 -3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 118 24.592 -2.117 -3.581 1.00 0.00 H new ATOM 0 HG23 VAL A 118 23.416 -0.911 -3.007 1.00 0.00 H new ATOM 1780 N GLU A 119 22.919 -4.228 -2.634 1.00 0.00 N ATOM 1781 CA GLU A 119 22.854 -5.356 -3.559 1.00 0.00 C ATOM 1782 C GLU A 119 23.115 -6.680 -2.834 1.00 0.00 C ATOM 1783 O GLU A 119 24.057 -7.409 -3.150 1.00 0.00 O ATOM 1784 CB GLU A 119 23.842 -5.159 -4.716 1.00 0.00 C ATOM 1785 CG GLU A 119 23.590 -6.076 -5.903 1.00 0.00 C ATOM 1786 CD GLU A 119 22.181 -5.949 -6.446 1.00 0.00 C ATOM 1787 OE1 GLU A 119 21.727 -4.808 -6.678 1.00 0.00 O ATOM 1788 OE2 GLU A 119 21.515 -6.988 -6.638 1.00 0.00 O ATOM 0 H GLU A 119 22.053 -3.692 -2.577 1.00 0.00 H new ATOM 0 HA GLU A 119 21.846 -5.399 -3.973 1.00 0.00 H new ATOM 0 HB2 GLU A 119 23.791 -4.123 -5.052 1.00 0.00 H new ATOM 0 HB3 GLU A 119 24.855 -5.326 -4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 119 24.303 -5.845 -6.694 1.00 0.00 H new ATOM 0 HG3 GLU A 119 23.769 -7.109 -5.604 1.00 0.00 H new ATOM 1795 N ARG A 120 22.275 -6.979 -1.850 1.00 0.00 N ATOM 1796 CA ARG A 120 22.345 -8.247 -1.136 1.00 0.00 C ATOM 1797 C ARG A 120 21.739 -9.361 -1.981 1.00 0.00 C ATOM 1798 O ARG A 120 20.650 -9.862 -1.699 1.00 0.00 O ATOM 1799 CB ARG A 120 21.639 -8.154 0.206 1.00 0.00 C ATOM 1800 CG ARG A 120 21.902 -9.364 1.076 1.00 0.00 C ATOM 1801 CD ARG A 120 23.309 -9.364 1.659 1.00 0.00 C ATOM 1802 NE ARG A 120 24.297 -9.813 0.680 1.00 0.00 N ATOM 1803 CZ ARG A 120 25.589 -9.501 0.715 1.00 0.00 C ATOM 1804 NH1 ARG A 120 26.090 -8.849 1.754 1.00 0.00 N ATOM 1805 NH2 ARG A 120 26.386 -9.895 -0.267 1.00 0.00 N ATOM 0 H ARG A 120 21.534 -6.357 -1.528 1.00 0.00 H new ATOM 0 HA ARG A 120 23.394 -8.478 -0.950 1.00 0.00 H new ATOM 0 HB2 ARG A 120 21.970 -7.255 0.727 1.00 0.00 H new ATOM 0 HB3 ARG A 120 20.566 -8.052 0.044 1.00 0.00 H new ATOM 0 HG2 ARG A 120 21.175 -9.390 1.888 1.00 0.00 H new ATOM 0 HG3 ARG A 120 21.755 -10.270 0.488 1.00 0.00 H new ATOM 0 HD2 ARG A 120 23.563 -8.360 1.999 1.00 0.00 H new ATOM 0 HD3 ARG A 120 23.341 -10.014 2.534 1.00 0.00 H new ATOM 0 HE ARG A 120 23.973 -10.407 -0.083 1.00 0.00 H new ATOM 0 HH11 ARG A 120 25.484 -8.585 2.531 1.00 0.00 H new ATOM 0 HH12 ARG A 120 27.082 -8.611 1.777 1.00 0.00 H new ATOM 0 HH21 ARG A 120 26.008 -10.435 -1.045 1.00 0.00 H new ATOM 0 HH22 ARG A 120 27.378 -9.658 -0.245 1.00 0.00 H new ATOM 1819 N ASN A 121 22.446 -9.723 -3.036 1.00 0.00 N ATOM 1820 CA ASN A 121 22.009 -10.785 -3.925 1.00 0.00 C ATOM 1821 C ASN A 121 22.643 -12.105 -3.512 1.00 0.00 C ATOM 1822 O ASN A 121 23.848 -12.300 -3.674 1.00 0.00 O ATOM 1823 CB ASN A 121 22.388 -10.448 -5.363 1.00 0.00 C ATOM 1824 CG ASN A 121 21.769 -11.399 -6.365 1.00 0.00 C ATOM 1825 OD1 ASN A 121 20.655 -11.889 -6.173 1.00 0.00 O ATOM 1826 ND2 ASN A 121 22.489 -11.672 -7.435 1.00 0.00 N ATOM 0 H ASN A 121 23.333 -9.293 -3.300 1.00 0.00 H new ATOM 0 HA ASN A 121 20.925 -10.880 -3.858 1.00 0.00 H new ATOM 0 HB2 ASN A 121 22.071 -9.430 -5.590 1.00 0.00 H new ATOM 0 HB3 ASN A 121 23.473 -10.474 -5.465 1.00 0.00 H new ATOM 0 HD21 ASN A 121 22.128 -12.311 -8.143 1.00 0.00 H new ATOM 0 HD22 ASN A 121 23.407 -11.244 -7.555 1.00 0.00 H new ATOM 1833 N ASN A 122 21.838 -12.997 -2.964 1.00 0.00 N ATOM 1834 CA ASN A 122 22.332 -14.277 -2.473 1.00 0.00 C ATOM 1835 C ASN A 122 21.400 -15.392 -2.902 1.00 0.00 C ATOM 1836 O ASN A 122 20.566 -15.822 -2.077 1.00 0.00 O ATOM 1837 CB ASN A 122 22.455 -14.261 -0.946 1.00 0.00 C ATOM 1838 CG ASN A 122 23.628 -13.438 -0.459 1.00 0.00 C ATOM 1839 OD1 ASN A 122 23.524 -12.225 -0.287 1.00 0.00 O ATOM 1840 ND2 ASN A 122 24.750 -14.096 -0.210 1.00 0.00 N ATOM 1841 OXT ASN A 122 21.477 -15.804 -4.077 1.00 0.00 O ATOM 0 H ASN A 122 20.834 -12.860 -2.846 1.00 0.00 H new ATOM 0 HA ASN A 122 23.320 -14.450 -2.899 1.00 0.00 H new ATOM 0 HB2 ASN A 122 21.535 -13.864 -0.516 1.00 0.00 H new ATOM 0 HB3 ASN A 122 22.560 -15.284 -0.584 1.00 0.00 H new ATOM 0 HD21 ASN A 122 25.568 -13.596 0.138 1.00 0.00 H new ATOM 0 HD22 ASN A 122 24.796 -15.103 -0.366 1.00 0.00 H new TER 1848 ASN A 122 ATOM 1849 N GLY B 493 -4.615 -13.621 -12.871 1.00 0.00 N ATOM 1850 CA GLY B 493 -3.437 -14.219 -12.205 1.00 0.00 C ATOM 1851 C GLY B 493 -3.487 -14.036 -10.706 1.00 0.00 C ATOM 1852 O GLY B 493 -4.382 -13.361 -10.197 1.00 0.00 O ATOM 0 HA2 GLY B 493 -3.387 -15.282 -12.440 1.00 0.00 H new ATOM 0 HA3 GLY B 493 -2.528 -13.763 -12.597 1.00 0.00 H new ATOM 1858 N PRO B 494 -2.532 -14.629 -9.973 1.00 0.00 N ATOM 1859 CA PRO B 494 -2.454 -14.509 -8.513 1.00 0.00 C ATOM 1860 C PRO B 494 -2.285 -13.064 -8.055 1.00 0.00 C ATOM 1861 O PRO B 494 -2.607 -12.721 -6.914 1.00 0.00 O ATOM 1862 CB PRO B 494 -1.218 -15.337 -8.138 1.00 0.00 C ATOM 1863 CG PRO B 494 -0.450 -15.499 -9.405 1.00 0.00 C ATOM 1864 CD PRO B 494 -1.464 -15.482 -10.512 1.00 0.00 C ATOM 0 HA PRO B 494 -3.370 -14.855 -8.035 1.00 0.00 H new ATOM 0 HB2 PRO B 494 -0.621 -14.831 -7.379 1.00 0.00 H new ATOM 0 HB3 PRO B 494 -1.504 -16.305 -7.725 1.00 0.00 H new ATOM 0 HG2 PRO B 494 0.274 -14.693 -9.527 1.00 0.00 H new ATOM 0 HG3 PRO B 494 0.110 -16.434 -9.404 1.00 0.00 H new ATOM 0 HD2 PRO B 494 -1.048 -15.074 -11.433 1.00 0.00 H new ATOM 0 HD3 PRO B 494 -1.826 -16.484 -10.742 1.00 0.00 H new ATOM 1872 N ASP B 495 -1.778 -12.222 -8.948 1.00 0.00 N ATOM 1873 CA ASP B 495 -1.581 -10.814 -8.637 1.00 0.00 C ATOM 1874 C ASP B 495 -2.915 -10.104 -8.488 1.00 0.00 C ATOM 1875 O ASP B 495 -3.150 -9.433 -7.495 1.00 0.00 O ATOM 1876 CB ASP B 495 -0.729 -10.129 -9.715 1.00 0.00 C ATOM 1877 CG ASP B 495 -1.379 -10.118 -11.085 1.00 0.00 C ATOM 1878 OD1 ASP B 495 -1.538 -11.205 -11.687 1.00 0.00 O ATOM 1879 OD2 ASP B 495 -1.732 -9.028 -11.574 1.00 0.00 O ATOM 0 H ASP B 495 -1.497 -12.490 -9.891 1.00 0.00 H new ATOM 0 HA ASP B 495 -1.048 -10.752 -7.688 1.00 0.00 H new ATOM 0 HB2 ASP B 495 -0.527 -9.102 -9.409 1.00 0.00 H new ATOM 0 HB3 ASP B 495 0.233 -10.636 -9.783 1.00 0.00 H new ATOM 1884 N ALA B 496 -3.818 -10.265 -9.427 1.00 0.00 N ATOM 1885 CA ALA B 496 -5.106 -9.645 -9.252 1.00 0.00 C ATOM 1886 C ALA B 496 -5.792 -10.241 -8.052 1.00 0.00 C ATOM 1887 O ALA B 496 -5.986 -11.450 -7.960 1.00 0.00 O ATOM 1888 CB ALA B 496 -5.973 -9.710 -10.486 1.00 0.00 C ATOM 0 H ALA B 496 -3.692 -10.799 -10.287 1.00 0.00 H new ATOM 0 HA ALA B 496 -4.940 -8.582 -9.079 1.00 0.00 H new ATOM 0 HB1 ALA B 496 -6.928 -9.225 -10.285 1.00 0.00 H new ATOM 0 HB2 ALA B 496 -5.473 -9.200 -11.309 1.00 0.00 H new ATOM 0 HB3 ALA B 496 -6.145 -10.752 -10.756 1.00 0.00 H new ATOM 1894 N VAL B 497 -6.052 -9.383 -7.096 1.00 0.00 N ATOM 1895 CA VAL B 497 -6.801 -9.760 -5.906 1.00 0.00 C ATOM 1896 C VAL B 497 -8.264 -9.599 -6.202 1.00 0.00 C ATOM 1897 O VAL B 497 -8.729 -8.517 -6.514 1.00 0.00 O ATOM 1898 CB VAL B 497 -6.392 -8.910 -4.659 1.00 0.00 C ATOM 1899 CG1 VAL B 497 -5.223 -8.036 -4.999 1.00 0.00 C ATOM 1900 CG2 VAL B 497 -7.544 -8.053 -4.130 1.00 0.00 C ATOM 0 H VAL B 497 -5.756 -8.407 -7.113 1.00 0.00 H new ATOM 0 HA VAL B 497 -6.575 -10.797 -5.659 1.00 0.00 H new ATOM 0 HB VAL B 497 -6.119 -9.609 -3.868 1.00 0.00 H new ATOM 0 HG11 VAL B 497 -4.943 -7.447 -4.126 1.00 0.00 H new ATOM 0 HG12 VAL B 497 -4.380 -8.657 -5.303 1.00 0.00 H new ATOM 0 HG13 VAL B 497 -5.494 -7.368 -5.816 1.00 0.00 H new ATOM 0 HG21 VAL B 497 -7.206 -7.483 -3.264 1.00 0.00 H new ATOM 0 HG22 VAL B 497 -7.875 -7.367 -4.910 1.00 0.00 H new ATOM 0 HG23 VAL B 497 -8.373 -8.698 -3.839 1.00 0.00 H new ATOM 1910 N ILE B 498 -9.008 -10.662 -6.172 1.00 0.00 N ATOM 1911 CA ILE B 498 -10.368 -10.512 -6.569 1.00 0.00 C ATOM 1912 C ILE B 498 -11.195 -10.362 -5.326 1.00 0.00 C ATOM 1913 O ILE B 498 -11.792 -11.322 -4.839 1.00 0.00 O ATOM 1914 CB ILE B 498 -10.951 -11.628 -7.461 1.00 0.00 C ATOM 1915 CG1 ILE B 498 -10.062 -12.054 -8.651 1.00 0.00 C ATOM 1916 CG2 ILE B 498 -12.297 -11.161 -8.005 1.00 0.00 C ATOM 1917 CD1 ILE B 498 -8.726 -11.386 -8.775 1.00 0.00 C ATOM 0 H ILE B 498 -8.714 -11.598 -5.891 1.00 0.00 H new ATOM 0 HA ILE B 498 -10.399 -9.630 -7.209 1.00 0.00 H new ATOM 0 HB ILE B 498 -11.033 -12.507 -6.821 1.00 0.00 H new ATOM 0 HG12 ILE B 498 -9.898 -13.130 -8.584 1.00 0.00 H new ATOM 0 HG13 ILE B 498 -10.618 -11.873 -9.571 1.00 0.00 H new ATOM 0 HG21 ILE B 498 -12.723 -11.939 -8.638 1.00 0.00 H new ATOM 0 HG22 ILE B 498 -12.974 -10.957 -7.175 1.00 0.00 H new ATOM 0 HG23 ILE B 498 -12.157 -10.252 -8.591 1.00 0.00 H new ATOM 0 HD11 ILE B 498 -8.205 -11.775 -9.650 1.00 0.00 H new ATOM 0 HD12 ILE B 498 -8.866 -10.311 -8.884 1.00 0.00 H new ATOM 0 HD13 ILE B 498 -8.135 -11.586 -7.881 1.00 0.00 H new ATOM 1929 N ILE B 499 -11.211 -9.156 -4.787 1.00 0.00 N ATOM 1930 CA ILE B 499 -11.872 -8.952 -3.531 1.00 0.00 C ATOM 1931 C ILE B 499 -13.348 -8.707 -3.784 1.00 0.00 C ATOM 1932 O ILE B 499 -13.787 -7.578 -4.023 1.00 0.00 O ATOM 1933 CB ILE B 499 -11.206 -7.825 -2.689 1.00 0.00 C ATOM 1934 CG1 ILE B 499 -9.990 -8.366 -1.929 1.00 0.00 C ATOM 1935 CG2 ILE B 499 -12.186 -7.194 -1.716 1.00 0.00 C ATOM 1936 CD1 ILE B 499 -10.059 -9.844 -1.612 1.00 0.00 C ATOM 0 H ILE B 499 -10.781 -8.326 -5.196 1.00 0.00 H new ATOM 0 HA ILE B 499 -11.771 -9.852 -2.924 1.00 0.00 H new ATOM 0 HB ILE B 499 -10.879 -7.052 -3.385 1.00 0.00 H new ATOM 0 HG12 ILE B 499 -9.093 -8.175 -2.519 1.00 0.00 H new ATOM 0 HG13 ILE B 499 -9.883 -7.811 -0.997 1.00 0.00 H new ATOM 0 HG21 ILE B 499 -11.682 -6.412 -1.148 1.00 0.00 H new ATOM 0 HG22 ILE B 499 -13.020 -6.761 -2.269 1.00 0.00 H new ATOM 0 HG23 ILE B 499 -12.561 -7.955 -1.032 1.00 0.00 H new ATOM 0 HD11 ILE B 499 -9.159 -10.143 -1.074 1.00 0.00 H new ATOM 0 HD12 ILE B 499 -10.935 -10.043 -0.994 1.00 0.00 H new ATOM 0 HD13 ILE B 499 -10.133 -10.412 -2.539 1.00 0.00 H new ATOM 1948 N GLY B 500 -14.083 -9.819 -3.769 1.00 0.00 N ATOM 1949 CA GLY B 500 -15.517 -9.821 -3.980 1.00 0.00 C ATOM 1950 C GLY B 500 -15.969 -8.945 -5.122 1.00 0.00 C ATOM 1951 O GLY B 500 -15.987 -9.375 -6.279 1.00 0.00 O ATOM 0 H GLY B 500 -13.690 -10.747 -3.608 1.00 0.00 H new ATOM 0 HA2 GLY B 500 -15.845 -10.843 -4.168 1.00 0.00 H new ATOM 0 HA3 GLY B 500 -16.009 -9.491 -3.065 1.00 0.00 H new ATOM 1955 N MET B 501 -16.343 -7.717 -4.772 1.00 0.00 N ATOM 1956 CA MET B 501 -16.797 -6.722 -5.702 1.00 0.00 C ATOM 1957 C MET B 501 -15.870 -6.590 -6.901 1.00 0.00 C ATOM 1958 O MET B 501 -16.333 -6.544 -8.041 1.00 0.00 O ATOM 1959 CB MET B 501 -16.894 -5.382 -4.980 1.00 0.00 C ATOM 1960 CG MET B 501 -17.677 -4.362 -5.749 1.00 0.00 C ATOM 1961 SD MET B 501 -17.294 -2.665 -5.274 1.00 0.00 S ATOM 1962 CE MET B 501 -15.612 -2.516 -5.876 1.00 0.00 C ATOM 0 H MET B 501 -16.333 -7.392 -3.805 1.00 0.00 H new ATOM 0 HA MET B 501 -17.772 -7.030 -6.079 1.00 0.00 H new ATOM 0 HB2 MET B 501 -17.360 -5.532 -4.006 1.00 0.00 H new ATOM 0 HB3 MET B 501 -15.890 -5.000 -4.797 1.00 0.00 H new ATOM 0 HG2 MET B 501 -17.478 -4.488 -6.813 1.00 0.00 H new ATOM 0 HG3 MET B 501 -18.742 -4.543 -5.600 1.00 0.00 H new ATOM 0 HE1 MET B 501 -15.296 -1.474 -5.819 1.00 0.00 H new ATOM 0 HE2 MET B 501 -14.951 -3.130 -5.264 1.00 0.00 H new ATOM 0 HE3 MET B 501 -15.565 -2.853 -6.912 1.00 0.00 H new ATOM 1972 N THR B 502 -14.565 -6.541 -6.661 1.00 0.00 N ATOM 1973 CA THR B 502 -13.654 -6.229 -7.749 1.00 0.00 C ATOM 1974 C THR B 502 -12.345 -7.006 -7.718 1.00 0.00 C ATOM 1975 O THR B 502 -11.779 -7.278 -6.662 1.00 0.00 O ATOM 1976 CB THR B 502 -13.391 -4.713 -7.781 1.00 0.00 C ATOM 1977 OG1 THR B 502 -14.337 -4.058 -8.631 1.00 0.00 O ATOM 1978 CG2 THR B 502 -12.002 -4.392 -8.251 1.00 0.00 C ATOM 0 H THR B 502 -14.127 -6.707 -5.755 1.00 0.00 H new ATOM 0 HA THR B 502 -14.149 -6.548 -8.666 1.00 0.00 H new ATOM 0 HB THR B 502 -13.498 -4.352 -6.758 1.00 0.00 H new ATOM 0 HG1 THR B 502 -15.166 -4.580 -8.662 1.00 0.00 H new ATOM 0 HG21 THR B 502 -11.861 -3.311 -8.258 1.00 0.00 H new ATOM 0 HG22 THR B 502 -11.276 -4.849 -7.579 1.00 0.00 H new ATOM 0 HG23 THR B 502 -11.859 -4.783 -9.258 1.00 0.00 H new ATOM 1986 N LYS B 503 -11.903 -7.386 -8.914 1.00 0.00 N ATOM 1987 CA LYS B 503 -10.595 -7.955 -9.111 1.00 0.00 C ATOM 1988 C LYS B 503 -9.534 -6.883 -9.282 1.00 0.00 C ATOM 1989 O LYS B 503 -9.551 -6.131 -10.246 1.00 0.00 O ATOM 1990 CB LYS B 503 -10.615 -8.896 -10.311 1.00 0.00 C ATOM 1991 CG LYS B 503 -9.300 -8.972 -11.070 1.00 0.00 C ATOM 1992 CD LYS B 503 -9.139 -10.289 -11.810 1.00 0.00 C ATOM 1993 CE LYS B 503 -10.451 -10.783 -12.395 1.00 0.00 C ATOM 1994 NZ LYS B 503 -10.809 -10.064 -13.642 1.00 0.00 N ATOM 0 H LYS B 503 -12.452 -7.303 -9.769 1.00 0.00 H new ATOM 0 HA LYS B 503 -10.334 -8.522 -8.218 1.00 0.00 H new ATOM 0 HB2 LYS B 503 -10.882 -9.896 -9.969 1.00 0.00 H new ATOM 0 HB3 LYS B 503 -11.399 -8.574 -10.997 1.00 0.00 H new ATOM 0 HG2 LYS B 503 -9.245 -8.148 -11.782 1.00 0.00 H new ATOM 0 HG3 LYS B 503 -8.472 -8.846 -10.372 1.00 0.00 H new ATOM 0 HD2 LYS B 503 -8.409 -10.167 -12.611 1.00 0.00 H new ATOM 0 HD3 LYS B 503 -8.741 -11.041 -11.128 1.00 0.00 H new ATOM 0 HE2 LYS B 503 -10.377 -11.851 -12.601 1.00 0.00 H new ATOM 0 HE3 LYS B 503 -11.247 -10.654 -11.661 1.00 0.00 H new ATOM 0 HZ1 LYS B 503 -11.710 -10.432 -14.008 1.00 0.00 H new ATOM 0 HZ2 LYS B 503 -10.905 -9.048 -13.442 1.00 0.00 H new ATOM 0 HZ3 LYS B 503 -10.063 -10.208 -14.352 1.00 0.00 H new ATOM 2008 N ILE B 504 -8.601 -6.850 -8.345 1.00 0.00 N ATOM 2009 CA ILE B 504 -7.562 -5.859 -8.319 1.00 0.00 C ATOM 2010 C ILE B 504 -6.304 -6.357 -8.959 1.00 0.00 C ATOM 2011 O ILE B 504 -5.557 -7.114 -8.357 1.00 0.00 O ATOM 2012 CB ILE B 504 -7.199 -5.462 -6.898 1.00 0.00 C ATOM 2013 CG1 ILE B 504 -8.437 -5.037 -6.157 1.00 0.00 C ATOM 2014 CG2 ILE B 504 -6.210 -4.329 -6.929 1.00 0.00 C ATOM 2015 CD1 ILE B 504 -8.132 -4.247 -4.921 1.00 0.00 C ATOM 0 H ILE B 504 -8.551 -7.521 -7.578 1.00 0.00 H new ATOM 0 HA ILE B 504 -7.961 -5.006 -8.868 1.00 0.00 H new ATOM 0 HB ILE B 504 -6.753 -6.316 -6.387 1.00 0.00 H new ATOM 0 HG12 ILE B 504 -9.064 -4.440 -6.819 1.00 0.00 H new ATOM 0 HG13 ILE B 504 -9.013 -5.921 -5.884 1.00 0.00 H new ATOM 0 HG21 ILE B 504 -5.950 -4.045 -5.909 1.00 0.00 H new ATOM 0 HG22 ILE B 504 -5.311 -4.645 -7.458 1.00 0.00 H new ATOM 0 HG23 ILE B 504 -6.651 -3.475 -7.442 1.00 0.00 H new ATOM 0 HD11 ILE B 504 -9.063 -3.968 -4.428 1.00 0.00 H new ATOM 0 HD12 ILE B 504 -7.529 -4.851 -4.243 1.00 0.00 H new ATOM 0 HD13 ILE B 504 -7.581 -3.346 -5.192 1.00 0.00 H new ATOM 2027 N PRO B 505 -6.011 -5.876 -10.143 1.00 0.00 N ATOM 2028 CA PRO B 505 -4.810 -6.235 -10.838 1.00 0.00 C ATOM 2029 C PRO B 505 -3.649 -5.466 -10.232 1.00 0.00 C ATOM 2030 O PRO B 505 -3.464 -4.267 -10.476 1.00 0.00 O ATOM 2031 CB PRO B 505 -5.129 -5.825 -12.267 1.00 0.00 C ATOM 2032 CG PRO B 505 -6.027 -4.650 -12.124 1.00 0.00 C ATOM 2033 CD PRO B 505 -6.787 -4.868 -10.856 1.00 0.00 C ATOM 0 HA PRO B 505 -4.520 -7.284 -10.781 1.00 0.00 H new ATOM 0 HB2 PRO B 505 -4.224 -5.569 -12.818 1.00 0.00 H new ATOM 0 HB3 PRO B 505 -5.616 -6.633 -12.813 1.00 0.00 H new ATOM 0 HG2 PRO B 505 -5.454 -3.723 -12.082 1.00 0.00 H new ATOM 0 HG3 PRO B 505 -6.703 -4.569 -12.975 1.00 0.00 H new ATOM 0 HD2 PRO B 505 -6.870 -3.947 -10.278 1.00 0.00 H new ATOM 0 HD3 PRO B 505 -7.802 -5.213 -11.054 1.00 0.00 H new ATOM 2041 N VAL B 506 -2.939 -6.134 -9.345 1.00 0.00 N ATOM 2042 CA VAL B 506 -1.862 -5.499 -8.622 1.00 0.00 C ATOM 2043 C VAL B 506 -0.520 -5.706 -9.321 1.00 0.00 C ATOM 2044 O VAL B 506 -0.416 -6.443 -10.296 1.00 0.00 O ATOM 2045 CB VAL B 506 -1.783 -6.057 -7.194 1.00 0.00 C ATOM 2046 CG1 VAL B 506 -3.123 -5.966 -6.475 1.00 0.00 C ATOM 2047 CG2 VAL B 506 -1.337 -7.478 -7.235 1.00 0.00 C ATOM 0 H VAL B 506 -3.090 -7.115 -9.110 1.00 0.00 H new ATOM 0 HA VAL B 506 -2.072 -4.430 -8.590 1.00 0.00 H new ATOM 0 HB VAL B 506 -1.064 -5.453 -6.641 1.00 0.00 H new ATOM 0 HG11 VAL B 506 -3.024 -6.371 -5.468 1.00 0.00 H new ATOM 0 HG12 VAL B 506 -3.435 -4.923 -6.417 1.00 0.00 H new ATOM 0 HG13 VAL B 506 -3.870 -6.538 -7.024 1.00 0.00 H new ATOM 0 HG21 VAL B 506 -1.282 -7.871 -6.220 1.00 0.00 H new ATOM 0 HG22 VAL B 506 -2.049 -8.066 -7.814 1.00 0.00 H new ATOM 0 HG23 VAL B 506 -0.353 -7.537 -7.701 1.00 0.00 H new ATOM 2057 N ILE B 507 0.490 -5.025 -8.810 1.00 0.00 N ATOM 2058 CA ILE B 507 1.854 -5.109 -9.314 1.00 0.00 C ATOM 2059 C ILE B 507 2.776 -5.443 -8.147 1.00 0.00 C ATOM 2060 O ILE B 507 2.344 -5.359 -7.003 1.00 0.00 O ATOM 2061 CB ILE B 507 2.274 -3.781 -9.967 1.00 0.00 C ATOM 2062 CG1 ILE B 507 2.512 -2.737 -8.914 1.00 0.00 C ATOM 2063 CG2 ILE B 507 1.168 -3.283 -10.869 1.00 0.00 C ATOM 2064 CD1 ILE B 507 3.086 -1.445 -9.441 1.00 0.00 C ATOM 0 H ILE B 507 0.387 -4.387 -8.021 1.00 0.00 H new ATOM 0 HA ILE B 507 1.919 -5.886 -10.075 1.00 0.00 H new ATOM 0 HB ILE B 507 3.186 -3.955 -10.537 1.00 0.00 H new ATOM 0 HG12 ILE B 507 1.569 -2.524 -8.410 1.00 0.00 H new ATOM 0 HG13 ILE B 507 3.190 -3.143 -8.163 1.00 0.00 H new ATOM 0 HG21 ILE B 507 1.470 -2.342 -11.329 1.00 0.00 H new ATOM 0 HG22 ILE B 507 0.973 -4.021 -11.647 1.00 0.00 H new ATOM 0 HG23 ILE B 507 0.263 -3.126 -10.282 1.00 0.00 H new ATOM 0 HD11 ILE B 507 3.227 -0.746 -8.616 1.00 0.00 H new ATOM 0 HD12 ILE B 507 4.046 -1.641 -9.918 1.00 0.00 H new ATOM 0 HD13 ILE B 507 2.400 -1.013 -10.170 1.00 0.00 H new ATOM 2076 N GLU B 508 4.019 -5.825 -8.405 1.00 0.00 N ATOM 2077 CA GLU B 508 4.890 -6.256 -7.314 1.00 0.00 C ATOM 2078 C GLU B 508 6.031 -5.268 -7.052 1.00 0.00 C ATOM 2079 O GLU B 508 6.643 -4.729 -7.979 1.00 0.00 O ATOM 2080 CB GLU B 508 5.387 -7.678 -7.554 1.00 0.00 C ATOM 2081 CG GLU B 508 4.230 -8.657 -7.615 1.00 0.00 C ATOM 2082 CD GLU B 508 4.573 -10.053 -7.139 1.00 0.00 C ATOM 2083 OE1 GLU B 508 5.421 -10.714 -7.768 1.00 0.00 O ATOM 2084 OE2 GLU B 508 3.965 -10.511 -6.144 1.00 0.00 O ATOM 0 H GLU B 508 4.441 -5.847 -9.333 1.00 0.00 H new ATOM 0 HA GLU B 508 4.298 -6.266 -6.399 1.00 0.00 H new ATOM 0 HB2 GLU B 508 5.950 -7.717 -8.486 1.00 0.00 H new ATOM 0 HB3 GLU B 508 6.071 -7.967 -6.756 1.00 0.00 H new ATOM 0 HG2 GLU B 508 3.409 -8.271 -7.011 1.00 0.00 H new ATOM 0 HG3 GLU B 508 3.870 -8.714 -8.642 1.00 0.00 H new ATOM 2091 N ASN B 509 6.302 -5.060 -5.762 1.00 0.00 N ATOM 2092 CA ASN B 509 7.108 -3.933 -5.274 1.00 0.00 C ATOM 2093 C ASN B 509 8.579 -4.016 -5.658 1.00 0.00 C ATOM 2094 O ASN B 509 9.205 -5.076 -5.630 1.00 0.00 O ATOM 2095 CB ASN B 509 6.979 -3.811 -3.750 1.00 0.00 C ATOM 2096 CG ASN B 509 7.705 -4.898 -2.965 1.00 0.00 C ATOM 2097 OD1 ASN B 509 8.077 -4.579 -1.735 1.00 0.00 O flip ATOM 2098 ND2 ASN B 509 7.904 -6.018 -3.435 1.00 0.00 N flip ATOM 0 H ASN B 509 5.967 -5.673 -5.019 1.00 0.00 H new ATOM 0 HA ASN B 509 6.709 -3.045 -5.763 1.00 0.00 H new ATOM 0 HB2 ASN B 509 7.365 -2.839 -3.442 1.00 0.00 H new ATOM 0 HB3 ASN B 509 5.922 -3.833 -3.485 1.00 0.00 H new ATOM 0 HD21 ASN B 509 7.605 -6.232 -4.386 1.00 0.00 H new ATOM 0 HD22 ASN B 509 8.368 -6.732 -2.873 1.00 0.00 H new ATOM 2105 N PRO B 510 9.146 -2.858 -6.008 1.00 0.00 N ATOM 2106 CA PRO B 510 10.562 -2.715 -6.317 1.00 0.00 C ATOM 2107 C PRO B 510 11.422 -2.649 -5.062 1.00 0.00 C ATOM 2108 O PRO B 510 12.639 -2.534 -5.143 1.00 0.00 O ATOM 2109 CB PRO B 510 10.611 -1.399 -7.062 1.00 0.00 C ATOM 2110 CG PRO B 510 9.518 -0.597 -6.452 1.00 0.00 C ATOM 2111 CD PRO B 510 8.427 -1.577 -6.140 1.00 0.00 C ATOM 0 HA PRO B 510 10.952 -3.562 -6.882 1.00 0.00 H new ATOM 0 HB2 PRO B 510 11.578 -0.910 -6.944 1.00 0.00 H new ATOM 0 HB3 PRO B 510 10.453 -1.540 -8.131 1.00 0.00 H new ATOM 0 HG2 PRO B 510 9.860 -0.090 -5.550 1.00 0.00 H new ATOM 0 HG3 PRO B 510 9.168 0.175 -7.138 1.00 0.00 H new ATOM 0 HD2 PRO B 510 7.902 -1.315 -5.222 1.00 0.00 H new ATOM 0 HD3 PRO B 510 7.681 -1.615 -6.934 1.00 0.00 H new ATOM 2119 N GLN B 511 10.786 -2.714 -3.898 1.00 0.00 N ATOM 2120 CA GLN B 511 11.516 -2.709 -2.634 1.00 0.00 C ATOM 2121 C GLN B 511 12.367 -3.966 -2.521 1.00 0.00 C ATOM 2122 O GLN B 511 13.464 -3.951 -1.972 1.00 0.00 O ATOM 2123 CB GLN B 511 10.549 -2.614 -1.452 1.00 0.00 C ATOM 2124 CG GLN B 511 9.935 -1.235 -1.229 1.00 0.00 C ATOM 2125 CD GLN B 511 9.752 -0.443 -2.500 1.00 0.00 C ATOM 2126 OE1 GLN B 511 8.742 -0.573 -3.170 1.00 0.00 O ATOM 2127 NE2 GLN B 511 10.727 0.387 -2.835 1.00 0.00 N ATOM 0 H GLN B 511 9.772 -2.771 -3.802 1.00 0.00 H new ATOM 0 HA GLN B 511 12.168 -1.836 -2.612 1.00 0.00 H new ATOM 0 HB2 GLN B 511 9.744 -3.333 -1.602 1.00 0.00 H new ATOM 0 HB3 GLN B 511 11.077 -2.911 -0.546 1.00 0.00 H new ATOM 0 HG2 GLN B 511 8.967 -1.352 -0.741 1.00 0.00 H new ATOM 0 HG3 GLN B 511 10.570 -0.670 -0.547 1.00 0.00 H new ATOM 0 HE21 GLN B 511 11.556 0.465 -2.245 1.00 0.00 H new ATOM 0 HE22 GLN B 511 10.650 0.949 -3.683 1.00 0.00 H new HETATM 2136 N PTR B 512 11.835 -5.053 -3.058 1.00 0.00 N HETATM 2137 CA PTR B 512 12.547 -6.318 -3.118 1.00 0.00 C HETATM 2138 C PTR B 512 13.383 -6.434 -4.392 1.00 0.00 C HETATM 2139 O PTR B 512 14.545 -6.832 -4.343 1.00 0.00 O HETATM 2140 CB PTR B 512 11.555 -7.473 -3.071 1.00 0.00 C HETATM 2141 CG PTR B 512 11.036 -7.805 -1.692 1.00 0.00 C HETATM 2142 CD1 PTR B 512 10.286 -6.896 -0.947 1.00 0.00 C HETATM 2143 CD2 PTR B 512 11.278 -9.053 -1.149 1.00 0.00 C HETATM 2144 CE1 PTR B 512 9.787 -7.232 0.291 1.00 0.00 C HETATM 2145 CE2 PTR B 512 10.795 -9.394 0.090 1.00 0.00 C HETATM 2146 CZ PTR B 512 10.047 -8.491 0.806 1.00 0.00 C HETATM 2147 OH PTR B 512 9.524 -8.868 2.017 1.00 0.00 O HETATM 2148 P PTR B 512 8.270 -9.906 1.995 1.00 0.00 P HETATM 2149 O1P PTR B 512 8.663 -10.989 2.971 1.00 0.00 O HETATM 2150 O2P PTR B 512 8.081 -10.288 0.454 1.00 0.00 O HETATM 2151 O3P PTR B 512 7.149 -9.102 2.622 1.00 0.00 O HETATM 0 HE2 PTR B 512 11.005 -10.380 0.505 1.00 0.00 H new HETATM 0 HE1 PTR B 512 9.194 -6.515 0.859 1.00 0.00 H new HETATM 0 HD2 PTR B 512 11.862 -9.779 -1.714 1.00 0.00 H new HETATM 0 HD1 PTR B 512 10.092 -5.903 -1.352 1.00 0.00 H new HETATM 0 HB3 PTR B 512 10.709 -7.233 -3.715 1.00 0.00 H new HETATM 0 HB2 PTR B 512 12.031 -8.360 -3.488 1.00 0.00 H new HETATM 0 HA PTR B 512 13.217 -6.359 -2.259 1.00 0.00 H new ATOM 2161 N PHE B 513 12.782 -6.095 -5.529 1.00 0.00 N ATOM 2162 CA PHE B 513 13.434 -6.276 -6.826 1.00 0.00 C ATOM 2163 C PHE B 513 14.529 -5.242 -7.077 1.00 0.00 C ATOM 2164 O PHE B 513 15.478 -5.498 -7.820 1.00 0.00 O ATOM 2165 CB PHE B 513 12.413 -6.204 -7.951 1.00 0.00 C ATOM 2166 CG PHE B 513 11.470 -7.356 -8.004 1.00 0.00 C ATOM 2167 CD1 PHE B 513 11.879 -8.533 -8.582 1.00 0.00 C ATOM 2168 CD2 PHE B 513 10.181 -7.260 -7.511 1.00 0.00 C ATOM 2169 CE1 PHE B 513 11.031 -9.603 -8.671 1.00 0.00 C ATOM 2170 CE2 PHE B 513 9.318 -8.335 -7.592 1.00 0.00 C ATOM 2171 CZ PHE B 513 9.745 -9.512 -8.176 1.00 0.00 C ATOM 0 H PHE B 513 11.846 -5.694 -5.580 1.00 0.00 H new ATOM 0 HA PHE B 513 13.899 -7.262 -6.806 1.00 0.00 H new ATOM 0 HB2 PHE B 513 11.838 -5.284 -7.844 1.00 0.00 H new ATOM 0 HB3 PHE B 513 12.942 -6.140 -8.902 1.00 0.00 H new ATOM 0 HD1 PHE B 513 12.883 -8.615 -8.971 1.00 0.00 H new ATOM 0 HD2 PHE B 513 9.847 -6.337 -7.059 1.00 0.00 H new ATOM 0 HE1 PHE B 513 11.368 -10.521 -9.129 1.00 0.00 H new ATOM 0 HE2 PHE B 513 8.314 -8.256 -7.201 1.00 0.00 H new ATOM 0 HZ PHE B 513 9.076 -10.357 -8.245 1.00 0.00 H new ATOM 2181 N GLY B 514 14.391 -4.077 -6.470 1.00 0.00 N ATOM 2182 CA GLY B 514 15.326 -2.998 -6.709 1.00 0.00 C ATOM 2183 C GLY B 514 14.675 -1.854 -7.459 1.00 0.00 C ATOM 2184 O GLY B 514 14.662 -0.717 -6.988 1.00 0.00 O ATOM 0 H GLY B 514 13.644 -3.857 -5.812 1.00 0.00 H new ATOM 0 HA2 GLY B 514 15.716 -2.636 -5.758 1.00 0.00 H new ATOM 0 HA3 GLY B 514 16.176 -3.372 -7.280 1.00 0.00 H new ATOM 2188 N ILE B 515 14.128 -2.159 -8.627 1.00 0.00 N ATOM 2189 CA ILE B 515 13.416 -1.175 -9.426 1.00 0.00 C ATOM 2190 C ILE B 515 12.394 -1.873 -10.318 1.00 0.00 C ATOM 2191 O ILE B 515 11.301 -1.319 -10.523 1.00 0.00 O ATOM 2192 CB ILE B 515 14.375 -0.312 -10.285 1.00 0.00 C ATOM 2193 CG1 ILE B 515 13.593 0.755 -11.060 1.00 0.00 C ATOM 2194 CG2 ILE B 515 15.181 -1.183 -11.236 1.00 0.00 C ATOM 2195 CD1 ILE B 515 14.470 1.703 -11.850 1.00 0.00 C ATOM 2196 OXT ILE B 515 12.672 -3.008 -10.768 1.00 0.00 O ATOM 0 H ILE B 515 14.165 -3.089 -9.044 1.00 0.00 H new ATOM 0 HA ILE B 515 12.904 -0.501 -8.739 1.00 0.00 H new ATOM 0 HB ILE B 515 15.071 0.192 -9.615 1.00 0.00 H new ATOM 0 HG12 ILE B 515 12.901 0.261 -11.742 1.00 0.00 H new ATOM 0 HG13 ILE B 515 12.991 1.332 -10.358 1.00 0.00 H new ATOM 0 HG21 ILE B 515 15.847 -0.555 -11.828 1.00 0.00 H new ATOM 0 HG22 ILE B 515 15.771 -1.898 -10.663 1.00 0.00 H new ATOM 0 HG23 ILE B 515 14.504 -1.721 -11.899 1.00 0.00 H new ATOM 0 HD11 ILE B 515 13.845 2.428 -12.371 1.00 0.00 H new ATOM 0 HD12 ILE B 515 15.144 2.226 -11.172 1.00 0.00 H new ATOM 0 HD13 ILE B 515 15.053 1.138 -12.577 1.00 0.00 H new TER 2208 ILE B 515