USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 669 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 THR OG1 : rot 77:sc= 1.22 USER MOD Set 1.2: A 21 ASN :FLIP amide:sc= -1.6 F(o=-2,f=-0.39) USER MOD Set 1.3: B 204 SER OG : rot 180:sc= 0.00318 USER MOD Set 2.1: A 8 GLN :FLIP amide:sc= -1.28 F(o=-2.7,f=-1.3) USER MOD Set 2.2: A 34 HIS :FLIP no HD1:sc= 0 F(o=-2.9,f=-1.3) USER MOD Set 3.1: A 4 ASN : amide:sc= -0.0253 K(o=-0.041,f=-1.7) USER MOD Set 3.2: A 6 ASN :FLIP amide:sc= -0.0155 F(o=-1.2!,f=-0.041) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= 0.85 (180deg=-0.0587) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 19 GLN : amide:sc= -0.495 K(o=-0.5,f=-2.1) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -11:sc= 0.871 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -26:sc= 0.588 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.19 X(o=-1.2,f=-0.79) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -95:sc= 1.28 USER MOD Single : A 58 ASN : amide:sc= -1.15 X(o=-1.2,f=-0.76) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 167:sc= -0.0197 (180deg=-0.225) USER MOD Single : B 185 THR OG1 : rot 180:sc= 0 USER MOD Single : B 196 HIS : no HD1:sc= -0.731 K(o=-0.73,f=-1.8!) USER MOD Single : B 197 THR OG1 : rot -21:sc= 0.901 USER MOD Single : B 198 LYS NZ :NH3+ 156:sc= -0.706 (180deg=-1.4) USER MOD Single : B 199 SER OG : rot 74:sc= 0.0215 USER MOD Single : B 201 TYR OH : rot 180:sc= 0 USER MOD Single : B 202 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.030 -19.849 -11.977 1.00 0.00 N ATOM 2 CA MET A 1 -15.292 -20.626 -11.865 1.00 0.00 C ATOM 3 C MET A 1 -15.673 -20.834 -10.403 1.00 0.00 C ATOM 4 O MET A 1 -16.733 -21.381 -10.100 1.00 0.00 O ATOM 5 CB MET A 1 -15.150 -21.981 -12.566 1.00 0.00 C ATOM 6 CG MET A 1 -14.105 -22.894 -11.943 1.00 0.00 C ATOM 7 SD MET A 1 -12.416 -22.335 -12.242 1.00 0.00 S ATOM 8 CE MET A 1 -11.479 -23.618 -11.417 1.00 0.00 C ATOM 0 H1 MET A 1 -13.913 -19.516 -12.955 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.068 -19.031 -11.335 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.225 -20.455 -11.719 1.00 0.00 H new ATOM 0 HA MET A 1 -16.084 -20.056 -12.352 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.115 -22.488 -12.553 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.893 -21.812 -13.612 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.277 -22.955 -10.868 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.225 -23.901 -12.343 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.413 -23.411 -11.515 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.748 -23.643 -10.361 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.704 -24.583 -11.872 1.00 0.00 H new ATOM 20 N THR A 2 -14.800 -20.393 -9.503 1.00 0.00 N ATOM 21 CA THR A 2 -15.042 -20.529 -8.072 1.00 0.00 C ATOM 22 C THR A 2 -15.943 -19.409 -7.563 1.00 0.00 C ATOM 23 O THR A 2 -16.746 -19.613 -6.652 1.00 0.00 O ATOM 24 CB THR A 2 -13.721 -20.519 -7.278 1.00 0.00 C ATOM 25 OG1 THR A 2 -12.866 -21.571 -7.742 1.00 0.00 O ATOM 26 CG2 THR A 2 -13.975 -20.691 -5.788 1.00 0.00 C ATOM 0 H THR A 2 -13.918 -19.938 -9.740 1.00 0.00 H new ATOM 0 HA THR A 2 -15.538 -21.487 -7.920 1.00 0.00 H new ATOM 0 HB THR A 2 -13.238 -19.555 -7.437 1.00 0.00 H new ATOM 0 HG1 THR A 2 -12.027 -21.559 -7.235 1.00 0.00 H new ATOM 0 HG21 THR A 2 -13.025 -20.680 -5.253 1.00 0.00 H new ATOM 0 HG22 THR A 2 -14.603 -19.875 -5.429 1.00 0.00 H new ATOM 0 HG23 THR A 2 -14.479 -21.641 -5.612 1.00 0.00 H new ATOM 34 N ASP A 3 -15.804 -18.228 -8.163 1.00 0.00 N ATOM 35 CA ASP A 3 -16.600 -17.065 -7.778 1.00 0.00 C ATOM 36 C ASP A 3 -16.390 -16.722 -6.306 1.00 0.00 C ATOM 37 O ASP A 3 -16.975 -17.347 -5.421 1.00 0.00 O ATOM 38 CB ASP A 3 -18.085 -17.317 -8.051 1.00 0.00 C ATOM 39 CG ASP A 3 -18.940 -16.098 -7.763 1.00 0.00 C ATOM 40 OD1 ASP A 3 -19.382 -15.943 -6.606 1.00 0.00 O ATOM 41 OD2 ASP A 3 -19.169 -15.299 -8.696 1.00 0.00 O ATOM 0 H ASP A 3 -15.144 -18.052 -8.921 1.00 0.00 H new ATOM 0 HA ASP A 3 -16.269 -16.218 -8.379 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -18.215 -17.611 -9.092 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -18.428 -18.151 -7.439 1.00 0.00 H new ATOM 46 N ASN A 4 -15.554 -15.720 -6.053 1.00 0.00 N ATOM 47 CA ASN A 4 -15.261 -15.290 -4.689 1.00 0.00 C ATOM 48 C ASN A 4 -14.768 -13.846 -4.670 1.00 0.00 C ATOM 49 O ASN A 4 -13.919 -13.459 -5.474 1.00 0.00 O ATOM 50 CB ASN A 4 -14.212 -16.207 -4.057 1.00 0.00 C ATOM 51 CG ASN A 4 -13.824 -15.766 -2.659 1.00 0.00 C ATOM 52 OD1 ASN A 4 -14.639 -15.208 -1.923 1.00 0.00 O ATOM 53 ND2 ASN A 4 -12.574 -16.013 -2.286 1.00 0.00 N ATOM 0 H ASN A 4 -15.067 -15.190 -6.775 1.00 0.00 H new ATOM 0 HA ASN A 4 -16.182 -15.350 -4.109 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -14.599 -17.225 -4.019 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -13.324 -16.227 -4.688 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -12.255 -15.738 -1.357 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -11.932 -16.478 -2.928 1.00 0.00 H new ATOM 60 N SER A 5 -15.306 -13.055 -3.747 1.00 0.00 N ATOM 61 CA SER A 5 -14.921 -11.654 -3.622 1.00 0.00 C ATOM 62 C SER A 5 -15.162 -11.145 -2.204 1.00 0.00 C ATOM 63 O SER A 5 -14.319 -10.455 -1.633 1.00 0.00 O ATOM 64 CB SER A 5 -15.699 -10.797 -4.623 1.00 0.00 C ATOM 65 OG SER A 5 -15.347 -9.428 -4.505 1.00 0.00 O ATOM 0 H SER A 5 -16.010 -13.361 -3.075 1.00 0.00 H new ATOM 0 HA SER A 5 -13.856 -11.577 -3.839 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.496 -11.142 -5.637 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.769 -10.916 -4.454 1.00 0.00 H new ATOM 0 HG SER A 5 -15.857 -8.902 -5.156 1.00 0.00 H new ATOM 71 N ASN A 6 -16.319 -11.497 -1.644 1.00 0.00 N ATOM 72 CA ASN A 6 -16.685 -11.083 -0.291 1.00 0.00 C ATOM 73 C ASN A 6 -16.745 -9.560 -0.174 1.00 0.00 C ATOM 74 O ASN A 6 -17.811 -8.962 -0.312 1.00 0.00 O ATOM 75 CB ASN A 6 -15.699 -11.651 0.734 1.00 0.00 C ATOM 76 CG ASN A 6 -15.723 -13.166 0.794 1.00 0.00 C ATOM 77 OD1 ASN A 6 -16.893 -13.753 0.561 1.00 0.00 O flip ATOM 78 ND2 ASN A 6 -14.702 -13.804 1.051 1.00 0.00 N flip ATOM 0 H ASN A 6 -17.022 -12.071 -2.110 1.00 0.00 H new ATOM 0 HA ASN A 6 -17.678 -11.480 -0.082 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -14.691 -11.318 0.486 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -15.934 -11.249 1.719 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -13.824 -13.314 1.223 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -14.734 -14.823 1.091 1.00 0.00 H new ATOM 85 N ASN A 7 -15.596 -8.939 0.081 1.00 0.00 N ATOM 86 CA ASN A 7 -15.525 -7.487 0.215 1.00 0.00 C ATOM 87 C ASN A 7 -14.147 -6.966 -0.184 1.00 0.00 C ATOM 88 O ASN A 7 -13.211 -6.983 0.616 1.00 0.00 O ATOM 89 CB ASN A 7 -15.843 -7.071 1.652 1.00 0.00 C ATOM 90 CG ASN A 7 -15.753 -5.570 1.855 1.00 0.00 C ATOM 91 OD1 ASN A 7 -16.045 -4.791 0.948 1.00 0.00 O ATOM 92 ND2 ASN A 7 -15.344 -5.158 3.050 1.00 0.00 N ATOM 0 H ASN A 7 -14.703 -9.418 0.199 1.00 0.00 H new ATOM 0 HA ASN A 7 -16.265 -7.051 -0.456 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -16.846 -7.410 1.912 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -15.152 -7.569 2.332 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -15.262 -4.160 3.245 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -15.112 -5.840 3.773 1.00 0.00 H new ATOM 99 N GLN A 8 -14.029 -6.508 -1.427 1.00 0.00 N ATOM 100 CA GLN A 8 -12.765 -5.981 -1.931 1.00 0.00 C ATOM 101 C GLN A 8 -12.565 -4.539 -1.473 1.00 0.00 C ATOM 102 O GLN A 8 -13.312 -3.644 -1.869 1.00 0.00 O ATOM 103 CB GLN A 8 -12.733 -6.055 -3.459 1.00 0.00 C ATOM 104 CG GLN A 8 -11.332 -6.172 -4.045 1.00 0.00 C ATOM 105 CD GLN A 8 -10.452 -4.977 -3.727 1.00 0.00 C ATOM 106 OE1 GLN A 8 -9.700 -5.070 -2.635 1.00 0.00 O flip ATOM 107 NE2 GLN A 8 -10.442 -3.987 -4.457 1.00 0.00 N flip ATOM 0 H GLN A 8 -14.793 -6.491 -2.103 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.954 -6.589 -1.530 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.324 -6.912 -3.783 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.212 -5.165 -3.866 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.859 -7.076 -3.662 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.405 -6.284 -5.127 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.036 -3.958 -5.286 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.840 -3.195 -4.234 1.00 0.00 H new ATOM 116 N LEU A 9 -11.553 -4.321 -0.639 1.00 0.00 N ATOM 117 CA LEU A 9 -11.260 -2.988 -0.129 1.00 0.00 C ATOM 118 C LEU A 9 -10.466 -2.185 -1.154 1.00 0.00 C ATOM 119 O LEU A 9 -9.387 -2.596 -1.579 1.00 0.00 O ATOM 120 CB LEU A 9 -10.480 -3.084 1.187 1.00 0.00 C ATOM 121 CG LEU A 9 -10.414 -1.792 2.010 1.00 0.00 C ATOM 122 CD1 LEU A 9 -10.113 -2.107 3.466 1.00 0.00 C ATOM 123 CD2 LEU A 9 -9.364 -0.846 1.446 1.00 0.00 C ATOM 0 H LEU A 9 -10.923 -5.050 -0.303 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.203 -2.474 0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.932 -3.863 1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.462 -3.404 0.964 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.385 -1.300 1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.069 -1.180 4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.899 -2.746 3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.155 -2.622 3.536 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.335 0.064 2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.387 -1.329 1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.617 -0.594 0.416 1.00 0.00 H new ATOM 135 N VAL A 10 -11.001 -1.032 -1.541 1.00 0.00 N ATOM 136 CA VAL A 10 -10.340 -0.178 -2.517 1.00 0.00 C ATOM 137 C VAL A 10 -9.594 0.959 -1.829 1.00 0.00 C ATOM 138 O VAL A 10 -10.178 1.724 -1.061 1.00 0.00 O ATOM 139 CB VAL A 10 -11.344 0.416 -3.523 1.00 0.00 C ATOM 140 CG1 VAL A 10 -10.616 1.188 -4.613 1.00 0.00 C ATOM 141 CG2 VAL A 10 -12.212 -0.679 -4.125 1.00 0.00 C ATOM 0 H VAL A 10 -11.889 -0.669 -1.194 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.631 -0.805 -3.057 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.994 1.110 -2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.342 1.600 -5.314 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.044 2.000 -4.164 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.939 0.518 -5.143 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.914 -0.239 -4.833 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.580 -1.401 -4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.764 -1.183 -3.332 1.00 0.00 H new ATOM 151 N VAL A 11 -8.301 1.060 -2.113 1.00 0.00 N ATOM 152 CA VAL A 11 -7.464 2.093 -1.520 1.00 0.00 C ATOM 153 C VAL A 11 -6.819 2.958 -2.602 1.00 0.00 C ATOM 154 O VAL A 11 -6.489 2.470 -3.682 1.00 0.00 O ATOM 155 CB VAL A 11 -6.370 1.471 -0.631 1.00 0.00 C ATOM 156 CG1 VAL A 11 -5.372 0.683 -1.467 1.00 0.00 C ATOM 157 CG2 VAL A 11 -5.669 2.543 0.187 1.00 0.00 C ATOM 0 H VAL A 11 -7.809 0.436 -2.753 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.104 2.722 -0.901 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.848 0.777 0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.610 0.254 -0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.891 -0.117 -1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.899 1.347 -2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.900 2.083 0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.208 3.269 -0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.395 3.048 0.824 1.00 0.00 H new ATOM 167 N ARG A 12 -6.643 4.243 -2.305 1.00 0.00 N ATOM 168 CA ARG A 12 -6.048 5.172 -3.260 1.00 0.00 C ATOM 169 C ARG A 12 -4.744 5.760 -2.726 1.00 0.00 C ATOM 170 O ARG A 12 -4.629 6.074 -1.542 1.00 0.00 O ATOM 171 CB ARG A 12 -7.033 6.296 -3.585 1.00 0.00 C ATOM 172 CG ARG A 12 -6.565 7.216 -4.698 1.00 0.00 C ATOM 173 CD ARG A 12 -7.578 8.315 -4.977 1.00 0.00 C ATOM 174 NE ARG A 12 -8.821 7.787 -5.534 1.00 0.00 N ATOM 175 CZ ARG A 12 -9.768 8.550 -6.072 1.00 0.00 C ATOM 176 NH1 ARG A 12 -9.621 9.867 -6.112 1.00 0.00 N ATOM 177 NH2 ARG A 12 -10.866 7.995 -6.567 1.00 0.00 N ATOM 0 H ARG A 12 -6.903 4.663 -1.413 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.821 4.617 -4.170 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.990 5.858 -3.867 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.205 6.887 -2.686 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.609 7.662 -4.424 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.398 6.635 -5.605 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.794 8.851 -4.053 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.148 9.037 -5.671 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.971 6.778 -5.509 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.779 10.298 -5.729 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.349 10.449 -6.525 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.984 6.982 -6.535 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.592 8.581 -6.980 1.00 0.00 H new ATOM 191 N ALA A 13 -3.765 5.901 -3.616 1.00 0.00 N ATOM 192 CA ALA A 13 -2.462 6.450 -3.253 1.00 0.00 C ATOM 193 C ALA A 13 -2.580 7.882 -2.740 1.00 0.00 C ATOM 194 O ALA A 13 -3.335 8.688 -3.286 1.00 0.00 O ATOM 195 CB ALA A 13 -1.523 6.395 -4.447 1.00 0.00 C ATOM 0 H ALA A 13 -3.851 5.641 -4.599 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.055 5.841 -2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.553 6.807 -4.167 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.399 5.360 -4.765 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.942 6.979 -5.267 1.00 0.00 H new ATOM 201 N LYS A 14 -1.828 8.192 -1.687 1.00 0.00 N ATOM 202 CA LYS A 14 -1.840 9.529 -1.101 1.00 0.00 C ATOM 203 C LYS A 14 -0.652 10.352 -1.595 1.00 0.00 C ATOM 204 O LYS A 14 -0.823 11.347 -2.299 1.00 0.00 O ATOM 205 CB LYS A 14 -1.815 9.446 0.427 1.00 0.00 C ATOM 206 CG LYS A 14 -2.987 8.677 1.016 1.00 0.00 C ATOM 207 CD LYS A 14 -2.930 8.642 2.536 1.00 0.00 C ATOM 208 CE LYS A 14 -3.185 10.016 3.139 1.00 0.00 C ATOM 209 NZ LYS A 14 -3.167 9.982 4.627 1.00 0.00 N ATOM 0 H LYS A 14 -1.202 7.535 -1.222 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.760 10.023 -1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.886 8.971 0.741 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.812 10.456 0.837 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.922 9.138 0.697 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.986 7.658 0.628 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.670 7.936 2.912 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.953 8.280 2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.428 10.715 2.783 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.150 10.389 2.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.345 10.937 4.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.906 9.335 4.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.238 9.650 4.955 1.00 0.00 H new ATOM 223 N PHE A 15 0.553 9.927 -1.218 1.00 0.00 N ATOM 224 CA PHE A 15 1.774 10.621 -1.617 1.00 0.00 C ATOM 225 C PHE A 15 2.497 9.861 -2.728 1.00 0.00 C ATOM 226 O PHE A 15 2.202 8.695 -2.987 1.00 0.00 O ATOM 227 CB PHE A 15 2.706 10.787 -0.413 1.00 0.00 C ATOM 228 CG PHE A 15 2.010 11.273 0.829 1.00 0.00 C ATOM 229 CD1 PHE A 15 1.364 12.499 0.844 1.00 0.00 C ATOM 230 CD2 PHE A 15 2.004 10.502 1.983 1.00 0.00 C ATOM 231 CE1 PHE A 15 0.722 12.946 1.984 1.00 0.00 C ATOM 232 CE2 PHE A 15 1.365 10.945 3.125 1.00 0.00 C ATOM 233 CZ PHE A 15 0.724 12.169 3.126 1.00 0.00 C ATOM 0 H PHE A 15 0.709 9.104 -0.636 1.00 0.00 H new ATOM 0 HA PHE A 15 1.495 11.604 -1.995 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.184 9.831 -0.200 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.499 11.489 -0.673 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.362 13.112 -0.045 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.504 9.545 1.988 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.219 13.902 1.982 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.367 10.335 4.016 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.225 12.518 4.018 1.00 0.00 H new ATOM 243 N ASN A 16 3.445 10.531 -3.381 1.00 0.00 N ATOM 244 CA ASN A 16 4.213 9.917 -4.460 1.00 0.00 C ATOM 245 C ASN A 16 5.264 8.961 -3.901 1.00 0.00 C ATOM 246 O ASN A 16 6.311 9.390 -3.417 1.00 0.00 O ATOM 247 CB ASN A 16 4.890 10.993 -5.312 1.00 0.00 C ATOM 248 CG ASN A 16 5.739 10.405 -6.423 1.00 0.00 C ATOM 249 OD1 ASN A 16 5.258 10.177 -7.532 1.00 0.00 O ATOM 250 ND2 ASN A 16 7.010 10.154 -6.128 1.00 0.00 N ATOM 0 H ASN A 16 3.699 11.498 -3.181 1.00 0.00 H new ATOM 0 HA ASN A 16 3.524 9.350 -5.085 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.128 11.641 -5.745 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.515 11.618 -4.674 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.629 9.756 -6.835 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.367 10.359 -5.195 1.00 0.00 H new ATOM 257 N PHE A 17 4.974 7.664 -3.965 1.00 0.00 N ATOM 258 CA PHE A 17 5.890 6.649 -3.462 1.00 0.00 C ATOM 259 C PHE A 17 6.723 6.052 -4.593 1.00 0.00 C ATOM 260 O PHE A 17 6.196 5.719 -5.654 1.00 0.00 O ATOM 261 CB PHE A 17 5.110 5.542 -2.749 1.00 0.00 C ATOM 262 CG PHE A 17 5.986 4.523 -2.077 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.512 4.766 -0.819 1.00 0.00 C ATOM 264 CD2 PHE A 17 6.279 3.323 -2.704 1.00 0.00 C ATOM 265 CE1 PHE A 17 7.317 3.831 -0.199 1.00 0.00 C ATOM 266 CE2 PHE A 17 7.084 2.384 -2.088 1.00 0.00 C ATOM 267 CZ PHE A 17 7.604 2.638 -0.834 1.00 0.00 C ATOM 0 H PHE A 17 4.110 7.293 -4.361 1.00 0.00 H new ATOM 0 HA PHE A 17 6.567 7.126 -2.753 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.455 5.993 -2.004 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.470 5.037 -3.472 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.290 5.697 -0.318 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.874 3.119 -3.684 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.722 4.032 0.782 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.306 1.452 -2.587 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.234 1.906 -0.351 1.00 0.00 H new ATOM 277 N GLN A 18 8.026 5.918 -4.357 1.00 0.00 N ATOM 278 CA GLN A 18 8.930 5.354 -5.353 1.00 0.00 C ATOM 279 C GLN A 18 9.400 3.966 -4.928 1.00 0.00 C ATOM 280 O GLN A 18 9.800 3.759 -3.782 1.00 0.00 O ATOM 281 CB GLN A 18 10.133 6.277 -5.567 1.00 0.00 C ATOM 282 CG GLN A 18 10.922 6.554 -4.300 1.00 0.00 C ATOM 283 CD GLN A 18 12.104 7.474 -4.539 1.00 0.00 C ATOM 284 OE1 GLN A 18 12.073 8.327 -5.425 1.00 0.00 O ATOM 285 NE2 GLN A 18 13.156 7.304 -3.746 1.00 0.00 N ATOM 0 H GLN A 18 8.478 6.192 -3.485 1.00 0.00 H new ATOM 0 HA GLN A 18 8.387 5.263 -6.294 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.796 5.829 -6.307 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.785 7.223 -5.982 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.263 7.001 -3.556 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.278 5.611 -3.885 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.139 6.584 -3.024 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.981 7.893 -3.859 1.00 0.00 H new ATOM 294 N GLN A 19 9.348 3.019 -5.859 1.00 0.00 N ATOM 295 CA GLN A 19 9.758 1.647 -5.580 1.00 0.00 C ATOM 296 C GLN A 19 11.267 1.477 -5.730 1.00 0.00 C ATOM 297 O GLN A 19 11.926 2.258 -6.417 1.00 0.00 O ATOM 298 CB GLN A 19 9.034 0.675 -6.514 1.00 0.00 C ATOM 299 CG GLN A 19 9.407 0.846 -7.979 1.00 0.00 C ATOM 300 CD GLN A 19 8.768 -0.201 -8.871 1.00 0.00 C ATOM 301 OE1 GLN A 19 7.672 -0.687 -8.591 1.00 0.00 O ATOM 302 NE2 GLN A 19 9.454 -0.555 -9.951 1.00 0.00 N ATOM 0 H GLN A 19 9.026 3.176 -6.814 1.00 0.00 H new ATOM 0 HA GLN A 19 9.489 1.425 -4.547 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.259 -0.346 -6.207 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.958 0.811 -6.403 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.103 1.838 -8.314 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.491 0.793 -8.082 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.359 -0.126 -10.144 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.076 -1.256 -10.588 1.00 0.00 H new ATOM 311 N THR A 20 11.805 0.449 -5.081 1.00 0.00 N ATOM 312 CA THR A 20 13.231 0.160 -5.146 1.00 0.00 C ATOM 313 C THR A 20 13.495 -1.048 -6.037 1.00 0.00 C ATOM 314 O THR A 20 14.621 -1.270 -6.487 1.00 0.00 O ATOM 315 CB THR A 20 13.816 -0.107 -3.746 1.00 0.00 C ATOM 316 OG1 THR A 20 13.121 -1.192 -3.121 1.00 0.00 O ATOM 317 CG2 THR A 20 13.719 1.135 -2.872 1.00 0.00 C ATOM 0 H THR A 20 11.271 -0.199 -4.502 1.00 0.00 H new ATOM 0 HA THR A 20 13.719 1.039 -5.568 1.00 0.00 H new ATOM 0 HB THR A 20 14.868 -0.369 -3.862 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.428 -2.041 -3.504 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.138 0.922 -1.889 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.276 1.950 -3.335 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.673 1.424 -2.766 1.00 0.00 H new ATOM 325 N ASN A 21 12.445 -1.825 -6.288 1.00 0.00 N ATOM 326 CA ASN A 21 12.544 -3.015 -7.129 1.00 0.00 C ATOM 327 C ASN A 21 11.213 -3.289 -7.821 1.00 0.00 C ATOM 328 O ASN A 21 10.244 -2.554 -7.633 1.00 0.00 O ATOM 329 CB ASN A 21 12.946 -4.233 -6.292 1.00 0.00 C ATOM 330 CG ASN A 21 14.218 -4.003 -5.501 1.00 0.00 C ATOM 331 OD1 ASN A 21 14.070 -3.520 -4.274 1.00 0.00 O flip ATOM 332 ND2 ASN A 21 15.320 -4.257 -5.987 1.00 0.00 N flip ATOM 0 H ASN A 21 11.510 -1.651 -5.919 1.00 0.00 H new ATOM 0 HA ASN A 21 13.309 -2.834 -7.884 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.136 -4.481 -5.606 1.00 0.00 H new ATOM 0 HB3 ASN A 21 13.082 -5.092 -6.949 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.386 -4.627 -6.935 1.00 0.00 H new ATOM 0 HD22 ASN A 21 16.167 -4.097 -5.442 1.00 0.00 H new ATOM 339 N GLU A 22 11.171 -4.349 -8.622 1.00 0.00 N ATOM 340 CA GLU A 22 9.954 -4.717 -9.337 1.00 0.00 C ATOM 341 C GLU A 22 9.075 -5.616 -8.475 1.00 0.00 C ATOM 342 O GLU A 22 7.959 -5.965 -8.860 1.00 0.00 O ATOM 343 CB GLU A 22 10.291 -5.422 -10.652 1.00 0.00 C ATOM 344 CG GLU A 22 11.077 -4.556 -11.625 1.00 0.00 C ATOM 345 CD GLU A 22 12.519 -4.357 -11.200 1.00 0.00 C ATOM 346 OE1 GLU A 22 13.349 -5.246 -11.486 1.00 0.00 O ATOM 347 OE2 GLU A 22 12.817 -3.314 -10.583 1.00 0.00 O ATOM 0 H GLU A 22 11.964 -4.967 -8.792 1.00 0.00 H new ATOM 0 HA GLU A 22 9.406 -3.802 -9.562 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.866 -6.322 -10.435 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.365 -5.742 -11.130 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.054 -5.015 -12.613 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.591 -3.584 -11.714 1.00 0.00 H new ATOM 354 N ASP A 23 9.589 -5.987 -7.307 1.00 0.00 N ATOM 355 CA ASP A 23 8.856 -6.846 -6.384 1.00 0.00 C ATOM 356 C ASP A 23 7.953 -6.020 -5.474 1.00 0.00 C ATOM 357 O ASP A 23 7.041 -6.552 -4.840 1.00 0.00 O ATOM 358 CB ASP A 23 9.830 -7.670 -5.541 1.00 0.00 C ATOM 359 CG ASP A 23 10.760 -8.515 -6.390 1.00 0.00 C ATOM 360 OD1 ASP A 23 11.842 -8.015 -6.763 1.00 0.00 O ATOM 361 OD2 ASP A 23 10.405 -9.677 -6.682 1.00 0.00 O ATOM 0 H ASP A 23 10.512 -5.706 -6.977 1.00 0.00 H new ATOM 0 HA ASP A 23 8.232 -7.520 -6.971 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.421 -7.001 -4.916 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.266 -8.318 -4.870 1.00 0.00 H new ATOM 366 N GLU A 24 8.212 -4.717 -5.414 1.00 0.00 N ATOM 367 CA GLU A 24 7.423 -3.817 -4.579 1.00 0.00 C ATOM 368 C GLU A 24 6.339 -3.128 -5.405 1.00 0.00 C ATOM 369 O GLU A 24 6.386 -3.134 -6.635 1.00 0.00 O ATOM 370 CB GLU A 24 8.331 -2.777 -3.918 1.00 0.00 C ATOM 371 CG GLU A 24 7.657 -1.999 -2.799 1.00 0.00 C ATOM 372 CD GLU A 24 8.631 -1.138 -2.020 1.00 0.00 C ATOM 373 OE1 GLU A 24 9.005 -0.059 -2.526 1.00 0.00 O ATOM 374 OE2 GLU A 24 9.020 -1.543 -0.905 1.00 0.00 O ATOM 0 H GLU A 24 8.962 -4.261 -5.934 1.00 0.00 H new ATOM 0 HA GLU A 24 6.938 -4.405 -3.800 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.213 -3.279 -3.520 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.679 -2.076 -4.677 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.875 -1.367 -3.220 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.170 -2.697 -2.118 1.00 0.00 H new ATOM 381 N LEU A 25 5.366 -2.533 -4.722 1.00 0.00 N ATOM 382 CA LEU A 25 4.267 -1.850 -5.396 1.00 0.00 C ATOM 383 C LEU A 25 4.518 -0.346 -5.471 1.00 0.00 C ATOM 384 O LEU A 25 4.569 0.337 -4.449 1.00 0.00 O ATOM 385 CB LEU A 25 2.950 -2.119 -4.653 1.00 0.00 C ATOM 386 CG LEU A 25 1.670 -2.025 -5.495 1.00 0.00 C ATOM 387 CD1 LEU A 25 1.497 -0.634 -6.085 1.00 0.00 C ATOM 388 CD2 LEU A 25 1.676 -3.075 -6.596 1.00 0.00 C ATOM 0 H LEU A 25 5.316 -2.510 -3.703 1.00 0.00 H new ATOM 0 HA LEU A 25 4.199 -2.238 -6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.000 -3.116 -4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.871 -1.412 -3.828 1.00 0.00 H new ATOM 0 HG LEU A 25 0.823 -2.216 -4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.581 -0.601 -6.676 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.436 0.098 -5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.349 -0.401 -6.723 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.761 -2.993 -7.182 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.538 -2.917 -7.245 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.734 -4.068 -6.151 1.00 0.00 H new ATOM 400 N SER A 26 4.673 0.162 -6.691 1.00 0.00 N ATOM 401 CA SER A 26 4.899 1.587 -6.904 1.00 0.00 C ATOM 402 C SER A 26 3.576 2.288 -7.182 1.00 0.00 C ATOM 403 O SER A 26 2.669 1.702 -7.773 1.00 0.00 O ATOM 404 CB SER A 26 5.866 1.813 -8.066 1.00 0.00 C ATOM 405 OG SER A 26 6.002 3.192 -8.356 1.00 0.00 O ATOM 0 H SER A 26 4.646 -0.393 -7.546 1.00 0.00 H new ATOM 0 HA SER A 26 5.343 2.005 -6.000 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.841 1.393 -7.819 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.506 1.286 -8.950 1.00 0.00 H new ATOM 0 HG SER A 26 6.627 3.309 -9.102 1.00 0.00 H new ATOM 411 N PHE A 27 3.464 3.540 -6.755 1.00 0.00 N ATOM 412 CA PHE A 27 2.233 4.293 -6.960 1.00 0.00 C ATOM 413 C PHE A 27 2.438 5.787 -6.732 1.00 0.00 C ATOM 414 O PHE A 27 3.331 6.201 -5.991 1.00 0.00 O ATOM 415 CB PHE A 27 1.143 3.775 -6.022 1.00 0.00 C ATOM 416 CG PHE A 27 1.578 3.694 -4.586 1.00 0.00 C ATOM 417 CD1 PHE A 27 2.171 2.543 -4.091 1.00 0.00 C ATOM 418 CD2 PHE A 27 1.395 4.769 -3.731 1.00 0.00 C ATOM 419 CE1 PHE A 27 2.574 2.467 -2.772 1.00 0.00 C ATOM 420 CE2 PHE A 27 1.794 4.697 -2.410 1.00 0.00 C ATOM 421 CZ PHE A 27 2.384 3.544 -1.930 1.00 0.00 C ATOM 0 H PHE A 27 4.202 4.051 -6.270 1.00 0.00 H new ATOM 0 HA PHE A 27 1.928 4.151 -7.997 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.273 4.427 -6.094 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.828 2.786 -6.355 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.320 1.696 -4.744 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.935 5.673 -4.101 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.038 1.565 -2.400 1.00 0.00 H new ATOM 0 HE2 PHE A 27 1.645 5.541 -1.753 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.696 3.485 -0.898 1.00 0.00 H new ATOM 431 N SER A 28 1.599 6.586 -7.382 1.00 0.00 N ATOM 432 CA SER A 28 1.657 8.038 -7.256 1.00 0.00 C ATOM 433 C SER A 28 0.267 8.597 -6.970 1.00 0.00 C ATOM 434 O SER A 28 -0.738 7.959 -7.282 1.00 0.00 O ATOM 435 CB SER A 28 2.219 8.663 -8.535 1.00 0.00 C ATOM 436 OG SER A 28 1.407 8.356 -9.654 1.00 0.00 O ATOM 0 H SER A 28 0.866 6.250 -8.006 1.00 0.00 H new ATOM 0 HA SER A 28 2.317 8.287 -6.425 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.285 9.744 -8.416 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.232 8.299 -8.706 1.00 0.00 H new ATOM 0 HG SER A 28 0.752 7.671 -9.405 1.00 0.00 H new ATOM 442 N LYS A 29 0.220 9.782 -6.367 1.00 0.00 N ATOM 443 CA LYS A 29 -1.047 10.430 -6.032 1.00 0.00 C ATOM 444 C LYS A 29 -2.040 10.346 -7.191 1.00 0.00 C ATOM 445 O LYS A 29 -1.956 11.118 -8.147 1.00 0.00 O ATOM 446 CB LYS A 29 -0.806 11.894 -5.656 1.00 0.00 C ATOM 447 CG LYS A 29 -2.061 12.623 -5.203 1.00 0.00 C ATOM 448 CD LYS A 29 -1.762 14.068 -4.839 1.00 0.00 C ATOM 449 CE LYS A 29 -3.007 14.787 -4.344 1.00 0.00 C ATOM 450 NZ LYS A 29 -2.725 16.207 -3.998 1.00 0.00 N ATOM 0 H LYS A 29 1.047 10.315 -6.099 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.477 9.904 -5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.063 11.938 -4.859 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.383 12.416 -6.515 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.807 12.593 -5.997 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.490 12.111 -4.342 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.992 14.098 -4.068 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.362 14.588 -5.709 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.779 14.747 -5.112 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.401 14.271 -3.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.598 16.663 -3.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.006 16.245 -3.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.373 16.706 -4.840 1.00 0.00 H new ATOM 464 N GLY A 30 -2.977 9.404 -7.101 1.00 0.00 N ATOM 465 CA GLY A 30 -3.969 9.245 -8.150 1.00 0.00 C ATOM 466 C GLY A 30 -4.239 7.791 -8.493 1.00 0.00 C ATOM 467 O GLY A 30 -5.395 7.367 -8.551 1.00 0.00 O ATOM 0 H GLY A 30 -3.066 8.751 -6.323 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.900 9.718 -7.837 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.631 9.767 -9.045 1.00 0.00 H new ATOM 471 N ASP A 31 -3.176 7.027 -8.725 1.00 0.00 N ATOM 472 CA ASP A 31 -3.305 5.615 -9.071 1.00 0.00 C ATOM 473 C ASP A 31 -4.063 4.846 -7.991 1.00 0.00 C ATOM 474 O ASP A 31 -3.725 4.921 -6.809 1.00 0.00 O ATOM 475 CB ASP A 31 -1.923 4.996 -9.285 1.00 0.00 C ATOM 476 CG ASP A 31 -1.187 5.621 -10.456 1.00 0.00 C ATOM 477 OD1 ASP A 31 -0.594 6.704 -10.273 1.00 0.00 O ATOM 478 OD2 ASP A 31 -1.207 5.027 -11.554 1.00 0.00 O ATOM 0 H ASP A 31 -2.214 7.363 -8.680 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.876 5.547 -9.997 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.329 5.117 -8.379 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.030 3.925 -9.456 1.00 0.00 H new ATOM 483 N VAL A 32 -5.090 4.109 -8.409 1.00 0.00 N ATOM 484 CA VAL A 32 -5.900 3.320 -7.485 1.00 0.00 C ATOM 485 C VAL A 32 -5.379 1.889 -7.404 1.00 0.00 C ATOM 486 O VAL A 32 -5.026 1.295 -8.419 1.00 0.00 O ATOM 487 CB VAL A 32 -7.381 3.290 -7.915 1.00 0.00 C ATOM 488 CG1 VAL A 32 -8.246 2.679 -6.823 1.00 0.00 C ATOM 489 CG2 VAL A 32 -7.865 4.689 -8.268 1.00 0.00 C ATOM 0 H VAL A 32 -5.381 4.042 -9.384 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.827 3.796 -6.507 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.466 2.665 -8.804 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.287 2.668 -7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.916 1.659 -6.626 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.156 3.272 -5.913 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.912 4.647 -8.569 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.763 5.339 -7.399 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.267 5.084 -9.089 1.00 0.00 H new ATOM 499 N ILE A 33 -5.344 1.335 -6.196 1.00 0.00 N ATOM 500 CA ILE A 33 -4.850 -0.025 -5.999 1.00 0.00 C ATOM 501 C ILE A 33 -5.884 -0.905 -5.301 1.00 0.00 C ATOM 502 O ILE A 33 -6.569 -0.465 -4.377 1.00 0.00 O ATOM 503 CB ILE A 33 -3.549 -0.028 -5.172 1.00 0.00 C ATOM 504 CG1 ILE A 33 -2.507 0.887 -5.819 1.00 0.00 C ATOM 505 CG2 ILE A 33 -3.007 -1.443 -5.036 1.00 0.00 C ATOM 506 CD1 ILE A 33 -1.280 1.111 -4.961 1.00 0.00 C ATOM 0 H ILE A 33 -5.650 1.803 -5.343 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.652 -0.432 -6.990 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.771 0.351 -4.174 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.200 0.457 -6.772 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.968 1.850 -6.038 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.088 -1.426 -4.449 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.746 -2.069 -4.536 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.798 -1.849 -6.026 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.586 1.769 -5.484 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.575 1.570 -4.017 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.795 0.155 -4.763 1.00 0.00 H new ATOM 518 N HIS A 34 -5.990 -2.149 -5.757 1.00 0.00 N ATOM 519 CA HIS A 34 -6.928 -3.104 -5.177 1.00 0.00 C ATOM 520 C HIS A 34 -6.245 -3.931 -4.093 1.00 0.00 C ATOM 521 O HIS A 34 -5.221 -4.570 -4.339 1.00 0.00 O ATOM 522 CB HIS A 34 -7.491 -4.021 -6.265 1.00 0.00 C ATOM 523 CG HIS A 34 -8.273 -3.297 -7.316 1.00 0.00 C ATOM 524 ND1 HIS A 34 -9.576 -2.931 -7.356 1.00 0.00 N flip ATOM 525 CD2 HIS A 34 -7.720 -2.863 -8.503 1.00 0.00 C flip ATOM 526 CE1 HIS A 34 -9.784 -2.292 -8.554 1.00 0.00 C flip ATOM 527 NE2 HIS A 34 -8.649 -2.263 -9.227 1.00 0.00 N flip ATOM 0 H HIS A 34 -5.436 -2.520 -6.529 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.750 -2.550 -4.725 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.668 -4.555 -6.740 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.131 -4.771 -5.800 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -6.688 -2.993 -8.795 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -10.724 -1.880 -8.891 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -8.512 -1.848 -10.149 1.00 0.00 H new ATOM 536 N VAL A 35 -6.818 -3.917 -2.893 1.00 0.00 N ATOM 537 CA VAL A 35 -6.260 -4.657 -1.766 1.00 0.00 C ATOM 538 C VAL A 35 -6.515 -6.157 -1.896 1.00 0.00 C ATOM 539 O VAL A 35 -7.595 -6.583 -2.304 1.00 0.00 O ATOM 540 CB VAL A 35 -6.843 -4.156 -0.429 1.00 0.00 C ATOM 541 CG1 VAL A 35 -6.267 -4.939 0.741 1.00 0.00 C ATOM 542 CG2 VAL A 35 -6.581 -2.667 -0.259 1.00 0.00 C ATOM 0 H VAL A 35 -7.670 -3.400 -2.676 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.184 -4.483 -1.777 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.921 -4.317 -0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.693 -4.567 1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.510 -5.995 0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.184 -4.816 0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.999 -2.330 0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.507 -2.483 -0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.049 -2.119 -1.077 1.00 0.00 H new ATOM 552 N THR A 36 -5.508 -6.951 -1.548 1.00 0.00 N ATOM 553 CA THR A 36 -5.615 -8.403 -1.613 1.00 0.00 C ATOM 554 C THR A 36 -5.417 -9.016 -0.233 1.00 0.00 C ATOM 555 O THR A 36 -5.851 -10.138 0.031 1.00 0.00 O ATOM 556 CB THR A 36 -4.581 -9.002 -2.583 1.00 0.00 C ATOM 557 OG1 THR A 36 -3.259 -8.619 -2.188 1.00 0.00 O ATOM 558 CG2 THR A 36 -4.843 -8.540 -4.007 1.00 0.00 C ATOM 0 H THR A 36 -4.605 -6.611 -1.217 1.00 0.00 H new ATOM 0 HA THR A 36 -6.615 -8.637 -1.979 1.00 0.00 H new ATOM 0 HB THR A 36 -4.670 -10.088 -2.548 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.298 -7.779 -1.685 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.099 -8.976 -4.674 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.839 -8.859 -4.316 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.779 -7.453 -4.054 1.00 0.00 H new ATOM 566 N ARG A 37 -4.755 -8.266 0.641 1.00 0.00 N ATOM 567 CA ARG A 37 -4.492 -8.715 2.001 1.00 0.00 C ATOM 568 C ARG A 37 -4.381 -7.521 2.942 1.00 0.00 C ATOM 569 O ARG A 37 -3.389 -6.791 2.917 1.00 0.00 O ATOM 570 CB ARG A 37 -3.206 -9.542 2.047 1.00 0.00 C ATOM 571 CG ARG A 37 -2.848 -10.037 3.439 1.00 0.00 C ATOM 572 CD ARG A 37 -1.586 -10.882 3.418 1.00 0.00 C ATOM 573 NE ARG A 37 -1.091 -11.160 4.763 1.00 0.00 N ATOM 574 CZ ARG A 37 0.085 -11.725 5.014 1.00 0.00 C ATOM 575 NH1 ARG A 37 0.875 -12.094 4.013 1.00 0.00 N ATOM 576 NH2 ARG A 37 0.473 -11.924 6.265 1.00 0.00 N ATOM 0 H ARG A 37 -4.389 -7.338 0.429 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.324 -9.340 2.326 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.312 -10.399 1.382 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.383 -8.940 1.662 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.707 -9.186 4.105 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.674 -10.623 3.842 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.788 -11.822 2.905 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.814 -10.366 2.847 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.682 -10.906 5.555 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.580 -11.944 3.048 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.777 -12.528 4.209 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.131 -11.643 7.037 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.376 -12.358 6.456 1.00 0.00 H new ATOM 590 N VAL A 38 -5.403 -7.324 3.768 1.00 0.00 N ATOM 591 CA VAL A 38 -5.417 -6.211 4.708 1.00 0.00 C ATOM 592 C VAL A 38 -5.289 -6.698 6.149 1.00 0.00 C ATOM 593 O VAL A 38 -6.184 -7.360 6.677 1.00 0.00 O ATOM 594 CB VAL A 38 -6.699 -5.363 4.556 1.00 0.00 C ATOM 595 CG1 VAL A 38 -7.937 -6.247 4.557 1.00 0.00 C ATOM 596 CG2 VAL A 38 -6.786 -4.314 5.654 1.00 0.00 C ATOM 0 H VAL A 38 -6.230 -7.920 3.805 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.555 -5.586 4.473 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.651 -4.848 3.596 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.827 -5.627 4.449 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.882 -6.951 3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.990 -6.797 5.496 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.697 -3.729 5.527 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.804 -4.806 6.627 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.920 -3.655 5.597 1.00 0.00 H new ATOM 606 N GLU A 39 -4.165 -6.368 6.777 1.00 0.00 N ATOM 607 CA GLU A 39 -3.911 -6.764 8.157 1.00 0.00 C ATOM 608 C GLU A 39 -4.266 -5.633 9.117 1.00 0.00 C ATOM 609 O GLU A 39 -4.769 -4.589 8.699 1.00 0.00 O ATOM 610 CB GLU A 39 -2.442 -7.154 8.332 1.00 0.00 C ATOM 611 CG GLU A 39 -1.980 -8.233 7.366 1.00 0.00 C ATOM 612 CD GLU A 39 -2.753 -9.528 7.522 1.00 0.00 C ATOM 613 OE1 GLU A 39 -2.324 -10.383 8.325 1.00 0.00 O ATOM 614 OE2 GLU A 39 -3.788 -9.687 6.841 1.00 0.00 O ATOM 0 H GLU A 39 -3.414 -5.826 6.350 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.539 -7.625 8.387 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.821 -6.268 8.198 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.286 -7.501 9.353 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.089 -7.871 6.344 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.919 -8.427 7.524 1.00 0.00 H new ATOM 621 N GLU A 40 -4.005 -5.845 10.403 1.00 0.00 N ATOM 622 CA GLU A 40 -4.300 -4.838 11.415 1.00 0.00 C ATOM 623 C GLU A 40 -3.169 -3.818 11.520 1.00 0.00 C ATOM 624 O GLU A 40 -2.320 -3.908 12.407 1.00 0.00 O ATOM 625 CB GLU A 40 -4.536 -5.497 12.777 1.00 0.00 C ATOM 626 CG GLU A 40 -5.608 -6.573 12.755 1.00 0.00 C ATOM 627 CD GLU A 40 -5.916 -7.114 14.138 1.00 0.00 C ATOM 628 OE1 GLU A 40 -5.046 -7.802 14.713 1.00 0.00 O ATOM 629 OE2 GLU A 40 -7.026 -6.850 14.644 1.00 0.00 O ATOM 0 H GLU A 40 -3.591 -6.703 10.768 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.208 -4.317 11.111 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.601 -5.935 13.126 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.818 -4.730 13.498 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.519 -6.165 12.317 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.284 -7.391 12.112 1.00 0.00 H new ATOM 636 N GLY A 41 -3.163 -2.851 10.604 1.00 0.00 N ATOM 637 CA GLY A 41 -2.137 -1.821 10.607 1.00 0.00 C ATOM 638 C GLY A 41 -0.753 -2.367 10.313 1.00 0.00 C ATOM 639 O GLY A 41 -0.281 -3.281 10.988 1.00 0.00 O ATOM 0 H GLY A 41 -3.853 -2.763 9.858 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.388 -1.063 9.865 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.128 -1.326 11.578 1.00 0.00 H new ATOM 643 N GLY A 42 -0.099 -1.802 9.301 1.00 0.00 N ATOM 644 CA GLY A 42 1.234 -2.247 8.942 1.00 0.00 C ATOM 645 C GLY A 42 1.499 -2.158 7.451 1.00 0.00 C ATOM 646 O GLY A 42 1.624 -1.064 6.900 1.00 0.00 O ATOM 0 H GLY A 42 -0.469 -1.046 8.725 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.970 -1.644 9.474 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.369 -3.278 9.270 1.00 0.00 H new ATOM 650 N TRP A 43 1.585 -3.314 6.801 1.00 0.00 N ATOM 651 CA TRP A 43 1.838 -3.371 5.366 1.00 0.00 C ATOM 652 C TRP A 43 0.723 -4.114 4.639 1.00 0.00 C ATOM 653 O TRP A 43 0.342 -5.217 5.031 1.00 0.00 O ATOM 654 CB TRP A 43 3.174 -4.061 5.092 1.00 0.00 C ATOM 655 CG TRP A 43 4.346 -3.130 5.117 1.00 0.00 C ATOM 656 CD1 TRP A 43 5.095 -2.777 6.203 1.00 0.00 C ATOM 657 CD2 TRP A 43 4.906 -2.438 3.998 1.00 0.00 C ATOM 658 NE1 TRP A 43 6.093 -1.912 5.823 1.00 0.00 N ATOM 659 CE2 TRP A 43 5.998 -1.688 4.474 1.00 0.00 C ATOM 660 CE3 TRP A 43 4.593 -2.384 2.636 1.00 0.00 C ATOM 661 CZ2 TRP A 43 6.776 -0.892 3.637 1.00 0.00 C ATOM 662 CZ3 TRP A 43 5.366 -1.593 1.807 1.00 0.00 C ATOM 663 CH2 TRP A 43 6.448 -0.858 2.310 1.00 0.00 C ATOM 0 H TRP A 43 1.483 -4.226 7.247 1.00 0.00 H new ATOM 0 HA TRP A 43 1.873 -2.347 4.993 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.327 -4.845 5.834 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.129 -4.548 4.118 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.928 -3.126 7.211 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.791 -1.503 6.444 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.763 -2.950 2.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.609 -0.322 4.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.132 -1.540 0.754 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.035 -0.252 1.636 1.00 0.00 H new ATOM 674 N TRP A 44 0.206 -3.503 3.578 1.00 0.00 N ATOM 675 CA TRP A 44 -0.863 -4.111 2.790 1.00 0.00 C ATOM 676 C TRP A 44 -0.383 -4.424 1.376 1.00 0.00 C ATOM 677 O TRP A 44 0.298 -3.614 0.749 1.00 0.00 O ATOM 678 CB TRP A 44 -2.080 -3.183 2.727 1.00 0.00 C ATOM 679 CG TRP A 44 -2.698 -2.878 4.062 1.00 0.00 C ATOM 680 CD1 TRP A 44 -2.384 -3.434 5.271 1.00 0.00 C ATOM 681 CD2 TRP A 44 -3.750 -1.941 4.315 1.00 0.00 C ATOM 682 NE1 TRP A 44 -3.171 -2.894 6.258 1.00 0.00 N ATOM 683 CE2 TRP A 44 -4.020 -1.976 5.697 1.00 0.00 C ATOM 684 CE3 TRP A 44 -4.490 -1.072 3.507 1.00 0.00 C ATOM 685 CZ2 TRP A 44 -4.996 -1.176 6.285 1.00 0.00 C ATOM 686 CZ3 TRP A 44 -5.460 -0.280 4.092 1.00 0.00 C ATOM 687 CH2 TRP A 44 -5.705 -0.336 5.470 1.00 0.00 C ATOM 0 H TRP A 44 0.509 -2.588 3.243 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.150 -5.042 3.278 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.783 -2.246 2.255 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.835 -3.638 2.086 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.627 -4.188 5.427 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -3.130 -3.137 7.248 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.307 -1.021 2.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.187 -1.217 7.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.038 0.393 3.477 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.469 0.296 5.898 1.00 0.00 H new ATOM 698 N GLU A 45 -0.744 -5.604 0.881 1.00 0.00 N ATOM 699 CA GLU A 45 -0.360 -6.024 -0.463 1.00 0.00 C ATOM 700 C GLU A 45 -1.551 -5.949 -1.413 1.00 0.00 C ATOM 701 O GLU A 45 -2.697 -6.137 -1.002 1.00 0.00 O ATOM 702 CB GLU A 45 0.191 -7.452 -0.438 1.00 0.00 C ATOM 703 CG GLU A 45 0.758 -7.912 -1.772 1.00 0.00 C ATOM 704 CD GLU A 45 1.192 -9.365 -1.751 1.00 0.00 C ATOM 705 OE1 GLU A 45 2.356 -9.632 -1.387 1.00 0.00 O ATOM 706 OE2 GLU A 45 0.367 -10.235 -2.100 1.00 0.00 O ATOM 0 H GLU A 45 -1.303 -6.288 1.391 1.00 0.00 H new ATOM 0 HA GLU A 45 0.417 -5.347 -0.820 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.971 -7.518 0.320 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.604 -8.134 -0.137 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.007 -7.772 -2.549 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.610 -7.286 -2.036 1.00 0.00 H new ATOM 713 N GLY A 46 -1.274 -5.673 -2.683 1.00 0.00 N ATOM 714 CA GLY A 46 -2.333 -5.577 -3.672 1.00 0.00 C ATOM 715 C GLY A 46 -1.816 -5.701 -5.092 1.00 0.00 C ATOM 716 O GLY A 46 -0.691 -6.150 -5.313 1.00 0.00 O ATOM 0 H GLY A 46 -0.334 -5.514 -3.046 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.070 -6.359 -3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.846 -4.622 -3.558 1.00 0.00 H new ATOM 720 N THR A 47 -2.637 -5.297 -6.057 1.00 0.00 N ATOM 721 CA THR A 47 -2.260 -5.365 -7.464 1.00 0.00 C ATOM 722 C THR A 47 -2.492 -4.027 -8.165 1.00 0.00 C ATOM 723 O THR A 47 -3.412 -3.285 -7.819 1.00 0.00 O ATOM 724 CB THR A 47 -3.048 -6.466 -8.202 1.00 0.00 C ATOM 725 OG1 THR A 47 -2.746 -7.747 -7.636 1.00 0.00 O ATOM 726 CG2 THR A 47 -2.721 -6.473 -9.688 1.00 0.00 C ATOM 0 H THR A 47 -3.569 -4.919 -5.889 1.00 0.00 H new ATOM 0 HA THR A 47 -1.197 -5.605 -7.496 1.00 0.00 H new ATOM 0 HB THR A 47 -4.111 -6.256 -8.085 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.251 -8.441 -8.109 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.291 -7.259 -10.182 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.982 -5.508 -10.122 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.655 -6.657 -9.825 1.00 0.00 H new ATOM 734 N LEU A 48 -1.650 -3.730 -9.152 1.00 0.00 N ATOM 735 CA LEU A 48 -1.762 -2.489 -9.910 1.00 0.00 C ATOM 736 C LEU A 48 -1.257 -2.686 -11.338 1.00 0.00 C ATOM 737 O LEU A 48 -0.564 -3.660 -11.630 1.00 0.00 O ATOM 738 CB LEU A 48 -0.987 -1.363 -9.216 1.00 0.00 C ATOM 739 CG LEU A 48 -1.204 0.039 -9.801 1.00 0.00 C ATOM 740 CD1 LEU A 48 -2.688 0.344 -9.928 1.00 0.00 C ATOM 741 CD2 LEU A 48 -0.522 1.089 -8.938 1.00 0.00 C ATOM 0 H LEU A 48 -0.882 -4.334 -9.445 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.814 -2.206 -9.953 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.267 -1.347 -8.163 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.077 -1.596 -9.259 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.760 0.065 -10.796 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.820 1.343 -10.345 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.155 -0.388 -10.586 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.155 0.297 -8.944 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.687 2.077 -9.368 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.938 1.058 -7.931 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.548 0.886 -8.895 1.00 0.00 H new ATOM 753 N ASN A 49 -1.619 -1.763 -12.225 1.00 0.00 N ATOM 754 CA ASN A 49 -1.210 -1.841 -13.626 1.00 0.00 C ATOM 755 C ASN A 49 0.305 -1.967 -13.767 1.00 0.00 C ATOM 756 O ASN A 49 1.047 -1.029 -13.477 1.00 0.00 O ATOM 757 CB ASN A 49 -1.705 -0.611 -14.392 1.00 0.00 C ATOM 758 CG ASN A 49 -1.382 0.687 -13.680 1.00 0.00 C ATOM 759 OD1 ASN A 49 -0.305 1.255 -13.855 1.00 0.00 O ATOM 760 ND2 ASN A 49 -2.320 1.167 -12.872 1.00 0.00 N ATOM 0 H ASN A 49 -2.195 -0.952 -11.999 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.661 -2.738 -14.050 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.253 -0.599 -15.384 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.783 -0.685 -14.533 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.161 2.039 -12.368 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.199 0.664 -12.756 1.00 0.00 H new ATOM 767 N GLY A 50 0.754 -3.139 -14.214 1.00 0.00 N ATOM 768 CA GLY A 50 2.176 -3.375 -14.405 1.00 0.00 C ATOM 769 C GLY A 50 2.974 -3.325 -13.114 1.00 0.00 C ATOM 770 O GLY A 50 4.205 -3.343 -13.142 1.00 0.00 O ATOM 0 H GLY A 50 0.156 -3.931 -14.448 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.315 -4.350 -14.872 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.571 -2.631 -15.097 1.00 0.00 H new ATOM 774 N ARG A 51 2.280 -3.264 -11.983 1.00 0.00 N ATOM 775 CA ARG A 51 2.942 -3.211 -10.683 1.00 0.00 C ATOM 776 C ARG A 51 2.288 -4.169 -9.693 1.00 0.00 C ATOM 777 O ARG A 51 1.071 -4.156 -9.513 1.00 0.00 O ATOM 778 CB ARG A 51 2.910 -1.783 -10.135 1.00 0.00 C ATOM 779 CG ARG A 51 3.579 -0.770 -11.051 1.00 0.00 C ATOM 780 CD ARG A 51 3.417 0.649 -10.531 1.00 0.00 C ATOM 781 NE ARG A 51 4.086 1.622 -11.390 1.00 0.00 N ATOM 782 CZ ARG A 51 4.021 2.937 -11.207 1.00 0.00 C ATOM 783 NH1 ARG A 51 3.318 3.435 -10.198 1.00 0.00 N ATOM 784 NH2 ARG A 51 4.662 3.754 -12.031 1.00 0.00 N ATOM 0 H ARG A 51 1.261 -3.250 -11.939 1.00 0.00 H new ATOM 0 HA ARG A 51 3.979 -3.520 -10.817 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.874 -1.487 -9.973 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.402 -1.764 -9.163 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.639 -1.006 -11.142 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.149 -0.843 -12.050 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.357 0.892 -10.464 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.824 0.715 -9.522 1.00 0.00 H new ATOM 0 HE ARG A 51 4.635 1.273 -12.176 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.826 2.808 -9.561 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.269 4.444 -10.059 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.205 3.374 -12.806 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.612 4.763 -11.890 1.00 0.00 H new ATOM 798 N THR A 52 3.106 -5.001 -9.051 1.00 0.00 N ATOM 799 CA THR A 52 2.608 -5.965 -8.075 1.00 0.00 C ATOM 800 C THR A 52 3.547 -6.063 -6.877 1.00 0.00 C ATOM 801 O THR A 52 4.765 -6.150 -7.037 1.00 0.00 O ATOM 802 CB THR A 52 2.442 -7.365 -8.695 1.00 0.00 C ATOM 803 OG1 THR A 52 1.691 -7.279 -9.911 1.00 0.00 O ATOM 804 CG2 THR A 52 1.736 -8.305 -7.726 1.00 0.00 C ATOM 0 H THR A 52 4.116 -5.026 -9.190 1.00 0.00 H new ATOM 0 HA THR A 52 1.633 -5.606 -7.747 1.00 0.00 H new ATOM 0 HB THR A 52 3.434 -7.762 -8.908 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.592 -8.174 -10.298 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.630 -9.288 -8.185 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.323 -8.393 -6.812 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.750 -7.907 -7.487 1.00 0.00 H new ATOM 812 N GLY A 53 2.976 -6.049 -5.677 1.00 0.00 N ATOM 813 CA GLY A 53 3.782 -6.140 -4.473 1.00 0.00 C ATOM 814 C GLY A 53 3.139 -5.452 -3.284 1.00 0.00 C ATOM 815 O GLY A 53 1.973 -5.058 -3.340 1.00 0.00 O ATOM 0 H GLY A 53 1.971 -5.976 -5.517 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.951 -7.190 -4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.759 -5.695 -4.660 1.00 0.00 H new ATOM 819 N TRP A 54 3.904 -5.309 -2.206 1.00 0.00 N ATOM 820 CA TRP A 54 3.413 -4.665 -0.993 1.00 0.00 C ATOM 821 C TRP A 54 3.482 -3.146 -1.111 1.00 0.00 C ATOM 822 O TRP A 54 4.238 -2.611 -1.923 1.00 0.00 O ATOM 823 CB TRP A 54 4.229 -5.124 0.217 1.00 0.00 C ATOM 824 CG TRP A 54 4.142 -6.596 0.477 1.00 0.00 C ATOM 825 CD1 TRP A 54 4.808 -7.587 -0.184 1.00 0.00 C ATOM 826 CD2 TRP A 54 3.343 -7.244 1.475 1.00 0.00 C ATOM 827 NE1 TRP A 54 4.472 -8.812 0.340 1.00 0.00 N ATOM 828 CE2 TRP A 54 3.574 -8.628 1.359 1.00 0.00 C ATOM 829 CE3 TRP A 54 2.455 -6.789 2.453 1.00 0.00 C ATOM 830 CZ2 TRP A 54 2.951 -9.558 2.186 1.00 0.00 C ATOM 831 CZ3 TRP A 54 1.837 -7.714 3.274 1.00 0.00 C ATOM 832 CH2 TRP A 54 2.086 -9.084 3.136 1.00 0.00 C ATOM 0 H TRP A 54 4.870 -5.632 -2.148 1.00 0.00 H new ATOM 0 HA TRP A 54 2.371 -4.955 -0.858 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.273 -4.852 0.064 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.885 -4.587 1.101 1.00 0.00 H new ATOM 0 HD1 TRP A 54 5.498 -7.431 -1.000 1.00 0.00 H new ATOM 0 HE1 TRP A 54 4.832 -9.712 0.022 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.255 -5.734 2.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 3.143 -10.616 2.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.150 -7.373 4.035 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.586 -9.781 3.792 1.00 0.00 H new ATOM 843 N PHE A 55 2.695 -2.457 -0.291 1.00 0.00 N ATOM 844 CA PHE A 55 2.672 -0.999 -0.298 1.00 0.00 C ATOM 845 C PHE A 55 2.363 -0.452 1.097 1.00 0.00 C ATOM 846 O PHE A 55 1.542 -1.015 1.821 1.00 0.00 O ATOM 847 CB PHE A 55 1.652 -0.477 -1.315 1.00 0.00 C ATOM 848 CG PHE A 55 0.258 -1.011 -1.128 1.00 0.00 C ATOM 849 CD1 PHE A 55 -0.619 -0.407 -0.241 1.00 0.00 C ATOM 850 CD2 PHE A 55 -0.179 -2.111 -1.850 1.00 0.00 C ATOM 851 CE1 PHE A 55 -1.905 -0.889 -0.077 1.00 0.00 C ATOM 852 CE2 PHE A 55 -1.463 -2.599 -1.690 1.00 0.00 C ATOM 853 CZ PHE A 55 -2.327 -1.988 -0.802 1.00 0.00 C ATOM 0 H PHE A 55 2.065 -2.885 0.387 1.00 0.00 H new ATOM 0 HA PHE A 55 3.662 -0.649 -0.592 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.622 0.611 -1.255 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.994 -0.732 -2.318 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.294 0.451 0.329 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.492 -2.593 -2.546 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.579 -0.408 0.616 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.790 -3.457 -2.259 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.330 -2.368 -0.674 1.00 0.00 H new ATOM 863 N PRO A 56 3.026 0.653 1.495 1.00 0.00 N ATOM 864 CA PRO A 56 2.818 1.268 2.813 1.00 0.00 C ATOM 865 C PRO A 56 1.351 1.580 3.081 1.00 0.00 C ATOM 866 O PRO A 56 0.611 1.946 2.170 1.00 0.00 O ATOM 867 CB PRO A 56 3.634 2.562 2.741 1.00 0.00 C ATOM 868 CG PRO A 56 4.670 2.301 1.704 1.00 0.00 C ATOM 869 CD PRO A 56 4.024 1.392 0.697 1.00 0.00 C ATOM 0 HA PRO A 56 3.122 0.603 3.622 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.007 3.411 2.469 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.088 2.797 3.704 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.999 3.230 1.238 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.552 1.835 2.142 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.556 1.955 -0.111 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.749 0.720 0.238 1.00 0.00 H new ATOM 877 N SER A 57 0.938 1.433 4.337 1.00 0.00 N ATOM 878 CA SER A 57 -0.443 1.700 4.724 1.00 0.00 C ATOM 879 C SER A 57 -0.618 3.153 5.153 1.00 0.00 C ATOM 880 O SER A 57 -1.738 3.659 5.223 1.00 0.00 O ATOM 881 CB SER A 57 -0.865 0.769 5.863 1.00 0.00 C ATOM 882 OG SER A 57 -0.099 1.011 7.031 1.00 0.00 O ATOM 0 H SER A 57 1.540 1.131 5.103 1.00 0.00 H new ATOM 0 HA SER A 57 -1.077 1.516 3.857 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.923 0.914 6.082 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.743 -0.269 5.553 1.00 0.00 H new ATOM 0 HG SER A 57 0.655 0.386 7.063 1.00 0.00 H new ATOM 888 N ASN A 58 0.497 3.819 5.438 1.00 0.00 N ATOM 889 CA ASN A 58 0.466 5.214 5.861 1.00 0.00 C ATOM 890 C ASN A 58 0.461 6.146 4.654 1.00 0.00 C ATOM 891 O ASN A 58 0.040 7.300 4.750 1.00 0.00 O ATOM 892 CB ASN A 58 1.666 5.524 6.759 1.00 0.00 C ATOM 893 CG ASN A 58 1.665 4.698 8.031 1.00 0.00 C ATOM 894 OD1 ASN A 58 0.610 4.310 8.534 1.00 0.00 O ATOM 895 ND2 ASN A 58 2.852 4.425 8.561 1.00 0.00 N ATOM 0 H ASN A 58 1.432 3.415 5.384 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.451 5.378 6.427 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.587 5.336 6.208 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.659 6.583 7.017 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.914 3.874 9.417 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.702 4.766 8.112 1.00 0.00 H new ATOM 902 N TYR A 59 0.929 5.637 3.520 1.00 0.00 N ATOM 903 CA TYR A 59 0.974 6.420 2.291 1.00 0.00 C ATOM 904 C TYR A 59 -0.270 6.181 1.444 1.00 0.00 C ATOM 905 O TYR A 59 -0.413 6.744 0.360 1.00 0.00 O ATOM 906 CB TYR A 59 2.232 6.078 1.488 1.00 0.00 C ATOM 907 CG TYR A 59 3.419 6.958 1.812 1.00 0.00 C ATOM 908 CD1 TYR A 59 3.802 7.186 3.128 1.00 0.00 C ATOM 909 CD2 TYR A 59 4.153 7.562 0.799 1.00 0.00 C ATOM 910 CE1 TYR A 59 4.885 7.992 3.425 1.00 0.00 C ATOM 911 CE2 TYR A 59 5.237 8.370 1.089 1.00 0.00 C ATOM 912 CZ TYR A 59 5.599 8.581 2.403 1.00 0.00 C ATOM 913 OH TYR A 59 6.677 9.383 2.695 1.00 0.00 O ATOM 0 H TYR A 59 1.283 4.685 3.426 1.00 0.00 H new ATOM 0 HA TYR A 59 1.003 7.475 2.564 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.500 5.038 1.675 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.008 6.163 0.425 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.245 6.726 3.931 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.873 7.398 -0.231 1.00 0.00 H new ATOM 0 HE1 TYR A 59 5.171 8.160 4.453 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.797 8.834 0.291 1.00 0.00 H new ATOM 0 HH TYR A 59 7.070 9.719 1.862 1.00 0.00 H new ATOM 923 N VAL A 60 -1.163 5.335 1.945 1.00 0.00 N ATOM 924 CA VAL A 60 -2.402 5.023 1.244 1.00 0.00 C ATOM 925 C VAL A 60 -3.599 5.149 2.182 1.00 0.00 C ATOM 926 O VAL A 60 -3.484 4.906 3.384 1.00 0.00 O ATOM 927 CB VAL A 60 -2.368 3.605 0.638 1.00 0.00 C ATOM 928 CG1 VAL A 60 -1.218 3.472 -0.348 1.00 0.00 C ATOM 929 CG2 VAL A 60 -2.265 2.552 1.732 1.00 0.00 C ATOM 0 H VAL A 60 -1.051 4.852 2.836 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.503 5.743 0.432 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.301 3.442 0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.211 2.465 -0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.343 4.197 -1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.275 3.659 0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.243 1.560 1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.352 2.711 2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.127 2.630 2.394 1.00 0.00 H new ATOM 939 N ARG A 61 -4.747 5.531 1.631 1.00 0.00 N ATOM 940 CA ARG A 61 -5.958 5.691 2.429 1.00 0.00 C ATOM 941 C ARG A 61 -7.161 5.075 1.724 1.00 0.00 C ATOM 942 O ARG A 61 -7.331 5.228 0.514 1.00 0.00 O ATOM 943 CB ARG A 61 -6.215 7.173 2.725 1.00 0.00 C ATOM 944 CG ARG A 61 -6.411 8.030 1.483 1.00 0.00 C ATOM 945 CD ARG A 61 -7.883 8.184 1.135 1.00 0.00 C ATOM 946 NE ARG A 61 -8.624 8.870 2.189 1.00 0.00 N ATOM 947 CZ ARG A 61 -9.943 9.029 2.182 1.00 0.00 C ATOM 948 NH1 ARG A 61 -10.666 8.551 1.178 1.00 0.00 N ATOM 949 NH2 ARG A 61 -10.541 9.666 3.180 1.00 0.00 N ATOM 0 H ARG A 61 -4.864 5.735 0.638 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.811 5.167 3.373 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.100 7.258 3.355 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.376 7.569 3.298 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.970 9.014 1.646 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.883 7.579 0.642 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.979 8.741 0.203 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.321 7.200 0.965 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.099 9.249 2.977 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.209 8.060 0.409 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.679 8.674 1.175 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.988 10.034 3.954 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.554 9.787 3.173 1.00 0.00 H new ATOM 963 N GLU A 62 -7.984 4.368 2.491 1.00 0.00 N ATOM 964 CA GLU A 62 -9.174 3.716 1.954 1.00 0.00 C ATOM 965 C GLU A 62 -10.037 4.706 1.178 1.00 0.00 C ATOM 966 O GLU A 62 -10.603 5.636 1.753 1.00 0.00 O ATOM 967 CB GLU A 62 -9.988 3.089 3.086 1.00 0.00 C ATOM 968 CG GLU A 62 -11.156 2.244 2.605 1.00 0.00 C ATOM 969 CD GLU A 62 -11.955 1.651 3.748 1.00 0.00 C ATOM 970 OE1 GLU A 62 -11.520 0.623 4.306 1.00 0.00 O ATOM 971 OE2 GLU A 62 -13.017 2.216 4.086 1.00 0.00 O ATOM 0 H GLU A 62 -7.848 4.231 3.493 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.851 2.932 1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.329 2.469 3.695 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.366 3.882 3.731 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.812 2.856 1.987 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.781 1.439 1.972 1.00 0.00 H new ATOM 978 N VAL A 63 -10.134 4.496 -0.131 1.00 0.00 N ATOM 979 CA VAL A 63 -10.927 5.367 -0.990 1.00 0.00 C ATOM 980 C VAL A 63 -12.301 4.761 -1.262 1.00 0.00 C ATOM 981 O VAL A 63 -12.446 3.541 -1.345 1.00 0.00 O ATOM 982 CB VAL A 63 -10.211 5.634 -2.330 1.00 0.00 C ATOM 983 CG1 VAL A 63 -10.004 4.339 -3.101 1.00 0.00 C ATOM 984 CG2 VAL A 63 -10.988 6.641 -3.165 1.00 0.00 C ATOM 0 H VAL A 63 -9.672 3.729 -0.620 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.051 6.313 -0.463 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.231 6.058 -2.112 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.497 4.553 -4.042 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.395 3.656 -2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.971 3.879 -3.306 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.465 6.814 -4.106 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -11.985 6.251 -3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.072 7.580 -2.618 1.00 0.00 H new ATOM 994 N LYS A 64 -13.306 5.621 -1.399 1.00 0.00 N ATOM 995 CA LYS A 64 -14.667 5.170 -1.657 1.00 0.00 C ATOM 996 C LYS A 64 -15.442 6.213 -2.456 1.00 0.00 C ATOM 997 O LYS A 64 -15.170 7.410 -2.360 1.00 0.00 O ATOM 998 CB LYS A 64 -15.389 4.878 -0.340 1.00 0.00 C ATOM 999 CG LYS A 64 -15.480 6.082 0.585 1.00 0.00 C ATOM 1000 CD LYS A 64 -16.164 5.728 1.895 1.00 0.00 C ATOM 1001 CE LYS A 64 -16.261 6.932 2.819 1.00 0.00 C ATOM 1002 NZ LYS A 64 -17.069 8.028 2.218 1.00 0.00 N ATOM 0 H LYS A 64 -13.202 6.634 -1.335 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.615 4.253 -2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -16.396 4.521 -0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.870 4.071 0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.479 6.463 0.787 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -16.031 6.881 0.090 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -17.163 5.343 1.692 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.610 4.931 2.392 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.708 6.628 3.766 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.260 7.300 3.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -17.297 8.732 2.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.525 8.483 1.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.950 7.636 1.828 1.00 0.00 H new ATOM 1016 N ALA A 65 -16.409 5.751 -3.241 1.00 0.00 N ATOM 1017 CA ALA A 65 -17.224 6.644 -4.057 1.00 0.00 C ATOM 1018 C ALA A 65 -18.537 5.978 -4.454 1.00 0.00 C ATOM 1019 O ALA A 65 -18.559 5.285 -5.491 1.00 0.00 O ATOM 1020 CB ALA A 65 -16.453 7.078 -5.295 1.00 0.00 C ATOM 1021 OXT ALA A 65 -19.533 6.155 -3.721 1.00 0.00 O ATOM 0 H ALA A 65 -16.648 4.763 -3.330 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.460 7.527 -3.462 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.073 7.744 -5.895 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -15.545 7.601 -4.994 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.188 6.200 -5.885 1.00 0.00 H new TER 1027 ALA A 65 ATOM 1028 N ASP B 183 -6.487 17.840 6.592 1.00 0.00 N ATOM 1029 CA ASP B 183 -6.072 18.999 7.426 1.00 0.00 C ATOM 1030 C ASP B 183 -4.722 18.744 8.087 1.00 0.00 C ATOM 1031 O ASP B 183 -4.014 19.683 8.452 1.00 0.00 O ATOM 1032 CB ASP B 183 -7.127 19.284 8.497 1.00 0.00 C ATOM 1033 CG ASP B 183 -8.416 19.827 7.910 1.00 0.00 C ATOM 1034 OD1 ASP B 183 -9.155 19.045 7.278 1.00 0.00 O ATOM 1035 OD2 ASP B 183 -8.687 21.033 8.088 1.00 0.00 O ATOM 0 HA ASP B 183 -5.977 19.866 6.773 1.00 0.00 H new ATOM 0 HB2 ASP B 183 -7.339 18.367 9.047 1.00 0.00 H new ATOM 0 HB3 ASP B 183 -6.728 20.001 9.215 1.00 0.00 H new ATOM 1042 N ALA B 184 -4.368 17.470 8.239 1.00 0.00 N ATOM 1043 CA ALA B 184 -3.101 17.101 8.858 1.00 0.00 C ATOM 1044 C ALA B 184 -2.680 15.687 8.472 1.00 0.00 C ATOM 1045 O ALA B 184 -3.517 14.794 8.338 1.00 0.00 O ATOM 1046 CB ALA B 184 -3.198 17.227 10.371 1.00 0.00 C ATOM 0 H ALA B 184 -4.940 16.679 7.942 1.00 0.00 H new ATOM 0 HA ALA B 184 -2.338 17.787 8.490 1.00 0.00 H new ATOM 0 HB1 ALA B 184 -2.245 16.949 10.821 1.00 0.00 H new ATOM 0 HB2 ALA B 184 -3.437 18.257 10.636 1.00 0.00 H new ATOM 0 HB3 ALA B 184 -3.981 16.566 10.742 1.00 0.00 H new ATOM 1052 N THR B 185 -1.377 15.495 8.296 1.00 0.00 N ATOM 1053 CA THR B 185 -0.836 14.192 7.930 1.00 0.00 C ATOM 1054 C THR B 185 -0.639 13.318 9.168 1.00 0.00 C ATOM 1055 O THR B 185 -0.427 13.831 10.267 1.00 0.00 O ATOM 1056 CB THR B 185 0.512 14.333 7.198 1.00 0.00 C ATOM 1057 OG1 THR B 185 1.416 15.120 7.982 1.00 0.00 O ATOM 1058 CG2 THR B 185 0.323 14.977 5.833 1.00 0.00 C ATOM 0 H THR B 185 -0.675 16.227 8.401 1.00 0.00 H new ATOM 0 HA THR B 185 -1.557 13.721 7.262 1.00 0.00 H new ATOM 0 HB THR B 185 0.929 13.336 7.056 1.00 0.00 H new ATOM 0 HG1 THR B 185 2.271 15.203 7.510 1.00 0.00 H new ATOM 0 HG21 THR B 185 1.289 15.066 5.336 1.00 0.00 H new ATOM 0 HG22 THR B 185 -0.341 14.360 5.228 1.00 0.00 H new ATOM 0 HG23 THR B 185 -0.114 15.968 5.956 1.00 0.00 H new ATOM 1066 N PRO B 186 -0.706 11.981 9.011 1.00 0.00 N ATOM 1067 CA PRO B 186 -0.529 11.051 10.131 1.00 0.00 C ATOM 1068 C PRO B 186 0.911 11.031 10.638 1.00 0.00 C ATOM 1069 O PRO B 186 1.849 11.020 9.841 1.00 0.00 O ATOM 1070 CB PRO B 186 -0.900 9.694 9.531 1.00 0.00 C ATOM 1071 CG PRO B 186 -0.636 9.841 8.073 1.00 0.00 C ATOM 1072 CD PRO B 186 -0.956 11.272 7.741 1.00 0.00 C ATOM 0 HA PRO B 186 -1.136 11.329 10.993 1.00 0.00 H new ATOM 0 HB2 PRO B 186 -0.301 8.893 9.963 1.00 0.00 H new ATOM 0 HB3 PRO B 186 -1.945 9.449 9.722 1.00 0.00 H new ATOM 0 HG2 PRO B 186 0.403 9.608 7.838 1.00 0.00 H new ATOM 0 HG3 PRO B 186 -1.255 9.157 7.493 1.00 0.00 H new ATOM 0 HD2 PRO B 186 -0.323 11.650 6.938 1.00 0.00 H new ATOM 0 HD3 PRO B 186 -1.989 11.387 7.413 1.00 0.00 H new ATOM 1080 N PRO B 187 1.110 11.029 11.972 1.00 0.00 N ATOM 1081 CA PRO B 187 2.451 11.008 12.567 1.00 0.00 C ATOM 1082 C PRO B 187 3.356 9.920 11.972 1.00 0.00 C ATOM 1083 O PRO B 187 4.502 10.202 11.621 1.00 0.00 O ATOM 1084 CB PRO B 187 2.181 10.752 14.051 1.00 0.00 C ATOM 1085 CG PRO B 187 0.815 11.300 14.280 1.00 0.00 C ATOM 1086 CD PRO B 187 0.053 11.058 13.006 1.00 0.00 C ATOM 0 HA PRO B 187 2.990 11.936 12.377 1.00 0.00 H new ATOM 0 HB2 PRO B 187 2.227 9.688 14.285 1.00 0.00 H new ATOM 0 HB3 PRO B 187 2.919 11.249 14.681 1.00 0.00 H new ATOM 0 HG2 PRO B 187 0.333 10.806 15.123 1.00 0.00 H new ATOM 0 HG3 PRO B 187 0.855 12.364 14.515 1.00 0.00 H new ATOM 0 HD2 PRO B 187 -0.500 10.119 13.041 1.00 0.00 H new ATOM 0 HD3 PRO B 187 -0.673 11.849 12.816 1.00 0.00 H new ATOM 1094 N PRO B 188 2.874 8.661 11.847 1.00 0.00 N ATOM 1095 CA PRO B 188 3.679 7.574 11.283 1.00 0.00 C ATOM 1096 C PRO B 188 3.728 7.624 9.759 1.00 0.00 C ATOM 1097 O PRO B 188 2.692 7.689 9.096 1.00 0.00 O ATOM 1098 CB PRO B 188 2.944 6.322 11.753 1.00 0.00 C ATOM 1099 CG PRO B 188 1.518 6.740 11.826 1.00 0.00 C ATOM 1100 CD PRO B 188 1.528 8.188 12.244 1.00 0.00 C ATOM 0 HA PRO B 188 4.720 7.622 11.602 1.00 0.00 H new ATOM 0 HB2 PRO B 188 3.081 5.495 11.056 1.00 0.00 H new ATOM 0 HB3 PRO B 188 3.310 5.986 12.723 1.00 0.00 H new ATOM 0 HG2 PRO B 188 1.026 6.616 10.861 1.00 0.00 H new ATOM 0 HG3 PRO B 188 0.970 6.131 12.544 1.00 0.00 H new ATOM 0 HD2 PRO B 188 0.742 8.754 11.745 1.00 0.00 H new ATOM 0 HD3 PRO B 188 1.366 8.296 13.317 1.00 0.00 H new ATOM 1108 N VAL B 189 4.937 7.594 9.208 1.00 0.00 N ATOM 1109 CA VAL B 189 5.121 7.637 7.762 1.00 0.00 C ATOM 1110 C VAL B 189 5.473 6.260 7.207 1.00 0.00 C ATOM 1111 O VAL B 189 6.164 5.476 7.857 1.00 0.00 O ATOM 1112 CB VAL B 189 6.221 8.638 7.363 1.00 0.00 C ATOM 1113 CG1 VAL B 189 5.792 10.061 7.689 1.00 0.00 C ATOM 1114 CG2 VAL B 189 7.531 8.297 8.058 1.00 0.00 C ATOM 0 H VAL B 189 5.805 7.540 9.742 1.00 0.00 H new ATOM 0 HA VAL B 189 4.173 7.963 7.335 1.00 0.00 H new ATOM 0 HB VAL B 189 6.378 8.567 6.287 1.00 0.00 H new ATOM 0 HG11 VAL B 189 6.582 10.754 7.400 1.00 0.00 H new ATOM 0 HG12 VAL B 189 4.881 10.301 7.141 1.00 0.00 H new ATOM 0 HG13 VAL B 189 5.606 10.149 8.759 1.00 0.00 H new ATOM 0 HG21 VAL B 189 8.297 9.015 7.764 1.00 0.00 H new ATOM 0 HG22 VAL B 189 7.391 8.338 9.138 1.00 0.00 H new ATOM 0 HG23 VAL B 189 7.845 7.294 7.770 1.00 0.00 H new ATOM 1124 N ILE B 190 4.990 5.980 5.998 1.00 0.00 N ATOM 1125 CA ILE B 190 5.244 4.704 5.334 1.00 0.00 C ATOM 1126 C ILE B 190 4.665 3.531 6.129 1.00 0.00 C ATOM 1127 O ILE B 190 3.555 3.078 5.850 1.00 0.00 O ATOM 1128 CB ILE B 190 6.754 4.485 5.089 1.00 0.00 C ATOM 1129 CG1 ILE B 190 7.308 5.599 4.197 1.00 0.00 C ATOM 1130 CG2 ILE B 190 7.002 3.121 4.458 1.00 0.00 C ATOM 1131 CD1 ILE B 190 8.813 5.566 4.043 1.00 0.00 C ATOM 0 H ILE B 190 4.416 6.626 5.455 1.00 0.00 H new ATOM 0 HA ILE B 190 4.741 4.745 4.368 1.00 0.00 H new ATOM 0 HB ILE B 190 7.271 4.515 6.048 1.00 0.00 H new ATOM 0 HG12 ILE B 190 6.849 5.524 3.211 1.00 0.00 H new ATOM 0 HG13 ILE B 190 7.016 6.563 4.612 1.00 0.00 H new ATOM 0 HG21 ILE B 190 8.071 2.985 4.293 1.00 0.00 H new ATOM 0 HG22 ILE B 190 6.636 2.340 5.124 1.00 0.00 H new ATOM 0 HG23 ILE B 190 6.477 3.060 3.505 1.00 0.00 H new ATOM 0 HD11 ILE B 190 9.131 6.385 3.398 1.00 0.00 H new ATOM 0 HD12 ILE B 190 9.281 5.672 5.022 1.00 0.00 H new ATOM 0 HD13 ILE B 190 9.113 4.617 3.599 1.00 0.00 H new ATOM 1143 N ALA B 191 5.411 3.046 7.123 1.00 0.00 N ATOM 1144 CA ALA B 191 4.955 1.925 7.942 1.00 0.00 C ATOM 1145 C ALA B 191 5.909 1.669 9.109 1.00 0.00 C ATOM 1146 O ALA B 191 7.112 1.903 8.998 1.00 0.00 O ATOM 1147 CB ALA B 191 4.816 0.670 7.094 1.00 0.00 C ATOM 0 H ALA B 191 6.329 3.411 7.378 1.00 0.00 H new ATOM 0 HA ALA B 191 3.979 2.185 8.352 1.00 0.00 H new ATOM 0 HB1 ALA B 191 4.476 -0.156 7.719 1.00 0.00 H new ATOM 0 HB2 ALA B 191 4.091 0.846 6.299 1.00 0.00 H new ATOM 0 HB3 ALA B 191 5.782 0.419 6.655 1.00 0.00 H new ATOM 1153 N PRO B 192 5.379 1.181 10.247 1.00 0.00 N ATOM 1154 CA PRO B 192 6.183 0.889 11.436 1.00 0.00 C ATOM 1155 C PRO B 192 6.897 -0.457 11.345 1.00 0.00 C ATOM 1156 O PRO B 192 6.397 -1.468 11.842 1.00 0.00 O ATOM 1157 CB PRO B 192 5.137 0.858 12.546 1.00 0.00 C ATOM 1158 CG PRO B 192 3.911 0.343 11.875 1.00 0.00 C ATOM 1159 CD PRO B 192 3.947 0.888 10.470 1.00 0.00 C ATOM 0 HA PRO B 192 6.979 1.619 11.585 1.00 0.00 H new ATOM 0 HB2 PRO B 192 5.445 0.209 13.366 1.00 0.00 H new ATOM 0 HB3 PRO B 192 4.974 1.850 12.968 1.00 0.00 H new ATOM 0 HG2 PRO B 192 3.897 -0.747 11.871 1.00 0.00 H new ATOM 0 HG3 PRO B 192 3.013 0.671 12.398 1.00 0.00 H new ATOM 0 HD2 PRO B 192 3.569 0.163 9.749 1.00 0.00 H new ATOM 0 HD3 PRO B 192 3.334 1.784 10.372 1.00 0.00 H new ATOM 1167 N ARG B 193 8.064 -0.469 10.706 1.00 0.00 N ATOM 1168 CA ARG B 193 8.840 -1.698 10.559 1.00 0.00 C ATOM 1169 C ARG B 193 10.339 -1.410 10.633 1.00 0.00 C ATOM 1170 O ARG B 193 10.804 -0.389 10.128 1.00 0.00 O ATOM 1171 CB ARG B 193 8.507 -2.388 9.234 1.00 0.00 C ATOM 1172 CG ARG B 193 7.075 -2.891 9.146 1.00 0.00 C ATOM 1173 CD ARG B 193 6.802 -3.989 10.164 1.00 0.00 C ATOM 1174 NE ARG B 193 5.426 -4.473 10.089 1.00 0.00 N ATOM 1175 CZ ARG B 193 4.860 -5.240 11.017 1.00 0.00 C ATOM 1176 NH1 ARG B 193 5.548 -5.607 12.090 1.00 0.00 N ATOM 1177 NH2 ARG B 193 3.603 -5.636 10.873 1.00 0.00 N ATOM 0 H ARG B 193 8.492 0.355 10.283 1.00 0.00 H new ATOM 0 HA ARG B 193 8.574 -2.362 11.381 1.00 0.00 H new ATOM 0 HB2 ARG B 193 8.688 -1.690 8.416 1.00 0.00 H new ATOM 0 HB3 ARG B 193 9.187 -3.228 9.092 1.00 0.00 H new ATOM 0 HG2 ARG B 193 6.387 -2.062 9.311 1.00 0.00 H new ATOM 0 HG3 ARG B 193 6.883 -3.269 8.142 1.00 0.00 H new ATOM 0 HD2 ARG B 193 7.488 -4.819 9.995 1.00 0.00 H new ATOM 0 HD3 ARG B 193 6.999 -3.611 11.167 1.00 0.00 H new ATOM 0 HE ARG B 193 4.867 -4.208 9.278 1.00 0.00 H new ATOM 0 HH11 ARG B 193 6.514 -5.301 12.206 1.00 0.00 H new ATOM 0 HH12 ARG B 193 5.111 -6.195 12.800 1.00 0.00 H new ATOM 0 HH21 ARG B 193 3.070 -5.353 10.051 1.00 0.00 H new ATOM 0 HH22 ARG B 193 3.169 -6.224 11.584 1.00 0.00 H new ATOM 1191 N PRO B 194 11.117 -2.312 11.265 1.00 0.00 N ATOM 1192 CA PRO B 194 12.563 -2.149 11.400 1.00 0.00 C ATOM 1193 C PRO B 194 13.321 -2.666 10.182 1.00 0.00 C ATOM 1194 O PRO B 194 12.724 -2.977 9.151 1.00 0.00 O ATOM 1195 CB PRO B 194 12.876 -3.000 12.625 1.00 0.00 C ATOM 1196 CG PRO B 194 11.892 -4.118 12.560 1.00 0.00 C ATOM 1197 CD PRO B 194 10.651 -3.562 11.904 1.00 0.00 C ATOM 0 HA PRO B 194 12.860 -1.104 11.490 1.00 0.00 H new ATOM 0 HB2 PRO B 194 13.901 -3.371 12.600 1.00 0.00 H new ATOM 0 HB3 PRO B 194 12.766 -2.427 13.546 1.00 0.00 H new ATOM 0 HG2 PRO B 194 12.292 -4.954 11.986 1.00 0.00 H new ATOM 0 HG3 PRO B 194 11.667 -4.495 13.558 1.00 0.00 H new ATOM 0 HD2 PRO B 194 10.241 -4.257 11.171 1.00 0.00 H new ATOM 0 HD3 PRO B 194 9.865 -3.369 12.634 1.00 0.00 H new ATOM 1205 N GLU B 195 14.642 -2.757 10.308 1.00 0.00 N ATOM 1206 CA GLU B 195 15.486 -3.237 9.219 1.00 0.00 C ATOM 1207 C GLU B 195 15.224 -4.714 8.940 1.00 0.00 C ATOM 1208 O GLU B 195 15.235 -5.149 7.789 1.00 0.00 O ATOM 1209 CB GLU B 195 16.962 -3.026 9.563 1.00 0.00 C ATOM 1210 CG GLU B 195 17.916 -3.446 8.455 1.00 0.00 C ATOM 1211 CD GLU B 195 17.814 -2.559 7.229 1.00 0.00 C ATOM 1212 OE1 GLU B 195 16.902 -2.785 6.407 1.00 0.00 O ATOM 1213 OE2 GLU B 195 18.647 -1.638 7.091 1.00 0.00 O ATOM 0 H GLU B 195 15.151 -2.504 11.155 1.00 0.00 H new ATOM 0 HA GLU B 195 15.242 -2.667 8.322 1.00 0.00 H new ATOM 0 HB2 GLU B 195 17.126 -1.973 9.791 1.00 0.00 H new ATOM 0 HB3 GLU B 195 17.199 -3.588 10.466 1.00 0.00 H new ATOM 0 HG2 GLU B 195 18.938 -3.421 8.832 1.00 0.00 H new ATOM 0 HG3 GLU B 195 17.706 -4.477 8.171 1.00 0.00 H new ATOM 1220 N HIS B 196 14.987 -5.479 10.001 1.00 0.00 N ATOM 1221 CA HIS B 196 14.727 -6.909 9.873 1.00 0.00 C ATOM 1222 C HIS B 196 13.233 -7.188 9.744 1.00 0.00 C ATOM 1223 O HIS B 196 12.407 -6.435 10.257 1.00 0.00 O ATOM 1224 CB HIS B 196 15.294 -7.664 11.078 1.00 0.00 C ATOM 1225 CG HIS B 196 14.720 -7.219 12.388 1.00 0.00 C ATOM 1226 ND1 HIS B 196 13.724 -7.910 13.048 1.00 0.00 N ATOM 1227 CD2 HIS B 196 15.007 -6.147 13.163 1.00 0.00 C ATOM 1228 CE1 HIS B 196 13.423 -7.281 14.170 1.00 0.00 C ATOM 1229 NE2 HIS B 196 14.188 -6.209 14.264 1.00 0.00 N ATOM 0 H HIS B 196 14.970 -5.132 10.960 1.00 0.00 H new ATOM 0 HA HIS B 196 15.221 -7.258 8.966 1.00 0.00 H new ATOM 0 HB2 HIS B 196 15.104 -8.730 10.951 1.00 0.00 H new ATOM 0 HB3 HIS B 196 16.376 -7.534 11.102 1.00 0.00 H new ATOM 0 HD2 HIS B 196 15.743 -5.385 12.954 1.00 0.00 H new ATOM 0 HE1 HIS B 196 12.678 -7.591 14.888 1.00 0.00 H new ATOM 0 HE2 HIS B 196 14.173 -5.536 15.030 1.00 0.00 H new ATOM 1238 N THR B 197 12.904 -8.281 9.052 1.00 0.00 N ATOM 1239 CA THR B 197 11.515 -8.697 8.840 1.00 0.00 C ATOM 1240 C THR B 197 10.709 -7.634 8.095 1.00 0.00 C ATOM 1241 O THR B 197 10.984 -6.439 8.197 1.00 0.00 O ATOM 1242 CB THR B 197 10.804 -9.033 10.167 1.00 0.00 C ATOM 1243 OG1 THR B 197 10.485 -7.833 10.882 1.00 0.00 O ATOM 1244 CG2 THR B 197 11.677 -9.927 11.035 1.00 0.00 C ATOM 0 H THR B 197 13.591 -8.902 8.624 1.00 0.00 H new ATOM 0 HA THR B 197 11.563 -9.598 8.228 1.00 0.00 H new ATOM 0 HB THR B 197 9.882 -9.564 9.929 1.00 0.00 H new ATOM 0 HG1 THR B 197 11.059 -7.103 10.568 1.00 0.00 H new ATOM 0 HG21 THR B 197 11.156 -10.151 11.966 1.00 0.00 H new ATOM 0 HG22 THR B 197 11.888 -10.855 10.504 1.00 0.00 H new ATOM 0 HG23 THR B 197 12.613 -9.416 11.258 1.00 0.00 H new ATOM 1252 N LYS B 198 9.712 -8.088 7.339 1.00 0.00 N ATOM 1253 CA LYS B 198 8.852 -7.190 6.571 1.00 0.00 C ATOM 1254 C LYS B 198 9.674 -6.301 5.641 1.00 0.00 C ATOM 1255 O LYS B 198 9.217 -5.239 5.219 1.00 0.00 O ATOM 1256 CB LYS B 198 8.006 -6.329 7.515 1.00 0.00 C ATOM 1257 CG LYS B 198 7.019 -7.131 8.351 1.00 0.00 C ATOM 1258 CD LYS B 198 5.984 -7.828 7.482 1.00 0.00 C ATOM 1259 CE LYS B 198 5.060 -8.709 8.308 1.00 0.00 C ATOM 1260 NZ LYS B 198 4.293 -7.922 9.314 1.00 0.00 N ATOM 0 H LYS B 198 9.479 -9.076 7.242 1.00 0.00 H new ATOM 0 HA LYS B 198 8.190 -7.801 5.957 1.00 0.00 H new ATOM 0 HB2 LYS B 198 8.669 -5.776 8.181 1.00 0.00 H new ATOM 0 HB3 LYS B 198 7.458 -5.592 6.928 1.00 0.00 H new ATOM 0 HG2 LYS B 198 7.559 -7.873 8.940 1.00 0.00 H new ATOM 0 HG3 LYS B 198 6.516 -6.469 9.056 1.00 0.00 H new ATOM 0 HD2 LYS B 198 5.395 -7.082 6.948 1.00 0.00 H new ATOM 0 HD3 LYS B 198 6.489 -8.434 6.730 1.00 0.00 H new ATOM 0 HE2 LYS B 198 4.366 -9.227 7.647 1.00 0.00 H new ATOM 0 HE3 LYS B 198 5.647 -9.474 8.816 1.00 0.00 H new ATOM 0 HZ1 LYS B 198 3.422 -8.432 9.563 1.00 0.00 H new ATOM 0 HZ2 LYS B 198 4.873 -7.790 10.167 1.00 0.00 H new ATOM 0 HZ3 LYS B 198 4.048 -6.993 8.915 1.00 0.00 H new ATOM 1274 N SER B 199 10.882 -6.749 5.316 1.00 0.00 N ATOM 1275 CA SER B 199 11.767 -5.997 4.434 1.00 0.00 C ATOM 1276 C SER B 199 12.559 -6.938 3.530 1.00 0.00 C ATOM 1277 O SER B 199 12.537 -8.155 3.717 1.00 0.00 O ATOM 1278 CB SER B 199 12.725 -5.132 5.253 1.00 0.00 C ATOM 1279 OG SER B 199 12.015 -4.207 6.058 1.00 0.00 O ATOM 0 H SER B 199 11.271 -7.630 5.651 1.00 0.00 H new ATOM 0 HA SER B 199 11.152 -5.350 3.808 1.00 0.00 H new ATOM 0 HB2 SER B 199 13.345 -5.768 5.885 1.00 0.00 H new ATOM 0 HB3 SER B 199 13.398 -4.595 4.584 1.00 0.00 H new ATOM 0 HG SER B 199 11.609 -4.677 6.816 1.00 0.00 H new ATOM 1285 N VAL B 200 13.257 -6.367 2.554 1.00 0.00 N ATOM 1286 CA VAL B 200 14.055 -7.151 1.624 1.00 0.00 C ATOM 1287 C VAL B 200 15.459 -6.568 1.490 1.00 0.00 C ATOM 1288 O VAL B 200 15.948 -5.891 2.395 1.00 0.00 O ATOM 1289 CB VAL B 200 13.389 -7.213 0.235 1.00 0.00 C ATOM 1290 CG1 VAL B 200 12.058 -7.946 0.313 1.00 0.00 C ATOM 1291 CG2 VAL B 200 13.201 -5.814 -0.331 1.00 0.00 C ATOM 0 H VAL B 200 13.285 -5.361 2.388 1.00 0.00 H new ATOM 0 HA VAL B 200 14.125 -8.162 2.025 1.00 0.00 H new ATOM 0 HB VAL B 200 14.045 -7.767 -0.437 1.00 0.00 H new ATOM 0 HG11 VAL B 200 11.603 -7.980 -0.677 1.00 0.00 H new ATOM 0 HG12 VAL B 200 12.223 -8.962 0.672 1.00 0.00 H new ATOM 0 HG13 VAL B 200 11.394 -7.422 1.000 1.00 0.00 H new ATOM 0 HG21 VAL B 200 12.730 -5.879 -1.312 1.00 0.00 H new ATOM 0 HG22 VAL B 200 12.567 -5.233 0.339 1.00 0.00 H new ATOM 0 HG23 VAL B 200 14.171 -5.327 -0.426 1.00 0.00 H new ATOM 1301 N TYR B 201 16.100 -6.834 0.360 1.00 0.00 N ATOM 1302 CA TYR B 201 17.449 -6.340 0.109 1.00 0.00 C ATOM 1303 C TYR B 201 17.426 -4.856 -0.243 1.00 0.00 C ATOM 1304 O TYR B 201 16.362 -4.243 -0.322 1.00 0.00 O ATOM 1305 CB TYR B 201 18.105 -7.135 -1.022 1.00 0.00 C ATOM 1306 CG TYR B 201 18.117 -8.628 -0.781 1.00 0.00 C ATOM 1307 CD1 TYR B 201 19.151 -9.229 -0.074 1.00 0.00 C ATOM 1308 CD2 TYR B 201 17.094 -9.434 -1.261 1.00 0.00 C ATOM 1309 CE1 TYR B 201 19.162 -10.593 0.150 1.00 0.00 C ATOM 1310 CE2 TYR B 201 17.099 -10.799 -1.041 1.00 0.00 C ATOM 1311 CZ TYR B 201 18.135 -11.373 -0.335 1.00 0.00 C ATOM 1312 OH TYR B 201 18.142 -12.732 -0.114 1.00 0.00 O ATOM 0 H TYR B 201 15.707 -7.390 -0.399 1.00 0.00 H new ATOM 0 HA TYR B 201 18.033 -6.471 1.020 1.00 0.00 H new ATOM 0 HB2 TYR B 201 17.578 -6.929 -1.953 1.00 0.00 H new ATOM 0 HB3 TYR B 201 19.130 -6.788 -1.153 1.00 0.00 H new ATOM 0 HD1 TYR B 201 19.959 -8.621 0.306 1.00 0.00 H new ATOM 0 HD2 TYR B 201 16.281 -8.988 -1.815 1.00 0.00 H new ATOM 0 HE1 TYR B 201 19.972 -11.045 0.703 1.00 0.00 H new ATOM 0 HE2 TYR B 201 16.295 -11.413 -1.420 1.00 0.00 H new ATOM 0 HH TYR B 201 17.346 -13.134 -0.521 1.00 0.00 H new ATOM 1322 N THR B 202 18.609 -4.286 -0.455 1.00 0.00 N ATOM 1323 CA THR B 202 18.728 -2.874 -0.797 1.00 0.00 C ATOM 1324 C THR B 202 18.168 -2.588 -2.187 1.00 0.00 C ATOM 1325 O THR B 202 17.746 -3.501 -2.897 1.00 0.00 O ATOM 1326 CB THR B 202 20.194 -2.406 -0.737 1.00 0.00 C ATOM 1327 OG1 THR B 202 21.018 -3.267 -1.533 1.00 0.00 O ATOM 1328 CG2 THR B 202 20.699 -2.395 0.698 1.00 0.00 C ATOM 0 H THR B 202 19.499 -4.782 -0.396 1.00 0.00 H new ATOM 0 HA THR B 202 18.146 -2.322 -0.059 1.00 0.00 H new ATOM 0 HB THR B 202 20.245 -1.391 -1.132 1.00 0.00 H new ATOM 0 HG1 THR B 202 21.948 -2.961 -1.490 1.00 0.00 H new ATOM 0 HG21 THR B 202 21.736 -2.061 0.716 1.00 0.00 H new ATOM 0 HG22 THR B 202 20.089 -1.716 1.293 1.00 0.00 H new ATOM 0 HG23 THR B 202 20.634 -3.400 1.114 1.00 0.00 H new ATOM 1336 N ARG B 203 18.168 -1.314 -2.567 1.00 0.00 N ATOM 1337 CA ARG B 203 17.658 -0.899 -3.870 1.00 0.00 C ATOM 1338 C ARG B 203 18.511 -1.472 -4.997 1.00 0.00 C ATOM 1339 O ARG B 203 19.739 -1.389 -4.962 1.00 0.00 O ATOM 1340 CB ARG B 203 17.628 0.629 -3.963 1.00 0.00 C ATOM 1341 CG ARG B 203 16.996 1.153 -5.242 1.00 0.00 C ATOM 1342 CD ARG B 203 17.201 2.654 -5.391 1.00 0.00 C ATOM 1343 NE ARG B 203 16.684 3.396 -4.244 1.00 0.00 N ATOM 1344 CZ ARG B 203 16.912 4.690 -4.039 1.00 0.00 C ATOM 1345 NH1 ARG B 203 17.644 5.382 -4.901 1.00 0.00 N ATOM 1346 NH2 ARG B 203 16.410 5.292 -2.971 1.00 0.00 N ATOM 0 H ARG B 203 18.517 -0.549 -1.989 1.00 0.00 H new ATOM 0 HA ARG B 203 16.644 -1.284 -3.976 1.00 0.00 H new ATOM 0 HB2 ARG B 203 17.079 1.025 -3.109 1.00 0.00 H new ATOM 0 HB3 ARG B 203 18.647 1.008 -3.890 1.00 0.00 H new ATOM 0 HG2 ARG B 203 17.429 0.639 -6.100 1.00 0.00 H new ATOM 0 HG3 ARG B 203 15.929 0.929 -5.240 1.00 0.00 H new ATOM 0 HD2 ARG B 203 18.264 2.864 -5.509 1.00 0.00 H new ATOM 0 HD3 ARG B 203 16.705 2.999 -6.298 1.00 0.00 H new ATOM 0 HE ARG B 203 16.116 2.893 -3.562 1.00 0.00 H new ATOM 0 HH11 ARG B 203 18.034 4.922 -5.724 1.00 0.00 H new ATOM 0 HH12 ARG B 203 17.817 6.374 -4.741 1.00 0.00 H new ATOM 0 HH21 ARG B 203 15.848 4.763 -2.304 1.00 0.00 H new ATOM 0 HH22 ARG B 203 16.586 6.285 -2.815 1.00 0.00 H new ATOM 1360 N SER B 204 17.851 -2.051 -5.994 1.00 0.00 N ATOM 1361 CA SER B 204 18.548 -2.639 -7.134 1.00 0.00 C ATOM 1362 C SER B 204 18.345 -1.795 -8.389 1.00 0.00 C ATOM 1363 O SER B 204 19.196 -0.920 -8.655 1.00 0.00 O ATOM 1364 CB SER B 204 18.054 -4.066 -7.378 1.00 0.00 C ATOM 1365 OG SER B 204 18.258 -4.879 -6.235 1.00 0.00 O ATOM 1366 OXT SER B 204 17.339 -2.016 -9.095 1.00 0.00 O ATOM 0 H SER B 204 16.835 -2.126 -6.037 1.00 0.00 H new ATOM 0 HA SER B 204 19.613 -2.665 -6.905 1.00 0.00 H new ATOM 0 HB2 SER B 204 16.994 -4.049 -7.631 1.00 0.00 H new ATOM 0 HB3 SER B 204 18.579 -4.495 -8.232 1.00 0.00 H new ATOM 0 HG SER B 204 17.932 -5.785 -6.416 1.00 0.00 H new TER 1372 SER B 204