USER MOD reduce.3.24.130724 H: found=0, std=0, add=1042, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1042 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 52 GLN :FLIP amide:sc= -1.53 F(o=-21!,f=-18) USER MOD Set 1.2: A 56 THR OG1 : rot 143:sc= -3.95! USER MOD Set 1.3: A 107 MET CE :methyl 163:sc= -13! (180deg=-8.45!) USER MOD Single : A 1 SER N :NH3+ -144:sc= 0.371 (180deg=0.00369) USER MOD Single : A 1 SER OG : rot 180:sc= 0.172 USER MOD Single : A 6 ASN : amide:sc= -0.102 K(o=-0.1,f=-0.95!) USER MOD Single : A 7 THR OG1 : rot -38:sc= 0.313 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.437 F(o=-2,f=-0.44) USER MOD Single : A 16 GLN : amide:sc= -0.0193 X(o=-0.019,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -133:sc= 1.99 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -111:sc= -0.144 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.39) USER MOD Single : A 31 HIS : no HD1:sc= -1.09 X(o=-1.1,f=-0.64) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 45 SER OG : rot 127:sc= 0.81 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 166:sc= 0.0143 (180deg=0.00303) USER MOD Single : A 58 HIS : no HE2:sc= -2.54! C(o=-2.5!,f=-4.3!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.63) USER MOD Single : A 62 THR OG1 : rot -160:sc= -0.0803 USER MOD Single : A 64 SER OG : rot -60:sc= -1.86! USER MOD Single : A 70 ASN :FLIP amide:sc= -1.9! C(o=-4.2!,f=-1.9!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= -0.215 USER MOD Single : A 84 HIS : no HD1:sc= -0.155 X(o=-0.15,f=-0.18) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -146:sc= -1.38 USER MOD Single : A 89 ASN :FLIP amide:sc= -0.898 F(o=-4.1!,f=-0.9) USER MOD Single : A 96 THR OG1 : rot -170:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 42:sc= 0.201 USER MOD Single : A 100 GLN : amide:sc=-0.00576 X(o=-0.0058,f=0.15) USER MOD Single : A 106 MET CE :methyl -164:sc= -0.0502 (180deg=-0.111) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.315 X(o=-0.32,f=-0.54) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 14.950 -23.918 -0.128 1.00 0.00 N ATOM 2 CA SER A 1 15.462 -22.736 0.613 1.00 0.00 C ATOM 3 C SER A 1 15.021 -21.436 -0.051 1.00 0.00 C ATOM 4 O SER A 1 14.525 -20.525 0.614 1.00 0.00 O ATOM 5 CB SER A 1 16.989 -22.813 0.658 1.00 0.00 C ATOM 6 OG SER A 1 17.499 -23.502 -0.471 1.00 0.00 O ATOM 0 H1 SER A 1 14.705 -24.671 0.546 1.00 0.00 H new ATOM 0 H2 SER A 1 14.103 -23.649 -0.669 1.00 0.00 H new ATOM 0 H3 SER A 1 15.683 -24.262 -0.781 1.00 0.00 H new ATOM 0 HA SER A 1 15.055 -22.744 1.624 1.00 0.00 H new ATOM 0 HB2 SER A 1 17.406 -21.807 0.693 1.00 0.00 H new ATOM 0 HB3 SER A 1 17.304 -23.320 1.570 1.00 0.00 H new ATOM 0 HG SER A 1 18.477 -23.536 -0.419 1.00 0.00 H new ATOM 14 N GLY A 2 15.203 -21.357 -1.365 1.00 0.00 N ATOM 15 CA GLY A 2 14.819 -20.164 -2.098 1.00 0.00 C ATOM 16 C GLY A 2 13.339 -20.137 -2.428 1.00 0.00 C ATOM 17 O GLY A 2 12.747 -19.067 -2.569 1.00 0.00 O ATOM 0 H GLY A 2 15.610 -22.098 -1.936 1.00 0.00 H new ATOM 0 HA2 GLY A 2 15.073 -19.282 -1.510 1.00 0.00 H new ATOM 0 HA3 GLY A 2 15.395 -20.108 -3.022 1.00 0.00 H new ATOM 21 N PHE A 3 12.741 -21.318 -2.550 1.00 0.00 N ATOM 22 CA PHE A 3 11.321 -21.427 -2.865 1.00 0.00 C ATOM 23 C PHE A 3 10.481 -21.461 -1.592 1.00 0.00 C ATOM 24 O PHE A 3 10.763 -22.230 -0.671 1.00 0.00 O ATOM 25 CB PHE A 3 11.056 -22.682 -3.699 1.00 0.00 C ATOM 26 CG PHE A 3 10.966 -22.416 -5.174 1.00 0.00 C ATOM 27 CD1 PHE A 3 9.783 -21.971 -5.741 1.00 0.00 C ATOM 28 CD2 PHE A 3 12.066 -22.611 -5.994 1.00 0.00 C ATOM 29 CE1 PHE A 3 9.698 -21.725 -7.098 1.00 0.00 C ATOM 30 CE2 PHE A 3 11.987 -22.367 -7.353 1.00 0.00 C ATOM 31 CZ PHE A 3 10.801 -21.924 -7.905 1.00 0.00 C ATOM 0 H PHE A 3 13.218 -22.213 -2.436 1.00 0.00 H new ATOM 0 HA PHE A 3 11.035 -20.548 -3.443 1.00 0.00 H new ATOM 0 HB2 PHE A 3 11.852 -23.404 -3.516 1.00 0.00 H new ATOM 0 HB3 PHE A 3 10.126 -23.141 -3.364 1.00 0.00 H new ATOM 0 HD1 PHE A 3 8.917 -21.815 -5.115 1.00 0.00 H new ATOM 0 HD2 PHE A 3 12.996 -22.957 -5.567 1.00 0.00 H new ATOM 0 HE1 PHE A 3 8.770 -21.377 -7.527 1.00 0.00 H new ATOM 0 HE2 PHE A 3 12.851 -22.523 -7.982 1.00 0.00 H new ATOM 0 HZ PHE A 3 10.736 -21.733 -8.966 1.00 0.00 H new ATOM 41 N VAL A 4 9.450 -20.624 -1.547 1.00 0.00 N ATOM 42 CA VAL A 4 8.568 -20.557 -0.388 1.00 0.00 C ATOM 43 C VAL A 4 7.204 -21.166 -0.699 1.00 0.00 C ATOM 44 O VAL A 4 7.060 -21.931 -1.654 1.00 0.00 O ATOM 45 CB VAL A 4 8.375 -19.104 0.088 1.00 0.00 C ATOM 46 CG1 VAL A 4 9.689 -18.532 0.601 1.00 0.00 C ATOM 47 CG2 VAL A 4 7.812 -18.243 -1.032 1.00 0.00 C ATOM 0 H VAL A 4 9.205 -19.982 -2.301 1.00 0.00 H new ATOM 0 HA VAL A 4 9.045 -21.130 0.407 1.00 0.00 H new ATOM 0 HB VAL A 4 7.658 -19.103 0.909 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.534 -17.505 0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.046 -19.134 1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.429 -18.547 -0.199 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.683 -17.221 -0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.501 -18.249 -1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.848 -18.641 -1.348 1.00 0.00 H new ATOM 57 N CYS A 5 6.207 -20.822 0.110 1.00 0.00 N ATOM 58 CA CYS A 5 4.854 -21.336 -0.080 1.00 0.00 C ATOM 59 C CYS A 5 4.240 -20.792 -1.366 1.00 0.00 C ATOM 60 O CYS A 5 4.921 -20.158 -2.173 1.00 0.00 O ATOM 61 CB CYS A 5 3.974 -20.968 1.115 1.00 0.00 C ATOM 62 SG CYS A 5 2.734 -22.232 1.543 1.00 0.00 S ATOM 0 H CYS A 5 6.310 -20.190 0.904 1.00 0.00 H new ATOM 0 HA CYS A 5 4.913 -22.422 -0.158 1.00 0.00 H new ATOM 0 HB2 CYS A 5 4.612 -20.792 1.981 1.00 0.00 H new ATOM 0 HB3 CYS A 5 3.462 -20.030 0.900 1.00 0.00 H new ATOM 67 N ASN A 6 2.947 -21.043 -1.550 1.00 0.00 N ATOM 68 CA ASN A 6 2.238 -20.578 -2.736 1.00 0.00 C ATOM 69 C ASN A 6 0.998 -19.778 -2.349 1.00 0.00 C ATOM 70 O ASN A 6 -0.111 -20.077 -2.791 1.00 0.00 O ATOM 71 CB ASN A 6 1.842 -21.765 -3.617 1.00 0.00 C ATOM 72 CG ASN A 6 1.237 -22.902 -2.817 1.00 0.00 C ATOM 73 OD1 ASN A 6 0.372 -22.689 -1.968 1.00 0.00 O ATOM 74 ND2 ASN A 6 1.693 -24.120 -3.084 1.00 0.00 N ATOM 0 H ASN A 6 2.369 -21.566 -0.892 1.00 0.00 H new ATOM 0 HA ASN A 6 2.907 -19.926 -3.298 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.127 -21.433 -4.369 1.00 0.00 H new ATOM 0 HB3 ASN A 6 2.721 -22.127 -4.151 1.00 0.00 H new ATOM 0 HD21 ASN A 6 1.325 -24.925 -2.577 1.00 0.00 H new ATOM 0 HD22 ASN A 6 2.411 -24.251 -3.796 1.00 0.00 H new ATOM 81 N THR A 7 1.195 -18.762 -1.515 1.00 0.00 N ATOM 82 CA THR A 7 0.096 -17.918 -1.063 1.00 0.00 C ATOM 83 C THR A 7 -0.103 -16.729 -1.997 1.00 0.00 C ATOM 84 O THR A 7 -0.894 -15.830 -1.710 1.00 0.00 O ATOM 85 CB THR A 7 0.362 -17.419 0.360 1.00 0.00 C ATOM 86 OG1 THR A 7 -0.821 -16.895 0.936 1.00 0.00 O ATOM 87 CG2 THR A 7 1.425 -16.343 0.430 1.00 0.00 C ATOM 0 H THR A 7 2.107 -18.503 -1.138 1.00 0.00 H new ATOM 0 HA THR A 7 -0.814 -18.519 -1.071 1.00 0.00 H new ATOM 0 HB THR A 7 0.717 -18.291 0.910 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.330 -16.410 0.253 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.563 -16.035 1.466 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.364 -16.734 0.039 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.113 -15.485 -0.165 1.00 0.00 H new ATOM 95 N CYS A 8 0.624 -16.723 -3.110 1.00 0.00 N ATOM 96 CA CYS A 8 0.524 -15.634 -4.074 1.00 0.00 C ATOM 97 C CYS A 8 0.032 -16.134 -5.431 1.00 0.00 C ATOM 98 O CYS A 8 0.825 -16.347 -6.350 1.00 0.00 O ATOM 99 CB CYS A 8 1.878 -14.936 -4.222 1.00 0.00 C ATOM 100 SG CYS A 8 2.802 -14.777 -2.658 1.00 0.00 S ATOM 0 H CYS A 8 1.285 -17.456 -3.365 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.207 -14.918 -3.699 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.486 -15.491 -4.937 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.720 -13.943 -4.642 1.00 0.00 H new ATOM 105 N PRO A 9 -1.293 -16.328 -5.574 1.00 0.00 N ATOM 106 CA PRO A 9 -1.894 -16.803 -6.816 1.00 0.00 C ATOM 107 C PRO A 9 -2.164 -15.676 -7.811 1.00 0.00 C ATOM 108 O PRO A 9 -1.591 -15.648 -8.901 1.00 0.00 O ATOM 109 CB PRO A 9 -3.201 -17.429 -6.341 1.00 0.00 C ATOM 110 CG PRO A 9 -3.584 -16.652 -5.124 1.00 0.00 C ATOM 111 CD PRO A 9 -2.308 -16.103 -4.527 1.00 0.00 C ATOM 0 HA PRO A 9 -1.240 -17.490 -7.354 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.972 -17.364 -7.109 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.071 -18.486 -6.109 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.267 -15.843 -5.383 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.102 -17.289 -4.407 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.404 -15.044 -4.286 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.047 -16.618 -3.602 1.00 0.00 H new ATOM 119 N GLU A 10 -3.044 -14.754 -7.434 1.00 0.00 N ATOM 120 CA GLU A 10 -3.396 -13.631 -8.296 1.00 0.00 C ATOM 121 C GLU A 10 -3.145 -12.296 -7.595 1.00 0.00 C ATOM 122 O GLU A 10 -2.095 -11.680 -7.776 1.00 0.00 O ATOM 123 CB GLU A 10 -4.862 -13.734 -8.723 1.00 0.00 C ATOM 124 CG GLU A 10 -5.328 -12.569 -9.578 1.00 0.00 C ATOM 125 CD GLU A 10 -5.775 -13.002 -10.961 1.00 0.00 C ATOM 126 OE1 GLU A 10 -6.621 -13.916 -11.052 1.00 0.00 O ATOM 127 OE2 GLU A 10 -5.278 -12.427 -11.952 1.00 0.00 O ATOM 0 H GLU A 10 -3.527 -14.762 -6.536 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.761 -13.673 -9.181 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.006 -14.661 -9.277 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.488 -13.794 -7.833 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.152 -12.062 -9.076 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.518 -11.845 -9.672 1.00 0.00 H new ATOM 134 N LYS A 11 -4.119 -11.857 -6.800 1.00 0.00 N ATOM 135 CA LYS A 11 -4.010 -10.594 -6.074 1.00 0.00 C ATOM 136 C LYS A 11 -2.691 -10.518 -5.311 1.00 0.00 C ATOM 137 O LYS A 11 -2.020 -9.488 -5.307 1.00 0.00 O ATOM 138 CB LYS A 11 -5.183 -10.435 -5.103 1.00 0.00 C ATOM 139 CG LYS A 11 -6.542 -10.629 -5.757 1.00 0.00 C ATOM 140 CD LYS A 11 -7.672 -10.441 -4.758 1.00 0.00 C ATOM 141 CE LYS A 11 -8.659 -9.385 -5.226 1.00 0.00 C ATOM 142 NZ LYS A 11 -10.048 -9.917 -5.303 1.00 0.00 N ATOM 0 H LYS A 11 -4.993 -12.358 -6.642 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.037 -9.783 -6.801 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.073 -11.155 -4.292 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.142 -9.442 -4.656 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.657 -9.920 -6.576 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.600 -11.628 -6.190 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.192 -11.388 -4.613 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.260 -10.152 -3.791 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.633 -8.536 -4.543 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.357 -9.015 -6.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.690 -9.165 -5.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.079 -10.711 -5.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.346 -10.247 -4.363 1.00 0.00 H new ATOM 156 N TRP A 12 -2.326 -11.622 -4.674 1.00 0.00 N ATOM 157 CA TRP A 12 -1.088 -11.698 -3.914 1.00 0.00 C ATOM 158 C TRP A 12 0.114 -11.700 -4.854 1.00 0.00 C ATOM 159 O TRP A 12 0.089 -12.341 -5.905 1.00 0.00 O ATOM 160 CB TRP A 12 -1.071 -12.958 -3.048 1.00 0.00 C ATOM 161 CG TRP A 12 -2.069 -12.940 -1.931 1.00 0.00 C ATOM 162 CD1 TRP A 12 -3.419 -12.772 -2.037 1.00 0.00 C ATOM 163 CD2 TRP A 12 -1.793 -13.102 -0.535 1.00 0.00 C ATOM 164 NE1 TRP A 12 -3.999 -12.819 -0.792 1.00 0.00 N ATOM 165 CE2 TRP A 12 -3.021 -13.020 0.147 1.00 0.00 C ATOM 166 CE3 TRP A 12 -0.624 -13.308 0.205 1.00 0.00 C ATOM 167 CZ2 TRP A 12 -3.114 -13.138 1.531 1.00 0.00 C ATOM 168 CZ3 TRP A 12 -0.718 -13.425 1.579 1.00 0.00 C ATOM 169 CH2 TRP A 12 -1.955 -13.340 2.230 1.00 0.00 C ATOM 0 H TRP A 12 -2.874 -12.482 -4.669 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.029 -10.823 -3.267 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.264 -13.824 -3.681 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -0.073 -13.085 -2.629 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.953 -12.624 -2.964 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -4.996 -12.720 -0.598 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.334 -13.374 -0.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -4.067 -13.072 2.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 0.178 -13.585 2.161 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.995 -13.436 3.305 1.00 0.00 H new ATOM 180 N ILE A 13 1.163 -10.978 -4.475 1.00 0.00 N ATOM 181 CA ILE A 13 2.370 -10.900 -5.290 1.00 0.00 C ATOM 182 C ILE A 13 3.625 -11.109 -4.445 1.00 0.00 C ATOM 183 O ILE A 13 3.833 -10.419 -3.451 1.00 0.00 O ATOM 184 CB ILE A 13 2.480 -9.539 -6.009 1.00 0.00 C ATOM 185 CG1 ILE A 13 1.145 -8.775 -5.945 1.00 0.00 C ATOM 186 CG2 ILE A 13 2.925 -9.742 -7.446 1.00 0.00 C ATOM 187 CD1 ILE A 13 0.235 -9.001 -7.141 1.00 0.00 C ATOM 0 H ILE A 13 1.202 -10.439 -3.610 1.00 0.00 H new ATOM 0 HA ILE A 13 2.295 -11.695 -6.032 1.00 0.00 H new ATOM 0 HB ILE A 13 3.230 -8.935 -5.498 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.615 -9.070 -5.039 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.354 -7.709 -5.859 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.999 -8.775 -7.944 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.898 -10.233 -7.460 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.198 -10.364 -7.968 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.682 -8.426 -7.014 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.742 -8.679 -8.050 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.009 -10.061 -7.218 1.00 0.00 H new ATOM 199 N ASN A 14 4.461 -12.063 -4.852 1.00 0.00 N ATOM 200 CA ASN A 14 5.695 -12.366 -4.130 1.00 0.00 C ATOM 201 C ASN A 14 6.920 -11.859 -4.884 1.00 0.00 C ATOM 202 O ASN A 14 6.904 -11.744 -6.110 1.00 0.00 O ATOM 203 CB ASN A 14 5.818 -13.870 -3.885 1.00 0.00 C ATOM 204 CG ASN A 14 7.158 -14.254 -3.289 1.00 0.00 C ATOM 205 OD1 ASN A 14 7.349 -13.943 -2.013 1.00 0.00 O flip ATOM 206 ND2 ASN A 14 8.011 -14.825 -3.968 1.00 0.00 N flip ATOM 0 H ASN A 14 4.306 -12.640 -5.679 1.00 0.00 H new ATOM 0 HA ASN A 14 5.649 -11.851 -3.170 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.021 -14.192 -3.215 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.677 -14.401 -4.827 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.821 -15.045 -4.946 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.908 -15.078 -3.553 1.00 0.00 H new ATOM 213 N PHE A 15 7.977 -11.550 -4.139 1.00 0.00 N ATOM 214 CA PHE A 15 9.212 -11.046 -4.729 1.00 0.00 C ATOM 215 C PHE A 15 10.424 -11.817 -4.206 1.00 0.00 C ATOM 216 O PHE A 15 10.444 -13.048 -4.240 1.00 0.00 O ATOM 217 CB PHE A 15 9.362 -9.553 -4.432 1.00 0.00 C ATOM 218 CG PHE A 15 8.074 -8.790 -4.528 1.00 0.00 C ATOM 219 CD1 PHE A 15 7.650 -8.264 -5.739 1.00 0.00 C ATOM 220 CD2 PHE A 15 7.285 -8.603 -3.407 1.00 0.00 C ATOM 221 CE1 PHE A 15 6.462 -7.564 -5.827 1.00 0.00 C ATOM 222 CE2 PHE A 15 6.097 -7.905 -3.488 1.00 0.00 C ATOM 223 CZ PHE A 15 5.684 -7.384 -4.699 1.00 0.00 C ATOM 0 H PHE A 15 8.003 -11.640 -3.123 1.00 0.00 H new ATOM 0 HA PHE A 15 9.161 -11.191 -5.808 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.774 -9.430 -3.430 1.00 0.00 H new ATOM 0 HB3 PHE A 15 10.082 -9.123 -5.128 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.255 -8.403 -6.623 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.602 -9.008 -2.457 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.142 -7.158 -6.775 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.491 -7.766 -2.605 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.755 -6.837 -4.764 1.00 0.00 H new ATOM 233 N GLN A 16 11.434 -11.089 -3.727 1.00 0.00 N ATOM 234 CA GLN A 16 12.646 -11.708 -3.201 1.00 0.00 C ATOM 235 C GLN A 16 12.308 -12.802 -2.193 1.00 0.00 C ATOM 236 O GLN A 16 12.881 -13.892 -2.234 1.00 0.00 O ATOM 237 CB GLN A 16 13.541 -10.654 -2.546 1.00 0.00 C ATOM 238 CG GLN A 16 12.787 -9.690 -1.645 1.00 0.00 C ATOM 239 CD GLN A 16 13.062 -8.238 -1.985 1.00 0.00 C ATOM 240 OE1 GLN A 16 14.164 -7.736 -1.765 1.00 0.00 O ATOM 241 NE2 GLN A 16 12.059 -7.556 -2.523 1.00 0.00 N ATOM 0 H GLN A 16 11.434 -10.070 -3.694 1.00 0.00 H new ATOM 0 HA GLN A 16 13.181 -12.162 -4.035 1.00 0.00 H new ATOM 0 HB2 GLN A 16 14.312 -11.156 -1.962 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.050 -10.087 -3.325 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.717 -9.882 -1.728 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.065 -9.875 -0.607 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.162 -8.013 -2.688 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.185 -6.575 -2.772 1.00 0.00 H new ATOM 250 N ARG A 17 11.376 -12.507 -1.292 1.00 0.00 N ATOM 251 CA ARG A 17 10.968 -13.474 -0.281 1.00 0.00 C ATOM 252 C ARG A 17 9.671 -13.053 0.402 1.00 0.00 C ATOM 253 O ARG A 17 9.148 -13.772 1.253 1.00 0.00 O ATOM 254 CB ARG A 17 12.072 -13.653 0.763 1.00 0.00 C ATOM 255 CG ARG A 17 12.648 -12.341 1.270 1.00 0.00 C ATOM 256 CD ARG A 17 12.929 -12.396 2.763 1.00 0.00 C ATOM 257 NE ARG A 17 13.444 -11.127 3.270 1.00 0.00 N ATOM 258 CZ ARG A 17 13.244 -10.692 4.511 1.00 0.00 C ATOM 259 NH1 ARG A 17 12.543 -11.423 5.368 1.00 0.00 N ATOM 260 NH2 ARG A 17 13.745 -9.526 4.896 1.00 0.00 N ATOM 0 H ARG A 17 10.892 -11.611 -1.242 1.00 0.00 H new ATOM 0 HA ARG A 17 10.793 -14.424 -0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.674 -14.216 1.607 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.875 -14.250 0.332 1.00 0.00 H new ATOM 0 HG2 ARG A 17 13.570 -12.115 0.733 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.950 -11.531 1.060 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.013 -12.654 3.295 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.650 -13.187 2.967 1.00 0.00 H new ATOM 0 HE ARG A 17 13.988 -10.541 2.637 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.156 -12.320 5.076 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.391 -11.088 6.319 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.285 -8.961 4.240 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.591 -9.194 5.848 1.00 0.00 H new ATOM 274 N LYS A 18 9.153 -11.891 0.023 1.00 0.00 N ATOM 275 CA LYS A 18 7.919 -11.390 0.597 1.00 0.00 C ATOM 276 C LYS A 18 6.818 -11.347 -0.440 1.00 0.00 C ATOM 277 O LYS A 18 7.067 -11.295 -1.640 1.00 0.00 O ATOM 278 CB LYS A 18 8.105 -9.994 1.178 1.00 0.00 C ATOM 279 CG LYS A 18 8.348 -8.931 0.124 1.00 0.00 C ATOM 280 CD LYS A 18 9.683 -8.242 0.337 1.00 0.00 C ATOM 281 CE LYS A 18 9.502 -6.839 0.895 1.00 0.00 C ATOM 282 NZ LYS A 18 10.617 -6.454 1.802 1.00 0.00 N ATOM 0 H LYS A 18 9.571 -11.281 -0.679 1.00 0.00 H new ATOM 0 HA LYS A 18 7.639 -12.075 1.397 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.219 -9.728 1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.946 -10.006 1.872 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.324 -9.385 -0.867 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.546 -8.194 0.156 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.293 -8.831 1.022 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.223 -8.192 -0.608 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.441 -6.126 0.072 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.558 -6.783 1.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.456 -5.491 2.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.660 -7.119 2.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.516 -6.483 1.279 1.00 0.00 H new ATOM 296 N CYS A 19 5.602 -11.351 0.050 1.00 0.00 N ATOM 297 CA CYS A 19 4.427 -11.299 -0.796 1.00 0.00 C ATOM 298 C CYS A 19 3.555 -10.120 -0.397 1.00 0.00 C ATOM 299 O CYS A 19 3.748 -9.522 0.661 1.00 0.00 O ATOM 300 CB CYS A 19 3.637 -12.609 -0.706 1.00 0.00 C ATOM 301 SG CYS A 19 2.453 -12.865 -2.067 1.00 0.00 S ATOM 0 H CYS A 19 5.395 -11.390 1.048 1.00 0.00 H new ATOM 0 HA CYS A 19 4.745 -11.168 -1.830 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.339 -13.443 -0.689 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.095 -12.629 0.240 1.00 0.00 H new ATOM 306 N TYR A 20 2.601 -9.787 -1.250 1.00 0.00 N ATOM 307 CA TYR A 20 1.701 -8.674 -0.995 1.00 0.00 C ATOM 308 C TYR A 20 0.260 -9.149 -1.041 1.00 0.00 C ATOM 309 O TYR A 20 -0.141 -9.846 -1.967 1.00 0.00 O ATOM 310 CB TYR A 20 1.886 -7.576 -2.050 1.00 0.00 C ATOM 311 CG TYR A 20 3.048 -6.633 -1.811 1.00 0.00 C ATOM 312 CD1 TYR A 20 4.073 -6.944 -0.926 1.00 0.00 C ATOM 313 CD2 TYR A 20 3.111 -5.420 -2.485 1.00 0.00 C ATOM 314 CE1 TYR A 20 5.126 -6.071 -0.719 1.00 0.00 C ATOM 315 CE2 TYR A 20 4.158 -4.542 -2.285 1.00 0.00 C ATOM 316 CZ TYR A 20 5.163 -4.873 -1.401 1.00 0.00 C ATOM 317 OH TYR A 20 6.209 -4.001 -1.197 1.00 0.00 O ATOM 0 H TYR A 20 2.429 -10.274 -2.130 1.00 0.00 H new ATOM 0 HA TYR A 20 1.933 -8.273 -0.008 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.019 -8.049 -3.023 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.969 -6.989 -2.103 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.047 -7.882 -0.391 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.326 -5.158 -3.179 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.915 -6.326 -0.027 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.189 -3.603 -2.817 1.00 0.00 H new ATOM 0 HH TYR A 20 6.084 -3.205 -1.754 1.00 0.00 H new ATOM 327 N TYR A 21 -0.517 -8.755 -0.049 1.00 0.00 N ATOM 328 CA TYR A 21 -1.915 -9.127 0.009 1.00 0.00 C ATOM 329 C TYR A 21 -2.746 -7.981 -0.542 1.00 0.00 C ATOM 330 O TYR A 21 -2.844 -6.914 0.063 1.00 0.00 O ATOM 331 CB TYR A 21 -2.306 -9.447 1.455 1.00 0.00 C ATOM 332 CG TYR A 21 -3.794 -9.556 1.698 1.00 0.00 C ATOM 333 CD1 TYR A 21 -4.643 -10.110 0.749 1.00 0.00 C ATOM 334 CD2 TYR A 21 -4.346 -9.109 2.890 1.00 0.00 C ATOM 335 CE1 TYR A 21 -6.001 -10.212 0.979 1.00 0.00 C ATOM 336 CE2 TYR A 21 -5.700 -9.209 3.132 1.00 0.00 C ATOM 337 CZ TYR A 21 -6.525 -9.761 2.173 1.00 0.00 C ATOM 338 OH TYR A 21 -7.877 -9.864 2.409 1.00 0.00 O ATOM 0 H TYR A 21 -0.201 -8.176 0.729 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.096 -10.018 -0.592 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.835 -10.386 1.745 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.901 -8.672 2.106 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.234 -10.467 -0.185 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.704 -8.675 3.642 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.649 -10.642 0.229 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.112 -8.858 4.066 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.213 -9.014 2.764 1.00 0.00 H new ATOM 348 N PHE A 22 -3.314 -8.204 -1.718 1.00 0.00 N ATOM 349 CA PHE A 22 -4.107 -7.197 -2.396 1.00 0.00 C ATOM 350 C PHE A 22 -5.599 -7.419 -2.163 1.00 0.00 C ATOM 351 O PHE A 22 -6.133 -8.486 -2.465 1.00 0.00 O ATOM 352 CB PHE A 22 -3.772 -7.238 -3.892 1.00 0.00 C ATOM 353 CG PHE A 22 -2.428 -6.638 -4.241 1.00 0.00 C ATOM 354 CD1 PHE A 22 -1.565 -6.196 -3.247 1.00 0.00 C ATOM 355 CD2 PHE A 22 -2.028 -6.516 -5.564 1.00 0.00 C ATOM 356 CE1 PHE A 22 -0.338 -5.646 -3.565 1.00 0.00 C ATOM 357 CE2 PHE A 22 -0.797 -5.968 -5.888 1.00 0.00 C ATOM 358 CZ PHE A 22 0.050 -5.531 -4.884 1.00 0.00 C ATOM 0 H PHE A 22 -3.237 -9.086 -2.225 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.866 -6.213 -1.993 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -3.794 -8.274 -4.230 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.549 -6.707 -4.442 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.857 -6.283 -2.211 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.685 -6.853 -6.352 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.319 -5.305 -2.779 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.499 -5.882 -6.922 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.010 -5.102 -5.132 1.00 0.00 H new ATOM 368 N GLY A 23 -6.264 -6.405 -1.612 1.00 0.00 N ATOM 369 CA GLY A 23 -7.684 -6.509 -1.335 1.00 0.00 C ATOM 370 C GLY A 23 -8.481 -5.340 -1.873 1.00 0.00 C ATOM 371 O GLY A 23 -7.915 -4.367 -2.371 1.00 0.00 O ATOM 0 H GLY A 23 -5.842 -5.513 -1.353 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.066 -7.433 -1.770 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.834 -6.578 -0.258 1.00 0.00 H new ATOM 375 N LYS A 24 -9.803 -5.439 -1.767 1.00 0.00 N ATOM 376 CA LYS A 24 -10.694 -4.389 -2.240 1.00 0.00 C ATOM 377 C LYS A 24 -11.841 -4.167 -1.259 1.00 0.00 C ATOM 378 O LYS A 24 -12.234 -5.077 -0.529 1.00 0.00 O ATOM 379 CB LYS A 24 -11.244 -4.741 -3.624 1.00 0.00 C ATOM 380 CG LYS A 24 -12.315 -3.784 -4.123 1.00 0.00 C ATOM 381 CD LYS A 24 -13.213 -4.443 -5.158 1.00 0.00 C ATOM 382 CE LYS A 24 -14.385 -3.549 -5.530 1.00 0.00 C ATOM 383 NZ LYS A 24 -15.615 -4.336 -5.816 1.00 0.00 N ATOM 0 H LYS A 24 -10.281 -6.241 -1.355 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.121 -3.465 -2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.421 -4.754 -4.339 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.657 -5.749 -3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.918 -3.441 -3.282 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.843 -2.903 -4.558 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.632 -4.673 -6.051 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.586 -5.390 -4.767 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.582 -2.851 -4.716 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.124 -2.953 -6.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.391 -3.690 -6.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.436 -4.984 -6.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.880 -4.885 -4.973 1.00 0.00 H new ATOM 397 N GLY A 25 -12.374 -2.951 -1.254 1.00 0.00 N ATOM 398 CA GLY A 25 -13.475 -2.623 -0.365 1.00 0.00 C ATOM 399 C GLY A 25 -13.013 -2.297 1.043 1.00 0.00 C ATOM 400 O GLY A 25 -12.782 -3.197 1.851 1.00 0.00 O ATOM 0 H GLY A 25 -12.063 -2.184 -1.851 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.022 -1.772 -0.770 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.171 -3.462 -0.330 1.00 0.00 H new ATOM 404 N THR A 26 -12.882 -1.006 1.337 1.00 0.00 N ATOM 405 CA THR A 26 -12.449 -0.560 2.657 1.00 0.00 C ATOM 406 C THR A 26 -12.923 0.865 2.931 1.00 0.00 C ATOM 407 O THR A 26 -13.885 1.334 2.322 1.00 0.00 O ATOM 408 CB THR A 26 -10.926 -0.640 2.775 1.00 0.00 C ATOM 409 OG1 THR A 26 -10.368 -1.290 1.646 1.00 0.00 O ATOM 410 CG2 THR A 26 -10.457 -1.381 4.008 1.00 0.00 C ATOM 0 H THR A 26 -13.070 -0.250 0.678 1.00 0.00 H new ATOM 0 HA THR A 26 -12.895 -1.220 3.401 1.00 0.00 H new ATOM 0 HB THR A 26 -10.589 0.394 2.843 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.010 -2.162 1.914 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.367 -1.400 4.029 1.00 0.00 H new ATOM 0 HG22 THR A 26 -10.828 -0.875 4.899 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.837 -2.402 3.985 1.00 0.00 H new ATOM 418 N LYS A 27 -12.247 1.550 3.851 1.00 0.00 N ATOM 419 CA LYS A 27 -12.611 2.921 4.200 1.00 0.00 C ATOM 420 C LYS A 27 -11.506 3.904 3.814 1.00 0.00 C ATOM 421 O LYS A 27 -11.487 4.418 2.695 1.00 0.00 O ATOM 422 CB LYS A 27 -12.907 3.026 5.698 1.00 0.00 C ATOM 423 CG LYS A 27 -14.334 3.444 6.008 1.00 0.00 C ATOM 424 CD LYS A 27 -14.374 4.608 6.985 1.00 0.00 C ATOM 425 CE LYS A 27 -15.773 5.189 7.103 1.00 0.00 C ATOM 426 NZ LYS A 27 -15.776 6.489 7.829 1.00 0.00 N ATOM 0 H LYS A 27 -11.448 1.180 4.366 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.508 3.182 3.639 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.709 2.062 6.167 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.221 3.745 6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.841 3.725 5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -14.879 2.598 6.426 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.034 4.273 7.965 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.683 5.384 6.656 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -16.193 5.329 6.107 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -16.417 4.481 7.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.749 6.852 7.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -15.399 6.352 8.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.182 7.173 7.318 1.00 0.00 H new ATOM 440 N GLN A 28 -10.592 4.167 4.746 1.00 0.00 N ATOM 441 CA GLN A 28 -9.492 5.094 4.498 1.00 0.00 C ATOM 442 C GLN A 28 -8.142 4.423 4.732 1.00 0.00 C ATOM 443 O GLN A 28 -8.067 3.208 4.921 1.00 0.00 O ATOM 444 CB GLN A 28 -9.626 6.325 5.397 1.00 0.00 C ATOM 445 CG GLN A 28 -10.900 7.118 5.156 1.00 0.00 C ATOM 446 CD GLN A 28 -10.630 8.581 4.860 1.00 0.00 C ATOM 447 OE1 GLN A 28 -9.686 8.917 4.145 1.00 0.00 O ATOM 448 NE2 GLN A 28 -11.459 9.459 5.412 1.00 0.00 N ATOM 0 H GLN A 28 -10.592 3.752 5.678 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.542 5.404 3.454 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.597 6.008 6.440 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.767 6.976 5.238 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.445 6.677 4.322 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.543 7.041 6.033 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.229 9.135 5.998 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.326 10.457 5.250 1.00 0.00 H new ATOM 457 N TRP A 29 -7.078 5.222 4.718 1.00 0.00 N ATOM 458 CA TRP A 29 -5.729 4.707 4.927 1.00 0.00 C ATOM 459 C TRP A 29 -5.606 4.045 6.293 1.00 0.00 C ATOM 460 O TRP A 29 -5.105 2.927 6.410 1.00 0.00 O ATOM 461 CB TRP A 29 -4.700 5.832 4.798 1.00 0.00 C ATOM 462 CG TRP A 29 -3.302 5.400 5.127 1.00 0.00 C ATOM 463 CD1 TRP A 29 -2.388 4.862 4.267 1.00 0.00 C ATOM 464 CD2 TRP A 29 -2.662 5.464 6.406 1.00 0.00 C ATOM 465 NE1 TRP A 29 -1.219 4.587 4.936 1.00 0.00 N ATOM 466 CE2 TRP A 29 -1.363 4.948 6.249 1.00 0.00 C ATOM 467 CE3 TRP A 29 -3.062 5.908 7.670 1.00 0.00 C ATOM 468 CZ2 TRP A 29 -0.461 4.864 7.305 1.00 0.00 C ATOM 469 CZ3 TRP A 29 -2.166 5.823 8.720 1.00 0.00 C ATOM 470 CH2 TRP A 29 -0.878 5.305 8.532 1.00 0.00 C ATOM 0 H TRP A 29 -7.125 6.229 4.564 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.533 3.958 4.160 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.722 6.220 3.780 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.984 6.652 5.458 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.558 4.679 3.216 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.380 4.180 4.522 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.053 6.310 7.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.532 4.465 7.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.464 6.162 9.701 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.201 5.253 9.372 1.00 0.00 H new ATOM 481 N VAL A 30 -6.065 4.745 7.322 1.00 0.00 N ATOM 482 CA VAL A 30 -6.011 4.228 8.683 1.00 0.00 C ATOM 483 C VAL A 30 -6.695 2.872 8.773 1.00 0.00 C ATOM 484 O VAL A 30 -6.312 2.022 9.575 1.00 0.00 O ATOM 485 CB VAL A 30 -6.670 5.196 9.683 1.00 0.00 C ATOM 486 CG1 VAL A 30 -5.777 6.402 9.925 1.00 0.00 C ATOM 487 CG2 VAL A 30 -8.040 5.630 9.183 1.00 0.00 C ATOM 0 H VAL A 30 -6.479 5.673 7.240 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.958 4.122 8.943 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.803 4.675 10.631 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.259 7.075 10.634 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.821 6.071 10.331 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.610 6.926 8.984 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.490 6.314 9.903 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.934 6.133 8.222 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.679 4.755 9.066 1.00 0.00 H new ATOM 497 N HIS A 31 -7.710 2.675 7.941 1.00 0.00 N ATOM 498 CA HIS A 31 -8.442 1.419 7.925 1.00 0.00 C ATOM 499 C HIS A 31 -7.598 0.316 7.300 1.00 0.00 C ATOM 500 O HIS A 31 -7.707 -0.850 7.681 1.00 0.00 O ATOM 501 CB HIS A 31 -9.757 1.574 7.160 1.00 0.00 C ATOM 502 CG HIS A 31 -10.969 1.310 8.000 1.00 0.00 C ATOM 503 ND1 HIS A 31 -11.332 2.103 9.068 1.00 0.00 N ATOM 504 CD2 HIS A 31 -11.905 0.333 7.924 1.00 0.00 C ATOM 505 CE1 HIS A 31 -12.437 1.625 9.613 1.00 0.00 C ATOM 506 NE2 HIS A 31 -12.805 0.552 8.937 1.00 0.00 N ATOM 0 H HIS A 31 -8.043 3.368 7.271 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.668 1.143 8.955 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.817 2.585 6.756 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.757 0.891 6.310 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.937 -0.469 7.201 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -12.952 2.041 10.466 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.625 -0.021 9.135 1.00 0.00 H new ATOM 515 N ALA A 32 -6.754 0.688 6.340 1.00 0.00 N ATOM 516 CA ALA A 32 -5.896 -0.281 5.675 1.00 0.00 C ATOM 517 C ALA A 32 -4.802 -0.767 6.615 1.00 0.00 C ATOM 518 O ALA A 32 -4.586 -1.967 6.759 1.00 0.00 O ATOM 519 CB ALA A 32 -5.285 0.325 4.421 1.00 0.00 C ATOM 0 H ALA A 32 -6.648 1.647 6.009 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.506 -1.137 5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.646 -0.412 3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.079 0.624 3.737 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.691 1.198 4.691 1.00 0.00 H new ATOM 525 N ARG A 33 -4.124 0.173 7.264 1.00 0.00 N ATOM 526 CA ARG A 33 -3.062 -0.167 8.198 1.00 0.00 C ATOM 527 C ARG A 33 -3.595 -1.020 9.342 1.00 0.00 C ATOM 528 O ARG A 33 -2.924 -1.942 9.807 1.00 0.00 O ATOM 529 CB ARG A 33 -2.401 1.098 8.751 1.00 0.00 C ATOM 530 CG ARG A 33 -3.388 2.121 9.285 1.00 0.00 C ATOM 531 CD ARG A 33 -3.352 2.189 10.803 1.00 0.00 C ATOM 532 NE ARG A 33 -2.027 2.542 11.304 1.00 0.00 N ATOM 533 CZ ARG A 33 -1.815 3.449 12.252 1.00 0.00 C ATOM 534 NH1 ARG A 33 -2.837 4.092 12.801 1.00 0.00 N ATOM 535 NH2 ARG A 33 -0.579 3.714 12.653 1.00 0.00 N ATOM 0 H ARG A 33 -4.292 1.174 7.160 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.314 -0.744 7.655 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.714 0.818 9.550 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.804 1.559 7.964 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.157 3.102 8.870 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.395 1.864 8.955 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.078 2.924 11.150 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.651 1.226 11.216 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.219 2.066 10.904 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.789 3.891 12.496 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.671 4.787 13.528 1.00 0.00 H new ATOM 0 HH21 ARG A 33 0.210 3.222 12.234 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -0.417 4.410 13.381 1.00 0.00 H new ATOM 549 N TYR A 34 -4.806 -0.708 9.792 1.00 0.00 N ATOM 550 CA TYR A 34 -5.429 -1.447 10.882 1.00 0.00 C ATOM 551 C TYR A 34 -5.870 -2.832 10.423 1.00 0.00 C ATOM 552 O TYR A 34 -5.818 -3.796 11.187 1.00 0.00 O ATOM 553 CB TYR A 34 -6.627 -0.673 11.433 1.00 0.00 C ATOM 554 CG TYR A 34 -6.514 -0.350 12.906 1.00 0.00 C ATOM 555 CD1 TYR A 34 -6.792 -1.311 13.871 1.00 0.00 C ATOM 556 CD2 TYR A 34 -6.130 0.915 13.332 1.00 0.00 C ATOM 557 CE1 TYR A 34 -6.689 -1.019 15.218 1.00 0.00 C ATOM 558 CE2 TYR A 34 -6.024 1.215 14.677 1.00 0.00 C ATOM 559 CZ TYR A 34 -6.305 0.244 15.615 1.00 0.00 C ATOM 560 OH TYR A 34 -6.202 0.538 16.956 1.00 0.00 O ATOM 0 H TYR A 34 -5.375 0.052 9.418 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.688 -1.567 11.673 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.737 0.256 10.873 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.533 -1.255 11.266 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.093 -2.301 13.563 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.910 1.678 12.599 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.908 -1.777 15.956 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.723 2.203 14.991 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.920 1.470 17.066 1.00 0.00 H new ATOM 570 N ALA A 35 -6.311 -2.924 9.172 1.00 0.00 N ATOM 571 CA ALA A 35 -6.768 -4.190 8.615 1.00 0.00 C ATOM 572 C ALA A 35 -5.614 -5.165 8.428 1.00 0.00 C ATOM 573 O ALA A 35 -5.750 -6.360 8.693 1.00 0.00 O ATOM 574 CB ALA A 35 -7.486 -3.958 7.295 1.00 0.00 C ATOM 0 H ALA A 35 -6.361 -2.136 8.526 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.467 -4.634 9.324 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -7.822 -4.913 6.891 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.347 -3.310 7.458 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.804 -3.484 6.588 1.00 0.00 H new ATOM 580 N CYS A 36 -4.477 -4.650 7.978 1.00 0.00 N ATOM 581 CA CYS A 36 -3.302 -5.480 7.765 1.00 0.00 C ATOM 582 C CYS A 36 -2.643 -5.819 9.096 1.00 0.00 C ATOM 583 O CYS A 36 -1.986 -6.851 9.234 1.00 0.00 O ATOM 584 CB CYS A 36 -2.302 -4.770 6.848 1.00 0.00 C ATOM 585 SG CYS A 36 -3.070 -3.882 5.454 1.00 0.00 S ATOM 0 H CYS A 36 -4.345 -3.664 7.754 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.619 -6.406 7.285 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.722 -4.062 7.440 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.601 -5.506 6.454 1.00 0.00 H new ATOM 590 N ASP A 37 -2.830 -4.939 10.075 1.00 0.00 N ATOM 591 CA ASP A 37 -2.263 -5.137 11.403 1.00 0.00 C ATOM 592 C ASP A 37 -3.036 -6.201 12.174 1.00 0.00 C ATOM 593 O ASP A 37 -2.516 -6.803 13.113 1.00 0.00 O ATOM 594 CB ASP A 37 -2.264 -3.822 12.183 1.00 0.00 C ATOM 595 CG ASP A 37 -0.901 -3.488 12.757 1.00 0.00 C ATOM 596 OD1 ASP A 37 0.011 -3.162 11.969 1.00 0.00 O ATOM 597 OD2 ASP A 37 -0.745 -3.554 13.995 1.00 0.00 O ATOM 0 H ASP A 37 -3.371 -4.080 9.972 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.235 -5.479 11.283 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.586 -3.014 11.526 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.991 -3.884 12.993 1.00 0.00 H new ATOM 602 N ASP A 38 -4.286 -6.417 11.777 1.00 0.00 N ATOM 603 CA ASP A 38 -5.142 -7.398 12.435 1.00 0.00 C ATOM 604 C ASP A 38 -4.525 -8.792 12.395 1.00 0.00 C ATOM 605 O ASP A 38 -4.604 -9.540 13.369 1.00 0.00 O ATOM 606 CB ASP A 38 -6.523 -7.422 11.775 1.00 0.00 C ATOM 607 CG ASP A 38 -7.637 -7.657 12.776 1.00 0.00 C ATOM 608 OD1 ASP A 38 -7.756 -6.859 13.730 1.00 0.00 O ATOM 609 OD2 ASP A 38 -8.391 -8.639 12.606 1.00 0.00 O ATOM 0 H ASP A 38 -4.729 -5.925 11.001 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.245 -7.102 13.479 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.694 -6.476 11.261 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.547 -8.205 11.018 1.00 0.00 H new ATOM 614 N MET A 39 -3.913 -9.135 11.265 1.00 0.00 N ATOM 615 CA MET A 39 -3.283 -10.444 11.103 1.00 0.00 C ATOM 616 C MET A 39 -2.638 -10.591 9.727 1.00 0.00 C ATOM 617 O MET A 39 -1.694 -11.363 9.559 1.00 0.00 O ATOM 618 CB MET A 39 -4.313 -11.559 11.306 1.00 0.00 C ATOM 619 CG MET A 39 -5.546 -11.416 10.428 1.00 0.00 C ATOM 620 SD MET A 39 -6.871 -12.543 10.901 1.00 0.00 S ATOM 621 CE MET A 39 -8.123 -12.121 9.692 1.00 0.00 C ATOM 0 H MET A 39 -3.839 -8.527 10.449 1.00 0.00 H new ATOM 0 HA MET A 39 -2.501 -10.526 11.858 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.841 -12.520 11.101 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.621 -11.572 12.351 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.910 -10.390 10.484 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.271 -11.600 9.390 1.00 0.00 H new ATOM 0 HE1 MET A 39 -9.008 -12.736 9.855 1.00 0.00 H new ATOM 0 HE2 MET A 39 -8.388 -11.069 9.795 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.736 -12.301 8.689 1.00 0.00 H new ATOM 631 N GLU A 40 -3.160 -9.856 8.745 1.00 0.00 N ATOM 632 CA GLU A 40 -2.643 -9.912 7.379 1.00 0.00 C ATOM 633 C GLU A 40 -1.116 -9.830 7.356 1.00 0.00 C ATOM 634 O GLU A 40 -0.435 -10.854 7.389 1.00 0.00 O ATOM 635 CB GLU A 40 -3.248 -8.786 6.537 1.00 0.00 C ATOM 636 CG GLU A 40 -4.769 -8.814 6.484 1.00 0.00 C ATOM 637 CD GLU A 40 -5.327 -10.218 6.340 1.00 0.00 C ATOM 638 OE1 GLU A 40 -4.815 -10.977 5.490 1.00 0.00 O ATOM 639 OE2 GLU A 40 -6.275 -10.558 7.078 1.00 0.00 O ATOM 0 H GLU A 40 -3.942 -9.214 8.871 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.932 -10.872 6.951 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.925 -7.827 6.942 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.856 -8.852 5.522 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.168 -8.361 7.391 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.110 -8.205 5.647 1.00 0.00 H new ATOM 646 N GLY A 41 -0.582 -8.613 7.292 1.00 0.00 N ATOM 647 CA GLY A 41 0.863 -8.448 7.262 1.00 0.00 C ATOM 648 C GLY A 41 1.328 -7.105 7.791 1.00 0.00 C ATOM 649 O GLY A 41 1.502 -6.925 8.997 1.00 0.00 O ATOM 0 H GLY A 41 -1.117 -7.745 7.261 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.324 -9.241 7.851 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.213 -8.567 6.237 1.00 0.00 H new ATOM 653 N GLN A 42 1.555 -6.175 6.876 1.00 0.00 N ATOM 654 CA GLN A 42 2.034 -4.843 7.206 1.00 0.00 C ATOM 655 C GLN A 42 1.585 -3.897 6.121 1.00 0.00 C ATOM 656 O GLN A 42 1.236 -4.341 5.034 1.00 0.00 O ATOM 657 CB GLN A 42 3.562 -4.832 7.291 1.00 0.00 C ATOM 658 CG GLN A 42 4.161 -3.435 7.327 1.00 0.00 C ATOM 659 CD GLN A 42 5.675 -3.446 7.263 1.00 0.00 C ATOM 660 OE1 GLN A 42 6.338 -4.120 8.053 1.00 0.00 O ATOM 661 NE2 GLN A 42 6.232 -2.697 6.319 1.00 0.00 N ATOM 0 H GLN A 42 1.411 -6.325 5.877 1.00 0.00 H new ATOM 0 HA GLN A 42 1.632 -4.537 8.172 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.871 -5.374 8.185 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.969 -5.370 6.435 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.770 -2.855 6.491 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.844 -2.931 8.240 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.645 -2.154 5.686 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.247 -2.664 6.227 1.00 0.00 H new ATOM 670 N LEU A 43 1.591 -2.603 6.369 1.00 0.00 N ATOM 671 CA LEU A 43 1.180 -1.721 5.316 1.00 0.00 C ATOM 672 C LEU A 43 2.318 -1.686 4.307 1.00 0.00 C ATOM 673 O LEU A 43 3.424 -1.229 4.594 1.00 0.00 O ATOM 674 CB LEU A 43 0.880 -0.325 5.867 1.00 0.00 C ATOM 675 CG LEU A 43 -0.301 0.402 5.218 1.00 0.00 C ATOM 676 CD1 LEU A 43 -1.556 -0.450 5.268 1.00 0.00 C ATOM 677 CD2 LEU A 43 -0.539 1.736 5.904 1.00 0.00 C ATOM 0 H LEU A 43 1.863 -2.162 7.248 1.00 0.00 H new ATOM 0 HA LEU A 43 0.262 -2.071 4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.688 -0.410 6.937 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.771 0.291 5.751 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.056 0.584 4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.380 0.089 4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.383 -1.384 4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.807 -0.668 6.306 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.381 2.242 5.433 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.760 1.569 6.958 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.353 2.356 5.814 1.00 0.00 H new ATOM 689 N VAL A 44 2.009 -2.239 3.144 1.00 0.00 N ATOM 690 CA VAL A 44 2.938 -2.385 2.029 1.00 0.00 C ATOM 691 C VAL A 44 4.111 -1.420 2.063 1.00 0.00 C ATOM 692 O VAL A 44 5.250 -1.825 2.300 1.00 0.00 O ATOM 693 CB VAL A 44 2.194 -2.241 0.696 1.00 0.00 C ATOM 694 CG1 VAL A 44 1.941 -3.608 0.095 1.00 0.00 C ATOM 695 CG2 VAL A 44 0.886 -1.493 0.901 1.00 0.00 C ATOM 0 H VAL A 44 1.080 -2.609 2.942 1.00 0.00 H new ATOM 0 HA VAL A 44 3.360 -3.385 2.129 1.00 0.00 H new ATOM 0 HB VAL A 44 2.811 -1.667 0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.412 -3.497 -0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.892 -4.111 -0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.336 -4.201 0.781 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.368 -1.398 -0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.258 -2.043 1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.093 -0.501 1.302 1.00 0.00 H new ATOM 705 N SER A 45 3.834 -0.158 1.795 1.00 0.00 N ATOM 706 CA SER A 45 4.875 0.865 1.762 1.00 0.00 C ATOM 707 C SER A 45 5.809 0.604 0.587 1.00 0.00 C ATOM 708 O SER A 45 7.032 0.601 0.729 1.00 0.00 O ATOM 709 CB SER A 45 5.664 0.876 3.071 1.00 0.00 C ATOM 710 OG SER A 45 6.680 1.862 3.045 1.00 0.00 O ATOM 0 H SER A 45 2.896 0.189 1.596 1.00 0.00 H new ATOM 0 HA SER A 45 4.405 1.841 1.640 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.989 1.067 3.905 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.109 -0.105 3.239 1.00 0.00 H new ATOM 0 HG SER A 45 6.601 2.434 3.837 1.00 0.00 H new ATOM 716 N ILE A 46 5.201 0.366 -0.570 1.00 0.00 N ATOM 717 CA ILE A 46 5.930 0.078 -1.804 1.00 0.00 C ATOM 718 C ILE A 46 7.174 0.949 -1.951 1.00 0.00 C ATOM 719 O ILE A 46 7.160 2.135 -1.622 1.00 0.00 O ATOM 720 CB ILE A 46 5.030 0.273 -3.044 1.00 0.00 C ATOM 721 CG1 ILE A 46 3.668 0.838 -2.642 1.00 0.00 C ATOM 722 CG2 ILE A 46 4.851 -1.041 -3.785 1.00 0.00 C ATOM 723 CD1 ILE A 46 2.768 1.132 -3.819 1.00 0.00 C ATOM 0 H ILE A 46 4.187 0.367 -0.681 1.00 0.00 H new ATOM 0 HA ILE A 46 6.240 -0.965 -1.740 1.00 0.00 H new ATOM 0 HB ILE A 46 5.519 0.986 -3.707 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.169 0.129 -1.982 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.818 1.754 -2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.214 -0.884 -4.656 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.824 -1.411 -4.109 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.387 -1.772 -3.123 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.819 1.530 -3.461 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.247 1.865 -4.469 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.588 0.214 -4.378 1.00 0.00 H new ATOM 735 N HIS A 47 8.250 0.345 -2.448 1.00 0.00 N ATOM 736 CA HIS A 47 9.512 1.052 -2.644 1.00 0.00 C ATOM 737 C HIS A 47 10.096 0.756 -4.023 1.00 0.00 C ATOM 738 O HIS A 47 11.136 1.298 -4.394 1.00 0.00 O ATOM 739 CB HIS A 47 10.514 0.653 -1.560 1.00 0.00 C ATOM 740 CG HIS A 47 10.703 -0.828 -1.435 1.00 0.00 C ATOM 741 ND1 HIS A 47 11.663 -1.526 -2.139 1.00 0.00 N ATOM 742 CD2 HIS A 47 10.051 -1.744 -0.682 1.00 0.00 C ATOM 743 CE1 HIS A 47 11.590 -2.808 -1.824 1.00 0.00 C ATOM 744 NE2 HIS A 47 10.622 -2.966 -0.942 1.00 0.00 N ATOM 0 H HIS A 47 8.273 -0.637 -2.723 1.00 0.00 H new ATOM 0 HA HIS A 47 9.315 2.122 -2.575 1.00 0.00 H new ATOM 0 HB2 HIS A 47 11.476 1.117 -1.778 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.178 1.050 -0.602 1.00 0.00 H new ATOM 0 HD2 HIS A 47 9.234 -1.550 -0.003 1.00 0.00 H new ATOM 0 HE1 HIS A 47 12.217 -3.593 -2.221 1.00 0.00 H new ATOM 0 HE2 HIS A 47 10.343 -3.852 -0.521 1.00 0.00 H new ATOM 753 N SER A 48 9.419 -0.105 -4.779 1.00 0.00 N ATOM 754 CA SER A 48 9.870 -0.466 -6.113 1.00 0.00 C ATOM 755 C SER A 48 8.829 -0.067 -7.148 1.00 0.00 C ATOM 756 O SER A 48 7.674 -0.478 -7.059 1.00 0.00 O ATOM 757 CB SER A 48 10.143 -1.969 -6.196 1.00 0.00 C ATOM 758 OG SER A 48 11.425 -2.283 -5.682 1.00 0.00 O ATOM 0 H SER A 48 8.556 -0.564 -4.487 1.00 0.00 H new ATOM 0 HA SER A 48 10.796 0.070 -6.321 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.381 -2.512 -5.637 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.073 -2.298 -7.233 1.00 0.00 H new ATOM 0 HG SER A 48 11.575 -3.249 -5.745 1.00 0.00 H new ATOM 764 N PRO A 49 9.223 0.741 -8.147 1.00 0.00 N ATOM 765 CA PRO A 49 8.309 1.187 -9.198 1.00 0.00 C ATOM 766 C PRO A 49 7.480 0.036 -9.751 1.00 0.00 C ATOM 767 O PRO A 49 6.354 0.231 -10.206 1.00 0.00 O ATOM 768 CB PRO A 49 9.253 1.744 -10.263 1.00 0.00 C ATOM 769 CG PRO A 49 10.433 2.227 -9.492 1.00 0.00 C ATOM 770 CD PRO A 49 10.585 1.279 -8.333 1.00 0.00 C ATOM 0 HA PRO A 49 7.580 1.914 -8.841 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.536 0.977 -10.984 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.786 2.553 -10.824 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.329 2.232 -10.112 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.280 3.248 -9.144 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.302 0.488 -8.553 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.940 1.792 -7.439 1.00 0.00 H new ATOM 778 N GLU A 50 8.042 -1.168 -9.693 1.00 0.00 N ATOM 779 CA GLU A 50 7.350 -2.356 -10.172 1.00 0.00 C ATOM 780 C GLU A 50 6.243 -2.760 -9.213 1.00 0.00 C ATOM 781 O GLU A 50 5.123 -3.048 -9.630 1.00 0.00 O ATOM 782 CB GLU A 50 8.325 -3.517 -10.340 1.00 0.00 C ATOM 783 CG GLU A 50 7.645 -4.821 -10.711 1.00 0.00 C ATOM 784 CD GLU A 50 8.500 -6.035 -10.404 1.00 0.00 C ATOM 785 OE1 GLU A 50 9.657 -6.081 -10.873 1.00 0.00 O ATOM 786 OE2 GLU A 50 8.012 -6.941 -9.695 1.00 0.00 O ATOM 0 H GLU A 50 8.974 -1.345 -9.319 1.00 0.00 H new ATOM 0 HA GLU A 50 6.911 -2.116 -11.140 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.053 -3.263 -11.110 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.879 -3.655 -9.411 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.701 -4.900 -10.171 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.404 -4.811 -11.774 1.00 0.00 H new ATOM 793 N GLU A 51 6.570 -2.791 -7.926 1.00 0.00 N ATOM 794 CA GLU A 51 5.606 -3.171 -6.910 1.00 0.00 C ATOM 795 C GLU A 51 4.469 -2.161 -6.847 1.00 0.00 C ATOM 796 O GLU A 51 3.299 -2.534 -6.758 1.00 0.00 O ATOM 797 CB GLU A 51 6.289 -3.299 -5.548 1.00 0.00 C ATOM 798 CG GLU A 51 7.511 -4.202 -5.564 1.00 0.00 C ATOM 799 CD GLU A 51 8.100 -4.411 -4.182 1.00 0.00 C ATOM 800 OE1 GLU A 51 8.350 -3.405 -3.485 1.00 0.00 O ATOM 801 OE2 GLU A 51 8.311 -5.579 -3.797 1.00 0.00 O ATOM 0 H GLU A 51 7.495 -2.557 -7.566 1.00 0.00 H new ATOM 0 HA GLU A 51 5.187 -4.141 -7.177 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.584 -2.308 -5.204 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.571 -3.686 -4.825 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.239 -5.168 -5.989 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.269 -3.769 -6.217 1.00 0.00 H new ATOM 808 N GLN A 52 4.817 -0.880 -6.910 1.00 0.00 N ATOM 809 CA GLN A 52 3.816 0.179 -6.878 1.00 0.00 C ATOM 810 C GLN A 52 2.923 0.080 -8.105 1.00 0.00 C ATOM 811 O GLN A 52 1.708 0.203 -8.009 1.00 0.00 O ATOM 812 CB GLN A 52 4.487 1.558 -6.801 1.00 0.00 C ATOM 813 CG GLN A 52 5.028 2.063 -8.134 1.00 0.00 C ATOM 814 CD GLN A 52 3.997 2.780 -9.003 1.00 0.00 C ATOM 815 OE1 GLN A 52 2.807 3.045 -8.468 1.00 0.00 O flip ATOM 816 NE2 GLN A 52 4.276 3.095 -10.160 1.00 0.00 N flip ATOM 0 H GLN A 52 5.780 -0.552 -6.983 1.00 0.00 H new ATOM 0 HA GLN A 52 3.201 0.057 -5.986 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.766 2.280 -6.417 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.306 1.512 -6.083 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.858 2.743 -7.941 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.431 1.218 -8.692 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.197 2.877 -10.540 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.586 3.574 -10.739 1.00 0.00 H new ATOM 825 N ASP A 53 3.542 -0.170 -9.251 1.00 0.00 N ATOM 826 CA ASP A 53 2.820 -0.319 -10.502 1.00 0.00 C ATOM 827 C ASP A 53 1.959 -1.570 -10.453 1.00 0.00 C ATOM 828 O ASP A 53 0.874 -1.617 -11.026 1.00 0.00 O ATOM 829 CB ASP A 53 3.795 -0.398 -11.677 1.00 0.00 C ATOM 830 CG ASP A 53 3.118 -0.140 -13.009 1.00 0.00 C ATOM 831 OD1 ASP A 53 2.804 1.035 -13.298 1.00 0.00 O ATOM 832 OD2 ASP A 53 2.903 -1.111 -13.764 1.00 0.00 O ATOM 0 H ASP A 53 4.553 -0.274 -9.337 1.00 0.00 H new ATOM 0 HA ASP A 53 2.179 0.552 -10.643 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.594 0.329 -11.532 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.260 -1.384 -11.694 1.00 0.00 H new ATOM 837 N PHE A 54 2.474 -2.592 -9.777 1.00 0.00 N ATOM 838 CA PHE A 54 1.788 -3.861 -9.655 1.00 0.00 C ATOM 839 C PHE A 54 0.437 -3.702 -8.968 1.00 0.00 C ATOM 840 O PHE A 54 -0.589 -4.143 -9.488 1.00 0.00 O ATOM 841 CB PHE A 54 2.666 -4.817 -8.853 1.00 0.00 C ATOM 842 CG PHE A 54 3.119 -6.014 -9.630 1.00 0.00 C ATOM 843 CD1 PHE A 54 2.277 -7.096 -9.812 1.00 0.00 C ATOM 844 CD2 PHE A 54 4.389 -6.056 -10.179 1.00 0.00 C ATOM 845 CE1 PHE A 54 2.692 -8.201 -10.527 1.00 0.00 C ATOM 846 CE2 PHE A 54 4.813 -7.156 -10.896 1.00 0.00 C ATOM 847 CZ PHE A 54 3.962 -8.232 -11.070 1.00 0.00 C ATOM 0 H PHE A 54 3.376 -2.558 -9.302 1.00 0.00 H new ATOM 0 HA PHE A 54 1.606 -4.258 -10.654 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.541 -4.276 -8.493 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.114 -5.152 -7.975 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.283 -7.076 -9.390 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.056 -5.217 -10.044 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.025 -9.040 -10.662 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.806 -7.177 -11.320 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.290 -9.096 -11.630 1.00 0.00 H new ATOM 857 N LEU A 55 0.436 -3.052 -7.811 1.00 0.00 N ATOM 858 CA LEU A 55 -0.800 -2.816 -7.076 1.00 0.00 C ATOM 859 C LEU A 55 -1.609 -1.726 -7.752 1.00 0.00 C ATOM 860 O LEU A 55 -2.837 -1.778 -7.796 1.00 0.00 O ATOM 861 CB LEU A 55 -0.514 -2.429 -5.631 1.00 0.00 C ATOM 862 CG LEU A 55 0.722 -1.569 -5.430 1.00 0.00 C ATOM 863 CD1 LEU A 55 0.347 -0.101 -5.490 1.00 0.00 C ATOM 864 CD2 LEU A 55 1.387 -1.910 -4.109 1.00 0.00 C ATOM 0 H LEU A 55 1.273 -2.680 -7.363 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.374 -3.743 -7.074 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.378 -1.895 -5.236 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.405 -3.339 -5.042 1.00 0.00 H new ATOM 0 HG LEU A 55 1.435 -1.772 -6.229 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.239 0.509 -5.345 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.091 0.123 -6.462 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.376 0.122 -4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.272 -1.287 -3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.689 -1.728 -3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.679 -2.960 -4.109 1.00 0.00 H new ATOM 876 N THR A 56 -0.898 -0.736 -8.278 1.00 0.00 N ATOM 877 CA THR A 56 -1.517 0.381 -8.960 1.00 0.00 C ATOM 878 C THR A 56 -2.311 -0.127 -10.153 1.00 0.00 C ATOM 879 O THR A 56 -3.413 0.347 -10.432 1.00 0.00 O ATOM 880 CB THR A 56 -0.427 1.368 -9.392 1.00 0.00 C ATOM 881 OG1 THR A 56 -0.329 2.444 -8.481 1.00 0.00 O ATOM 882 CG2 THR A 56 -0.617 1.943 -10.778 1.00 0.00 C ATOM 0 H THR A 56 0.120 -0.690 -8.241 1.00 0.00 H new ATOM 0 HA THR A 56 -2.207 0.898 -8.293 1.00 0.00 H new ATOM 0 HB THR A 56 0.488 0.775 -9.404 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.610 2.706 -8.384 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.199 2.631 -11.002 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.621 1.135 -11.510 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.565 2.478 -10.823 1.00 0.00 H new ATOM 890 N LYS A 57 -1.755 -1.123 -10.830 1.00 0.00 N ATOM 891 CA LYS A 57 -2.415 -1.735 -11.967 1.00 0.00 C ATOM 892 C LYS A 57 -3.519 -2.648 -11.460 1.00 0.00 C ATOM 893 O LYS A 57 -4.577 -2.774 -12.078 1.00 0.00 O ATOM 894 CB LYS A 57 -1.415 -2.530 -12.811 1.00 0.00 C ATOM 895 CG LYS A 57 -1.676 -2.442 -14.305 1.00 0.00 C ATOM 896 CD LYS A 57 -0.420 -2.055 -15.069 1.00 0.00 C ATOM 897 CE LYS A 57 -0.279 -0.546 -15.183 1.00 0.00 C ATOM 898 NZ LYS A 57 0.828 -0.159 -16.100 1.00 0.00 N ATOM 0 H LYS A 57 -0.844 -1.523 -10.607 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.841 -0.956 -12.599 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.408 -2.167 -12.604 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.445 -3.576 -12.506 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.043 -3.402 -14.668 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.459 -1.709 -14.496 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.455 -2.466 -14.565 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.449 -2.495 -16.066 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.215 -0.120 -15.544 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.097 -0.123 -14.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.745 0.850 -16.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.741 -0.331 -15.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.772 -0.725 -16.970 1.00 0.00 H new ATOM 912 N HIS A 58 -3.261 -3.272 -10.312 1.00 0.00 N ATOM 913 CA HIS A 58 -4.226 -4.164 -9.690 1.00 0.00 C ATOM 914 C HIS A 58 -5.459 -3.381 -9.251 1.00 0.00 C ATOM 915 O HIS A 58 -6.569 -3.913 -9.226 1.00 0.00 O ATOM 916 CB HIS A 58 -3.602 -4.866 -8.485 1.00 0.00 C ATOM 917 CG HIS A 58 -4.341 -6.097 -8.064 1.00 0.00 C ATOM 918 ND1 HIS A 58 -5.291 -6.102 -7.065 1.00 0.00 N ATOM 919 CD2 HIS A 58 -4.265 -7.372 -8.514 1.00 0.00 C ATOM 920 CE1 HIS A 58 -5.767 -7.326 -6.918 1.00 0.00 C ATOM 921 NE2 HIS A 58 -5.162 -8.115 -7.786 1.00 0.00 N ATOM 0 H HIS A 58 -2.387 -3.173 -9.795 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.523 -4.916 -10.421 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.572 -5.133 -8.723 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.565 -4.169 -7.647 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -5.581 -5.288 -6.524 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -3.619 -7.737 -9.299 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -6.523 -7.629 -6.208 1.00 0.00 H new ATOM 930 N ALA A 59 -5.253 -2.110 -8.906 1.00 0.00 N ATOM 931 CA ALA A 59 -6.345 -1.250 -8.468 1.00 0.00 C ATOM 932 C ALA A 59 -7.383 -1.076 -9.572 1.00 0.00 C ATOM 933 O ALA A 59 -7.176 -0.315 -10.517 1.00 0.00 O ATOM 934 CB ALA A 59 -5.808 0.104 -8.028 1.00 0.00 C ATOM 0 H ALA A 59 -4.340 -1.656 -8.922 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.832 -1.728 -7.618 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.635 0.735 -7.704 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.110 -0.032 -7.202 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.294 0.580 -8.863 1.00 0.00 H new ATOM 940 N SER A 60 -8.499 -1.787 -9.446 1.00 0.00 N ATOM 941 CA SER A 60 -9.570 -1.712 -10.433 1.00 0.00 C ATOM 942 C SER A 60 -10.681 -0.779 -9.961 1.00 0.00 C ATOM 943 O SER A 60 -11.365 -0.154 -10.771 1.00 0.00 O ATOM 944 CB SER A 60 -10.139 -3.105 -10.705 1.00 0.00 C ATOM 945 OG SER A 60 -9.472 -3.726 -11.790 1.00 0.00 O ATOM 0 H SER A 60 -8.685 -2.422 -8.670 1.00 0.00 H new ATOM 0 HA SER A 60 -9.152 -1.311 -11.356 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.040 -3.722 -9.812 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.204 -3.030 -10.924 1.00 0.00 H new ATOM 0 HG SER A 60 -9.853 -4.616 -11.942 1.00 0.00 H new ATOM 951 N HIS A 61 -10.855 -0.691 -8.646 1.00 0.00 N ATOM 952 CA HIS A 61 -11.883 0.165 -8.066 1.00 0.00 C ATOM 953 C HIS A 61 -11.455 1.628 -8.100 1.00 0.00 C ATOM 954 O HIS A 61 -12.100 2.459 -8.741 1.00 0.00 O ATOM 955 CB HIS A 61 -12.178 -0.259 -6.626 1.00 0.00 C ATOM 956 CG HIS A 61 -13.479 0.265 -6.102 1.00 0.00 C ATOM 957 ND1 HIS A 61 -14.234 1.209 -6.768 1.00 0.00 N ATOM 958 CD2 HIS A 61 -14.160 -0.027 -4.968 1.00 0.00 C ATOM 959 CE1 HIS A 61 -15.322 1.474 -6.065 1.00 0.00 C ATOM 960 NE2 HIS A 61 -15.301 0.737 -4.970 1.00 0.00 N ATOM 0 H HIS A 61 -10.297 -1.202 -7.962 1.00 0.00 H new ATOM 0 HA HIS A 61 -12.789 0.056 -8.662 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -12.186 -1.348 -6.571 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -11.370 0.087 -5.981 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -13.861 -0.730 -4.204 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -16.097 2.175 -6.340 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -16.017 0.735 -4.243 1.00 0.00 H new ATOM 969 N THR A 62 -10.364 1.938 -7.405 1.00 0.00 N ATOM 970 CA THR A 62 -9.850 3.301 -7.357 1.00 0.00 C ATOM 971 C THR A 62 -8.339 3.307 -7.146 1.00 0.00 C ATOM 972 O THR A 62 -7.586 3.772 -8.001 1.00 0.00 O ATOM 973 CB THR A 62 -10.536 4.087 -6.238 1.00 0.00 C ATOM 974 OG1 THR A 62 -11.519 3.293 -5.597 1.00 0.00 O ATOM 975 CG2 THR A 62 -11.210 5.353 -6.721 1.00 0.00 C ATOM 0 H THR A 62 -9.820 1.263 -6.868 1.00 0.00 H new ATOM 0 HA THR A 62 -10.066 3.778 -8.313 1.00 0.00 H new ATOM 0 HB THR A 62 -9.739 4.361 -5.547 1.00 0.00 H new ATOM 0 HG1 THR A 62 -12.150 3.874 -5.123 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.676 5.862 -5.877 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.468 6.010 -7.175 1.00 0.00 H new ATOM 0 HG23 THR A 62 -11.972 5.101 -7.459 1.00 0.00 H new ATOM 983 N GLY A 63 -7.903 2.789 -6.002 1.00 0.00 N ATOM 984 CA GLY A 63 -6.484 2.745 -5.700 1.00 0.00 C ATOM 985 C GLY A 63 -6.165 1.825 -4.538 1.00 0.00 C ATOM 986 O GLY A 63 -7.062 1.222 -3.951 1.00 0.00 O ATOM 0 H GLY A 63 -8.507 2.399 -5.279 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.938 2.412 -6.583 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.134 3.751 -5.469 1.00 0.00 H new ATOM 990 N SER A 64 -4.882 1.723 -4.204 1.00 0.00 N ATOM 991 CA SER A 64 -4.436 0.873 -3.103 1.00 0.00 C ATOM 992 C SER A 64 -3.826 1.716 -1.988 1.00 0.00 C ATOM 993 O SER A 64 -3.455 2.869 -2.207 1.00 0.00 O ATOM 994 CB SER A 64 -3.417 -0.152 -3.601 1.00 0.00 C ATOM 995 OG SER A 64 -2.098 0.362 -3.530 1.00 0.00 O ATOM 0 H SER A 64 -4.130 2.220 -4.681 1.00 0.00 H new ATOM 0 HA SER A 64 -5.303 0.344 -2.706 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.489 -1.061 -3.003 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.648 -0.428 -4.630 1.00 0.00 H new ATOM 0 HG SER A 64 -2.029 1.165 -4.087 1.00 0.00 H new ATOM 1001 N TRP A 65 -3.711 1.140 -0.795 1.00 0.00 N ATOM 1002 CA TRP A 65 -3.135 1.864 0.333 1.00 0.00 C ATOM 1003 C TRP A 65 -1.746 1.340 0.645 1.00 0.00 C ATOM 1004 O TRP A 65 -1.527 0.133 0.714 1.00 0.00 O ATOM 1005 CB TRP A 65 -4.033 1.765 1.569 1.00 0.00 C ATOM 1006 CG TRP A 65 -5.152 2.761 1.556 1.00 0.00 C ATOM 1007 CD1 TRP A 65 -5.039 4.120 1.620 1.00 0.00 C ATOM 1008 CD2 TRP A 65 -6.552 2.478 1.466 1.00 0.00 C ATOM 1009 NE1 TRP A 65 -6.284 4.699 1.576 1.00 0.00 N ATOM 1010 CE2 TRP A 65 -7.229 3.712 1.481 1.00 0.00 C ATOM 1011 CE3 TRP A 65 -7.300 1.302 1.375 1.00 0.00 C ATOM 1012 CZ2 TRP A 65 -8.616 3.801 1.407 1.00 0.00 C ATOM 1013 CZ3 TRP A 65 -8.677 1.392 1.300 1.00 0.00 C ATOM 1014 CH2 TRP A 65 -9.322 2.633 1.316 1.00 0.00 C ATOM 0 H TRP A 65 -4.005 0.186 -0.586 1.00 0.00 H new ATOM 0 HA TRP A 65 -3.059 2.915 0.055 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.449 0.759 1.631 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -3.429 1.916 2.464 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.107 4.661 1.694 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.474 5.701 1.609 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.811 0.339 1.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.117 4.758 1.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -9.265 0.489 1.228 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.400 2.670 1.255 1.00 0.00 H new ATOM 1025 N ILE A 66 -0.809 2.261 0.815 1.00 0.00 N ATOM 1026 CA ILE A 66 0.569 1.900 1.098 1.00 0.00 C ATOM 1027 C ILE A 66 0.968 2.269 2.518 1.00 0.00 C ATOM 1028 O ILE A 66 0.273 3.022 3.197 1.00 0.00 O ATOM 1029 CB ILE A 66 1.530 2.566 0.097 1.00 0.00 C ATOM 1030 CG1 ILE A 66 1.785 4.029 0.477 1.00 0.00 C ATOM 1031 CG2 ILE A 66 0.953 2.467 -1.307 1.00 0.00 C ATOM 1032 CD1 ILE A 66 2.132 4.911 -0.704 1.00 0.00 C ATOM 0 H ILE A 66 -0.980 3.265 0.761 1.00 0.00 H new ATOM 0 HA ILE A 66 0.642 0.817 0.994 1.00 0.00 H new ATOM 0 HB ILE A 66 2.487 2.044 0.125 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.898 4.428 0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.598 4.071 1.202 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.635 2.939 -2.015 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.822 1.418 -1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.012 2.973 -1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.299 5.932 -0.359 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.037 4.537 -1.184 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.310 4.900 -1.420 1.00 0.00 H new ATOM 1044 N GLY A 67 2.093 1.721 2.954 1.00 0.00 N ATOM 1045 CA GLY A 67 2.590 1.981 4.288 1.00 0.00 C ATOM 1046 C GLY A 67 3.255 3.331 4.409 1.00 0.00 C ATOM 1047 O GLY A 67 4.405 3.427 4.838 1.00 0.00 O ATOM 0 H GLY A 67 2.676 1.094 2.400 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.764 1.923 4.997 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.302 1.204 4.564 1.00 0.00 H new ATOM 1051 N LEU A 68 2.534 4.377 4.031 1.00 0.00 N ATOM 1052 CA LEU A 68 3.069 5.725 4.104 1.00 0.00 C ATOM 1053 C LEU A 68 2.147 6.666 4.875 1.00 0.00 C ATOM 1054 O LEU A 68 0.965 6.804 4.558 1.00 0.00 O ATOM 1055 CB LEU A 68 3.313 6.274 2.698 1.00 0.00 C ATOM 1056 CG LEU A 68 4.608 7.061 2.539 1.00 0.00 C ATOM 1057 CD1 LEU A 68 4.719 7.631 1.137 1.00 0.00 C ATOM 1058 CD2 LEU A 68 4.675 8.164 3.578 1.00 0.00 C ATOM 0 H LEU A 68 1.581 4.317 3.672 1.00 0.00 H new ATOM 0 HA LEU A 68 4.014 5.670 4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.320 5.442 1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.477 6.917 2.423 1.00 0.00 H new ATOM 0 HG LEU A 68 5.450 6.387 2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.650 8.189 1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.710 6.817 0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.877 8.296 0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.604 8.722 3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.828 8.838 3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.642 7.726 4.576 1.00 0.00 H new ATOM 1070 N ARG A 69 2.719 7.330 5.873 1.00 0.00 N ATOM 1071 CA ARG A 69 1.992 8.292 6.693 1.00 0.00 C ATOM 1072 C ARG A 69 2.869 9.513 6.976 1.00 0.00 C ATOM 1073 O ARG A 69 3.952 9.385 7.544 1.00 0.00 O ATOM 1074 CB ARG A 69 1.544 7.640 8.004 1.00 0.00 C ATOM 1075 CG ARG A 69 1.293 8.629 9.134 1.00 0.00 C ATOM 1076 CD ARG A 69 2.252 8.406 10.292 1.00 0.00 C ATOM 1077 NE ARG A 69 1.648 8.753 11.576 1.00 0.00 N ATOM 1078 CZ ARG A 69 1.728 7.988 12.660 1.00 0.00 C ATOM 1079 NH1 ARG A 69 2.385 6.836 12.617 1.00 0.00 N ATOM 1080 NH2 ARG A 69 1.152 8.375 13.790 1.00 0.00 N ATOM 0 H ARG A 69 3.698 7.217 6.136 1.00 0.00 H new ATOM 0 HA ARG A 69 1.106 8.619 6.149 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.631 7.073 7.822 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.305 6.927 8.322 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.403 9.647 8.760 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.266 8.528 9.486 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.564 7.362 10.308 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.150 9.005 10.140 1.00 0.00 H new ATOM 0 HE ARG A 69 1.136 9.632 11.645 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.831 6.535 11.750 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.444 6.251 13.451 1.00 0.00 H new ATOM 0 HH21 ARG A 69 0.647 9.260 13.828 1.00 0.00 H new ATOM 0 HH22 ARG A 69 1.214 7.787 14.621 1.00 0.00 H new ATOM 1094 N ASN A 70 2.403 10.695 6.587 1.00 0.00 N ATOM 1095 CA ASN A 70 3.167 11.917 6.818 1.00 0.00 C ATOM 1096 C ASN A 70 2.908 12.459 8.221 1.00 0.00 C ATOM 1097 O ASN A 70 1.859 12.201 8.812 1.00 0.00 O ATOM 1098 CB ASN A 70 2.831 12.970 5.755 1.00 0.00 C ATOM 1099 CG ASN A 70 2.659 14.364 6.332 1.00 0.00 C ATOM 1100 OD1 ASN A 70 1.438 14.881 6.273 1.00 0.00 O flip ATOM 1101 ND2 ASN A 70 3.613 14.970 6.819 1.00 0.00 N flip ATOM 0 H ASN A 70 1.509 10.833 6.115 1.00 0.00 H new ATOM 0 HA ASN A 70 4.228 11.679 6.739 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.623 12.988 5.007 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.914 12.680 5.242 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.535 14.534 6.844 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.482 15.908 7.198 1.00 0.00 H new ATOM 1108 N LEU A 71 3.873 13.201 8.752 1.00 0.00 N ATOM 1109 CA LEU A 71 3.752 13.771 10.089 1.00 0.00 C ATOM 1110 C LEU A 71 2.698 14.874 10.121 1.00 0.00 C ATOM 1111 O LEU A 71 3.018 16.055 9.984 1.00 0.00 O ATOM 1112 CB LEU A 71 5.101 14.324 10.554 1.00 0.00 C ATOM 1113 CG LEU A 71 5.958 13.344 11.356 1.00 0.00 C ATOM 1114 CD1 LEU A 71 7.417 13.451 10.944 1.00 0.00 C ATOM 1115 CD2 LEU A 71 5.802 13.600 12.848 1.00 0.00 C ATOM 0 H LEU A 71 4.748 13.422 8.277 1.00 0.00 H new ATOM 0 HA LEU A 71 3.438 12.977 10.767 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.666 14.646 9.679 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.923 15.211 11.163 1.00 0.00 H new ATOM 0 HG LEU A 71 5.616 12.331 11.143 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.012 12.746 11.525 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.514 13.219 9.883 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.774 14.465 11.128 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.418 12.894 13.405 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.118 14.618 13.078 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.757 13.472 13.132 1.00 0.00 H new ATOM 1127 N ASP A 72 1.440 14.476 10.303 1.00 0.00 N ATOM 1128 CA ASP A 72 0.330 15.423 10.355 1.00 0.00 C ATOM 1129 C ASP A 72 0.245 16.237 9.066 1.00 0.00 C ATOM 1130 O ASP A 72 -0.457 15.859 8.128 1.00 0.00 O ATOM 1131 CB ASP A 72 0.479 16.355 11.559 1.00 0.00 C ATOM 1132 CG ASP A 72 -0.827 16.548 12.306 1.00 0.00 C ATOM 1133 OD1 ASP A 72 -1.493 15.534 12.607 1.00 0.00 O ATOM 1134 OD2 ASP A 72 -1.184 17.711 12.588 1.00 0.00 O ATOM 0 H ASP A 72 1.164 13.501 10.417 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.594 14.854 10.462 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.227 15.948 12.240 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.848 17.324 11.222 1.00 0.00 H new ATOM 1139 N LEU A 73 0.963 17.355 9.027 1.00 0.00 N ATOM 1140 CA LEU A 73 0.967 18.221 7.854 1.00 0.00 C ATOM 1141 C LEU A 73 2.209 19.107 7.840 1.00 0.00 C ATOM 1142 O LEU A 73 2.176 20.235 7.345 1.00 0.00 O ATOM 1143 CB LEU A 73 -0.295 19.088 7.831 1.00 0.00 C ATOM 1144 CG LEU A 73 -0.728 19.638 9.191 1.00 0.00 C ATOM 1145 CD1 LEU A 73 -1.014 21.128 9.098 1.00 0.00 C ATOM 1146 CD2 LEU A 73 -1.949 18.889 9.702 1.00 0.00 C ATOM 0 H LEU A 73 1.550 17.682 9.795 1.00 0.00 H new ATOM 0 HA LEU A 73 0.982 17.591 6.965 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.130 19.926 7.153 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.114 18.500 7.417 1.00 0.00 H new ATOM 0 HG LEU A 73 0.088 19.490 9.899 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.321 21.501 10.075 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.114 21.652 8.775 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.813 21.301 8.377 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.244 19.292 10.671 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.770 19.006 8.995 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.709 17.831 9.808 1.00 0.00 H new ATOM 1158 N LYS A 74 3.304 18.591 8.391 1.00 0.00 N ATOM 1159 CA LYS A 74 4.558 19.334 8.445 1.00 0.00 C ATOM 1160 C LYS A 74 5.243 19.351 7.083 1.00 0.00 C ATOM 1161 O LYS A 74 6.114 20.183 6.826 1.00 0.00 O ATOM 1162 CB LYS A 74 5.493 18.723 9.491 1.00 0.00 C ATOM 1163 CG LYS A 74 5.179 19.152 10.915 1.00 0.00 C ATOM 1164 CD LYS A 74 5.039 17.956 11.841 1.00 0.00 C ATOM 1165 CE LYS A 74 6.340 17.658 12.568 1.00 0.00 C ATOM 1166 NZ LYS A 74 6.503 18.502 13.783 1.00 0.00 N ATOM 0 H LYS A 74 3.348 17.661 8.807 1.00 0.00 H new ATOM 0 HA LYS A 74 4.328 20.361 8.728 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.435 17.636 9.427 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.520 19.002 9.255 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.970 19.806 11.281 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.256 19.731 10.926 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.250 18.148 12.569 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.735 17.082 11.265 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.365 16.606 12.851 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.180 17.827 11.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.402 18.268 14.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.505 19.506 13.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.716 18.323 14.438 1.00 0.00 H new ATOM 1180 N GLY A 75 4.843 18.430 6.212 1.00 0.00 N ATOM 1181 CA GLY A 75 5.427 18.361 4.885 1.00 0.00 C ATOM 1182 C GLY A 75 6.476 17.273 4.762 1.00 0.00 C ATOM 1183 O GLY A 75 7.253 17.260 3.807 1.00 0.00 O ATOM 0 H GLY A 75 4.125 17.731 6.401 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.638 18.183 4.154 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.877 19.323 4.640 1.00 0.00 H new ATOM 1187 N GLU A 76 6.497 16.355 5.724 1.00 0.00 N ATOM 1188 CA GLU A 76 7.459 15.260 5.710 1.00 0.00 C ATOM 1189 C GLU A 76 6.749 13.917 5.840 1.00 0.00 C ATOM 1190 O GLU A 76 5.990 13.694 6.781 1.00 0.00 O ATOM 1191 CB GLU A 76 8.478 15.423 6.840 1.00 0.00 C ATOM 1192 CG GLU A 76 8.036 16.386 7.930 1.00 0.00 C ATOM 1193 CD GLU A 76 9.096 16.588 8.995 1.00 0.00 C ATOM 1194 OE1 GLU A 76 10.258 16.865 8.631 1.00 0.00 O ATOM 1195 OE2 GLU A 76 8.765 16.467 10.193 1.00 0.00 O ATOM 0 H GLU A 76 5.860 16.348 6.521 1.00 0.00 H new ATOM 0 HA GLU A 76 7.985 15.286 4.756 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.671 14.447 7.286 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.421 15.773 6.419 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.789 17.348 7.481 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.126 16.009 8.396 1.00 0.00 H new ATOM 1202 N PHE A 77 6.995 13.030 4.882 1.00 0.00 N ATOM 1203 CA PHE A 77 6.372 11.715 4.882 1.00 0.00 C ATOM 1204 C PHE A 77 7.244 10.658 5.560 1.00 0.00 C ATOM 1205 O PHE A 77 8.473 10.694 5.484 1.00 0.00 O ATOM 1206 CB PHE A 77 6.019 11.278 3.453 1.00 0.00 C ATOM 1207 CG PHE A 77 7.149 11.306 2.446 1.00 0.00 C ATOM 1208 CD1 PHE A 77 8.437 11.698 2.792 1.00 0.00 C ATOM 1209 CD2 PHE A 77 6.903 10.935 1.133 1.00 0.00 C ATOM 1210 CE1 PHE A 77 9.450 11.719 1.851 1.00 0.00 C ATOM 1211 CE2 PHE A 77 7.913 10.956 0.189 1.00 0.00 C ATOM 1212 CZ PHE A 77 9.186 11.349 0.548 1.00 0.00 C ATOM 0 H PHE A 77 7.622 13.200 4.096 1.00 0.00 H new ATOM 0 HA PHE A 77 5.454 11.801 5.464 1.00 0.00 H new ATOM 0 HB2 PHE A 77 5.621 10.264 3.493 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.218 11.920 3.087 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.649 11.990 3.810 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.910 10.626 0.844 1.00 0.00 H new ATOM 0 HE1 PHE A 77 10.446 12.024 2.135 1.00 0.00 H new ATOM 0 HE2 PHE A 77 7.705 10.665 -0.830 1.00 0.00 H new ATOM 0 HZ PHE A 77 9.975 11.367 -0.190 1.00 0.00 H new ATOM 1222 N ILE A 78 6.580 9.720 6.228 1.00 0.00 N ATOM 1223 CA ILE A 78 7.249 8.635 6.932 1.00 0.00 C ATOM 1224 C ILE A 78 6.442 7.347 6.812 1.00 0.00 C ATOM 1225 O ILE A 78 5.219 7.371 6.862 1.00 0.00 O ATOM 1226 CB ILE A 78 7.458 8.983 8.418 1.00 0.00 C ATOM 1227 CG1 ILE A 78 8.809 9.688 8.587 1.00 0.00 C ATOM 1228 CG2 ILE A 78 7.350 7.736 9.292 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.741 9.043 9.595 1.00 0.00 C ATOM 0 H ILE A 78 5.563 9.692 6.296 1.00 0.00 H new ATOM 0 HA ILE A 78 8.226 8.490 6.471 1.00 0.00 H new ATOM 0 HB ILE A 78 6.672 9.662 8.747 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.310 9.721 7.619 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.629 10.720 8.888 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.501 8.009 10.336 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.361 7.293 9.173 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.110 7.014 8.992 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.670 9.610 9.646 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.266 9.035 10.576 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.957 8.020 9.288 1.00 0.00 H new ATOM 1241 N TRP A 79 7.130 6.227 6.645 1.00 0.00 N ATOM 1242 CA TRP A 79 6.456 4.939 6.503 1.00 0.00 C ATOM 1243 C TRP A 79 5.915 4.438 7.839 1.00 0.00 C ATOM 1244 O TRP A 79 6.460 4.745 8.899 1.00 0.00 O ATOM 1245 CB TRP A 79 7.416 3.901 5.916 1.00 0.00 C ATOM 1246 CG TRP A 79 7.822 4.189 4.502 1.00 0.00 C ATOM 1247 CD1 TRP A 79 7.142 4.942 3.588 1.00 0.00 C ATOM 1248 CD2 TRP A 79 9.002 3.721 3.838 1.00 0.00 C ATOM 1249 NE1 TRP A 79 7.827 4.973 2.398 1.00 0.00 N ATOM 1250 CE2 TRP A 79 8.972 4.231 2.525 1.00 0.00 C ATOM 1251 CE3 TRP A 79 10.081 2.922 4.227 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 9.979 3.966 1.602 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 11.080 2.661 3.308 1.00 0.00 C ATOM 1254 CH2 TRP A 79 11.024 3.182 2.009 1.00 0.00 C ATOM 0 H TRP A 79 8.148 6.181 6.604 1.00 0.00 H new ATOM 0 HA TRP A 79 5.613 5.082 5.827 1.00 0.00 H new ATOM 0 HB2 TRP A 79 8.309 3.852 6.539 1.00 0.00 H new ATOM 0 HB3 TRP A 79 6.945 2.919 5.957 1.00 0.00 H new ATOM 0 HD1 TRP A 79 6.202 5.441 3.774 1.00 0.00 H new ATOM 0 HE1 TRP A 79 7.531 5.468 1.556 1.00 0.00 H new ATOM 0 HE3 TRP A 79 10.133 2.516 5.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 9.937 4.365 0.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 11.918 2.045 3.597 1.00 0.00 H new ATOM 0 HH2 TRP A 79 11.821 2.961 1.315 1.00 0.00 H new ATOM 1265 N VAL A 80 4.836 3.659 7.769 1.00 0.00 N ATOM 1266 CA VAL A 80 4.204 3.096 8.960 1.00 0.00 C ATOM 1267 C VAL A 80 5.190 2.225 9.732 1.00 0.00 C ATOM 1268 O VAL A 80 5.067 2.046 10.944 1.00 0.00 O ATOM 1269 CB VAL A 80 2.969 2.247 8.582 1.00 0.00 C ATOM 1270 CG1 VAL A 80 3.264 1.407 7.355 1.00 0.00 C ATOM 1271 CG2 VAL A 80 2.526 1.370 9.746 1.00 0.00 C ATOM 0 H VAL A 80 4.379 3.403 6.894 1.00 0.00 H new ATOM 0 HA VAL A 80 3.887 3.929 9.587 1.00 0.00 H new ATOM 0 HB VAL A 80 2.148 2.925 8.349 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.386 0.814 7.100 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.516 2.060 6.519 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.103 0.742 7.562 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.655 0.785 9.450 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.338 0.698 10.025 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.267 1.999 10.598 1.00 0.00 H new ATOM 1281 N ASP A 81 6.175 1.691 9.018 1.00 0.00 N ATOM 1282 CA ASP A 81 7.188 0.840 9.626 1.00 0.00 C ATOM 1283 C ASP A 81 8.205 1.682 10.383 1.00 0.00 C ATOM 1284 O ASP A 81 9.192 1.165 10.906 1.00 0.00 O ATOM 1285 CB ASP A 81 7.893 0.007 8.554 1.00 0.00 C ATOM 1286 CG ASP A 81 8.601 -1.202 9.134 1.00 0.00 C ATOM 1287 OD1 ASP A 81 7.907 -2.168 9.518 1.00 0.00 O ATOM 1288 OD2 ASP A 81 9.847 -1.185 9.204 1.00 0.00 O ATOM 0 H ASP A 81 6.292 1.834 8.015 1.00 0.00 H new ATOM 0 HA ASP A 81 6.697 0.168 10.330 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.162 -0.323 7.815 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.616 0.632 8.030 1.00 0.00 H new ATOM 1293 N GLY A 82 7.949 2.984 10.442 1.00 0.00 N ATOM 1294 CA GLY A 82 8.840 3.884 11.140 1.00 0.00 C ATOM 1295 C GLY A 82 10.115 4.161 10.369 1.00 0.00 C ATOM 1296 O GLY A 82 11.203 4.182 10.945 1.00 0.00 O ATOM 0 H GLY A 82 7.137 3.431 10.017 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.324 4.825 11.330 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.093 3.458 12.111 1.00 0.00 H new ATOM 1300 N SER A 83 9.982 4.374 9.064 1.00 0.00 N ATOM 1301 CA SER A 83 11.136 4.652 8.218 1.00 0.00 C ATOM 1302 C SER A 83 10.800 5.690 7.153 1.00 0.00 C ATOM 1303 O SER A 83 9.945 5.460 6.299 1.00 0.00 O ATOM 1304 CB SER A 83 11.629 3.365 7.554 1.00 0.00 C ATOM 1305 OG SER A 83 10.578 2.425 7.421 1.00 0.00 O ATOM 0 H SER A 83 9.089 4.359 8.571 1.00 0.00 H new ATOM 0 HA SER A 83 11.927 5.055 8.851 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.043 3.594 6.572 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.435 2.932 8.146 1.00 0.00 H new ATOM 0 HG SER A 83 10.918 1.612 6.992 1.00 0.00 H new ATOM 1311 N HIS A 84 11.480 6.834 7.211 1.00 0.00 N ATOM 1312 CA HIS A 84 11.258 7.909 6.254 1.00 0.00 C ATOM 1313 C HIS A 84 11.257 7.376 4.826 1.00 0.00 C ATOM 1314 O HIS A 84 12.055 6.506 4.475 1.00 0.00 O ATOM 1315 CB HIS A 84 12.334 8.985 6.410 1.00 0.00 C ATOM 1316 CG HIS A 84 13.683 8.440 6.765 1.00 0.00 C ATOM 1317 ND1 HIS A 84 14.466 7.733 5.877 1.00 0.00 N ATOM 1318 CD2 HIS A 84 14.389 8.502 7.919 1.00 0.00 C ATOM 1319 CE1 HIS A 84 15.594 7.384 6.470 1.00 0.00 C ATOM 1320 NE2 HIS A 84 15.572 7.838 7.708 1.00 0.00 N ATOM 0 H HIS A 84 12.191 7.038 7.914 1.00 0.00 H new ATOM 0 HA HIS A 84 10.281 8.348 6.457 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.412 9.546 5.479 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.022 9.689 7.181 1.00 0.00 H new ATOM 0 HD2 HIS A 84 14.079 8.984 8.835 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.398 6.822 6.018 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.314 7.716 8.397 1.00 0.00 H new ATOM 1329 N VAL A 85 10.352 7.902 4.009 1.00 0.00 N ATOM 1330 CA VAL A 85 10.234 7.483 2.617 1.00 0.00 C ATOM 1331 C VAL A 85 11.553 7.664 1.873 1.00 0.00 C ATOM 1332 O VAL A 85 12.367 8.515 2.231 1.00 0.00 O ATOM 1333 CB VAL A 85 9.122 8.268 1.906 1.00 0.00 C ATOM 1334 CG1 VAL A 85 8.886 7.741 0.500 1.00 0.00 C ATOM 1335 CG2 VAL A 85 7.845 8.210 2.722 1.00 0.00 C ATOM 0 H VAL A 85 9.686 8.623 4.288 1.00 0.00 H new ATOM 0 HA VAL A 85 9.978 6.424 2.613 1.00 0.00 H new ATOM 0 HB VAL A 85 9.439 9.307 1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.093 8.318 0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.803 7.835 -0.082 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.593 6.692 0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.061 8.769 2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.534 7.172 2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.021 8.647 3.705 1.00 0.00 H new ATOM 1345 N ASP A 86 11.763 6.848 0.844 1.00 0.00 N ATOM 1346 CA ASP A 86 12.992 6.909 0.062 1.00 0.00 C ATOM 1347 C ASP A 86 12.724 7.294 -1.390 1.00 0.00 C ATOM 1348 O ASP A 86 12.956 8.434 -1.794 1.00 0.00 O ATOM 1349 CB ASP A 86 13.711 5.558 0.112 1.00 0.00 C ATOM 1350 CG ASP A 86 14.107 5.166 1.522 1.00 0.00 C ATOM 1351 OD1 ASP A 86 14.428 6.069 2.323 1.00 0.00 O ATOM 1352 OD2 ASP A 86 14.096 3.953 1.826 1.00 0.00 O ATOM 0 H ASP A 86 11.099 6.139 0.533 1.00 0.00 H new ATOM 0 HA ASP A 86 13.623 7.681 0.502 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.063 4.789 -0.308 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.602 5.600 -0.514 1.00 0.00 H new ATOM 1357 N TYR A 87 12.258 6.329 -2.177 1.00 0.00 N ATOM 1358 CA TYR A 87 11.984 6.556 -3.593 1.00 0.00 C ATOM 1359 C TYR A 87 10.718 7.375 -3.811 1.00 0.00 C ATOM 1360 O TYR A 87 10.718 8.329 -4.590 1.00 0.00 O ATOM 1361 CB TYR A 87 11.871 5.219 -4.330 1.00 0.00 C ATOM 1362 CG TYR A 87 13.027 4.280 -4.065 1.00 0.00 C ATOM 1363 CD1 TYR A 87 12.999 3.397 -2.993 1.00 0.00 C ATOM 1364 CD2 TYR A 87 14.147 4.279 -4.887 1.00 0.00 C ATOM 1365 CE1 TYR A 87 14.054 2.540 -2.748 1.00 0.00 C ATOM 1366 CE2 TYR A 87 15.206 3.424 -4.649 1.00 0.00 C ATOM 1367 CZ TYR A 87 15.155 2.557 -3.579 1.00 0.00 C ATOM 1368 OH TYR A 87 16.208 1.704 -3.339 1.00 0.00 O ATOM 0 H TYR A 87 12.062 5.380 -1.858 1.00 0.00 H new ATOM 0 HA TYR A 87 12.820 7.128 -3.995 1.00 0.00 H new ATOM 0 HB2 TYR A 87 10.942 4.730 -4.037 1.00 0.00 H new ATOM 0 HB3 TYR A 87 11.807 5.409 -5.401 1.00 0.00 H new ATOM 0 HD1 TYR A 87 12.138 3.380 -2.341 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.191 4.958 -5.726 1.00 0.00 H new ATOM 0 HE1 TYR A 87 14.017 1.860 -1.910 1.00 0.00 H new ATOM 0 HE2 TYR A 87 16.069 3.435 -5.298 1.00 0.00 H new ATOM 0 HH TYR A 87 16.902 1.842 -4.017 1.00 0.00 H new ATOM 1378 N SER A 88 9.638 6.987 -3.138 1.00 0.00 N ATOM 1379 CA SER A 88 8.351 7.671 -3.274 1.00 0.00 C ATOM 1380 C SER A 88 7.934 7.733 -4.741 1.00 0.00 C ATOM 1381 O SER A 88 8.684 7.325 -5.628 1.00 0.00 O ATOM 1382 CB SER A 88 8.403 9.079 -2.670 1.00 0.00 C ATOM 1383 OG SER A 88 9.730 9.571 -2.603 1.00 0.00 O ATOM 0 H SER A 88 9.627 6.199 -2.490 1.00 0.00 H new ATOM 0 HA SER A 88 7.606 7.098 -2.722 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.794 9.755 -3.270 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.970 9.062 -1.670 1.00 0.00 H new ATOM 0 HG SER A 88 9.833 10.126 -1.802 1.00 0.00 H new ATOM 1389 N ASN A 89 6.731 8.225 -4.997 1.00 0.00 N ATOM 1390 CA ASN A 89 6.232 8.311 -6.363 1.00 0.00 C ATOM 1391 C ASN A 89 5.619 9.679 -6.660 1.00 0.00 C ATOM 1392 O ASN A 89 5.486 10.048 -7.825 1.00 0.00 O ATOM 1393 CB ASN A 89 5.222 7.190 -6.614 1.00 0.00 C ATOM 1394 CG ASN A 89 5.838 6.019 -7.348 1.00 0.00 C ATOM 1395 OD1 ASN A 89 5.525 4.812 -6.898 1.00 0.00 O flip ATOM 1396 ND2 ASN A 89 6.588 6.196 -8.308 1.00 0.00 N flip ATOM 0 H ASN A 89 6.087 8.568 -4.285 1.00 0.00 H new ATOM 0 HA ASN A 89 7.076 8.190 -7.043 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.818 6.847 -5.661 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.385 7.580 -7.193 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.802 7.143 -8.620 1.00 0.00 H new ATOM 0 HD22 ASN A 89 6.996 5.395 -8.791 1.00 0.00 H new ATOM 1403 N TRP A 90 5.264 10.418 -5.597 1.00 0.00 N ATOM 1404 CA TRP A 90 4.673 11.764 -5.717 1.00 0.00 C ATOM 1405 C TRP A 90 4.397 12.155 -7.169 1.00 0.00 C ATOM 1406 O TRP A 90 5.310 12.539 -7.900 1.00 0.00 O ATOM 1407 CB TRP A 90 5.602 12.808 -5.092 1.00 0.00 C ATOM 1408 CG TRP A 90 5.715 12.726 -3.601 1.00 0.00 C ATOM 1409 CD1 TRP A 90 5.412 11.658 -2.805 1.00 0.00 C ATOM 1410 CD2 TRP A 90 6.169 13.763 -2.725 1.00 0.00 C ATOM 1411 NE1 TRP A 90 5.660 11.965 -1.493 1.00 0.00 N ATOM 1412 CE2 TRP A 90 6.122 13.252 -1.416 1.00 0.00 C ATOM 1413 CE3 TRP A 90 6.613 15.074 -2.921 1.00 0.00 C ATOM 1414 CZ2 TRP A 90 6.504 14.006 -0.308 1.00 0.00 C ATOM 1415 CZ3 TRP A 90 6.990 15.821 -1.821 1.00 0.00 C ATOM 1416 CH2 TRP A 90 6.933 15.285 -0.529 1.00 0.00 C ATOM 0 H TRP A 90 5.377 10.103 -4.634 1.00 0.00 H new ATOM 0 HA TRP A 90 3.721 11.735 -5.187 1.00 0.00 H new ATOM 0 HB2 TRP A 90 6.596 12.697 -5.526 1.00 0.00 H new ATOM 0 HB3 TRP A 90 5.245 13.802 -5.362 1.00 0.00 H new ATOM 0 HD1 TRP A 90 5.033 10.711 -3.158 1.00 0.00 H new ATOM 0 HE1 TRP A 90 5.523 11.337 -0.701 1.00 0.00 H new ATOM 0 HE3 TRP A 90 6.661 15.496 -3.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 6.463 13.595 0.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 7.334 16.835 -1.960 1.00 0.00 H new ATOM 0 HH2 TRP A 90 7.234 15.894 0.310 1.00 0.00 H new ATOM 1427 N ALA A 91 3.136 12.062 -7.575 1.00 0.00 N ATOM 1428 CA ALA A 91 2.741 12.410 -8.936 1.00 0.00 C ATOM 1429 C ALA A 91 3.187 13.825 -9.295 1.00 0.00 C ATOM 1430 O ALA A 91 3.033 14.753 -8.501 1.00 0.00 O ATOM 1431 CB ALA A 91 1.235 12.274 -9.099 1.00 0.00 C ATOM 0 H ALA A 91 2.368 11.748 -6.981 1.00 0.00 H new ATOM 0 HA ALA A 91 3.235 11.718 -9.618 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.954 12.537 -10.119 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.938 11.245 -8.894 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.732 12.942 -8.401 1.00 0.00 H new ATOM 1437 N PRO A 92 3.750 14.009 -10.503 1.00 0.00 N ATOM 1438 CA PRO A 92 4.219 15.321 -10.962 1.00 0.00 C ATOM 1439 C PRO A 92 3.068 16.264 -11.294 1.00 0.00 C ATOM 1440 O PRO A 92 3.180 17.478 -11.127 1.00 0.00 O ATOM 1441 CB PRO A 92 5.019 14.988 -12.223 1.00 0.00 C ATOM 1442 CG PRO A 92 4.417 13.724 -12.729 1.00 0.00 C ATOM 1443 CD PRO A 92 3.974 12.957 -11.513 1.00 0.00 C ATOM 0 HA PRO A 92 4.798 15.839 -10.197 1.00 0.00 H new ATOM 0 HB2 PRO A 92 4.944 15.786 -12.962 1.00 0.00 H new ATOM 0 HB3 PRO A 92 6.078 14.860 -11.998 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.574 13.930 -13.388 1.00 0.00 H new ATOM 0 HG3 PRO A 92 5.142 13.152 -13.308 1.00 0.00 H new ATOM 0 HD2 PRO A 92 3.065 12.387 -11.707 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.733 12.245 -11.189 1.00 0.00 H new ATOM 1451 N GLY A 93 1.962 15.696 -11.765 1.00 0.00 N ATOM 1452 CA GLY A 93 0.805 16.501 -12.114 1.00 0.00 C ATOM 1453 C GLY A 93 -0.465 16.011 -11.446 1.00 0.00 C ATOM 1454 O GLY A 93 -1.213 15.222 -12.023 1.00 0.00 O ATOM 0 H GLY A 93 1.846 14.693 -11.911 1.00 0.00 H new ATOM 0 HA2 GLY A 93 0.987 17.537 -11.827 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.671 16.489 -13.196 1.00 0.00 H new ATOM 1458 N GLU A 94 -0.709 16.481 -10.227 1.00 0.00 N ATOM 1459 CA GLU A 94 -1.896 16.087 -9.478 1.00 0.00 C ATOM 1460 C GLU A 94 -2.252 17.139 -8.430 1.00 0.00 C ATOM 1461 O GLU A 94 -1.685 17.154 -7.336 1.00 0.00 O ATOM 1462 CB GLU A 94 -1.674 14.732 -8.803 1.00 0.00 C ATOM 1463 CG GLU A 94 -2.941 13.904 -8.670 1.00 0.00 C ATOM 1464 CD GLU A 94 -3.268 13.132 -9.932 1.00 0.00 C ATOM 1465 OE1 GLU A 94 -3.814 13.741 -10.877 1.00 0.00 O ATOM 1466 OE2 GLU A 94 -2.979 11.918 -9.978 1.00 0.00 O ATOM 0 H GLU A 94 -0.100 17.136 -9.737 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.726 16.003 -10.179 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.939 14.166 -9.375 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.250 14.894 -7.812 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.829 13.206 -7.840 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.775 14.561 -8.424 1.00 0.00 H new ATOM 1473 N PRO A 95 -3.201 18.037 -8.749 1.00 0.00 N ATOM 1474 CA PRO A 95 -3.630 19.095 -7.826 1.00 0.00 C ATOM 1475 C PRO A 95 -4.376 18.542 -6.617 1.00 0.00 C ATOM 1476 O PRO A 95 -5.517 18.093 -6.731 1.00 0.00 O ATOM 1477 CB PRO A 95 -4.561 19.960 -8.679 1.00 0.00 C ATOM 1478 CG PRO A 95 -5.057 19.048 -9.746 1.00 0.00 C ATOM 1479 CD PRO A 95 -3.930 18.094 -10.030 1.00 0.00 C ATOM 0 HA PRO A 95 -2.782 19.641 -7.412 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -5.384 20.359 -8.086 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -4.031 20.813 -9.103 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -5.949 18.513 -9.419 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -5.331 19.607 -10.641 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -4.299 17.112 -10.326 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.294 18.453 -10.839 1.00 0.00 H new ATOM 1487 N THR A 96 -3.723 18.575 -5.459 1.00 0.00 N ATOM 1488 CA THR A 96 -4.323 18.077 -4.227 1.00 0.00 C ATOM 1489 C THR A 96 -5.358 19.060 -3.689 1.00 0.00 C ATOM 1490 O THR A 96 -5.144 20.273 -3.707 1.00 0.00 O ATOM 1491 CB THR A 96 -3.243 17.827 -3.172 1.00 0.00 C ATOM 1492 OG1 THR A 96 -3.829 17.517 -1.921 1.00 0.00 O ATOM 1493 CG2 THR A 96 -2.320 19.009 -2.968 1.00 0.00 C ATOM 0 H THR A 96 -2.778 18.942 -5.349 1.00 0.00 H new ATOM 0 HA THR A 96 -4.825 17.136 -4.452 1.00 0.00 H new ATOM 0 HB THR A 96 -2.655 16.991 -3.551 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.137 17.516 -1.227 1.00 0.00 H new ATOM 0 HG21 THR A 96 -1.579 18.765 -2.207 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.815 19.242 -3.905 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.901 19.873 -2.644 1.00 0.00 H new ATOM 1501 N SER A 97 -6.479 18.529 -3.212 1.00 0.00 N ATOM 1502 CA SER A 97 -7.548 19.360 -2.669 1.00 0.00 C ATOM 1503 C SER A 97 -7.369 19.563 -1.168 1.00 0.00 C ATOM 1504 O SER A 97 -6.730 18.756 -0.494 1.00 0.00 O ATOM 1505 CB SER A 97 -8.910 18.724 -2.951 1.00 0.00 C ATOM 1506 OG SER A 97 -9.224 18.781 -4.331 1.00 0.00 O ATOM 0 H SER A 97 -6.671 17.527 -3.190 1.00 0.00 H new ATOM 0 HA SER A 97 -7.502 20.333 -3.157 1.00 0.00 H new ATOM 0 HB2 SER A 97 -8.906 17.686 -2.619 1.00 0.00 H new ATOM 0 HB3 SER A 97 -9.681 19.239 -2.378 1.00 0.00 H new ATOM 0 HG SER A 97 -10.099 18.366 -4.485 1.00 0.00 H new ATOM 1512 N ARG A 98 -7.939 20.648 -0.652 1.00 0.00 N ATOM 1513 CA ARG A 98 -7.843 20.959 0.770 1.00 0.00 C ATOM 1514 C ARG A 98 -9.200 20.814 1.451 1.00 0.00 C ATOM 1515 O ARG A 98 -10.205 21.342 0.972 1.00 0.00 O ATOM 1516 CB ARG A 98 -7.310 22.380 0.968 1.00 0.00 C ATOM 1517 CG ARG A 98 -6.639 22.595 2.314 1.00 0.00 C ATOM 1518 CD ARG A 98 -5.305 23.310 2.163 1.00 0.00 C ATOM 1519 NE ARG A 98 -5.455 24.622 1.539 1.00 0.00 N ATOM 1520 CZ ARG A 98 -4.477 25.247 0.892 1.00 0.00 C ATOM 1521 NH1 ARG A 98 -3.281 24.682 0.784 1.00 0.00 N ATOM 1522 NH2 ARG A 98 -4.692 26.438 0.351 1.00 0.00 N ATOM 0 H ARG A 98 -8.472 21.326 -1.197 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.150 20.251 1.225 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.596 22.605 0.175 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.134 23.086 0.865 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.295 23.179 2.960 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.484 21.633 2.803 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -4.843 23.426 3.143 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -4.632 22.698 1.563 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.362 25.085 1.604 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -3.111 23.766 1.198 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -2.532 25.164 0.287 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.610 26.876 0.431 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -3.940 26.916 -0.145 1.00 0.00 H new ATOM 1536 N SER A 99 -9.222 20.097 2.570 1.00 0.00 N ATOM 1537 CA SER A 99 -10.456 19.882 3.317 1.00 0.00 C ATOM 1538 C SER A 99 -10.157 19.498 4.762 1.00 0.00 C ATOM 1539 O SER A 99 -10.720 20.071 5.697 1.00 0.00 O ATOM 1540 CB SER A 99 -11.298 18.792 2.651 1.00 0.00 C ATOM 1541 OG SER A 99 -12.311 19.355 1.836 1.00 0.00 O ATOM 0 H SER A 99 -8.399 19.655 2.979 1.00 0.00 H new ATOM 0 HA SER A 99 -11.018 20.816 3.317 1.00 0.00 H new ATOM 0 HB2 SER A 99 -10.656 18.151 2.047 1.00 0.00 H new ATOM 0 HB3 SER A 99 -11.751 18.161 3.415 1.00 0.00 H new ATOM 0 HG SER A 99 -11.944 20.112 1.334 1.00 0.00 H new ATOM 1547 N GLN A 100 -9.268 18.526 4.940 1.00 0.00 N ATOM 1548 CA GLN A 100 -8.895 18.065 6.272 1.00 0.00 C ATOM 1549 C GLN A 100 -7.388 18.174 6.483 1.00 0.00 C ATOM 1550 O GLN A 100 -6.649 18.545 5.572 1.00 0.00 O ATOM 1551 CB GLN A 100 -9.347 16.618 6.480 1.00 0.00 C ATOM 1552 CG GLN A 100 -10.852 16.431 6.377 1.00 0.00 C ATOM 1553 CD GLN A 100 -11.596 17.038 7.551 1.00 0.00 C ATOM 1554 OE1 GLN A 100 -12.154 18.131 7.449 1.00 0.00 O ATOM 1555 NE2 GLN A 100 -11.609 16.330 8.673 1.00 0.00 N ATOM 0 H GLN A 100 -8.793 18.042 4.178 1.00 0.00 H new ATOM 0 HA GLN A 100 -9.394 18.702 7.002 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -8.859 15.984 5.740 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -9.013 16.279 7.461 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -11.208 16.884 5.452 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -11.079 15.367 6.319 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.133 15.429 8.713 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -12.095 16.687 9.496 1.00 0.00 H new ATOM 1564 N GLY A 101 -6.940 17.848 7.692 1.00 0.00 N ATOM 1565 CA GLY A 101 -5.524 17.916 8.002 1.00 0.00 C ATOM 1566 C GLY A 101 -4.926 16.553 8.291 1.00 0.00 C ATOM 1567 O GLY A 101 -4.132 16.400 9.220 1.00 0.00 O ATOM 0 H GLY A 101 -7.533 17.538 8.462 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.994 18.372 7.166 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.375 18.565 8.865 1.00 0.00 H new ATOM 1571 N GLU A 102 -5.306 15.560 7.492 1.00 0.00 N ATOM 1572 CA GLU A 102 -4.801 14.203 7.666 1.00 0.00 C ATOM 1573 C GLU A 102 -3.405 14.062 7.066 1.00 0.00 C ATOM 1574 O GLU A 102 -2.714 15.055 6.842 1.00 0.00 O ATOM 1575 CB GLU A 102 -5.755 13.197 7.021 1.00 0.00 C ATOM 1576 CG GLU A 102 -6.225 12.108 7.972 1.00 0.00 C ATOM 1577 CD GLU A 102 -7.736 11.992 8.025 1.00 0.00 C ATOM 1578 OE1 GLU A 102 -8.310 11.311 7.150 1.00 0.00 O ATOM 1579 OE2 GLU A 102 -8.345 12.582 8.942 1.00 0.00 O ATOM 0 H GLU A 102 -5.962 15.670 6.718 1.00 0.00 H new ATOM 0 HA GLU A 102 -4.738 13.997 8.734 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.624 13.729 6.634 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.259 12.734 6.168 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.802 11.153 7.662 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.845 12.316 8.972 1.00 0.00 H new ATOM 1586 N ASP A 103 -2.995 12.821 6.809 1.00 0.00 N ATOM 1587 CA ASP A 103 -1.678 12.556 6.237 1.00 0.00 C ATOM 1588 C ASP A 103 -1.579 11.119 5.735 1.00 0.00 C ATOM 1589 O ASP A 103 -1.319 10.198 6.509 1.00 0.00 O ATOM 1590 CB ASP A 103 -0.593 12.817 7.280 1.00 0.00 C ATOM 1591 CG ASP A 103 -1.025 12.409 8.675 1.00 0.00 C ATOM 1592 OD1 ASP A 103 -1.674 13.229 9.360 1.00 0.00 O ATOM 1593 OD2 ASP A 103 -0.716 11.270 9.084 1.00 0.00 O ATOM 0 H ASP A 103 -3.554 11.987 6.987 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.534 13.226 5.390 1.00 0.00 H new ATOM 0 HB2 ASP A 103 0.309 12.270 7.007 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.337 13.876 7.277 1.00 0.00 H new ATOM 1598 N CYS A 104 -1.788 10.930 4.433 1.00 0.00 N ATOM 1599 CA CYS A 104 -1.721 9.603 3.832 1.00 0.00 C ATOM 1600 C CYS A 104 -1.418 9.685 2.337 1.00 0.00 C ATOM 1601 O CYS A 104 -1.775 10.655 1.666 1.00 0.00 O ATOM 1602 CB CYS A 104 -3.039 8.847 4.049 1.00 0.00 C ATOM 1603 SG CYS A 104 -4.226 9.690 5.148 1.00 0.00 S ATOM 0 H CYS A 104 -2.005 11.680 3.776 1.00 0.00 H new ATOM 0 HA CYS A 104 -0.910 9.062 4.320 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -3.513 8.684 3.081 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -2.815 7.864 4.464 1.00 0.00 H new ATOM 1608 N VAL A 105 -0.760 8.654 1.819 1.00 0.00 N ATOM 1609 CA VAL A 105 -0.423 8.603 0.406 1.00 0.00 C ATOM 1610 C VAL A 105 -1.272 7.571 -0.317 1.00 0.00 C ATOM 1611 O VAL A 105 -1.448 6.448 0.156 1.00 0.00 O ATOM 1612 CB VAL A 105 1.065 8.279 0.180 1.00 0.00 C ATOM 1613 CG1 VAL A 105 1.333 7.997 -1.290 1.00 0.00 C ATOM 1614 CG2 VAL A 105 1.926 9.428 0.666 1.00 0.00 C ATOM 0 H VAL A 105 -0.451 7.845 2.357 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.627 9.594 0.001 1.00 0.00 H new ATOM 0 HB VAL A 105 1.319 7.385 0.750 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.390 7.770 -1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.733 7.146 -1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.068 8.873 -1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.977 9.190 0.502 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.669 10.333 0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.752 9.588 1.730 1.00 0.00 H new ATOM 1624 N MET A 106 -1.794 7.965 -1.466 1.00 0.00 N ATOM 1625 CA MET A 106 -2.628 7.089 -2.272 1.00 0.00 C ATOM 1626 C MET A 106 -2.133 7.066 -3.709 1.00 0.00 C ATOM 1627 O MET A 106 -1.322 7.896 -4.101 1.00 0.00 O ATOM 1628 CB MET A 106 -4.082 7.557 -2.231 1.00 0.00 C ATOM 1629 CG MET A 106 -4.281 8.968 -2.758 1.00 0.00 C ATOM 1630 SD MET A 106 -5.258 9.996 -1.643 1.00 0.00 S ATOM 1631 CE MET A 106 -4.136 11.367 -1.378 1.00 0.00 C ATOM 0 H MET A 106 -1.654 8.893 -1.864 1.00 0.00 H new ATOM 0 HA MET A 106 -2.569 6.081 -1.861 1.00 0.00 H new ATOM 0 HB2 MET A 106 -4.693 6.870 -2.816 1.00 0.00 H new ATOM 0 HB3 MET A 106 -4.442 7.508 -1.203 1.00 0.00 H new ATOM 0 HG2 MET A 106 -3.308 9.433 -2.916 1.00 0.00 H new ATOM 0 HG3 MET A 106 -4.774 8.923 -3.729 1.00 0.00 H new ATOM 0 HE1 MET A 106 -4.459 11.939 -0.508 1.00 0.00 H new ATOM 0 HE2 MET A 106 -3.129 10.986 -1.208 1.00 0.00 H new ATOM 0 HE3 MET A 106 -4.136 12.012 -2.257 1.00 0.00 H new ATOM 1641 N MET A 107 -2.625 6.124 -4.497 1.00 0.00 N ATOM 1642 CA MET A 107 -2.220 6.031 -5.889 1.00 0.00 C ATOM 1643 C MET A 107 -3.435 6.119 -6.800 1.00 0.00 C ATOM 1644 O MET A 107 -4.470 5.502 -6.543 1.00 0.00 O ATOM 1645 CB MET A 107 -1.426 4.741 -6.152 1.00 0.00 C ATOM 1646 CG MET A 107 -2.263 3.496 -6.429 1.00 0.00 C ATOM 1647 SD MET A 107 -3.095 3.493 -8.041 1.00 0.00 S ATOM 1648 CE MET A 107 -2.011 4.518 -9.037 1.00 0.00 C ATOM 0 H MET A 107 -3.299 5.419 -4.200 1.00 0.00 H new ATOM 0 HA MET A 107 -1.562 6.872 -6.110 1.00 0.00 H new ATOM 0 HB2 MET A 107 -0.765 4.909 -7.003 1.00 0.00 H new ATOM 0 HB3 MET A 107 -0.790 4.545 -5.289 1.00 0.00 H new ATOM 0 HG2 MET A 107 -1.619 2.619 -6.365 1.00 0.00 H new ATOM 0 HG3 MET A 107 -3.015 3.397 -5.646 1.00 0.00 H new ATOM 0 HE1 MET A 107 -2.227 4.357 -10.093 1.00 0.00 H new ATOM 0 HE2 MET A 107 -2.173 5.567 -8.789 1.00 0.00 H new ATOM 0 HE3 MET A 107 -0.973 4.254 -8.835 1.00 0.00 H new ATOM 1658 N ARG A 108 -3.293 6.901 -7.863 1.00 0.00 N ATOM 1659 CA ARG A 108 -4.368 7.096 -8.834 1.00 0.00 C ATOM 1660 C ARG A 108 -3.942 8.078 -9.921 1.00 0.00 C ATOM 1661 O ARG A 108 -2.867 8.674 -9.848 1.00 0.00 O ATOM 1662 CB ARG A 108 -5.632 7.612 -8.141 1.00 0.00 C ATOM 1663 CG ARG A 108 -6.916 7.041 -8.719 1.00 0.00 C ATOM 1664 CD ARG A 108 -8.054 8.047 -8.650 1.00 0.00 C ATOM 1665 NE ARG A 108 -7.741 9.278 -9.371 1.00 0.00 N ATOM 1666 CZ ARG A 108 -8.655 10.034 -9.971 1.00 0.00 C ATOM 1667 NH1 ARG A 108 -9.935 9.688 -9.936 1.00 0.00 N ATOM 1668 NH2 ARG A 108 -8.289 11.138 -10.608 1.00 0.00 N ATOM 0 H ARG A 108 -2.438 7.415 -8.077 1.00 0.00 H new ATOM 0 HA ARG A 108 -4.583 6.132 -9.294 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -5.580 7.368 -7.080 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.661 8.699 -8.217 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.751 6.748 -9.756 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -7.193 6.139 -8.173 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -8.957 7.602 -9.068 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -8.267 8.282 -7.607 1.00 0.00 H new ATOM 0 HE ARG A 108 -6.766 9.574 -9.417 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -10.221 8.839 -9.448 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -10.634 10.271 -10.398 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.306 11.407 -10.638 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -8.991 11.718 -11.068 1.00 0.00 H new ATOM 1682 N GLY A 109 -4.795 8.245 -10.927 1.00 0.00 N ATOM 1683 CA GLY A 109 -4.492 9.159 -12.012 1.00 0.00 C ATOM 1684 C GLY A 109 -3.872 8.465 -13.209 1.00 0.00 C ATOM 1685 O GLY A 109 -4.581 7.962 -14.080 1.00 0.00 O ATOM 0 H GLY A 109 -5.690 7.763 -11.010 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -5.407 9.662 -12.323 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -3.811 9.930 -11.652 1.00 0.00 H new ATOM 1689 N SER A 110 -2.543 8.443 -13.255 1.00 0.00 N ATOM 1690 CA SER A 110 -1.824 7.812 -14.356 1.00 0.00 C ATOM 1691 C SER A 110 -1.249 6.463 -13.937 1.00 0.00 C ATOM 1692 O SER A 110 -0.932 5.624 -14.781 1.00 0.00 O ATOM 1693 CB SER A 110 -0.699 8.725 -14.844 1.00 0.00 C ATOM 1694 OG SER A 110 -1.214 9.951 -15.333 1.00 0.00 O ATOM 0 H SER A 110 -1.942 8.856 -12.541 1.00 0.00 H new ATOM 0 HA SER A 110 -2.532 7.646 -15.168 1.00 0.00 H new ATOM 0 HB2 SER A 110 -0.004 8.919 -14.027 1.00 0.00 H new ATOM 0 HB3 SER A 110 -0.135 8.224 -15.631 1.00 0.00 H new ATOM 0 HG SER A 110 -0.475 10.518 -15.637 1.00 0.00 H new ATOM 1700 N GLY A 111 -1.116 6.260 -12.631 1.00 0.00 N ATOM 1701 CA GLY A 111 -0.576 5.012 -12.127 1.00 0.00 C ATOM 1702 C GLY A 111 0.536 5.227 -11.118 1.00 0.00 C ATOM 1703 O GLY A 111 1.345 4.332 -10.877 1.00 0.00 O ATOM 0 H GLY A 111 -1.373 6.937 -11.913 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -1.376 4.434 -11.664 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -0.197 4.421 -12.961 1.00 0.00 H new ATOM 1707 N ARG A 112 0.577 6.420 -10.530 1.00 0.00 N ATOM 1708 CA ARG A 112 1.599 6.750 -9.546 1.00 0.00 C ATOM 1709 C ARG A 112 0.974 7.037 -8.182 1.00 0.00 C ATOM 1710 O ARG A 112 -0.150 6.630 -7.906 1.00 0.00 O ATOM 1711 CB ARG A 112 2.414 7.958 -10.013 1.00 0.00 C ATOM 1712 CG ARG A 112 1.563 9.094 -10.553 1.00 0.00 C ATOM 1713 CD ARG A 112 1.559 9.115 -12.073 1.00 0.00 C ATOM 1714 NE ARG A 112 1.783 10.458 -12.602 1.00 0.00 N ATOM 1715 CZ ARG A 112 0.822 11.367 -12.739 1.00 0.00 C ATOM 1716 NH1 ARG A 112 -0.424 11.078 -12.386 1.00 0.00 N ATOM 1717 NH2 ARG A 112 1.106 12.566 -13.230 1.00 0.00 N ATOM 0 H ARG A 112 -0.086 7.172 -10.719 1.00 0.00 H new ATOM 0 HA ARG A 112 2.261 5.890 -9.445 1.00 0.00 H new ATOM 0 HB2 ARG A 112 3.011 8.327 -9.179 1.00 0.00 H new ATOM 0 HB3 ARG A 112 3.111 7.638 -10.787 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.542 8.990 -10.187 1.00 0.00 H new ATOM 0 HG3 ARG A 112 1.942 10.044 -10.176 1.00 0.00 H new ATOM 0 HD2 ARG A 112 2.333 8.444 -12.447 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.605 8.736 -12.438 1.00 0.00 H new ATOM 0 HE ARG A 112 2.730 10.713 -12.882 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -0.647 10.157 -12.009 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.159 11.777 -12.492 1.00 0.00 H new ATOM 0 HH21 ARG A 112 2.062 12.792 -13.503 1.00 0.00 H new ATOM 0 HH22 ARG A 112 0.368 13.262 -13.335 1.00 0.00 H new ATOM 1731 N TRP A 113 1.719 7.740 -7.335 1.00 0.00 N ATOM 1732 CA TRP A 113 1.265 8.088 -5.995 1.00 0.00 C ATOM 1733 C TRP A 113 0.916 9.552 -5.889 1.00 0.00 C ATOM 1734 O TRP A 113 1.359 10.378 -6.681 1.00 0.00 O ATOM 1735 CB TRP A 113 2.348 7.868 -4.944 1.00 0.00 C ATOM 1736 CG TRP A 113 2.785 6.467 -4.720 1.00 0.00 C ATOM 1737 CD1 TRP A 113 2.465 5.355 -5.438 1.00 0.00 C ATOM 1738 CD2 TRP A 113 3.669 6.048 -3.687 1.00 0.00 C ATOM 1739 NE1 TRP A 113 3.106 4.262 -4.906 1.00 0.00 N ATOM 1740 CE2 TRP A 113 3.851 4.665 -3.824 1.00 0.00 C ATOM 1741 CE3 TRP A 113 4.324 6.725 -2.655 1.00 0.00 C ATOM 1742 CZ2 TRP A 113 4.669 3.936 -2.962 1.00 0.00 C ATOM 1743 CZ3 TRP A 113 5.134 6.003 -1.800 1.00 0.00 C ATOM 1744 CH2 TRP A 113 5.301 4.621 -1.958 1.00 0.00 C ATOM 0 H TRP A 113 2.653 8.084 -7.559 1.00 0.00 H new ATOM 0 HA TRP A 113 0.401 7.446 -5.820 1.00 0.00 H new ATOM 0 HB2 TRP A 113 3.221 8.456 -5.227 1.00 0.00 H new ATOM 0 HB3 TRP A 113 1.988 8.268 -3.996 1.00 0.00 H new ATOM 0 HD1 TRP A 113 1.808 5.335 -6.295 1.00 0.00 H new ATOM 0 HE1 TRP A 113 3.040 3.307 -5.257 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.200 7.790 -2.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 4.800 2.871 -3.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.647 6.512 -0.997 1.00 0.00 H new ATOM 0 HH2 TRP A 113 5.942 4.084 -1.274 1.00 0.00 H new ATOM 1755 N ASN A 114 0.184 9.858 -4.841 1.00 0.00 N ATOM 1756 CA ASN A 114 -0.168 11.218 -4.521 1.00 0.00 C ATOM 1757 C ASN A 114 -0.068 11.378 -3.012 1.00 0.00 C ATOM 1758 O ASN A 114 -0.751 10.686 -2.258 1.00 0.00 O ATOM 1759 CB ASN A 114 -1.583 11.546 -5.001 1.00 0.00 C ATOM 1760 CG ASN A 114 -2.039 10.638 -6.127 1.00 0.00 C ATOM 1761 OD1 ASN A 114 -2.771 9.674 -5.905 1.00 0.00 O ATOM 1762 ND2 ASN A 114 -1.605 10.942 -7.345 1.00 0.00 N ATOM 0 H ASN A 114 -0.183 9.167 -4.187 1.00 0.00 H new ATOM 0 HA ASN A 114 0.510 11.907 -5.025 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -2.276 11.459 -4.165 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -1.618 12.582 -5.337 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -1.877 10.367 -8.142 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -0.999 11.751 -7.483 1.00 0.00 H new ATOM 1769 N ASP A 115 0.792 12.282 -2.579 1.00 0.00 N ATOM 1770 CA ASP A 115 0.994 12.525 -1.162 1.00 0.00 C ATOM 1771 C ASP A 115 0.157 13.715 -0.702 1.00 0.00 C ATOM 1772 O ASP A 115 0.437 14.857 -1.065 1.00 0.00 O ATOM 1773 CB ASP A 115 2.481 12.772 -0.888 1.00 0.00 C ATOM 1774 CG ASP A 115 2.860 12.497 0.554 1.00 0.00 C ATOM 1775 OD1 ASP A 115 2.083 12.875 1.455 1.00 0.00 O ATOM 1776 OD2 ASP A 115 3.936 11.905 0.782 1.00 0.00 O ATOM 0 H ASP A 115 1.364 12.863 -3.192 1.00 0.00 H new ATOM 0 HA ASP A 115 0.673 11.648 -0.600 1.00 0.00 H new ATOM 0 HB2 ASP A 115 3.078 12.139 -1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.725 13.805 -1.134 1.00 0.00 H new ATOM 1781 N ALA A 116 -0.880 13.440 0.087 1.00 0.00 N ATOM 1782 CA ALA A 116 -1.760 14.488 0.577 1.00 0.00 C ATOM 1783 C ALA A 116 -2.467 14.053 1.851 1.00 0.00 C ATOM 1784 O ALA A 116 -2.523 12.865 2.157 1.00 0.00 O ATOM 1785 CB ALA A 116 -2.776 14.862 -0.491 1.00 0.00 C ATOM 0 H ALA A 116 -1.127 12.501 0.398 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.153 15.363 0.809 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.430 15.648 -0.112 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.255 15.220 -1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.373 13.987 -0.748 1.00 0.00 H new ATOM 1791 N PHE A 117 -3.001 15.023 2.590 1.00 0.00 N ATOM 1792 CA PHE A 117 -3.710 14.745 3.834 1.00 0.00 C ATOM 1793 C PHE A 117 -4.446 13.412 3.754 1.00 0.00 C ATOM 1794 O PHE A 117 -3.984 12.410 4.295 1.00 0.00 O ATOM 1795 CB PHE A 117 -4.695 15.874 4.144 1.00 0.00 C ATOM 1796 CG PHE A 117 -4.129 17.248 3.916 1.00 0.00 C ATOM 1797 CD1 PHE A 117 -3.318 17.843 4.869 1.00 0.00 C ATOM 1798 CD2 PHE A 117 -4.409 17.941 2.750 1.00 0.00 C ATOM 1799 CE1 PHE A 117 -2.796 19.106 4.663 1.00 0.00 C ATOM 1800 CE2 PHE A 117 -3.889 19.205 2.538 1.00 0.00 C ATOM 1801 CZ PHE A 117 -3.083 19.788 3.496 1.00 0.00 C ATOM 0 H PHE A 117 -2.955 16.012 2.346 1.00 0.00 H new ATOM 0 HA PHE A 117 -2.977 14.683 4.638 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -5.584 15.749 3.525 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -5.015 15.790 5.182 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -3.091 17.314 5.783 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -5.040 17.490 1.999 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -2.165 19.559 5.413 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -4.113 19.735 1.624 1.00 0.00 H new ATOM 0 HZ PHE A 117 -2.678 20.776 3.333 1.00 0.00 H new ATOM 1811 N CYS A 118 -5.580 13.409 3.054 1.00 0.00 N ATOM 1812 CA CYS A 118 -6.386 12.200 2.869 1.00 0.00 C ATOM 1813 C CYS A 118 -7.764 12.552 2.317 1.00 0.00 C ATOM 1814 O CYS A 118 -8.776 11.988 2.734 1.00 0.00 O ATOM 1815 CB CYS A 118 -6.535 11.425 4.184 1.00 0.00 C ATOM 1816 SG CYS A 118 -5.962 9.694 4.091 1.00 0.00 S ATOM 0 H CYS A 118 -5.965 14.238 2.601 1.00 0.00 H new ATOM 0 HA CYS A 118 -5.867 11.565 2.152 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -5.976 11.941 4.964 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -7.583 11.435 4.484 1.00 0.00 H new ATOM 1821 N ASP A 119 -7.794 13.490 1.376 1.00 0.00 N ATOM 1822 CA ASP A 119 -9.044 13.924 0.763 1.00 0.00 C ATOM 1823 C ASP A 119 -9.595 12.850 -0.171 1.00 0.00 C ATOM 1824 O ASP A 119 -10.702 12.350 0.029 1.00 0.00 O ATOM 1825 CB ASP A 119 -8.835 15.227 -0.009 1.00 0.00 C ATOM 1826 CG ASP A 119 -8.217 16.314 0.850 1.00 0.00 C ATOM 1827 OD1 ASP A 119 -7.037 16.168 1.233 1.00 0.00 O ATOM 1828 OD2 ASP A 119 -8.912 17.310 1.138 1.00 0.00 O ATOM 0 H ASP A 119 -6.964 13.965 1.021 1.00 0.00 H new ATOM 0 HA ASP A 119 -9.768 14.094 1.560 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -8.193 15.038 -0.869 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -9.793 15.574 -0.397 1.00 0.00 H new ATOM 1833 N ARG A 120 -8.816 12.504 -1.191 1.00 0.00 N ATOM 1834 CA ARG A 120 -9.225 11.492 -2.159 1.00 0.00 C ATOM 1835 C ARG A 120 -9.518 10.164 -1.468 1.00 0.00 C ATOM 1836 O ARG A 120 -8.918 9.841 -0.443 1.00 0.00 O ATOM 1837 CB ARG A 120 -8.137 11.301 -3.217 1.00 0.00 C ATOM 1838 CG ARG A 120 -8.637 10.638 -4.490 1.00 0.00 C ATOM 1839 CD ARG A 120 -9.476 11.593 -5.324 1.00 0.00 C ATOM 1840 NE ARG A 120 -10.643 10.934 -5.902 1.00 0.00 N ATOM 1841 CZ ARG A 120 -11.463 11.516 -6.772 1.00 0.00 C ATOM 1842 NH1 ARG A 120 -11.245 12.764 -7.163 1.00 0.00 N ATOM 1843 NH2 ARG A 120 -12.504 10.848 -7.253 1.00 0.00 N ATOM 0 H ARG A 120 -7.897 12.910 -1.369 1.00 0.00 H new ATOM 0 HA ARG A 120 -10.138 11.837 -2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -7.710 12.272 -3.467 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -7.333 10.698 -2.795 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.788 10.290 -5.078 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -9.230 9.759 -4.235 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -9.802 12.427 -4.702 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -8.863 12.011 -6.123 1.00 0.00 H new ATOM 0 HE ARG A 120 -10.841 9.973 -5.623 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -10.446 13.281 -6.796 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -11.876 13.207 -7.831 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -12.675 9.888 -6.955 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -13.133 11.295 -7.920 1.00 0.00 H new ATOM 1857 N LYS A 121 -10.445 9.399 -2.036 1.00 0.00 N ATOM 1858 CA LYS A 121 -10.820 8.106 -1.476 1.00 0.00 C ATOM 1859 C LYS A 121 -10.553 6.982 -2.471 1.00 0.00 C ATOM 1860 O LYS A 121 -10.989 7.040 -3.621 1.00 0.00 O ATOM 1861 CB LYS A 121 -12.297 8.109 -1.077 1.00 0.00 C ATOM 1862 CG LYS A 121 -12.560 8.744 0.279 1.00 0.00 C ATOM 1863 CD LYS A 121 -13.830 8.203 0.911 1.00 0.00 C ATOM 1864 CE LYS A 121 -13.523 7.146 1.961 1.00 0.00 C ATOM 1865 NZ LYS A 121 -14.747 6.414 2.387 1.00 0.00 N ATOM 0 H LYS A 121 -10.951 9.653 -2.885 1.00 0.00 H new ATOM 0 HA LYS A 121 -10.211 7.933 -0.589 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -12.869 8.643 -1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -12.664 7.083 -1.065 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -11.714 8.555 0.940 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -12.641 9.825 0.166 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -14.387 9.021 1.368 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -14.469 7.775 0.138 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -12.797 6.438 1.562 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -13.063 7.619 2.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -14.495 5.703 3.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -15.430 7.086 2.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -15.173 5.941 1.564 1.00 0.00 H new ATOM 1879 N LEU A 122 -9.833 5.959 -2.020 1.00 0.00 N ATOM 1880 CA LEU A 122 -9.506 4.819 -2.869 1.00 0.00 C ATOM 1881 C LEU A 122 -10.573 3.736 -2.755 1.00 0.00 C ATOM 1882 O LEU A 122 -11.716 4.017 -2.394 1.00 0.00 O ATOM 1883 CB LEU A 122 -8.137 4.253 -2.489 1.00 0.00 C ATOM 1884 CG LEU A 122 -6.992 5.263 -2.528 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -6.863 5.974 -1.191 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -5.687 4.577 -2.896 1.00 0.00 C ATOM 0 H LEU A 122 -9.465 5.897 -1.071 1.00 0.00 H new ATOM 0 HA LEU A 122 -9.473 5.161 -3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.199 3.834 -1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -7.900 3.430 -3.163 1.00 0.00 H new ATOM 0 HG LEU A 122 -7.216 6.007 -3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.042 6.690 -1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -7.791 6.500 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -6.663 5.243 -0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -4.883 5.313 -2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.457 3.811 -2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.783 4.115 -3.878 1.00 0.00 H new ATOM 1898 N GLY A 123 -10.197 2.498 -3.065 1.00 0.00 N ATOM 1899 CA GLY A 123 -11.143 1.403 -2.989 1.00 0.00 C ATOM 1900 C GLY A 123 -10.475 0.045 -2.884 1.00 0.00 C ATOM 1901 O GLY A 123 -11.101 -0.978 -3.159 1.00 0.00 O ATOM 0 H GLY A 123 -9.258 2.236 -3.366 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -11.791 1.550 -2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.781 1.420 -3.873 1.00 0.00 H new ATOM 1905 N ALA A 124 -9.206 0.026 -2.483 1.00 0.00 N ATOM 1906 CA ALA A 124 -8.479 -1.229 -2.346 1.00 0.00 C ATOM 1907 C ALA A 124 -7.479 -1.168 -1.204 1.00 0.00 C ATOM 1908 O ALA A 124 -6.729 -0.202 -1.074 1.00 0.00 O ATOM 1909 CB ALA A 124 -7.779 -1.586 -3.648 1.00 0.00 C ATOM 0 H ALA A 124 -8.665 0.859 -2.250 1.00 0.00 H new ATOM 0 HA ALA A 124 -9.204 -2.009 -2.114 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.241 -2.526 -3.526 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -8.519 -1.691 -4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -7.075 -0.797 -3.911 1.00 0.00 H new ATOM 1915 N TRP A 125 -7.465 -2.214 -0.383 1.00 0.00 N ATOM 1916 CA TRP A 125 -6.544 -2.279 0.742 1.00 0.00 C ATOM 1917 C TRP A 125 -5.432 -3.275 0.453 1.00 0.00 C ATOM 1918 O TRP A 125 -5.676 -4.466 0.266 1.00 0.00 O ATOM 1919 CB TRP A 125 -7.276 -2.635 2.045 1.00 0.00 C ATOM 1920 CG TRP A 125 -8.105 -3.885 1.981 1.00 0.00 C ATOM 1921 CD1 TRP A 125 -9.085 -4.183 1.077 1.00 0.00 C ATOM 1922 CD2 TRP A 125 -8.037 -4.999 2.878 1.00 0.00 C ATOM 1923 NE1 TRP A 125 -9.621 -5.417 1.351 1.00 0.00 N ATOM 1924 CE2 TRP A 125 -8.995 -5.938 2.453 1.00 0.00 C ATOM 1925 CE3 TRP A 125 -7.254 -5.296 3.997 1.00 0.00 C ATOM 1926 CZ2 TRP A 125 -9.193 -7.151 3.109 1.00 0.00 C ATOM 1927 CZ3 TRP A 125 -7.452 -6.500 4.648 1.00 0.00 C ATOM 1928 CH2 TRP A 125 -8.414 -7.414 4.202 1.00 0.00 C ATOM 0 H TRP A 125 -8.079 -3.023 -0.477 1.00 0.00 H new ATOM 0 HA TRP A 125 -6.101 -1.292 0.877 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -6.539 -2.745 2.841 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -7.922 -1.802 2.322 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -9.393 -3.541 0.265 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -10.364 -5.872 0.821 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -6.508 -4.598 4.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -9.935 -7.858 2.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -6.854 -6.739 5.515 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -8.544 -8.346 4.732 1.00 0.00 H new ATOM 1939 N VAL A 126 -4.209 -2.765 0.394 1.00 0.00 N ATOM 1940 CA VAL A 126 -3.049 -3.583 0.100 1.00 0.00 C ATOM 1941 C VAL A 126 -2.129 -3.686 1.319 1.00 0.00 C ATOM 1942 O VAL A 126 -1.928 -2.714 2.049 1.00 0.00 O ATOM 1943 CB VAL A 126 -2.279 -2.996 -1.101 1.00 0.00 C ATOM 1944 CG1 VAL A 126 -0.842 -3.448 -1.105 1.00 0.00 C ATOM 1945 CG2 VAL A 126 -2.943 -3.382 -2.408 1.00 0.00 C ATOM 0 H VAL A 126 -3.998 -1.779 0.548 1.00 0.00 H new ATOM 0 HA VAL A 126 -3.392 -4.586 -0.152 1.00 0.00 H new ATOM 0 HB VAL A 126 -2.298 -1.911 -1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -0.327 -3.017 -1.964 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -0.355 -3.119 -0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -0.803 -4.536 -1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -2.382 -2.957 -3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.961 -4.468 -2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.963 -2.999 -2.425 1.00 0.00 H new ATOM 1955 N CYS A 127 -1.593 -4.882 1.535 1.00 0.00 N ATOM 1956 CA CYS A 127 -0.707 -5.161 2.664 1.00 0.00 C ATOM 1957 C CYS A 127 0.453 -6.042 2.229 1.00 0.00 C ATOM 1958 O CYS A 127 0.416 -6.634 1.157 1.00 0.00 O ATOM 1959 CB CYS A 127 -1.472 -5.844 3.799 1.00 0.00 C ATOM 1960 SG CYS A 127 -3.191 -5.279 3.988 1.00 0.00 S ATOM 0 H CYS A 127 -1.760 -5.688 0.933 1.00 0.00 H new ATOM 0 HA CYS A 127 -0.316 -4.209 3.024 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -1.472 -6.920 3.625 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -0.940 -5.672 4.735 1.00 0.00 H new ATOM 1965 N ASP A 128 1.484 -6.127 3.058 1.00 0.00 N ATOM 1966 CA ASP A 128 2.633 -6.949 2.742 1.00 0.00 C ATOM 1967 C ASP A 128 2.929 -7.913 3.882 1.00 0.00 C ATOM 1968 O ASP A 128 2.782 -7.577 5.055 1.00 0.00 O ATOM 1969 CB ASP A 128 3.855 -6.075 2.468 1.00 0.00 C ATOM 1970 CG ASP A 128 4.404 -5.434 3.728 1.00 0.00 C ATOM 1971 OD1 ASP A 128 3.836 -4.413 4.171 1.00 0.00 O ATOM 1972 OD2 ASP A 128 5.402 -5.952 4.270 1.00 0.00 O ATOM 0 H ASP A 128 1.544 -5.637 3.950 1.00 0.00 H new ATOM 0 HA ASP A 128 2.404 -7.526 1.846 1.00 0.00 H new ATOM 0 HB2 ASP A 128 4.633 -6.680 2.003 1.00 0.00 H new ATOM 0 HB3 ASP A 128 3.588 -5.296 1.754 1.00 0.00 H new ATOM 1977 N ARG A 129 3.351 -9.112 3.518 1.00 0.00 N ATOM 1978 CA ARG A 129 3.679 -10.147 4.484 1.00 0.00 C ATOM 1979 C ARG A 129 4.618 -11.157 3.848 1.00 0.00 C ATOM 1980 O ARG A 129 4.842 -11.118 2.643 1.00 0.00 O ATOM 1981 CB ARG A 129 2.409 -10.844 4.977 1.00 0.00 C ATOM 1982 CG ARG A 129 2.583 -11.553 6.311 1.00 0.00 C ATOM 1983 CD ARG A 129 2.320 -13.045 6.186 1.00 0.00 C ATOM 1984 NE ARG A 129 3.142 -13.826 7.107 1.00 0.00 N ATOM 1985 CZ ARG A 129 2.853 -13.993 8.394 1.00 0.00 C ATOM 1986 NH1 ARG A 129 1.767 -13.434 8.911 1.00 0.00 N ATOM 1987 NH2 ARG A 129 3.650 -14.719 9.165 1.00 0.00 N ATOM 0 H ARG A 129 3.476 -9.395 2.546 1.00 0.00 H new ATOM 0 HA ARG A 129 4.171 -9.687 5.341 1.00 0.00 H new ATOM 0 HB2 ARG A 129 1.612 -10.106 5.068 1.00 0.00 H new ATOM 0 HB3 ARG A 129 2.088 -11.569 4.229 1.00 0.00 H new ATOM 0 HG2 ARG A 129 3.595 -11.390 6.682 1.00 0.00 H new ATOM 0 HG3 ARG A 129 1.902 -11.122 7.045 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.267 -13.245 6.382 1.00 0.00 H new ATOM 0 HD3 ARG A 129 2.520 -13.364 5.163 1.00 0.00 H new ATOM 0 HE ARG A 129 3.986 -14.268 6.742 1.00 0.00 H new ATOM 0 HH11 ARG A 129 1.151 -12.874 8.321 1.00 0.00 H new ATOM 0 HH12 ARG A 129 1.548 -13.564 9.899 1.00 0.00 H new ATOM 0 HH21 ARG A 129 4.486 -15.150 8.771 1.00 0.00 H new ATOM 0 HH22 ARG A 129 3.427 -14.846 10.152 1.00 0.00 H new ATOM 2001 N LEU A 130 5.154 -12.066 4.645 1.00 0.00 N ATOM 2002 CA LEU A 130 6.052 -13.079 4.118 1.00 0.00 C ATOM 2003 C LEU A 130 5.257 -14.221 3.491 1.00 0.00 C ATOM 2004 O LEU A 130 4.298 -14.718 4.082 1.00 0.00 O ATOM 2005 CB LEU A 130 6.976 -13.600 5.220 1.00 0.00 C ATOM 2006 CG LEU A 130 8.220 -12.741 5.498 1.00 0.00 C ATOM 2007 CD1 LEU A 130 9.479 -13.479 5.072 1.00 0.00 C ATOM 2008 CD2 LEU A 130 8.131 -11.390 4.792 1.00 0.00 C ATOM 0 H LEU A 130 4.985 -12.124 5.649 1.00 0.00 H new ATOM 0 HA LEU A 130 6.670 -12.627 3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.401 -13.686 6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.302 -14.605 4.953 1.00 0.00 H new ATOM 0 HG LEU A 130 8.266 -12.556 6.571 1.00 0.00 H new ATOM 0 HD11 LEU A 130 10.351 -12.858 5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.560 -14.412 5.630 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.430 -13.697 4.005 1.00 0.00 H new ATOM 0 HD21 LEU A 130 9.026 -10.807 5.009 1.00 0.00 H new ATOM 0 HD22 LEU A 130 8.051 -11.546 3.716 1.00 0.00 H new ATOM 0 HD23 LEU A 130 7.252 -10.851 5.146 1.00 0.00 H new ATOM 2020 N ALA A 131 5.655 -14.620 2.286 1.00 0.00 N ATOM 2021 CA ALA A 131 4.973 -15.690 1.567 1.00 0.00 C ATOM 2022 C ALA A 131 5.139 -17.032 2.268 1.00 0.00 C ATOM 2023 O ALA A 131 5.991 -17.839 1.897 1.00 0.00 O ATOM 2024 CB ALA A 131 5.487 -15.775 0.139 1.00 0.00 C ATOM 0 H ALA A 131 6.448 -14.217 1.787 1.00 0.00 H new ATOM 0 HA ALA A 131 3.909 -15.454 1.551 1.00 0.00 H new ATOM 0 HB1 ALA A 131 4.970 -16.578 -0.387 1.00 0.00 H new ATOM 0 HB2 ALA A 131 5.303 -14.829 -0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 131 6.558 -15.979 0.149 1.00 0.00 H new ATOM 2030 N THR A 132 4.314 -17.267 3.282 1.00 0.00 N ATOM 2031 CA THR A 132 4.361 -18.510 4.033 1.00 0.00 C ATOM 2032 C THR A 132 2.965 -19.102 4.198 1.00 0.00 C ATOM 2033 O THR A 132 2.720 -19.890 5.113 1.00 0.00 O ATOM 2034 CB THR A 132 5.001 -18.282 5.402 1.00 0.00 C ATOM 2035 OG1 THR A 132 4.245 -17.357 6.162 1.00 0.00 O ATOM 2036 CG2 THR A 132 6.420 -17.758 5.320 1.00 0.00 C ATOM 0 H THR A 132 3.603 -16.609 3.602 1.00 0.00 H new ATOM 0 HA THR A 132 4.970 -19.220 3.472 1.00 0.00 H new ATOM 0 HB THR A 132 5.019 -19.262 5.878 1.00 0.00 H new ATOM 0 HG1 THR A 132 4.670 -17.226 7.035 1.00 0.00 H new ATOM 0 HG21 THR A 132 6.815 -17.618 6.326 1.00 0.00 H new ATOM 0 HG22 THR A 132 7.042 -18.474 4.782 1.00 0.00 H new ATOM 0 HG23 THR A 132 6.426 -16.804 4.792 1.00 0.00 H new ATOM 2044 N CYS A 133 2.054 -18.715 3.309 1.00 0.00 N ATOM 2045 CA CYS A 133 0.679 -19.204 3.353 1.00 0.00 C ATOM 2046 C CYS A 133 0.013 -18.846 4.678 1.00 0.00 C ATOM 2047 O CYS A 133 0.587 -18.131 5.501 1.00 0.00 O ATOM 2048 CB CYS A 133 0.644 -20.719 3.142 1.00 0.00 C ATOM 2049 SG CYS A 133 0.968 -21.238 1.424 1.00 0.00 S ATOM 0 H CYS A 133 2.244 -18.063 2.548 1.00 0.00 H new ATOM 0 HA CYS A 133 0.125 -18.721 2.548 1.00 0.00 H new ATOM 0 HB2 CYS A 133 1.382 -21.183 3.796 1.00 0.00 H new ATOM 0 HB3 CYS A 133 -0.333 -21.095 3.446 1.00 0.00 H new ATOM 2054 N THR A 134 -1.202 -19.347 4.879 1.00 0.00 N ATOM 2055 CA THR A 134 -1.947 -19.081 6.103 1.00 0.00 C ATOM 2056 C THR A 134 -2.811 -20.281 6.488 1.00 0.00 C ATOM 2057 O THR A 134 -3.967 -20.381 6.076 1.00 0.00 O ATOM 2058 CB THR A 134 -2.825 -17.840 5.932 1.00 0.00 C ATOM 2059 OG1 THR A 134 -2.492 -17.151 4.740 1.00 0.00 O ATOM 2060 CG2 THR A 134 -2.706 -16.859 7.078 1.00 0.00 C ATOM 0 H THR A 134 -1.691 -19.940 4.209 1.00 0.00 H new ATOM 0 HA THR A 134 -1.229 -18.902 6.903 1.00 0.00 H new ATOM 0 HB THR A 134 -3.849 -18.213 5.900 1.00 0.00 H new ATOM 0 HG1 THR A 134 -3.065 -16.361 4.648 1.00 0.00 H new ATOM 0 HG21 THR A 134 -3.354 -16.003 6.893 1.00 0.00 H new ATOM 0 HG22 THR A 134 -3.004 -17.346 8.006 1.00 0.00 H new ATOM 0 HG23 THR A 134 -1.673 -16.521 7.162 1.00 0.00 H new ATOM 2068 N PRO A 135 -2.258 -21.210 7.289 1.00 0.00 N ATOM 2069 CA PRO A 135 -2.984 -22.406 7.727 1.00 0.00 C ATOM 2070 C PRO A 135 -4.094 -22.078 8.724 1.00 0.00 C ATOM 2071 O PRO A 135 -3.824 -21.643 9.844 1.00 0.00 O ATOM 2072 CB PRO A 135 -1.902 -23.256 8.395 1.00 0.00 C ATOM 2073 CG PRO A 135 -0.876 -22.275 8.846 1.00 0.00 C ATOM 2074 CD PRO A 135 -0.885 -21.169 7.827 1.00 0.00 C ATOM 0 HA PRO A 135 -3.484 -22.905 6.897 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -2.305 -23.822 9.235 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -1.479 -23.979 7.697 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -1.112 -21.893 9.839 1.00 0.00 H new ATOM 0 HG3 PRO A 135 0.108 -22.740 8.909 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -0.660 -20.204 8.280 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -0.143 -21.336 7.047 1.00 0.00 H new ATOM 2082 N PRO A 136 -5.365 -22.280 8.329 1.00 0.00 N ATOM 2083 CA PRO A 136 -6.516 -22.002 9.195 1.00 0.00 C ATOM 2084 C PRO A 136 -6.425 -22.734 10.530 1.00 0.00 C ATOM 2085 O PRO A 136 -6.608 -23.950 10.595 1.00 0.00 O ATOM 2086 CB PRO A 136 -7.711 -22.515 8.385 1.00 0.00 C ATOM 2087 CG PRO A 136 -7.250 -22.491 6.969 1.00 0.00 C ATOM 2088 CD PRO A 136 -5.779 -22.794 7.009 1.00 0.00 C ATOM 0 HA PRO A 136 -6.584 -20.945 9.452 1.00 0.00 H new ATOM 0 HB2 PRO A 136 -7.994 -23.522 8.692 1.00 0.00 H new ATOM 0 HB3 PRO A 136 -8.586 -21.881 8.527 1.00 0.00 H new ATOM 0 HG2 PRO A 136 -7.785 -23.230 6.372 1.00 0.00 H new ATOM 0 HG3 PRO A 136 -7.436 -21.518 6.514 1.00 0.00 H new ATOM 0 HD2 PRO A 136 -5.585 -23.862 6.914 1.00 0.00 H new ATOM 0 HD3 PRO A 136 -5.244 -22.300 6.198 1.00 0.00 H new ATOM 2096 N ALA A 137 -6.140 -21.986 11.591 1.00 0.00 N ATOM 2097 CA ALA A 137 -6.024 -22.564 12.925 1.00 0.00 C ATOM 2098 C ALA A 137 -7.378 -23.049 13.432 1.00 0.00 C ATOM 2099 O ALA A 137 -8.172 -22.266 13.956 1.00 0.00 O ATOM 2100 CB ALA A 137 -5.428 -21.550 13.889 1.00 0.00 C ATOM 0 H ALA A 137 -5.985 -20.979 11.553 1.00 0.00 H new ATOM 0 HA ALA A 137 -5.359 -23.425 12.865 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -5.347 -21.995 14.881 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -4.438 -21.256 13.541 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -6.071 -20.671 13.937 1.00 0.00 H new ATOM 2106 N SER A 138 -7.635 -24.343 13.273 1.00 0.00 N ATOM 2107 CA SER A 138 -8.893 -24.933 13.714 1.00 0.00 C ATOM 2108 C SER A 138 -8.859 -25.233 15.209 1.00 0.00 C ATOM 2109 O SER A 138 -7.802 -25.173 15.839 1.00 0.00 O ATOM 2110 CB SER A 138 -9.183 -26.215 12.931 1.00 0.00 C ATOM 2111 OG SER A 138 -8.417 -27.299 13.427 1.00 0.00 O ATOM 0 H SER A 138 -6.988 -25.003 12.842 1.00 0.00 H new ATOM 0 HA SER A 138 -9.689 -24.213 13.524 1.00 0.00 H new ATOM 0 HB2 SER A 138 -10.244 -26.454 12.999 1.00 0.00 H new ATOM 0 HB3 SER A 138 -8.958 -26.059 11.876 1.00 0.00 H new ATOM 0 HG SER A 138 -8.621 -28.107 12.911 1.00 0.00 H new ATOM 2117 N GLU A 139 -10.021 -25.557 15.769 1.00 0.00 N ATOM 2118 CA GLU A 139 -10.129 -25.868 17.190 1.00 0.00 C ATOM 2119 C GLU A 139 -9.573 -24.731 18.043 1.00 0.00 C ATOM 2120 O GLU A 139 -8.607 -24.911 18.785 1.00 0.00 O ATOM 2121 CB GLU A 139 -9.391 -27.171 17.508 1.00 0.00 C ATOM 2122 CG GLU A 139 -9.936 -27.896 18.728 1.00 0.00 C ATOM 2123 CD GLU A 139 -10.807 -29.082 18.359 1.00 0.00 C ATOM 2124 OE1 GLU A 139 -10.292 -30.017 17.710 1.00 0.00 O ATOM 2125 OE2 GLU A 139 -12.001 -29.076 18.721 1.00 0.00 O ATOM 0 H GLU A 139 -10.903 -25.611 15.259 1.00 0.00 H new ATOM 0 HA GLU A 139 -11.186 -25.991 17.428 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -9.452 -27.833 16.645 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.335 -26.951 17.667 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -9.105 -28.238 19.345 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -10.515 -27.198 19.332 1.00 0.00 H new ATOM 2132 N GLY A 140 -10.190 -23.558 17.929 1.00 0.00 N ATOM 2133 CA GLY A 140 -9.745 -22.408 18.692 1.00 0.00 C ATOM 2134 C GLY A 140 -10.051 -22.541 20.170 1.00 0.00 C ATOM 2135 O GLY A 140 -11.214 -22.545 20.572 1.00 0.00 O ATOM 0 H GLY A 140 -10.991 -23.385 17.321 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -8.671 -22.279 18.556 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -10.225 -21.510 18.304 1.00 0.00 H new ATOM 2139 N SER A 141 -9.004 -22.648 20.983 1.00 0.00 N ATOM 2140 CA SER A 141 -9.165 -22.782 22.426 1.00 0.00 C ATOM 2141 C SER A 141 -9.621 -21.465 23.046 1.00 0.00 C ATOM 2142 O SER A 141 -9.225 -20.388 22.600 1.00 0.00 O ATOM 2143 CB SER A 141 -7.852 -23.233 23.068 1.00 0.00 C ATOM 2144 OG SER A 141 -6.817 -22.295 22.826 1.00 0.00 O ATOM 0 H SER A 141 -8.035 -22.644 20.666 1.00 0.00 H new ATOM 0 HA SER A 141 -9.930 -23.536 22.613 1.00 0.00 H new ATOM 0 HB2 SER A 141 -7.992 -23.356 24.142 1.00 0.00 H new ATOM 0 HB3 SER A 141 -7.565 -24.207 22.671 1.00 0.00 H new ATOM 0 HG SER A 141 -5.989 -22.606 23.248 1.00 0.00 H new ATOM 2150 N ALA A 142 -10.457 -21.560 24.075 1.00 0.00 N ATOM 2151 CA ALA A 142 -10.968 -20.377 24.755 1.00 0.00 C ATOM 2152 C ALA A 142 -10.038 -19.949 25.886 1.00 0.00 C ATOM 2153 O ALA A 142 -10.259 -20.290 27.048 1.00 0.00 O ATOM 2154 CB ALA A 142 -12.369 -20.640 25.291 1.00 0.00 C ATOM 0 H ALA A 142 -10.794 -22.444 24.456 1.00 0.00 H new ATOM 0 HA ALA A 142 -11.015 -19.564 24.031 1.00 0.00 H new ATOM 0 HB1 ALA A 142 -12.739 -19.748 25.797 1.00 0.00 H new ATOM 0 HB2 ALA A 142 -13.034 -20.890 24.464 1.00 0.00 H new ATOM 0 HB3 ALA A 142 -12.339 -21.471 25.996 1.00 0.00 H new ATOM 2160 N GLU A 143 -8.996 -19.201 25.536 1.00 0.00 N ATOM 2161 CA GLU A 143 -8.030 -18.726 26.521 1.00 0.00 C ATOM 2162 C GLU A 143 -7.437 -17.387 26.097 1.00 0.00 C ATOM 2163 O GLU A 143 -6.751 -17.347 25.054 1.00 0.00 O ATOM 2164 CB GLU A 143 -6.914 -19.756 26.709 1.00 0.00 C ATOM 2165 CG GLU A 143 -6.140 -19.583 28.006 1.00 0.00 C ATOM 2166 CD GLU A 143 -6.307 -20.761 28.945 1.00 0.00 C ATOM 2167 OE1 GLU A 143 -5.675 -21.811 28.701 1.00 0.00 O ATOM 2168 OE2 GLU A 143 -7.070 -20.635 29.926 1.00 0.00 O ATOM 2169 OXT GLU A 143 -7.660 -16.389 26.814 1.00 0.00 O ATOM 0 H GLU A 143 -8.799 -18.911 24.578 1.00 0.00 H new ATOM 0 HA GLU A 143 -8.551 -18.589 27.469 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -7.346 -20.756 26.684 1.00 0.00 H new ATOM 0 HB3 GLU A 143 -6.222 -19.687 25.870 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -5.082 -19.451 27.779 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -6.474 -18.674 28.506 1.00 0.00 H new TER 2176 GLU A 143