USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 662 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 48 CYS SG : rot -75:sc= 1.09 USER MOD Set 1.2: A 54 SER OG : rot -165:sc= 1.53 USER MOD Set 1.3: A 71 ASN : amide:sc= -0.036 K(o=2.6,f=-0.19!) USER MOD Set 2.1: A 43 THR OG1 : rot -58:sc= 1.18 USER MOD Set 2.2: A 68 HIS : no HD1:sc= 0.966 K(o=2.1,f=-3.4!) USER MOD Set 3.1: A 40 LYS NZ :NH3+ 171:sc= 1.41 (180deg=0.794) USER MOD Set 3.2: A 66 TYR OH : rot 171:sc= 1.72 USER MOD Set 4.1: A 12 GLN : amide:sc= 0.666 K(o=3.7,f=-7.9) USER MOD Set 4.2: A 49 ASN : amide:sc= 1.9 K(o=3.7,f=-7.4!) USER MOD Set 4.3: A 76 LYS NZ :NH3+ 158:sc= 1.13 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.234 X(o=-0.23,f=0) USER MOD Single : A 13 TYR OH : rot 3:sc= 1.23 USER MOD Single : A 14 GLN : amide:sc= 1.13 K(o=1.1,f=-0.033) USER MOD Single : A 15 GLN : amide:sc= -0.0396 X(o=-0.04,f=-0.04) USER MOD Single : A 17 HIS : no HE2:sc= 0.917 K(o=0.92,f=-2.8!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 1.06 K(o=1.1,f=-1.5) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00321 USER MOD Single : A 41 ASN : amide:sc= -0.398 X(o=-0.4,f=-0.4) USER MOD Single : A 45 LYS NZ :NH3+ -159:sc= 1.25 (180deg=1.19) USER MOD Single : A 47 TYR OH : rot 1:sc= 0.29 USER MOD Single : A 53 GLN : amide:sc= 0.705 K(o=0.71,f=-0.0011) USER MOD Single : A 56 GLN : amide:sc= -0.404 X(o=-0.4,f=-0.19) USER MOD Single : A 58 LYS NZ :NH3+ -179:sc= 1.02 (180deg=1.02) USER MOD Single : A 62 SER OG : rot 94:sc= 1.24 USER MOD Single : A 64 MET CE :methyl 173:sc= -0.002 (180deg=-0.0561) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00329 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 150:sc= 2.15 (180deg=1.28) USER MOD Single : A 84 LYS NZ :NH3+ -168:sc= 1.26 (180deg=1.24) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.076 -0.121 0.719 1.00 0.00 N ATOM 2 CA ALA A 1 0.176 -0.232 -0.755 1.00 0.00 C ATOM 3 C ALA A 1 1.061 -1.429 -1.136 1.00 0.00 C ATOM 4 O ALA A 1 2.187 -1.255 -1.611 1.00 0.00 O ATOM 5 CB ALA A 1 0.676 1.090 -1.372 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.524 0.691 0.966 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.343 -0.991 1.105 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.025 0.015 1.122 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.816 -0.414 -1.168 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.741 0.984 -2.455 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.020 1.892 -1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.661 1.329 -0.971 1.00 0.00 H new ATOM 13 N GLU A 2 0.581 -2.659 -0.934 1.00 0.00 N ATOM 14 CA GLU A 2 1.301 -3.891 -1.237 1.00 0.00 C ATOM 15 C GLU A 2 0.275 -5.024 -1.371 1.00 0.00 C ATOM 16 O GLU A 2 -0.700 -5.051 -0.612 1.00 0.00 O ATOM 17 CB GLU A 2 2.260 -4.167 -0.061 1.00 0.00 C ATOM 18 CG GLU A 2 3.079 -5.458 -0.168 1.00 0.00 C ATOM 19 CD GLU A 2 3.944 -5.643 1.092 1.00 0.00 C ATOM 20 OE1 GLU A 2 5.041 -5.045 1.172 1.00 0.00 O ATOM 21 OE2 GLU A 2 3.539 -6.396 2.005 1.00 0.00 O ATOM 0 H GLU A 2 -0.346 -2.826 -0.544 1.00 0.00 H new ATOM 0 HA GLU A 2 1.869 -3.815 -2.164 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.948 -3.327 0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.678 -4.202 0.860 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.412 -6.312 -0.289 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.715 -5.422 -1.053 1.00 0.00 H new ATOM 28 N HIS A 3 0.527 -5.984 -2.266 1.00 0.00 N ATOM 29 CA HIS A 3 -0.201 -7.243 -2.371 1.00 0.00 C ATOM 30 C HIS A 3 0.771 -8.313 -2.855 1.00 0.00 C ATOM 31 O HIS A 3 1.567 -8.065 -3.763 1.00 0.00 O ATOM 32 CB HIS A 3 -1.345 -7.170 -3.396 1.00 0.00 C ATOM 33 CG HIS A 3 -2.474 -6.230 -3.057 1.00 0.00 C ATOM 34 ND1 HIS A 3 -3.424 -6.402 -2.073 1.00 0.00 N ATOM 35 CD2 HIS A 3 -2.795 -5.084 -3.732 1.00 0.00 C ATOM 36 CE1 HIS A 3 -4.287 -5.375 -2.148 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.951 -4.542 -3.151 1.00 0.00 N ATOM 0 H HIS A 3 1.270 -5.899 -2.959 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.623 -7.468 -1.391 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.927 -6.873 -4.358 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.757 -8.171 -3.523 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.252 -4.668 -4.568 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -5.135 -5.237 -1.493 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.438 -3.691 -3.431 1.00 0.00 H new ATOM 45 N TRP A 4 0.676 -9.517 -2.292 1.00 0.00 N ATOM 46 CA TRP A 4 1.356 -10.681 -2.835 1.00 0.00 C ATOM 47 C TRP A 4 0.425 -11.265 -3.897 1.00 0.00 C ATOM 48 O TRP A 4 -0.712 -11.625 -3.573 1.00 0.00 O ATOM 49 CB TRP A 4 1.622 -11.705 -1.725 1.00 0.00 C ATOM 50 CG TRP A 4 2.649 -11.337 -0.696 1.00 0.00 C ATOM 51 CD1 TRP A 4 2.429 -10.572 0.396 1.00 0.00 C ATOM 52 CD2 TRP A 4 4.055 -11.737 -0.619 1.00 0.00 C ATOM 53 NE1 TRP A 4 3.588 -10.465 1.137 1.00 0.00 N ATOM 54 CE2 TRP A 4 4.624 -11.170 0.564 1.00 0.00 C ATOM 55 CE3 TRP A 4 4.911 -12.518 -1.427 1.00 0.00 C ATOM 56 CZ2 TRP A 4 5.968 -11.361 0.919 1.00 0.00 C ATOM 57 CZ3 TRP A 4 6.258 -12.725 -1.072 1.00 0.00 C ATOM 58 CH2 TRP A 4 6.788 -12.150 0.096 1.00 0.00 C ATOM 0 H TRP A 4 0.128 -9.707 -1.453 1.00 0.00 H new ATOM 0 HA TRP A 4 2.322 -10.415 -3.265 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.681 -11.900 -1.211 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.930 -12.640 -2.193 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.486 -10.112 0.651 1.00 0.00 H new ATOM 0 HE1 TRP A 4 3.668 -9.930 2.002 1.00 0.00 H new ATOM 0 HE3 TRP A 4 4.526 -12.964 -2.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.367 -10.907 1.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.890 -13.332 -1.704 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.822 -12.314 0.360 1.00 0.00 H new ATOM 69 N ILE A 5 0.888 -11.360 -5.144 1.00 0.00 N ATOM 70 CA ILE A 5 0.101 -11.814 -6.282 1.00 0.00 C ATOM 71 C ILE A 5 0.848 -13.009 -6.873 1.00 0.00 C ATOM 72 O ILE A 5 1.885 -12.875 -7.525 1.00 0.00 O ATOM 73 CB ILE A 5 -0.139 -10.669 -7.296 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.861 -9.438 -6.692 1.00 0.00 C ATOM 75 CG2 ILE A 5 -0.928 -11.182 -8.515 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.252 -9.675 -6.101 1.00 0.00 C ATOM 0 H ILE A 5 1.847 -11.116 -5.393 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.901 -12.123 -5.984 1.00 0.00 H new ATOM 0 HB ILE A 5 0.852 -10.334 -7.601 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.226 -9.022 -5.910 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.947 -8.679 -7.470 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.087 -10.363 -9.216 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.364 -11.976 -9.005 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.892 -11.571 -8.187 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.647 -8.736 -5.712 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.917 -10.055 -6.877 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.185 -10.403 -5.292 1.00 0.00 H new ATOM 88 N ASP A 6 0.323 -14.194 -6.596 1.00 0.00 N ATOM 89 CA ASP A 6 0.783 -15.447 -7.160 1.00 0.00 C ATOM 90 C ASP A 6 0.365 -15.500 -8.630 1.00 0.00 C ATOM 91 O ASP A 6 -0.832 -15.565 -8.923 1.00 0.00 O ATOM 92 CB ASP A 6 0.140 -16.587 -6.369 1.00 0.00 C ATOM 93 CG ASP A 6 0.607 -17.960 -6.824 1.00 0.00 C ATOM 94 OD1 ASP A 6 1.763 -18.124 -7.258 1.00 0.00 O ATOM 95 OD2 ASP A 6 -0.188 -18.916 -6.691 1.00 0.00 O ATOM 0 H ASP A 6 -0.459 -14.309 -5.952 1.00 0.00 H new ATOM 0 HA ASP A 6 1.868 -15.538 -7.101 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.370 -16.463 -5.311 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.944 -16.526 -6.469 1.00 0.00 H new ATOM 100 N VAL A 7 1.330 -15.445 -9.551 1.00 0.00 N ATOM 101 CA VAL A 7 1.092 -15.496 -10.999 1.00 0.00 C ATOM 102 C VAL A 7 1.315 -16.905 -11.564 1.00 0.00 C ATOM 103 O VAL A 7 1.221 -17.127 -12.775 1.00 0.00 O ATOM 104 CB VAL A 7 1.897 -14.406 -11.738 1.00 0.00 C ATOM 105 CG1 VAL A 7 1.485 -12.999 -11.284 1.00 0.00 C ATOM 106 CG2 VAL A 7 3.416 -14.549 -11.575 1.00 0.00 C ATOM 0 H VAL A 7 2.317 -15.362 -9.309 1.00 0.00 H new ATOM 0 HA VAL A 7 0.040 -15.271 -11.176 1.00 0.00 H new ATOM 0 HB VAL A 7 1.658 -14.546 -12.792 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.072 -12.256 -11.824 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.426 -12.846 -11.491 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.665 -12.895 -10.214 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.917 -13.750 -12.121 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.676 -14.486 -10.518 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.735 -15.513 -11.970 1.00 0.00 H new ATOM 116 N ARG A 8 1.620 -17.860 -10.686 1.00 0.00 N ATOM 117 CA ARG A 8 1.673 -19.292 -10.952 1.00 0.00 C ATOM 118 C ARG A 8 0.285 -19.798 -11.348 1.00 0.00 C ATOM 119 O ARG A 8 -0.726 -19.152 -11.051 1.00 0.00 O ATOM 120 CB ARG A 8 2.066 -19.914 -9.612 1.00 0.00 C ATOM 121 CG ARG A 8 2.540 -21.365 -9.532 1.00 0.00 C ATOM 122 CD ARG A 8 2.984 -21.705 -8.092 1.00 0.00 C ATOM 123 NE ARG A 8 2.155 -21.058 -7.058 1.00 0.00 N ATOM 124 CZ ARG A 8 1.794 -21.551 -5.874 1.00 0.00 C ATOM 125 NH1 ARG A 8 2.244 -22.715 -5.416 1.00 0.00 N ATOM 126 NH2 ARG A 8 0.971 -20.845 -5.124 1.00 0.00 N ATOM 0 H ARG A 8 1.849 -17.640 -9.717 1.00 0.00 H new ATOM 0 HA ARG A 8 2.365 -19.539 -11.758 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.858 -19.295 -9.191 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.204 -19.822 -8.951 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.737 -22.035 -9.840 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.369 -21.523 -10.222 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.948 -22.786 -7.954 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.022 -21.401 -7.958 1.00 0.00 H new ATOM 0 HE ARG A 8 1.817 -20.120 -7.275 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.892 -23.268 -5.977 1.00 0.00 H new ATOM 0 HH12 ARG A 8 1.942 -23.055 -4.503 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.626 -19.944 -5.454 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.679 -21.200 -4.213 1.00 0.00 H new ATOM 140 N VAL A 9 0.226 -20.991 -11.939 1.00 0.00 N ATOM 141 CA VAL A 9 -1.044 -21.664 -12.181 1.00 0.00 C ATOM 142 C VAL A 9 -1.778 -21.923 -10.849 1.00 0.00 C ATOM 143 O VAL A 9 -1.134 -22.239 -9.842 1.00 0.00 O ATOM 144 CB VAL A 9 -0.838 -22.947 -13.018 1.00 0.00 C ATOM 145 CG1 VAL A 9 -0.363 -22.595 -14.435 1.00 0.00 C ATOM 146 CG2 VAL A 9 0.152 -23.945 -12.392 1.00 0.00 C ATOM 0 H VAL A 9 1.045 -21.509 -12.258 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.686 -21.013 -12.774 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.812 -23.435 -13.048 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.223 -23.511 -15.010 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.110 -21.970 -14.924 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.582 -22.054 -14.378 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.244 -24.819 -13.037 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.127 -23.470 -12.283 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.213 -24.253 -11.412 1.00 0.00 H new ATOM 156 N PRO A 10 -3.121 -21.833 -10.822 1.00 0.00 N ATOM 157 CA PRO A 10 -3.897 -21.928 -9.587 1.00 0.00 C ATOM 158 C PRO A 10 -3.914 -23.348 -9.011 1.00 0.00 C ATOM 159 O PRO A 10 -4.202 -23.538 -7.828 1.00 0.00 O ATOM 160 CB PRO A 10 -5.300 -21.452 -9.967 1.00 0.00 C ATOM 161 CG PRO A 10 -5.419 -21.824 -11.442 1.00 0.00 C ATOM 162 CD PRO A 10 -4.004 -21.569 -11.953 1.00 0.00 C ATOM 0 HA PRO A 10 -3.458 -21.321 -8.795 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.066 -21.943 -9.367 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.414 -20.379 -9.814 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.720 -22.863 -11.577 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.156 -21.209 -11.959 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.768 -22.221 -12.794 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.894 -20.543 -12.304 1.00 0.00 H new ATOM 170 N GLU A 11 -3.593 -24.361 -9.817 1.00 0.00 N ATOM 171 CA GLU A 11 -3.498 -25.745 -9.364 1.00 0.00 C ATOM 172 C GLU A 11 -2.403 -25.910 -8.305 1.00 0.00 C ATOM 173 O GLU A 11 -2.547 -26.751 -7.420 1.00 0.00 O ATOM 174 CB GLU A 11 -3.277 -26.679 -10.565 1.00 0.00 C ATOM 175 CG GLU A 11 -4.466 -26.692 -11.543 1.00 0.00 C ATOM 176 CD GLU A 11 -5.759 -27.241 -10.906 1.00 0.00 C ATOM 177 OE1 GLU A 11 -5.987 -28.472 -10.958 1.00 0.00 O ATOM 178 OE2 GLU A 11 -6.562 -26.449 -10.363 1.00 0.00 O ATOM 0 H GLU A 11 -3.391 -24.241 -10.809 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.439 -26.022 -8.889 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.378 -26.370 -11.098 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.100 -27.692 -10.203 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.646 -25.679 -11.903 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.209 -27.298 -12.412 1.00 0.00 H new ATOM 185 N GLN A 12 -1.346 -25.086 -8.336 1.00 0.00 N ATOM 186 CA GLN A 12 -0.295 -25.135 -7.324 1.00 0.00 C ATOM 187 C GLN A 12 -0.651 -24.256 -6.117 1.00 0.00 C ATOM 188 O GLN A 12 -0.259 -24.589 -5.000 1.00 0.00 O ATOM 189 CB GLN A 12 1.047 -24.734 -7.947 1.00 0.00 C ATOM 190 CG GLN A 12 1.545 -25.733 -9.007 1.00 0.00 C ATOM 191 CD GLN A 12 2.896 -25.332 -9.610 1.00 0.00 C ATOM 192 OE1 GLN A 12 3.797 -24.855 -8.923 1.00 0.00 O ATOM 193 NE2 GLN A 12 3.075 -25.504 -10.909 1.00 0.00 N ATOM 0 H GLN A 12 -1.201 -24.378 -9.055 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.205 -26.157 -6.955 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.949 -23.749 -8.403 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.795 -24.647 -7.159 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.632 -26.721 -8.556 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.805 -25.810 -9.803 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.327 -25.900 -11.479 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.961 -25.241 -11.341 1.00 0.00 H new ATOM 202 N TYR A 13 -1.440 -23.186 -6.292 1.00 0.00 N ATOM 203 CA TYR A 13 -1.984 -22.392 -5.179 1.00 0.00 C ATOM 204 C TYR A 13 -2.784 -23.264 -4.210 1.00 0.00 C ATOM 205 O TYR A 13 -2.690 -23.089 -2.994 1.00 0.00 O ATOM 206 CB TYR A 13 -2.832 -21.233 -5.729 1.00 0.00 C ATOM 207 CG TYR A 13 -3.396 -20.274 -4.692 1.00 0.00 C ATOM 208 CD1 TYR A 13 -2.654 -19.146 -4.290 1.00 0.00 C ATOM 209 CD2 TYR A 13 -4.694 -20.468 -4.179 1.00 0.00 C ATOM 210 CE1 TYR A 13 -3.208 -18.198 -3.412 1.00 0.00 C ATOM 211 CE2 TYR A 13 -5.250 -19.535 -3.284 1.00 0.00 C ATOM 212 CZ TYR A 13 -4.514 -18.388 -2.904 1.00 0.00 C ATOM 213 OH TYR A 13 -5.079 -17.467 -2.075 1.00 0.00 O ATOM 0 H TYR A 13 -1.720 -22.845 -7.212 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.153 -21.972 -4.612 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.222 -20.663 -6.430 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.662 -21.653 -6.297 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.649 -19.008 -4.660 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.265 -21.336 -4.474 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.638 -17.327 -3.126 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.241 -19.695 -2.886 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.469 -16.708 -1.965 1.00 0.00 H new ATOM 223 N GLN A 14 -3.522 -24.243 -4.739 1.00 0.00 N ATOM 224 CA GLN A 14 -4.275 -25.205 -3.939 1.00 0.00 C ATOM 225 C GLN A 14 -3.362 -26.155 -3.142 1.00 0.00 C ATOM 226 O GLN A 14 -3.841 -26.784 -2.197 1.00 0.00 O ATOM 227 CB GLN A 14 -5.221 -25.987 -4.866 1.00 0.00 C ATOM 228 CG GLN A 14 -6.359 -25.107 -5.415 1.00 0.00 C ATOM 229 CD GLN A 14 -6.968 -25.713 -6.681 1.00 0.00 C ATOM 230 OE1 GLN A 14 -7.778 -26.636 -6.633 1.00 0.00 O ATOM 231 NE2 GLN A 14 -6.568 -25.212 -7.837 1.00 0.00 N ATOM 0 H GLN A 14 -3.613 -24.389 -5.744 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.854 -24.657 -3.196 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.651 -26.401 -5.698 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.647 -26.829 -4.321 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.132 -24.993 -4.655 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.977 -24.110 -5.634 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.895 -24.446 -7.855 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.932 -25.592 -8.711 1.00 0.00 H new ATOM 240 N GLN A 15 -2.070 -26.263 -3.482 1.00 0.00 N ATOM 241 CA GLN A 15 -1.113 -27.099 -2.761 1.00 0.00 C ATOM 242 C GLN A 15 -0.372 -26.273 -1.710 1.00 0.00 C ATOM 243 O GLN A 15 -0.268 -26.705 -0.562 1.00 0.00 O ATOM 244 CB GLN A 15 -0.120 -27.763 -3.734 1.00 0.00 C ATOM 245 CG GLN A 15 -0.784 -28.663 -4.790 1.00 0.00 C ATOM 246 CD GLN A 15 -1.577 -29.818 -4.174 1.00 0.00 C ATOM 247 OE1 GLN A 15 -2.805 -29.813 -4.152 1.00 0.00 O ATOM 248 NE2 GLN A 15 -0.902 -30.830 -3.651 1.00 0.00 N ATOM 0 H GLN A 15 -1.661 -25.766 -4.273 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.664 -27.891 -2.253 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.450 -26.985 -4.242 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.592 -28.357 -3.161 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.450 -28.060 -5.407 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.017 -29.067 -5.450 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.118 -30.828 -3.672 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -1.402 -31.611 -3.227 1.00 0.00 H new ATOM 257 N GLU A 16 0.100 -25.079 -2.069 1.00 0.00 N ATOM 258 CA GLU A 16 0.756 -24.149 -1.156 1.00 0.00 C ATOM 259 C GLU A 16 0.653 -22.736 -1.723 1.00 0.00 C ATOM 260 O GLU A 16 0.751 -22.547 -2.938 1.00 0.00 O ATOM 261 CB GLU A 16 2.235 -24.544 -0.969 1.00 0.00 C ATOM 262 CG GLU A 16 2.970 -23.625 0.021 1.00 0.00 C ATOM 263 CD GLU A 16 4.408 -24.083 0.288 1.00 0.00 C ATOM 264 OE1 GLU A 16 4.593 -25.143 0.927 1.00 0.00 O ATOM 265 OE2 GLU A 16 5.354 -23.356 -0.094 1.00 0.00 O ATOM 0 H GLU A 16 0.034 -24.726 -3.024 1.00 0.00 H new ATOM 0 HA GLU A 16 0.265 -24.185 -0.183 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.291 -25.573 -0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.741 -24.512 -1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.983 -22.608 -0.372 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.420 -23.596 0.962 1.00 0.00 H new ATOM 272 N HIS A 17 0.526 -21.736 -0.852 1.00 0.00 N ATOM 273 CA HIS A 17 0.643 -20.328 -1.196 1.00 0.00 C ATOM 274 C HIS A 17 1.190 -19.547 0.000 1.00 0.00 C ATOM 275 O HIS A 17 1.196 -20.040 1.130 1.00 0.00 O ATOM 276 CB HIS A 17 -0.706 -19.785 -1.691 1.00 0.00 C ATOM 277 CG HIS A 17 -1.900 -20.061 -0.808 1.00 0.00 C ATOM 278 ND1 HIS A 17 -2.733 -21.154 -0.893 1.00 0.00 N ATOM 279 CD2 HIS A 17 -2.434 -19.223 0.134 1.00 0.00 C ATOM 280 CE1 HIS A 17 -3.736 -20.983 -0.017 1.00 0.00 C ATOM 281 NE2 HIS A 17 -3.599 -19.816 0.640 1.00 0.00 N ATOM 0 H HIS A 17 0.334 -21.892 0.138 1.00 0.00 H new ATOM 0 HA HIS A 17 1.351 -20.205 -2.016 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.616 -18.706 -1.818 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.904 -20.206 -2.677 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -2.610 -21.954 -1.513 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -2.027 -18.269 0.435 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.542 -21.685 0.139 1.00 0.00 H new ATOM 289 N VAL A 18 1.680 -18.334 -0.251 1.00 0.00 N ATOM 290 CA VAL A 18 2.142 -17.420 0.783 1.00 0.00 C ATOM 291 C VAL A 18 0.909 -16.939 1.555 1.00 0.00 C ATOM 292 O VAL A 18 -0.161 -16.752 0.968 1.00 0.00 O ATOM 293 CB VAL A 18 2.924 -16.269 0.116 1.00 0.00 C ATOM 294 CG1 VAL A 18 3.445 -15.246 1.127 1.00 0.00 C ATOM 295 CG2 VAL A 18 4.135 -16.806 -0.659 1.00 0.00 C ATOM 0 H VAL A 18 1.767 -17.956 -1.194 1.00 0.00 H new ATOM 0 HA VAL A 18 2.822 -17.897 1.489 1.00 0.00 H new ATOM 0 HB VAL A 18 2.215 -15.783 -0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.987 -14.459 0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.606 -14.809 1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.114 -15.739 1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.670 -15.975 -1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.801 -17.331 0.025 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.795 -17.493 -1.434 1.00 0.00 H new ATOM 305 N GLN A 19 1.050 -16.752 2.869 1.00 0.00 N ATOM 306 CA GLN A 19 -0.037 -16.346 3.746 1.00 0.00 C ATOM 307 C GLN A 19 -0.696 -15.063 3.218 1.00 0.00 C ATOM 308 O GLN A 19 -0.048 -14.021 3.103 1.00 0.00 O ATOM 309 CB GLN A 19 0.510 -16.204 5.177 1.00 0.00 C ATOM 310 CG GLN A 19 -0.590 -15.964 6.219 1.00 0.00 C ATOM 311 CD GLN A 19 0.000 -15.883 7.629 1.00 0.00 C ATOM 312 OE1 GLN A 19 0.292 -14.804 8.138 1.00 0.00 O ATOM 313 NE2 GLN A 19 0.198 -17.014 8.289 1.00 0.00 N ATOM 0 H GLN A 19 1.937 -16.882 3.355 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.822 -17.102 3.765 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.061 -17.107 5.440 1.00 0.00 H new ATOM 0 HB3 GLN A 19 1.219 -15.377 5.208 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.119 -15.039 5.988 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.322 -16.770 6.173 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.048 -17.905 7.858 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.596 -16.994 9.228 1.00 0.00 H new ATOM 322 N GLY A 20 -1.991 -15.151 2.895 1.00 0.00 N ATOM 323 CA GLY A 20 -2.810 -14.023 2.464 1.00 0.00 C ATOM 324 C GLY A 20 -2.599 -13.606 1.004 1.00 0.00 C ATOM 325 O GLY A 20 -3.179 -12.600 0.588 1.00 0.00 O ATOM 0 H GLY A 20 -2.506 -16.031 2.928 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.860 -14.277 2.608 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.597 -13.169 3.107 1.00 0.00 H new ATOM 329 N ALA A 21 -1.787 -14.326 0.219 1.00 0.00 N ATOM 330 CA ALA A 21 -1.574 -14.002 -1.188 1.00 0.00 C ATOM 331 C ALA A 21 -2.842 -14.243 -2.009 1.00 0.00 C ATOM 332 O ALA A 21 -3.592 -15.190 -1.751 1.00 0.00 O ATOM 333 CB ALA A 21 -0.429 -14.841 -1.754 1.00 0.00 C ATOM 0 H ALA A 21 -1.266 -15.141 0.542 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.317 -12.945 -1.253 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.279 -14.591 -2.804 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.485 -14.632 -1.197 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.675 -15.899 -1.665 1.00 0.00 H new ATOM 339 N ILE A 22 -3.041 -13.416 -3.034 1.00 0.00 N ATOM 340 CA ILE A 22 -4.059 -13.624 -4.061 1.00 0.00 C ATOM 341 C ILE A 22 -3.416 -14.515 -5.131 1.00 0.00 C ATOM 342 O ILE A 22 -2.192 -14.490 -5.285 1.00 0.00 O ATOM 343 CB ILE A 22 -4.493 -12.270 -4.691 1.00 0.00 C ATOM 344 CG1 ILE A 22 -4.556 -11.071 -3.710 1.00 0.00 C ATOM 345 CG2 ILE A 22 -5.840 -12.398 -5.430 1.00 0.00 C ATOM 346 CD1 ILE A 22 -5.538 -11.233 -2.541 1.00 0.00 C ATOM 0 H ILE A 22 -2.490 -12.569 -3.176 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.951 -14.084 -3.635 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.692 -12.043 -5.395 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.559 -10.901 -3.305 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.828 -10.177 -4.271 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.113 -11.434 -5.858 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.749 -13.136 -6.227 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.611 -12.715 -4.728 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.507 -10.342 -1.914 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.547 -11.368 -2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.258 -12.104 -1.948 1.00 0.00 H new ATOM 358 N ASN A 23 -4.215 -15.236 -5.922 1.00 0.00 N ATOM 359 CA ASN A 23 -3.733 -15.893 -7.135 1.00 0.00 C ATOM 360 C ASN A 23 -4.452 -15.262 -8.313 1.00 0.00 C ATOM 361 O ASN A 23 -5.685 -15.185 -8.349 1.00 0.00 O ATOM 362 CB ASN A 23 -3.898 -17.417 -7.111 1.00 0.00 C ATOM 363 CG ASN A 23 -3.465 -18.034 -8.443 1.00 0.00 C ATOM 364 OD1 ASN A 23 -4.226 -18.030 -9.399 1.00 0.00 O ATOM 365 ND2 ASN A 23 -2.259 -18.566 -8.558 1.00 0.00 N ATOM 0 H ASN A 23 -5.208 -15.379 -5.739 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.657 -15.741 -7.217 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.304 -17.838 -6.300 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.939 -17.671 -6.909 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.964 -18.973 -9.445 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.625 -18.569 -7.759 1.00 0.00 H new ATOM 372 N ILE A 24 -3.654 -14.787 -9.260 1.00 0.00 N ATOM 373 CA ILE A 24 -4.099 -14.225 -10.515 1.00 0.00 C ATOM 374 C ILE A 24 -3.061 -14.765 -11.501 1.00 0.00 C ATOM 375 O ILE A 24 -1.968 -14.203 -11.561 1.00 0.00 O ATOM 376 CB ILE A 24 -4.150 -12.673 -10.480 1.00 0.00 C ATOM 377 CG1 ILE A 24 -4.730 -12.060 -9.186 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.913 -12.218 -11.721 1.00 0.00 C ATOM 379 CD1 ILE A 24 -4.783 -10.526 -9.160 1.00 0.00 C ATOM 0 H ILE A 24 -2.638 -14.786 -9.165 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.120 -14.501 -10.779 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.125 -12.303 -10.482 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.739 -12.446 -9.040 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.133 -12.402 -8.341 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.971 -11.130 -11.734 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.394 -12.564 -12.615 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.920 -12.635 -11.702 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.205 -10.193 -8.212 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.775 -10.125 -9.270 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.407 -10.170 -9.980 1.00 0.00 H new ATOM 391 N PRO A 25 -3.323 -15.885 -12.198 1.00 0.00 N ATOM 392 CA PRO A 25 -2.304 -16.533 -13.012 1.00 0.00 C ATOM 393 C PRO A 25 -1.876 -15.567 -14.120 1.00 0.00 C ATOM 394 O PRO A 25 -2.657 -14.702 -14.514 1.00 0.00 O ATOM 395 CB PRO A 25 -2.954 -17.829 -13.509 1.00 0.00 C ATOM 396 CG PRO A 25 -4.443 -17.493 -13.553 1.00 0.00 C ATOM 397 CD PRO A 25 -4.615 -16.531 -12.378 1.00 0.00 C ATOM 0 HA PRO A 25 -1.386 -16.783 -12.480 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.579 -18.114 -14.492 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.751 -18.662 -12.836 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.724 -17.029 -14.498 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.061 -18.384 -13.439 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.393 -15.797 -12.585 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.913 -17.066 -11.476 1.00 0.00 H new ATOM 405 N LEU A 26 -0.650 -15.689 -14.632 1.00 0.00 N ATOM 406 CA LEU A 26 -0.042 -14.686 -15.517 1.00 0.00 C ATOM 407 C LEU A 26 -0.928 -14.282 -16.709 1.00 0.00 C ATOM 408 O LEU A 26 -1.011 -13.101 -17.047 1.00 0.00 O ATOM 409 CB LEU A 26 1.336 -15.208 -15.965 1.00 0.00 C ATOM 410 CG LEU A 26 2.145 -14.269 -16.885 1.00 0.00 C ATOM 411 CD1 LEU A 26 2.277 -12.852 -16.319 1.00 0.00 C ATOM 412 CD2 LEU A 26 3.550 -14.855 -17.072 1.00 0.00 C ATOM 0 H LEU A 26 -0.046 -16.489 -14.445 1.00 0.00 H new ATOM 0 HA LEU A 26 0.073 -13.761 -14.953 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.931 -15.415 -15.076 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.193 -16.157 -16.482 1.00 0.00 H new ATOM 0 HG LEU A 26 1.609 -14.196 -17.831 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.855 -12.237 -17.009 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.286 -12.418 -16.190 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.784 -12.891 -15.355 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.133 -14.201 -17.720 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.042 -14.938 -16.103 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.475 -15.843 -17.526 1.00 0.00 H new ATOM 424 N LYS A 27 -1.641 -15.233 -17.320 1.00 0.00 N ATOM 425 CA LYS A 27 -2.568 -14.962 -18.414 1.00 0.00 C ATOM 426 C LYS A 27 -3.690 -14.014 -17.975 1.00 0.00 C ATOM 427 O LYS A 27 -4.085 -13.139 -18.745 1.00 0.00 O ATOM 428 CB LYS A 27 -3.114 -16.309 -18.921 1.00 0.00 C ATOM 429 CG LYS A 27 -4.097 -16.215 -20.096 1.00 0.00 C ATOM 430 CD LYS A 27 -3.489 -15.587 -21.360 1.00 0.00 C ATOM 431 CE LYS A 27 -4.508 -15.635 -22.507 1.00 0.00 C ATOM 432 NZ LYS A 27 -3.972 -15.050 -23.761 1.00 0.00 N ATOM 0 H LYS A 27 -1.588 -16.219 -17.065 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.049 -14.453 -19.226 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.273 -16.934 -19.221 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.609 -16.817 -18.093 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.460 -17.215 -20.336 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.962 -15.627 -19.789 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.200 -14.555 -21.161 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.583 -16.123 -21.644 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.800 -16.669 -22.687 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.408 -15.096 -22.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.695 -15.105 -24.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.717 -14.055 -23.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.128 -15.580 -24.058 1.00 0.00 H new ATOM 446 N GLU A 28 -4.201 -14.174 -16.752 1.00 0.00 N ATOM 447 CA GLU A 28 -5.215 -13.299 -16.178 1.00 0.00 C ATOM 448 C GLU A 28 -4.607 -11.985 -15.718 1.00 0.00 C ATOM 449 O GLU A 28 -5.193 -10.944 -15.985 1.00 0.00 O ATOM 450 CB GLU A 28 -5.900 -13.965 -14.970 1.00 0.00 C ATOM 451 CG GLU A 28 -7.255 -14.578 -15.333 1.00 0.00 C ATOM 452 CD GLU A 28 -7.872 -15.363 -14.160 1.00 0.00 C ATOM 453 OE1 GLU A 28 -7.867 -14.858 -13.014 1.00 0.00 O ATOM 454 OE2 GLU A 28 -8.392 -16.480 -14.389 1.00 0.00 O ATOM 0 H GLU A 28 -3.915 -14.927 -16.127 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.950 -13.109 -16.960 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.249 -14.741 -14.569 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.038 -13.226 -14.181 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.940 -13.787 -15.638 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.134 -15.242 -16.189 1.00 0.00 H new ATOM 461 N VAL A 29 -3.467 -12.008 -15.022 1.00 0.00 N ATOM 462 CA VAL A 29 -2.940 -10.841 -14.302 1.00 0.00 C ATOM 463 C VAL A 29 -2.771 -9.635 -15.214 1.00 0.00 C ATOM 464 O VAL A 29 -3.067 -8.515 -14.814 1.00 0.00 O ATOM 465 CB VAL A 29 -1.661 -11.221 -13.521 1.00 0.00 C ATOM 466 CG1 VAL A 29 -0.342 -11.032 -14.281 1.00 0.00 C ATOM 467 CG2 VAL A 29 -1.556 -10.457 -12.192 1.00 0.00 C ATOM 0 H VAL A 29 -2.880 -12.838 -14.941 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.675 -10.527 -13.561 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.786 -12.291 -13.353 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.491 -11.327 -13.643 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.348 -11.649 -15.179 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.231 -9.985 -14.561 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.644 -10.752 -11.674 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.530 -9.385 -12.389 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.419 -10.691 -11.569 1.00 0.00 H new ATOM 477 N LYS A 30 -2.393 -9.887 -16.464 1.00 0.00 N ATOM 478 CA LYS A 30 -2.207 -8.870 -17.492 1.00 0.00 C ATOM 479 C LYS A 30 -3.475 -8.057 -17.796 1.00 0.00 C ATOM 480 O LYS A 30 -3.385 -7.006 -18.426 1.00 0.00 O ATOM 481 CB LYS A 30 -1.634 -9.580 -18.734 1.00 0.00 C ATOM 482 CG LYS A 30 -0.882 -8.630 -19.675 1.00 0.00 C ATOM 483 CD LYS A 30 -0.351 -9.375 -20.905 1.00 0.00 C ATOM 484 CE LYS A 30 0.380 -8.396 -21.836 1.00 0.00 C ATOM 485 NZ LYS A 30 0.893 -9.061 -23.061 1.00 0.00 N ATOM 0 H LYS A 30 -2.202 -10.832 -16.798 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.509 -8.114 -17.133 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.959 -10.374 -18.413 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.448 -10.056 -19.281 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.547 -7.826 -19.992 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.053 -8.166 -19.141 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.327 -10.170 -20.594 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.175 -9.849 -21.437 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.299 -7.591 -22.119 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.211 -7.938 -21.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.378 -8.362 -23.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.561 -9.812 -22.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.099 -9.476 -23.589 1.00 0.00 H new ATOM 499 N GLU A 31 -4.644 -8.488 -17.326 1.00 0.00 N ATOM 500 CA GLU A 31 -5.874 -7.705 -17.356 1.00 0.00 C ATOM 501 C GLU A 31 -6.425 -7.557 -15.935 1.00 0.00 C ATOM 502 O GLU A 31 -6.752 -6.454 -15.502 1.00 0.00 O ATOM 503 CB GLU A 31 -6.902 -8.384 -18.278 1.00 0.00 C ATOM 504 CG GLU A 31 -6.490 -8.433 -19.761 1.00 0.00 C ATOM 505 CD GLU A 31 -6.296 -7.051 -20.420 1.00 0.00 C ATOM 506 OE1 GLU A 31 -6.997 -6.077 -20.062 1.00 0.00 O ATOM 507 OE2 GLU A 31 -5.475 -6.941 -21.358 1.00 0.00 O ATOM 0 H GLU A 31 -4.763 -9.410 -16.906 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.666 -6.710 -17.750 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.071 -9.402 -17.926 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.852 -7.856 -18.194 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.561 -8.996 -19.848 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.249 -8.983 -20.317 1.00 0.00 H new ATOM 514 N ARG A 32 -6.492 -8.654 -15.179 1.00 0.00 N ATOM 515 CA ARG A 32 -7.150 -8.723 -13.880 1.00 0.00 C ATOM 516 C ARG A 32 -6.431 -7.908 -12.808 1.00 0.00 C ATOM 517 O ARG A 32 -7.095 -7.485 -11.861 1.00 0.00 O ATOM 518 CB ARG A 32 -7.366 -10.200 -13.489 1.00 0.00 C ATOM 519 CG ARG A 32 -8.047 -10.368 -12.119 1.00 0.00 C ATOM 520 CD ARG A 32 -8.628 -11.776 -11.913 1.00 0.00 C ATOM 521 NE ARG A 32 -8.839 -12.058 -10.478 1.00 0.00 N ATOM 522 CZ ARG A 32 -8.346 -13.089 -9.772 1.00 0.00 C ATOM 523 NH1 ARG A 32 -7.752 -14.127 -10.353 1.00 0.00 N ATOM 524 NH2 ARG A 32 -8.433 -13.075 -8.445 1.00 0.00 N ATOM 0 H ARG A 32 -6.078 -9.541 -15.464 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.130 -8.252 -13.961 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.973 -10.687 -14.252 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.403 -10.710 -13.475 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.324 -10.159 -11.331 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.846 -9.632 -12.022 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.574 -11.865 -12.447 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.952 -12.518 -12.337 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.424 -11.397 -9.967 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.659 -14.159 -11.368 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.390 -14.892 -9.783 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.872 -12.285 -7.971 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.061 -13.854 -7.901 1.00 0.00 H new ATOM 538 N ILE A 33 -5.126 -7.626 -12.932 1.00 0.00 N ATOM 539 CA ILE A 33 -4.476 -6.732 -11.968 1.00 0.00 C ATOM 540 C ILE A 33 -5.152 -5.363 -12.006 1.00 0.00 C ATOM 541 O ILE A 33 -5.309 -4.754 -10.956 1.00 0.00 O ATOM 542 CB ILE A 33 -2.944 -6.625 -12.156 1.00 0.00 C ATOM 543 CG1 ILE A 33 -2.235 -6.062 -10.894 1.00 0.00 C ATOM 544 CG2 ILE A 33 -2.561 -5.771 -13.373 1.00 0.00 C ATOM 545 CD1 ILE A 33 -2.139 -7.089 -9.760 1.00 0.00 C ATOM 0 H ILE A 33 -4.518 -7.991 -13.665 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.605 -7.170 -10.978 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.602 -7.646 -12.326 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.232 -5.730 -11.164 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.776 -5.185 -10.539 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.475 -5.728 -13.460 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.980 -6.215 -14.276 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.955 -4.763 -13.248 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.635 -6.640 -8.904 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.141 -7.402 -9.467 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.573 -7.956 -10.101 1.00 0.00 H new ATOM 557 N ALA A 34 -5.615 -4.900 -13.175 1.00 0.00 N ATOM 558 CA ALA A 34 -6.310 -3.620 -13.255 1.00 0.00 C ATOM 559 C ALA A 34 -7.564 -3.597 -12.376 1.00 0.00 C ATOM 560 O ALA A 34 -7.867 -2.579 -11.754 1.00 0.00 O ATOM 561 CB ALA A 34 -6.668 -3.302 -14.708 1.00 0.00 C ATOM 0 H ALA A 34 -5.520 -5.390 -14.065 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.634 -2.852 -12.879 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.186 -2.344 -14.754 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.757 -3.251 -15.304 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.316 -4.084 -15.103 1.00 0.00 H new ATOM 567 N THR A 35 -8.281 -4.717 -12.312 1.00 0.00 N ATOM 568 CA THR A 35 -9.481 -4.869 -11.503 1.00 0.00 C ATOM 569 C THR A 35 -9.112 -4.993 -10.017 1.00 0.00 C ATOM 570 O THR A 35 -9.757 -4.385 -9.160 1.00 0.00 O ATOM 571 CB THR A 35 -10.257 -6.110 -11.997 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.232 -6.185 -13.416 1.00 0.00 O ATOM 573 CG2 THR A 35 -11.717 -6.086 -11.535 1.00 0.00 C ATOM 0 H THR A 35 -8.036 -5.559 -12.833 1.00 0.00 H new ATOM 0 HA THR A 35 -10.116 -3.989 -11.606 1.00 0.00 H new ATOM 0 HB THR A 35 -9.764 -6.982 -11.568 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.727 -6.978 -13.710 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.230 -6.975 -11.902 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.754 -6.070 -10.446 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.208 -5.196 -11.928 1.00 0.00 H new ATOM 581 N ALA A 36 -8.076 -5.779 -9.711 1.00 0.00 N ATOM 582 CA ALA A 36 -7.730 -6.163 -8.345 1.00 0.00 C ATOM 583 C ALA A 36 -6.931 -5.073 -7.620 1.00 0.00 C ATOM 584 O ALA A 36 -7.069 -4.909 -6.407 1.00 0.00 O ATOM 585 CB ALA A 36 -6.928 -7.469 -8.386 1.00 0.00 C ATOM 0 H ALA A 36 -7.449 -6.169 -10.414 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.654 -6.302 -7.785 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.664 -7.766 -7.371 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.530 -8.251 -8.848 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.019 -7.320 -8.969 1.00 0.00 H new ATOM 591 N VAL A 37 -6.095 -4.346 -8.358 1.00 0.00 N ATOM 592 CA VAL A 37 -5.096 -3.406 -7.867 1.00 0.00 C ATOM 593 C VAL A 37 -5.020 -2.252 -8.885 1.00 0.00 C ATOM 594 O VAL A 37 -4.070 -2.173 -9.667 1.00 0.00 O ATOM 595 CB VAL A 37 -3.727 -4.108 -7.670 1.00 0.00 C ATOM 596 CG1 VAL A 37 -2.793 -3.208 -6.856 1.00 0.00 C ATOM 597 CG2 VAL A 37 -3.796 -5.490 -7.002 1.00 0.00 C ATOM 0 H VAL A 37 -6.099 -4.403 -9.376 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.373 -3.014 -6.888 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.346 -4.277 -8.677 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.833 -3.707 -6.721 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.642 -2.267 -7.385 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.238 -3.008 -5.881 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.790 -5.899 -6.908 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.242 -5.394 -6.012 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.404 -6.159 -7.611 1.00 0.00 H new ATOM 607 N PRO A 38 -6.026 -1.364 -8.952 1.00 0.00 N ATOM 608 CA PRO A 38 -6.015 -0.264 -9.910 1.00 0.00 C ATOM 609 C PRO A 38 -4.853 0.709 -9.657 1.00 0.00 C ATOM 610 O PRO A 38 -4.336 1.294 -10.613 1.00 0.00 O ATOM 611 CB PRO A 38 -7.388 0.408 -9.788 1.00 0.00 C ATOM 612 CG PRO A 38 -7.885 0.005 -8.399 1.00 0.00 C ATOM 613 CD PRO A 38 -7.251 -1.366 -8.171 1.00 0.00 C ATOM 0 HA PRO A 38 -5.850 -0.622 -10.926 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.311 1.491 -9.884 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.068 0.067 -10.568 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.574 0.722 -7.639 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -8.973 -0.046 -8.362 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.042 -1.530 -7.114 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.919 -2.165 -8.492 1.00 0.00 H new ATOM 621 N ASP A 39 -4.423 0.869 -8.399 1.00 0.00 N ATOM 622 CA ASP A 39 -3.304 1.730 -8.023 1.00 0.00 C ATOM 623 C ASP A 39 -1.991 1.200 -8.605 1.00 0.00 C ATOM 624 O ASP A 39 -1.451 0.189 -8.153 1.00 0.00 O ATOM 625 CB ASP A 39 -3.191 1.865 -6.498 1.00 0.00 C ATOM 626 CG ASP A 39 -1.968 2.707 -6.081 1.00 0.00 C ATOM 627 OD1 ASP A 39 -1.430 3.472 -6.913 1.00 0.00 O ATOM 628 OD2 ASP A 39 -1.567 2.627 -4.898 1.00 0.00 O ATOM 0 H ASP A 39 -4.852 0.395 -7.604 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.497 2.719 -8.438 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.098 2.325 -6.107 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.118 0.874 -6.051 1.00 0.00 H new ATOM 633 N LYS A 40 -1.460 1.908 -9.604 1.00 0.00 N ATOM 634 CA LYS A 40 -0.219 1.549 -10.285 1.00 0.00 C ATOM 635 C LYS A 40 0.984 1.560 -9.339 1.00 0.00 C ATOM 636 O LYS A 40 1.951 0.840 -9.595 1.00 0.00 O ATOM 637 CB LYS A 40 0.006 2.500 -11.475 1.00 0.00 C ATOM 638 CG LYS A 40 -1.113 2.403 -12.529 1.00 0.00 C ATOM 639 CD LYS A 40 -1.098 1.092 -13.331 1.00 0.00 C ATOM 640 CE LYS A 40 -2.422 0.870 -14.078 1.00 0.00 C ATOM 641 NZ LYS A 40 -3.509 0.370 -13.193 1.00 0.00 N ATOM 0 H LYS A 40 -1.888 2.760 -9.967 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.316 0.527 -10.651 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.068 3.525 -11.110 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.963 2.270 -11.944 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.078 2.503 -12.031 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.023 3.241 -13.220 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.275 1.112 -14.046 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.915 0.255 -12.657 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.736 1.807 -14.537 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.262 0.157 -14.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.411 0.383 -13.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.295 -0.603 -12.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.582 0.980 -12.354 1.00 0.00 H new ATOM 655 N ASN A 41 0.931 2.345 -8.259 1.00 0.00 N ATOM 656 CA ASN A 41 2.013 2.486 -7.289 1.00 0.00 C ATOM 657 C ASN A 41 1.923 1.425 -6.181 1.00 0.00 C ATOM 658 O ASN A 41 2.709 1.456 -5.235 1.00 0.00 O ATOM 659 CB ASN A 41 1.973 3.907 -6.702 1.00 0.00 C ATOM 660 CG ASN A 41 3.167 4.202 -5.798 1.00 0.00 C ATOM 661 OD1 ASN A 41 4.308 4.257 -6.251 1.00 0.00 O ATOM 662 ND2 ASN A 41 2.932 4.426 -4.514 1.00 0.00 N ATOM 0 H ASN A 41 0.114 2.912 -8.033 1.00 0.00 H new ATOM 0 HA ASN A 41 2.966 2.328 -7.795 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.950 4.632 -7.516 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.051 4.036 -6.134 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.704 4.648 -3.885 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.979 4.377 -4.154 1.00 0.00 H new ATOM 669 N ASP A 42 0.968 0.492 -6.239 1.00 0.00 N ATOM 670 CA ASP A 42 0.920 -0.596 -5.266 1.00 0.00 C ATOM 671 C ASP A 42 2.138 -1.497 -5.434 1.00 0.00 C ATOM 672 O ASP A 42 2.574 -1.760 -6.560 1.00 0.00 O ATOM 673 CB ASP A 42 -0.322 -1.450 -5.448 1.00 0.00 C ATOM 674 CG ASP A 42 -0.543 -2.326 -4.216 1.00 0.00 C ATOM 675 OD1 ASP A 42 -1.186 -1.835 -3.262 1.00 0.00 O ATOM 676 OD2 ASP A 42 -0.041 -3.468 -4.200 1.00 0.00 O ATOM 0 H ASP A 42 0.228 0.470 -6.941 1.00 0.00 H new ATOM 0 HA ASP A 42 0.905 -0.144 -4.274 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.191 -0.812 -5.611 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.216 -2.076 -6.334 1.00 0.00 H new ATOM 681 N THR A 43 2.660 -2.004 -4.324 1.00 0.00 N ATOM 682 CA THR A 43 3.708 -3.000 -4.335 1.00 0.00 C ATOM 683 C THR A 43 3.124 -4.371 -4.686 1.00 0.00 C ATOM 684 O THR A 43 2.890 -5.216 -3.820 1.00 0.00 O ATOM 685 CB THR A 43 4.511 -2.982 -3.033 1.00 0.00 C ATOM 686 OG1 THR A 43 4.873 -1.658 -2.690 1.00 0.00 O ATOM 687 CG2 THR A 43 5.759 -3.827 -3.250 1.00 0.00 C ATOM 0 H THR A 43 2.362 -1.730 -3.388 1.00 0.00 H new ATOM 0 HA THR A 43 4.429 -2.758 -5.116 1.00 0.00 H new ATOM 0 HB THR A 43 3.912 -3.384 -2.216 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.397 -1.263 -3.418 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.356 -3.835 -2.338 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.469 -4.847 -3.503 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.347 -3.405 -4.065 1.00 0.00 H new ATOM 695 N VAL A 44 2.888 -4.583 -5.975 1.00 0.00 N ATOM 696 CA VAL A 44 2.508 -5.871 -6.526 1.00 0.00 C ATOM 697 C VAL A 44 3.756 -6.756 -6.462 1.00 0.00 C ATOM 698 O VAL A 44 4.657 -6.615 -7.292 1.00 0.00 O ATOM 699 CB VAL A 44 1.956 -5.694 -7.959 1.00 0.00 C ATOM 700 CG1 VAL A 44 1.533 -7.047 -8.540 1.00 0.00 C ATOM 701 CG2 VAL A 44 0.734 -4.760 -7.985 1.00 0.00 C ATOM 0 H VAL A 44 2.958 -3.847 -6.678 1.00 0.00 H new ATOM 0 HA VAL A 44 1.705 -6.344 -5.962 1.00 0.00 H new ATOM 0 HB VAL A 44 2.757 -5.256 -8.555 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.147 -6.905 -9.549 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.394 -7.715 -8.572 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.757 -7.486 -7.913 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.374 -4.660 -9.009 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.057 -5.178 -7.362 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.017 -3.779 -7.603 1.00 0.00 H new ATOM 711 N LYS A 45 3.832 -7.636 -5.460 1.00 0.00 N ATOM 712 CA LYS A 45 4.871 -8.655 -5.365 1.00 0.00 C ATOM 713 C LYS A 45 4.434 -9.811 -6.253 1.00 0.00 C ATOM 714 O LYS A 45 3.596 -10.612 -5.830 1.00 0.00 O ATOM 715 CB LYS A 45 5.076 -9.141 -3.921 1.00 0.00 C ATOM 716 CG LYS A 45 5.385 -8.025 -2.923 1.00 0.00 C ATOM 717 CD LYS A 45 5.534 -8.625 -1.519 1.00 0.00 C ATOM 718 CE LYS A 45 6.069 -7.623 -0.491 1.00 0.00 C ATOM 719 NZ LYS A 45 7.550 -7.562 -0.451 1.00 0.00 N ATOM 0 H LYS A 45 3.167 -7.658 -4.687 1.00 0.00 H new ATOM 0 HA LYS A 45 5.826 -8.239 -5.685 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.178 -9.666 -3.595 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.892 -9.864 -3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.302 -7.509 -3.209 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.586 -7.283 -2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.566 -8.997 -1.185 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.206 -9.482 -1.566 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.677 -6.632 -0.721 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.696 -7.892 0.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.857 -7.165 0.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.940 -8.520 -0.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.894 -6.958 -1.225 1.00 0.00 H new ATOM 733 N VAL A 46 4.938 -9.889 -7.480 1.00 0.00 N ATOM 734 CA VAL A 46 4.680 -11.055 -8.318 1.00 0.00 C ATOM 735 C VAL A 46 5.557 -12.206 -7.815 1.00 0.00 C ATOM 736 O VAL A 46 6.748 -12.006 -7.556 1.00 0.00 O ATOM 737 CB VAL A 46 4.882 -10.743 -9.815 1.00 0.00 C ATOM 738 CG1 VAL A 46 3.794 -9.786 -10.321 1.00 0.00 C ATOM 739 CG2 VAL A 46 6.247 -10.134 -10.162 1.00 0.00 C ATOM 0 H VAL A 46 5.519 -9.170 -7.912 1.00 0.00 H new ATOM 0 HA VAL A 46 3.634 -11.352 -8.237 1.00 0.00 H new ATOM 0 HB VAL A 46 4.823 -11.714 -10.307 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.955 -9.579 -11.379 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.814 -10.245 -10.186 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.839 -8.854 -9.758 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.300 -9.948 -11.235 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.374 -9.195 -9.624 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.038 -10.826 -9.874 1.00 0.00 H new ATOM 749 N TYR A 47 4.999 -13.414 -7.703 1.00 0.00 N ATOM 750 CA TYR A 47 5.765 -14.628 -7.429 1.00 0.00 C ATOM 751 C TYR A 47 5.149 -15.817 -8.172 1.00 0.00 C ATOM 752 O TYR A 47 4.000 -15.740 -8.609 1.00 0.00 O ATOM 753 CB TYR A 47 5.891 -14.873 -5.918 1.00 0.00 C ATOM 754 CG TYR A 47 4.688 -15.475 -5.218 1.00 0.00 C ATOM 755 CD1 TYR A 47 4.529 -16.873 -5.193 1.00 0.00 C ATOM 756 CD2 TYR A 47 3.759 -14.654 -4.551 1.00 0.00 C ATOM 757 CE1 TYR A 47 3.449 -17.451 -4.511 1.00 0.00 C ATOM 758 CE2 TYR A 47 2.695 -15.233 -3.833 1.00 0.00 C ATOM 759 CZ TYR A 47 2.538 -16.637 -3.810 1.00 0.00 C ATOM 760 OH TYR A 47 1.502 -17.214 -3.134 1.00 0.00 O ATOM 0 H TYR A 47 3.997 -13.576 -7.801 1.00 0.00 H new ATOM 0 HA TYR A 47 6.781 -14.501 -7.803 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.745 -15.530 -5.751 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.122 -13.922 -5.438 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.243 -17.504 -5.702 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.862 -13.580 -4.590 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.315 -18.523 -4.523 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.998 -14.603 -3.299 1.00 0.00 H new ATOM 0 HH TYR A 47 1.551 -18.188 -3.230 1.00 0.00 H new ATOM 770 N CYS A 48 5.911 -16.898 -8.358 1.00 0.00 N ATOM 771 CA CYS A 48 5.490 -18.102 -9.056 1.00 0.00 C ATOM 772 C CYS A 48 6.105 -19.329 -8.370 1.00 0.00 C ATOM 773 O CYS A 48 6.398 -19.277 -7.177 1.00 0.00 O ATOM 774 CB CYS A 48 5.806 -17.976 -10.559 1.00 0.00 C ATOM 775 SG CYS A 48 7.594 -17.957 -10.879 1.00 0.00 S ATOM 0 H CYS A 48 6.869 -16.955 -8.013 1.00 0.00 H new ATOM 0 HA CYS A 48 4.410 -18.235 -8.998 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.350 -18.808 -11.096 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.358 -17.062 -10.948 1.00 0.00 H new ATOM 0 HG CYS A 48 8.084 -16.802 -10.538 1.00 0.00 H new ATOM 781 N ASN A 49 6.300 -20.443 -9.087 1.00 0.00 N ATOM 782 CA ASN A 49 6.905 -21.650 -8.514 1.00 0.00 C ATOM 783 C ASN A 49 8.328 -21.388 -8.002 1.00 0.00 C ATOM 784 O ASN A 49 8.672 -21.842 -6.909 1.00 0.00 O ATOM 785 CB ASN A 49 6.908 -22.784 -9.551 1.00 0.00 C ATOM 786 CG ASN A 49 7.469 -24.075 -8.957 1.00 0.00 C ATOM 787 OD1 ASN A 49 8.678 -24.293 -8.934 1.00 0.00 O ATOM 788 ND2 ASN A 49 6.613 -24.956 -8.470 1.00 0.00 N ATOM 0 H ASN A 49 6.045 -20.532 -10.071 1.00 0.00 H new ATOM 0 HA ASN A 49 6.301 -21.949 -7.658 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.893 -22.956 -9.908 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.504 -22.489 -10.415 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.953 -25.830 -8.069 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.612 -24.762 -8.495 1.00 0.00 H new ATOM 795 N ALA A 50 9.139 -20.635 -8.760 1.00 0.00 N ATOM 796 CA ALA A 50 10.557 -20.431 -8.452 1.00 0.00 C ATOM 797 C ALA A 50 11.074 -19.037 -8.832 1.00 0.00 C ATOM 798 O ALA A 50 11.856 -18.469 -8.070 1.00 0.00 O ATOM 799 CB ALA A 50 11.385 -21.504 -9.171 1.00 0.00 C ATOM 0 H ALA A 50 8.828 -20.152 -9.603 1.00 0.00 H new ATOM 0 HA ALA A 50 10.663 -20.513 -7.370 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.442 -21.359 -8.947 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.074 -22.492 -8.831 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.228 -21.424 -10.247 1.00 0.00 H new ATOM 805 N GLY A 51 10.651 -18.469 -9.969 1.00 0.00 N ATOM 806 CA GLY A 51 11.022 -17.102 -10.340 1.00 0.00 C ATOM 807 C GLY A 51 10.854 -16.759 -11.820 1.00 0.00 C ATOM 808 O GLY A 51 10.682 -15.587 -12.146 1.00 0.00 O ATOM 0 H GLY A 51 10.051 -18.938 -10.647 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.421 -16.408 -9.753 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.063 -16.937 -10.062 1.00 0.00 H new ATOM 812 N ARG A 52 10.908 -17.732 -12.741 1.00 0.00 N ATOM 813 CA ARG A 52 10.925 -17.413 -14.177 1.00 0.00 C ATOM 814 C ARG A 52 9.637 -16.728 -14.642 1.00 0.00 C ATOM 815 O ARG A 52 9.701 -15.704 -15.326 1.00 0.00 O ATOM 816 CB ARG A 52 11.297 -18.648 -15.024 1.00 0.00 C ATOM 817 CG ARG A 52 10.304 -19.824 -14.977 1.00 0.00 C ATOM 818 CD ARG A 52 10.848 -21.021 -15.767 1.00 0.00 C ATOM 819 NE ARG A 52 9.906 -22.156 -15.749 1.00 0.00 N ATOM 820 CZ ARG A 52 10.104 -23.342 -16.341 1.00 0.00 C ATOM 821 NH1 ARG A 52 11.224 -23.585 -17.019 1.00 0.00 N ATOM 822 NH2 ARG A 52 9.173 -24.286 -16.251 1.00 0.00 N ATOM 0 H ARG A 52 10.940 -18.728 -12.524 1.00 0.00 H new ATOM 0 HA ARG A 52 11.714 -16.678 -14.336 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.407 -18.332 -16.062 1.00 0.00 H new ATOM 0 HB3 ARG A 52 12.272 -19.008 -14.696 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.125 -20.115 -13.942 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.345 -19.514 -15.391 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.038 -20.721 -16.798 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.803 -21.333 -15.344 1.00 0.00 H new ATOM 0 HE ARG A 52 9.030 -22.027 -15.243 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.942 -22.865 -17.092 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.363 -24.491 -17.465 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.313 -24.106 -15.733 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.319 -25.190 -16.700 1.00 0.00 H new ATOM 836 N GLN A 53 8.470 -17.251 -14.252 1.00 0.00 N ATOM 837 CA GLN A 53 7.190 -16.718 -14.714 1.00 0.00 C ATOM 838 C GLN A 53 6.902 -15.381 -14.033 1.00 0.00 C ATOM 839 O GLN A 53 6.386 -14.471 -14.678 1.00 0.00 O ATOM 840 CB GLN A 53 6.081 -17.763 -14.485 1.00 0.00 C ATOM 841 CG GLN A 53 4.759 -17.442 -15.191 1.00 0.00 C ATOM 842 CD GLN A 53 3.850 -18.670 -15.314 1.00 0.00 C ATOM 843 OE1 GLN A 53 4.167 -19.621 -16.025 1.00 0.00 O ATOM 844 NE2 GLN A 53 2.700 -18.698 -14.656 1.00 0.00 N ATOM 0 H GLN A 53 8.388 -18.044 -13.616 1.00 0.00 H new ATOM 0 HA GLN A 53 7.228 -16.521 -15.785 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.437 -18.735 -14.828 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.896 -17.851 -13.414 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.236 -16.660 -14.640 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.968 -17.047 -16.185 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.432 -17.912 -14.064 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.083 -19.506 -14.741 1.00 0.00 H new ATOM 853 N SER A 54 7.279 -15.216 -12.761 1.00 0.00 N ATOM 854 CA SER A 54 7.135 -13.943 -12.070 1.00 0.00 C ATOM 855 C SER A 54 8.133 -12.908 -12.596 1.00 0.00 C ATOM 856 O SER A 54 7.846 -11.715 -12.541 1.00 0.00 O ATOM 857 CB SER A 54 7.248 -14.163 -10.560 1.00 0.00 C ATOM 858 OG SER A 54 8.412 -14.904 -10.242 1.00 0.00 O ATOM 0 H SER A 54 7.688 -15.957 -12.191 1.00 0.00 H new ATOM 0 HA SER A 54 6.146 -13.532 -12.272 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.274 -13.200 -10.049 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.366 -14.691 -10.199 1.00 0.00 H new ATOM 0 HG SER A 54 8.346 -15.239 -9.323 1.00 0.00 H new ATOM 864 N GLY A 55 9.295 -13.323 -13.106 1.00 0.00 N ATOM 865 CA GLY A 55 10.264 -12.428 -13.723 1.00 0.00 C ATOM 866 C GLY A 55 9.660 -11.796 -14.969 1.00 0.00 C ATOM 867 O GLY A 55 9.655 -10.572 -15.108 1.00 0.00 O ATOM 0 H GLY A 55 9.588 -14.300 -13.100 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.558 -11.652 -13.016 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.167 -12.979 -13.985 1.00 0.00 H new ATOM 871 N GLN A 56 9.068 -12.622 -15.836 1.00 0.00 N ATOM 872 CA GLN A 56 8.313 -12.132 -16.982 1.00 0.00 C ATOM 873 C GLN A 56 7.140 -11.269 -16.518 1.00 0.00 C ATOM 874 O GLN A 56 6.965 -10.171 -17.043 1.00 0.00 O ATOM 875 CB GLN A 56 7.860 -13.313 -17.856 1.00 0.00 C ATOM 876 CG GLN A 56 9.026 -13.948 -18.635 1.00 0.00 C ATOM 877 CD GLN A 56 9.595 -13.003 -19.700 1.00 0.00 C ATOM 878 OE1 GLN A 56 9.105 -12.944 -20.825 1.00 0.00 O ATOM 879 NE2 GLN A 56 10.623 -12.230 -19.377 1.00 0.00 N ATOM 0 H GLN A 56 9.100 -13.639 -15.761 1.00 0.00 H new ATOM 0 HA GLN A 56 8.953 -11.497 -17.595 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.393 -14.070 -17.226 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.101 -12.971 -18.559 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.817 -14.226 -17.939 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.684 -14.866 -19.112 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.026 -12.282 -18.442 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.010 -11.583 -20.064 1.00 0.00 H new ATOM 888 N ALA A 57 6.386 -11.704 -15.503 1.00 0.00 N ATOM 889 CA ALA A 57 5.271 -10.929 -14.971 1.00 0.00 C ATOM 890 C ALA A 57 5.713 -9.543 -14.505 1.00 0.00 C ATOM 891 O ALA A 57 5.008 -8.572 -14.773 1.00 0.00 O ATOM 892 CB ALA A 57 4.593 -11.675 -13.823 1.00 0.00 C ATOM 0 H ALA A 57 6.533 -12.597 -15.033 1.00 0.00 H new ATOM 0 HA ALA A 57 4.555 -10.797 -15.782 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.764 -11.079 -13.441 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.216 -12.632 -14.183 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.315 -11.847 -13.024 1.00 0.00 H new ATOM 898 N LYS A 58 6.873 -9.424 -13.844 1.00 0.00 N ATOM 899 CA LYS A 58 7.355 -8.133 -13.370 1.00 0.00 C ATOM 900 C LYS A 58 7.495 -7.183 -14.556 1.00 0.00 C ATOM 901 O LYS A 58 7.039 -6.040 -14.490 1.00 0.00 O ATOM 902 CB LYS A 58 8.666 -8.248 -12.566 1.00 0.00 C ATOM 903 CG LYS A 58 9.311 -6.860 -12.383 1.00 0.00 C ATOM 904 CD LYS A 58 10.397 -6.806 -11.306 1.00 0.00 C ATOM 905 CE LYS A 58 11.208 -5.505 -11.423 1.00 0.00 C ATOM 906 NZ LYS A 58 12.141 -5.507 -12.582 1.00 0.00 N ATOM 0 H LYS A 58 7.489 -10.208 -13.629 1.00 0.00 H new ATOM 0 HA LYS A 58 6.622 -7.728 -12.673 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.464 -8.693 -11.592 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.359 -8.912 -13.082 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.742 -6.545 -13.333 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.531 -6.140 -12.133 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.941 -6.869 -10.318 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.060 -7.665 -11.407 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.523 -4.663 -11.516 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.777 -5.353 -10.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.673 -4.613 -12.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.804 -6.303 -12.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.599 -5.606 -13.464 1.00 0.00 H new ATOM 920 N GLU A 59 8.131 -7.643 -15.630 1.00 0.00 N ATOM 921 CA GLU A 59 8.453 -6.785 -16.760 1.00 0.00 C ATOM 922 C GLU A 59 7.182 -6.464 -17.538 1.00 0.00 C ATOM 923 O GLU A 59 7.002 -5.326 -17.960 1.00 0.00 O ATOM 924 CB GLU A 59 9.522 -7.446 -17.645 1.00 0.00 C ATOM 925 CG GLU A 59 10.874 -7.612 -16.929 1.00 0.00 C ATOM 926 CD GLU A 59 11.478 -6.275 -16.460 1.00 0.00 C ATOM 927 OE1 GLU A 59 11.997 -5.511 -17.306 1.00 0.00 O ATOM 928 OE2 GLU A 59 11.457 -5.989 -15.241 1.00 0.00 O ATOM 0 H GLU A 59 8.434 -8.611 -15.739 1.00 0.00 H new ATOM 0 HA GLU A 59 8.871 -5.845 -16.400 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.165 -8.424 -17.968 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.664 -6.846 -18.544 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.744 -8.267 -16.068 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.576 -8.105 -17.601 1.00 0.00 H new ATOM 935 N ILE A 60 6.269 -7.430 -17.657 1.00 0.00 N ATOM 936 CA ILE A 60 4.957 -7.247 -18.258 1.00 0.00 C ATOM 937 C ILE A 60 4.202 -6.138 -17.514 1.00 0.00 C ATOM 938 O ILE A 60 3.741 -5.191 -18.149 1.00 0.00 O ATOM 939 CB ILE A 60 4.236 -8.618 -18.285 1.00 0.00 C ATOM 940 CG1 ILE A 60 4.835 -9.491 -19.416 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.716 -8.488 -18.453 1.00 0.00 C ATOM 942 CD1 ILE A 60 4.447 -10.974 -19.339 1.00 0.00 C ATOM 0 H ILE A 60 6.431 -8.382 -17.329 1.00 0.00 H new ATOM 0 HA ILE A 60 5.022 -6.909 -19.292 1.00 0.00 H new ATOM 0 HB ILE A 60 4.399 -9.095 -17.319 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.512 -9.092 -20.377 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.922 -9.409 -19.386 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.265 -9.480 -18.465 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.306 -7.913 -17.623 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.496 -7.978 -19.391 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.907 -11.514 -20.166 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.795 -11.392 -18.394 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.363 -11.070 -19.401 1.00 0.00 H new ATOM 954 N LEU A 61 4.103 -6.208 -16.182 1.00 0.00 N ATOM 955 CA LEU A 61 3.354 -5.214 -15.417 1.00 0.00 C ATOM 956 C LEU A 61 4.048 -3.851 -15.452 1.00 0.00 C ATOM 957 O LEU A 61 3.377 -2.817 -15.508 1.00 0.00 O ATOM 958 CB LEU A 61 3.148 -5.674 -13.967 1.00 0.00 C ATOM 959 CG LEU A 61 2.219 -6.893 -13.788 1.00 0.00 C ATOM 960 CD1 LEU A 61 1.914 -7.079 -12.298 1.00 0.00 C ATOM 961 CD2 LEU A 61 0.909 -6.784 -14.573 1.00 0.00 C ATOM 0 H LEU A 61 4.531 -6.941 -15.616 1.00 0.00 H new ATOM 0 HA LEU A 61 2.375 -5.109 -15.885 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.121 -5.913 -13.537 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.742 -4.841 -13.393 1.00 0.00 H new ATOM 0 HG LEU A 61 2.748 -7.757 -14.190 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.258 -7.939 -12.166 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.844 -7.245 -11.754 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.423 -6.185 -11.913 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.306 -7.675 -14.400 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.358 -5.904 -14.242 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.129 -6.695 -15.637 1.00 0.00 H new ATOM 973 N SER A 62 5.382 -3.831 -15.450 1.00 0.00 N ATOM 974 CA SER A 62 6.144 -2.594 -15.554 1.00 0.00 C ATOM 975 C SER A 62 5.898 -1.928 -16.916 1.00 0.00 C ATOM 976 O SER A 62 5.688 -0.717 -16.976 1.00 0.00 O ATOM 977 CB SER A 62 7.633 -2.876 -15.323 1.00 0.00 C ATOM 978 OG SER A 62 7.841 -3.513 -14.073 1.00 0.00 O ATOM 0 H SER A 62 5.958 -4.669 -15.376 1.00 0.00 H new ATOM 0 HA SER A 62 5.810 -1.899 -14.784 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.016 -3.507 -16.125 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.193 -1.942 -15.357 1.00 0.00 H new ATOM 0 HG SER A 62 7.865 -4.484 -14.201 1.00 0.00 H new ATOM 984 N GLU A 63 5.861 -2.708 -18.003 1.00 0.00 N ATOM 985 CA GLU A 63 5.581 -2.221 -19.349 1.00 0.00 C ATOM 986 C GLU A 63 4.129 -1.731 -19.453 1.00 0.00 C ATOM 987 O GLU A 63 3.868 -0.709 -20.089 1.00 0.00 O ATOM 988 CB GLU A 63 5.878 -3.345 -20.360 1.00 0.00 C ATOM 989 CG GLU A 63 5.818 -2.905 -21.831 1.00 0.00 C ATOM 990 CD GLU A 63 6.951 -1.928 -22.201 1.00 0.00 C ATOM 991 OE1 GLU A 63 8.069 -2.383 -22.536 1.00 0.00 O ATOM 992 OE2 GLU A 63 6.733 -0.696 -22.187 1.00 0.00 O ATOM 0 H GLU A 63 6.029 -3.713 -17.965 1.00 0.00 H new ATOM 0 HA GLU A 63 6.222 -1.369 -19.577 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.869 -3.750 -20.154 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.164 -4.154 -20.206 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.877 -3.784 -22.473 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.856 -2.431 -22.026 1.00 0.00 H new ATOM 999 N MET A 64 3.189 -2.419 -18.791 1.00 0.00 N ATOM 1000 CA MET A 64 1.791 -1.985 -18.710 1.00 0.00 C ATOM 1001 C MET A 64 1.668 -0.624 -18.016 1.00 0.00 C ATOM 1002 O MET A 64 0.774 0.153 -18.360 1.00 0.00 O ATOM 1003 CB MET A 64 0.935 -3.015 -17.961 1.00 0.00 C ATOM 1004 CG MET A 64 0.625 -4.254 -18.803 1.00 0.00 C ATOM 1005 SD MET A 64 -0.009 -5.660 -17.851 1.00 0.00 S ATOM 1006 CE MET A 64 -1.415 -4.922 -16.974 1.00 0.00 C ATOM 0 H MET A 64 3.378 -3.291 -18.297 1.00 0.00 H new ATOM 0 HA MET A 64 1.427 -1.893 -19.733 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.454 -3.320 -17.052 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.000 -2.548 -17.653 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.106 -3.987 -19.566 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.532 -4.562 -19.324 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.968 -5.702 -16.451 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.051 -4.190 -16.253 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.073 -4.429 -17.690 1.00 0.00 H new ATOM 1016 N GLY A 65 2.559 -0.324 -17.065 1.00 0.00 N ATOM 1017 CA GLY A 65 2.689 0.994 -16.458 1.00 0.00 C ATOM 1018 C GLY A 65 2.585 0.978 -14.936 1.00 0.00 C ATOM 1019 O GLY A 65 2.442 2.049 -14.346 1.00 0.00 O ATOM 0 H GLY A 65 3.219 -1.006 -16.693 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.649 1.423 -16.744 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.915 1.648 -16.860 1.00 0.00 H new ATOM 1023 N TYR A 66 2.616 -0.190 -14.282 1.00 0.00 N ATOM 1024 CA TYR A 66 2.739 -0.243 -12.827 1.00 0.00 C ATOM 1025 C TYR A 66 4.117 0.314 -12.452 1.00 0.00 C ATOM 1026 O TYR A 66 5.109 0.041 -13.133 1.00 0.00 O ATOM 1027 CB TYR A 66 2.501 -1.665 -12.300 1.00 0.00 C ATOM 1028 CG TYR A 66 1.032 -2.049 -12.248 1.00 0.00 C ATOM 1029 CD1 TYR A 66 0.310 -2.265 -13.439 1.00 0.00 C ATOM 1030 CD2 TYR A 66 0.367 -2.115 -11.006 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -1.084 -2.441 -13.397 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -1.022 -2.323 -10.956 1.00 0.00 C ATOM 1033 CZ TYR A 66 -1.759 -2.429 -12.155 1.00 0.00 C ATOM 1034 OH TYR A 66 -3.119 -2.442 -12.134 1.00 0.00 O ATOM 0 H TYR A 66 2.558 -1.102 -14.736 1.00 0.00 H new ATOM 0 HA TYR A 66 1.972 0.369 -12.353 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.032 -2.374 -12.935 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.927 -1.751 -11.300 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.829 -2.295 -14.386 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.928 -2.005 -10.089 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.639 -2.585 -14.312 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.524 -2.401 -10.003 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.431 -2.583 -11.216 1.00 0.00 H new ATOM 1044 N THR A 67 4.185 1.085 -11.369 1.00 0.00 N ATOM 1045 CA THR A 67 5.342 1.901 -11.010 1.00 0.00 C ATOM 1046 C THR A 67 6.064 1.393 -9.756 1.00 0.00 C ATOM 1047 O THR A 67 7.125 1.922 -9.417 1.00 0.00 O ATOM 1048 CB THR A 67 4.874 3.363 -10.849 1.00 0.00 C ATOM 1049 OG1 THR A 67 3.662 3.424 -10.114 1.00 0.00 O ATOM 1050 CG2 THR A 67 4.624 4.023 -12.209 1.00 0.00 C ATOM 0 H THR A 67 3.418 1.161 -10.701 1.00 0.00 H new ATOM 0 HA THR A 67 6.080 1.833 -11.809 1.00 0.00 H new ATOM 0 HB THR A 67 5.669 3.890 -10.322 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.382 4.359 -10.021 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.296 5.052 -12.059 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.546 4.017 -12.791 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.853 3.470 -12.745 1.00 0.00 H new ATOM 1058 N HIS A 68 5.535 0.364 -9.080 1.00 0.00 N ATOM 1059 CA HIS A 68 6.100 -0.144 -7.828 1.00 0.00 C ATOM 1060 C HIS A 68 6.083 -1.675 -7.774 1.00 0.00 C ATOM 1061 O HIS A 68 6.023 -2.275 -6.701 1.00 0.00 O ATOM 1062 CB HIS A 68 5.374 0.523 -6.645 1.00 0.00 C ATOM 1063 CG HIS A 68 6.274 0.866 -5.488 1.00 0.00 C ATOM 1064 ND1 HIS A 68 6.372 0.210 -4.281 1.00 0.00 N ATOM 1065 CD2 HIS A 68 7.093 1.960 -5.420 1.00 0.00 C ATOM 1066 CE1 HIS A 68 7.235 0.888 -3.509 1.00 0.00 C ATOM 1067 NE2 HIS A 68 7.713 1.966 -4.161 1.00 0.00 N ATOM 0 H HIS A 68 4.703 -0.138 -9.388 1.00 0.00 H new ATOM 0 HA HIS A 68 7.155 0.122 -7.765 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.889 1.433 -6.997 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.586 -0.143 -6.294 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.237 2.692 -6.200 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.509 0.608 -2.503 1.00 0.00 H new ATOM 0 HE2 HIS A 68 8.387 2.647 -3.811 1.00 0.00 H new ATOM 1075 N VAL A 69 6.126 -2.314 -8.945 1.00 0.00 N ATOM 1076 CA VAL A 69 6.189 -3.769 -9.066 1.00 0.00 C ATOM 1077 C VAL A 69 7.435 -4.263 -8.323 1.00 0.00 C ATOM 1078 O VAL A 69 8.483 -3.608 -8.350 1.00 0.00 O ATOM 1079 CB VAL A 69 6.220 -4.195 -10.552 1.00 0.00 C ATOM 1080 CG1 VAL A 69 6.090 -5.718 -10.702 1.00 0.00 C ATOM 1081 CG2 VAL A 69 5.090 -3.549 -11.365 1.00 0.00 C ATOM 0 H VAL A 69 6.118 -1.830 -9.843 1.00 0.00 H new ATOM 0 HA VAL A 69 5.299 -4.217 -8.623 1.00 0.00 H new ATOM 0 HB VAL A 69 7.183 -3.857 -10.934 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.115 -5.983 -11.759 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.916 -6.206 -10.185 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.146 -6.047 -10.268 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.154 -3.878 -12.402 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.127 -3.845 -10.949 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.186 -2.464 -11.323 1.00 0.00 H new ATOM 1091 N GLU A 70 7.345 -5.440 -7.710 1.00 0.00 N ATOM 1092 CA GLU A 70 8.467 -6.112 -7.085 1.00 0.00 C ATOM 1093 C GLU A 70 8.395 -7.576 -7.501 1.00 0.00 C ATOM 1094 O GLU A 70 7.309 -8.155 -7.554 1.00 0.00 O ATOM 1095 CB GLU A 70 8.382 -5.929 -5.562 1.00 0.00 C ATOM 1096 CG GLU A 70 9.683 -6.363 -4.884 1.00 0.00 C ATOM 1097 CD GLU A 70 9.685 -6.019 -3.388 1.00 0.00 C ATOM 1098 OE1 GLU A 70 8.967 -6.690 -2.615 1.00 0.00 O ATOM 1099 OE2 GLU A 70 10.418 -5.092 -2.972 1.00 0.00 O ATOM 0 H GLU A 70 6.470 -5.959 -7.635 1.00 0.00 H new ATOM 0 HA GLU A 70 9.425 -5.699 -7.399 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.177 -4.884 -5.329 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.550 -6.513 -5.168 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.819 -7.437 -5.011 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.528 -5.875 -5.371 1.00 0.00 H new ATOM 1106 N ASN A 71 9.539 -8.184 -7.811 1.00 0.00 N ATOM 1107 CA ASN A 71 9.599 -9.620 -8.038 1.00 0.00 C ATOM 1108 C ASN A 71 10.004 -10.278 -6.726 1.00 0.00 C ATOM 1109 O ASN A 71 10.992 -9.864 -6.115 1.00 0.00 O ATOM 1110 CB ASN A 71 10.606 -9.956 -9.142 1.00 0.00 C ATOM 1111 CG ASN A 71 10.595 -11.456 -9.374 1.00 0.00 C ATOM 1112 OD1 ASN A 71 11.330 -12.202 -8.739 1.00 0.00 O ATOM 1113 ND2 ASN A 71 9.711 -11.935 -10.227 1.00 0.00 N ATOM 0 H ASN A 71 10.433 -7.703 -7.910 1.00 0.00 H new ATOM 0 HA ASN A 71 8.627 -9.989 -8.365 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.348 -9.430 -10.061 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.604 -9.626 -8.855 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.631 -12.942 -10.367 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.107 -11.298 -10.747 1.00 0.00 H new ATOM 1120 N ALA A 72 9.262 -11.304 -6.311 1.00 0.00 N ATOM 1121 CA ALA A 72 9.489 -12.022 -5.063 1.00 0.00 C ATOM 1122 C ALA A 72 9.857 -13.493 -5.327 1.00 0.00 C ATOM 1123 O ALA A 72 9.733 -14.329 -4.434 1.00 0.00 O ATOM 1124 CB ALA A 72 8.265 -11.849 -4.154 1.00 0.00 C ATOM 0 H ALA A 72 8.471 -11.664 -6.845 1.00 0.00 H new ATOM 0 HA ALA A 72 10.348 -11.601 -4.540 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.428 -12.384 -3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.114 -10.790 -3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.382 -12.250 -4.652 1.00 0.00 H new ATOM 1130 N GLY A 73 10.319 -13.817 -6.541 1.00 0.00 N ATOM 1131 CA GLY A 73 10.801 -15.140 -6.905 1.00 0.00 C ATOM 1132 C GLY A 73 9.665 -16.151 -6.877 1.00 0.00 C ATOM 1133 O GLY A 73 8.728 -16.055 -7.677 1.00 0.00 O ATOM 0 H GLY A 73 10.366 -13.147 -7.309 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.244 -15.110 -7.901 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.587 -15.449 -6.216 1.00 0.00 H new ATOM 1137 N GLY A 74 9.738 -17.113 -5.961 1.00 0.00 N ATOM 1138 CA GLY A 74 8.746 -18.155 -5.822 1.00 0.00 C ATOM 1139 C GLY A 74 8.894 -18.884 -4.499 1.00 0.00 C ATOM 1140 O GLY A 74 9.832 -18.631 -3.741 1.00 0.00 O ATOM 0 H GLY A 74 10.502 -17.184 -5.289 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.748 -17.722 -5.891 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.843 -18.865 -6.644 1.00 0.00 H new ATOM 1144 N LEU A 75 7.965 -19.802 -4.222 1.00 0.00 N ATOM 1145 CA LEU A 75 7.776 -20.433 -2.910 1.00 0.00 C ATOM 1146 C LEU A 75 9.054 -21.036 -2.332 1.00 0.00 C ATOM 1147 O LEU A 75 9.197 -21.094 -1.109 1.00 0.00 O ATOM 1148 CB LEU A 75 6.729 -21.568 -2.980 1.00 0.00 C ATOM 1149 CG LEU A 75 5.255 -21.209 -3.228 1.00 0.00 C ATOM 1150 CD1 LEU A 75 4.722 -20.178 -2.230 1.00 0.00 C ATOM 1151 CD2 LEU A 75 5.022 -20.708 -4.653 1.00 0.00 C ATOM 0 H LEU A 75 7.304 -20.138 -4.923 1.00 0.00 H new ATOM 0 HA LEU A 75 7.442 -19.623 -2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.038 -22.252 -3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.780 -22.120 -2.042 1.00 0.00 H new ATOM 0 HG LEU A 75 4.701 -22.137 -3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.677 -19.962 -2.453 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.803 -20.575 -1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.306 -19.261 -2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.968 -20.466 -4.786 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.624 -19.816 -4.828 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.308 -21.484 -5.363 1.00 0.00 H new ATOM 1163 N LYS A 76 9.955 -21.501 -3.198 1.00 0.00 N ATOM 1164 CA LYS A 76 11.203 -22.156 -2.818 1.00 0.00 C ATOM 1165 C LYS A 76 12.230 -21.183 -2.229 1.00 0.00 C ATOM 1166 O LYS A 76 13.200 -21.637 -1.622 1.00 0.00 O ATOM 1167 CB LYS A 76 11.778 -22.869 -4.057 1.00 0.00 C ATOM 1168 CG LYS A 76 10.893 -24.040 -4.524 1.00 0.00 C ATOM 1169 CD LYS A 76 11.266 -24.495 -5.940 1.00 0.00 C ATOM 1170 CE LYS A 76 10.443 -25.732 -6.324 1.00 0.00 C ATOM 1171 NZ LYS A 76 10.562 -26.062 -7.765 1.00 0.00 N ATOM 0 H LYS A 76 9.832 -21.430 -4.208 1.00 0.00 H new ATOM 0 HA LYS A 76 10.985 -22.876 -2.029 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.884 -22.151 -4.870 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.777 -23.241 -3.828 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.999 -24.876 -3.832 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.846 -23.738 -4.502 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.081 -23.689 -6.651 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.330 -24.726 -5.989 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.773 -26.584 -5.730 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.395 -25.559 -6.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.322 -27.063 -7.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.910 -25.465 -8.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.538 -25.890 -8.081 1.00 0.00 H new ATOM 1185 N ASP A 77 12.036 -19.872 -2.390 1.00 0.00 N ATOM 1186 CA ASP A 77 12.986 -18.834 -1.979 1.00 0.00 C ATOM 1187 C ASP A 77 12.335 -17.781 -1.074 1.00 0.00 C ATOM 1188 O ASP A 77 13.040 -17.050 -0.376 1.00 0.00 O ATOM 1189 CB ASP A 77 13.575 -18.176 -3.234 1.00 0.00 C ATOM 1190 CG ASP A 77 14.621 -17.102 -2.888 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.714 -17.455 -2.388 1.00 0.00 O ATOM 1192 OD2 ASP A 77 14.381 -15.905 -3.165 1.00 0.00 O ATOM 0 H ASP A 77 11.193 -19.493 -2.821 1.00 0.00 H new ATOM 0 HA ASP A 77 13.778 -19.302 -1.395 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.034 -18.940 -3.862 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.772 -17.725 -3.817 1.00 0.00 H new ATOM 1197 N ILE A 78 10.999 -17.712 -1.045 1.00 0.00 N ATOM 1198 CA ILE A 78 10.259 -16.788 -0.182 1.00 0.00 C ATOM 1199 C ILE A 78 10.526 -17.158 1.287 1.00 0.00 C ATOM 1200 O ILE A 78 10.593 -18.339 1.641 1.00 0.00 O ATOM 1201 CB ILE A 78 8.757 -16.778 -0.572 1.00 0.00 C ATOM 1202 CG1 ILE A 78 8.611 -16.114 -1.958 1.00 0.00 C ATOM 1203 CG2 ILE A 78 7.873 -16.033 0.447 1.00 0.00 C ATOM 1204 CD1 ILE A 78 7.240 -16.283 -2.615 1.00 0.00 C ATOM 0 H ILE A 78 10.399 -18.300 -1.624 1.00 0.00 H new ATOM 0 HA ILE A 78 10.602 -15.762 -0.318 1.00 0.00 H new ATOM 0 HB ILE A 78 8.415 -17.813 -0.589 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.820 -15.049 -1.858 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.369 -16.527 -2.623 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.834 -16.062 0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.958 -16.513 1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.201 -14.996 0.524 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.236 -15.783 -3.583 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.031 -17.344 -2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.474 -15.843 -1.976 1.00 0.00 H new ATOM 1216 N ALA A 79 10.637 -16.135 2.139 1.00 0.00 N ATOM 1217 CA ALA A 79 10.924 -16.233 3.568 1.00 0.00 C ATOM 1218 C ALA A 79 9.777 -15.557 4.330 1.00 0.00 C ATOM 1219 O ALA A 79 9.966 -14.579 5.056 1.00 0.00 O ATOM 1220 CB ALA A 79 12.307 -15.631 3.859 1.00 0.00 C ATOM 0 H ALA A 79 10.523 -15.169 1.833 1.00 0.00 H new ATOM 0 HA ALA A 79 10.975 -17.269 3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 79 12.519 -15.705 4.926 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.067 -16.177 3.299 1.00 0.00 H new ATOM 0 HB3 ALA A 79 12.318 -14.583 3.559 1.00 0.00 H new ATOM 1226 N MET A 80 8.563 -16.050 4.083 1.00 0.00 N ATOM 1227 CA MET A 80 7.292 -15.529 4.574 1.00 0.00 C ATOM 1228 C MET A 80 6.414 -16.764 4.832 1.00 0.00 C ATOM 1229 O MET A 80 6.537 -17.732 4.069 1.00 0.00 O ATOM 1230 CB MET A 80 6.707 -14.603 3.486 1.00 0.00 C ATOM 1231 CG MET A 80 5.650 -13.598 3.952 1.00 0.00 C ATOM 1232 SD MET A 80 3.991 -14.243 4.301 1.00 0.00 S ATOM 1233 CE MET A 80 3.157 -12.711 4.785 1.00 0.00 C ATOM 0 H MET A 80 8.436 -16.876 3.498 1.00 0.00 H new ATOM 0 HA MET A 80 7.375 -14.942 5.489 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.528 -14.050 3.029 1.00 0.00 H new ATOM 0 HB3 MET A 80 6.268 -15.225 2.706 1.00 0.00 H new ATOM 0 HG2 MET A 80 6.020 -13.112 4.855 1.00 0.00 H new ATOM 0 HG3 MET A 80 5.559 -12.825 3.189 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.118 -12.926 5.035 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.658 -12.283 5.653 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.192 -12.001 3.959 1.00 0.00 H new ATOM 1243 N PRO A 81 5.584 -16.793 5.893 1.00 0.00 N ATOM 1244 CA PRO A 81 4.784 -17.965 6.235 1.00 0.00 C ATOM 1245 C PRO A 81 3.881 -18.430 5.086 1.00 0.00 C ATOM 1246 O PRO A 81 3.469 -17.654 4.218 1.00 0.00 O ATOM 1247 CB PRO A 81 3.997 -17.601 7.502 1.00 0.00 C ATOM 1248 CG PRO A 81 4.090 -16.079 7.586 1.00 0.00 C ATOM 1249 CD PRO A 81 5.435 -15.781 6.928 1.00 0.00 C ATOM 0 HA PRO A 81 5.429 -18.824 6.420 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.961 -17.932 7.434 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.426 -18.074 8.385 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.267 -15.595 7.060 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.059 -15.729 8.618 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.452 -14.777 6.503 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.248 -15.835 7.652 1.00 0.00 H new ATOM 1257 N LYS A 82 3.549 -19.721 5.107 1.00 0.00 N ATOM 1258 CA LYS A 82 2.791 -20.388 4.056 1.00 0.00 C ATOM 1259 C LYS A 82 1.429 -20.815 4.589 1.00 0.00 C ATOM 1260 O LYS A 82 1.203 -20.874 5.800 1.00 0.00 O ATOM 1261 CB LYS A 82 3.545 -21.642 3.563 1.00 0.00 C ATOM 1262 CG LYS A 82 4.994 -21.448 3.090 1.00 0.00 C ATOM 1263 CD LYS A 82 5.126 -20.501 1.885 1.00 0.00 C ATOM 1264 CE LYS A 82 6.573 -20.342 1.376 1.00 0.00 C ATOM 1265 NZ LYS A 82 7.208 -21.623 0.972 1.00 0.00 N ATOM 0 H LYS A 82 3.807 -20.343 5.873 1.00 0.00 H new ATOM 0 HA LYS A 82 2.665 -19.689 3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.548 -22.374 4.371 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.976 -22.077 2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.588 -21.057 3.916 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.415 -22.419 2.827 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.503 -20.874 1.072 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.738 -19.521 2.161 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.577 -19.661 0.525 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.175 -19.879 2.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.900 -21.444 0.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.691 -22.044 1.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.478 -22.278 0.626 1.00 0.00 H new ATOM 1279 N VAL A 83 0.558 -21.187 3.664 1.00 0.00 N ATOM 1280 CA VAL A 83 -0.701 -21.875 3.884 1.00 0.00 C ATOM 1281 C VAL A 83 -0.649 -23.023 2.874 1.00 0.00 C ATOM 1282 O VAL A 83 -0.137 -22.850 1.763 1.00 0.00 O ATOM 1283 CB VAL A 83 -1.880 -20.900 3.679 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -3.239 -21.607 3.793 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -1.850 -19.759 4.712 1.00 0.00 C ATOM 0 H VAL A 83 0.725 -21.003 2.675 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.848 -22.255 4.895 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.764 -20.498 2.673 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.040 -20.883 3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.308 -22.387 3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.335 -22.053 4.783 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.693 -19.090 4.540 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.917 -20.176 5.717 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.919 -19.202 4.612 1.00 0.00 H new ATOM 1295 N LYS A 84 -1.115 -24.209 3.264 1.00 0.00 N ATOM 1296 CA LYS A 84 -0.934 -25.445 2.506 1.00 0.00 C ATOM 1297 C LYS A 84 -2.278 -26.160 2.395 1.00 0.00 C ATOM 1298 O LYS A 84 -3.135 -26.003 3.271 1.00 0.00 O ATOM 1299 CB LYS A 84 0.098 -26.344 3.213 1.00 0.00 C ATOM 1300 CG LYS A 84 1.536 -25.785 3.278 1.00 0.00 C ATOM 1301 CD LYS A 84 2.379 -26.681 4.204 1.00 0.00 C ATOM 1302 CE LYS A 84 3.832 -26.215 4.378 1.00 0.00 C ATOM 1303 NZ LYS A 84 4.709 -26.591 3.242 1.00 0.00 N ATOM 0 H LYS A 84 -1.638 -24.339 4.130 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.564 -25.217 1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.246 -26.531 4.230 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.124 -27.307 2.703 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.974 -25.756 2.280 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.526 -24.761 3.652 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.903 -26.722 5.184 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.380 -27.696 3.807 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.847 -25.132 4.496 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.236 -26.642 5.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.703 -26.433 3.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.567 -27.595 3.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.473 -26.009 2.413 1.00 0.00 H new ATOM 1317 N GLY A 85 -2.457 -26.935 1.325 1.00 0.00 N ATOM 1318 CA GLY A 85 -3.619 -27.789 1.125 1.00 0.00 C ATOM 1319 C GLY A 85 -3.769 -28.754 2.296 1.00 0.00 C ATOM 1320 O GLY A 85 -2.765 -29.389 2.680 1.00 0.00 O ATOM 1321 OXT GLY A 85 -4.892 -28.883 2.823 1.00 0.00 O ATOM 0 H GLY A 85 -1.783 -26.985 0.561 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.517 -27.178 1.030 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.514 -28.347 0.195 1.00 0.00 H new TER 1325 GLY A 85