USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 794 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 NoAdj-H: A 59 HIS HE2 : A 59 HIS NE2 : A 110 ZNZN :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 108 ZNZN :(H bumps) USER MOD NoAdj-H: A 71 HIS HD1 : A 71 HIS ND1 : A 110 ZNZN :(H bumps) USER MOD Set 1.1: A 99 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 107 GLN : amide:sc= 0.635 K(o=0.63,f=0) USER MOD Set 2.1: A 12 ASN : amide:sc= 0.95 K(o=1.8,f=-6.2!) USER MOD Set 2.2: A 93 LYS NZ :NH3+ -146:sc= 0.858 (180deg=-0.513) USER MOD Set 3.1: A 82 GLN : amide:sc= 0 X(o=0,f=0.074) USER MOD Set 3.2: A 84 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 74 THR OG1 : rot -64:sc= 0.983 USER MOD Set 4.2: A 85 THR OG1 : rot 180:sc= 0.851 USER MOD Set 5.1: A 20 ASN : amide:sc= 0.727 K(o=2.7,f=-2.1) USER MOD Set 5.2: A 44 LYS NZ :NH3+ -144:sc= 2.01 (180deg=1.22) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.974 K(o=0.97,f=-1.2) USER MOD Single : A 16 THR OG1 : rot 88:sc= 0.523 USER MOD Single : A 17 CYS SG : rot 60:sc= 0.242 USER MOD Single : A 22 SER OG : rot 22:sc= 0.166 USER MOD Single : A 26 ASN : amide:sc= 2.19 K(o=2.2,f=-8!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -48:sc= 0.112 USER MOD Single : A 35 LYS NZ :NH3+ -145:sc= 0.133 (180deg=0) USER MOD Single : A 39 MET CE :methyl -156:sc=-0.00573 (180deg=-1.15) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 2.08 K(o=2.1,f=-0.091) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= 1.09 (180deg=1.07) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0.109 X(o=0.11,f=-0.12) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot -28:sc= 0.0321 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 172:sc= 0 (180deg=-0.101) USER MOD Single : A 86 MET CE :methyl -167:sc=-0.00506 (180deg=-0.317) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 2 -1.129 14.923 -8.629 1.00 0.00 N ATOM 2 CA CYS A 2 -0.656 15.394 -9.920 1.00 0.00 C ATOM 3 C CYS A 2 0.762 14.879 -10.267 1.00 0.00 C ATOM 4 O CYS A 2 1.378 15.314 -11.246 1.00 0.00 O ATOM 5 CB CYS A 2 -0.858 16.938 -10.011 1.00 0.00 C ATOM 6 SG CYS A 2 -0.778 17.908 -8.438 1.00 0.00 S ATOM 0 HA CYS A 2 -1.261 14.957 -10.715 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -0.103 17.336 -10.689 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -1.829 17.123 -10.470 1.00 0.00 H new ATOM 11 N GLY A 3 1.289 13.950 -9.459 1.00 0.00 N ATOM 12 CA GLY A 3 2.629 13.355 -9.556 1.00 0.00 C ATOM 13 C GLY A 3 3.718 14.321 -9.081 1.00 0.00 C ATOM 14 O GLY A 3 4.670 13.903 -8.427 1.00 0.00 O ATOM 0 H GLY A 3 0.760 13.571 -8.673 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.666 12.444 -8.959 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.824 13.067 -10.589 1.00 0.00 H new ATOM 18 N ASP A 4 3.538 15.626 -9.306 1.00 0.00 N ATOM 19 CA ASP A 4 4.392 16.661 -8.719 1.00 0.00 C ATOM 20 C ASP A 4 4.219 16.678 -7.181 1.00 0.00 C ATOM 21 O ASP A 4 5.105 17.164 -6.473 1.00 0.00 O ATOM 22 CB ASP A 4 4.074 18.027 -9.338 1.00 0.00 C ATOM 23 CG ASP A 4 4.700 18.187 -10.734 1.00 0.00 C ATOM 24 OD1 ASP A 4 5.951 18.234 -10.833 1.00 0.00 O ATOM 25 OD2 ASP A 4 3.954 18.298 -11.737 1.00 0.00 O ATOM 0 H ASP A 4 2.795 15.994 -9.901 1.00 0.00 H new ATOM 0 HA ASP A 4 5.436 16.435 -8.938 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.993 18.150 -9.409 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.442 18.816 -8.683 1.00 0.00 H new ATOM 30 N CYS A 5 3.112 16.107 -6.671 1.00 0.00 N ATOM 31 CA CYS A 5 2.807 15.933 -5.253 1.00 0.00 C ATOM 32 C CYS A 5 3.833 15.040 -4.512 1.00 0.00 C ATOM 33 O CYS A 5 3.976 15.146 -3.292 1.00 0.00 O ATOM 34 CB CYS A 5 1.419 15.266 -5.080 1.00 0.00 C ATOM 35 SG CYS A 5 -0.017 16.186 -5.728 1.00 0.00 S ATOM 0 H CYS A 5 2.375 15.739 -7.272 1.00 0.00 H new ATOM 0 HA CYS A 5 2.835 16.934 -4.824 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.447 14.291 -5.567 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.257 15.087 -4.017 1.00 0.00 H new ATOM 40 N VAL A 6 4.521 14.126 -5.216 1.00 0.00 N ATOM 41 CA VAL A 6 5.444 13.134 -4.628 1.00 0.00 C ATOM 42 C VAL A 6 6.908 13.416 -5.022 1.00 0.00 C ATOM 43 O VAL A 6 7.201 13.759 -6.169 1.00 0.00 O ATOM 44 CB VAL A 6 5.019 11.687 -4.982 1.00 0.00 C ATOM 45 CG1 VAL A 6 3.558 11.409 -4.594 1.00 0.00 C ATOM 46 CG2 VAL A 6 5.165 11.274 -6.451 1.00 0.00 C ATOM 0 H VAL A 6 4.451 14.052 -6.231 1.00 0.00 H new ATOM 0 HA VAL A 6 5.382 13.232 -3.544 1.00 0.00 H new ATOM 0 HB VAL A 6 5.727 11.097 -4.400 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.300 10.384 -4.859 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.434 11.548 -3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.903 12.098 -5.127 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.836 10.242 -6.573 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.553 11.926 -7.075 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.209 11.360 -6.751 1.00 0.00 H new ATOM 56 N GLU A 7 7.853 13.270 -4.086 1.00 0.00 N ATOM 57 CA GLU A 7 9.297 13.456 -4.323 1.00 0.00 C ATOM 58 C GLU A 7 9.840 12.399 -5.308 1.00 0.00 C ATOM 59 O GLU A 7 10.644 12.722 -6.188 1.00 0.00 O ATOM 60 CB GLU A 7 10.055 13.459 -2.977 1.00 0.00 C ATOM 61 CG GLU A 7 11.578 13.510 -3.128 1.00 0.00 C ATOM 62 CD GLU A 7 12.273 13.802 -1.783 1.00 0.00 C ATOM 63 OE1 GLU A 7 12.428 14.994 -1.421 1.00 0.00 O ATOM 64 OE2 GLU A 7 12.702 12.842 -1.096 1.00 0.00 O ATOM 0 H GLU A 7 7.636 13.014 -3.123 1.00 0.00 H new ATOM 0 HA GLU A 7 9.460 14.425 -4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.728 14.316 -2.388 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.784 12.565 -2.416 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.937 12.560 -3.525 1.00 0.00 H new ATOM 0 HG3 GLU A 7 11.847 14.280 -3.852 1.00 0.00 H new ATOM 71 N LYS A 8 9.355 11.154 -5.198 1.00 0.00 N ATOM 72 CA LYS A 8 9.649 10.017 -6.082 1.00 0.00 C ATOM 73 C LYS A 8 8.357 9.259 -6.382 1.00 0.00 C ATOM 74 O LYS A 8 7.499 9.116 -5.509 1.00 0.00 O ATOM 75 CB LYS A 8 10.666 9.068 -5.419 1.00 0.00 C ATOM 76 CG LYS A 8 12.073 9.678 -5.313 1.00 0.00 C ATOM 77 CD LYS A 8 13.065 8.687 -4.692 1.00 0.00 C ATOM 78 CE LYS A 8 14.448 9.340 -4.577 1.00 0.00 C ATOM 79 NZ LYS A 8 15.447 8.413 -3.979 1.00 0.00 N ATOM 0 H LYS A 8 8.712 10.899 -4.449 1.00 0.00 H new ATOM 0 HA LYS A 8 10.078 10.393 -7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.313 8.805 -4.422 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.719 8.143 -5.992 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.420 9.971 -6.304 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.034 10.584 -4.708 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.716 8.378 -3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.127 7.788 -5.305 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.787 9.651 -5.565 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.376 10.240 -3.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.369 8.889 -3.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.136 8.136 -3.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.534 7.565 -4.575 1.00 0.00 H new ATOM 93 N GLU A 9 8.232 8.744 -7.603 1.00 0.00 N ATOM 94 CA GLU A 9 7.101 7.912 -8.032 1.00 0.00 C ATOM 95 C GLU A 9 7.328 6.464 -7.569 1.00 0.00 C ATOM 96 O GLU A 9 8.362 5.872 -7.890 1.00 0.00 O ATOM 97 CB GLU A 9 6.987 7.944 -9.570 1.00 0.00 C ATOM 98 CG GLU A 9 6.305 9.208 -10.104 1.00 0.00 C ATOM 99 CD GLU A 9 6.894 9.630 -11.465 1.00 0.00 C ATOM 100 OE1 GLU A 9 6.386 9.177 -12.520 1.00 0.00 O ATOM 101 OE2 GLU A 9 7.872 10.416 -11.490 1.00 0.00 O ATOM 0 H GLU A 9 8.924 8.893 -8.338 1.00 0.00 H new ATOM 0 HA GLU A 9 6.181 8.298 -7.592 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.985 7.868 -10.002 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.428 7.070 -9.904 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.235 9.030 -10.208 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.425 10.019 -9.386 1.00 0.00 H new ATOM 108 N TYR A 10 6.370 5.889 -6.830 1.00 0.00 N ATOM 109 CA TYR A 10 6.425 4.516 -6.297 1.00 0.00 C ATOM 110 C TYR A 10 7.781 4.162 -5.647 1.00 0.00 C ATOM 111 O TYR A 10 8.461 3.224 -6.083 1.00 0.00 O ATOM 112 CB TYR A 10 5.990 3.490 -7.359 1.00 0.00 C ATOM 113 CG TYR A 10 4.631 3.717 -8.000 1.00 0.00 C ATOM 114 CD1 TYR A 10 4.445 4.751 -8.942 1.00 0.00 C ATOM 115 CD2 TYR A 10 3.545 2.886 -7.654 1.00 0.00 C ATOM 116 CE1 TYR A 10 3.180 4.979 -9.505 1.00 0.00 C ATOM 117 CE2 TYR A 10 2.272 3.117 -8.213 1.00 0.00 C ATOM 118 CZ TYR A 10 2.086 4.163 -9.144 1.00 0.00 C ATOM 119 OH TYR A 10 0.860 4.396 -9.688 1.00 0.00 O ATOM 0 H TYR A 10 5.511 6.377 -6.578 1.00 0.00 H new ATOM 0 HA TYR A 10 5.704 4.470 -5.481 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.742 3.475 -8.148 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.990 2.502 -6.900 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.281 5.370 -9.231 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.689 2.071 -6.960 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.043 5.780 -10.216 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.437 2.493 -7.929 1.00 0.00 H new ATOM 0 HH TYR A 10 0.217 3.746 -9.336 1.00 0.00 H new ATOM 129 N PRO A 11 8.198 4.910 -4.604 1.00 0.00 N ATOM 130 CA PRO A 11 9.470 4.696 -3.918 1.00 0.00 C ATOM 131 C PRO A 11 9.528 3.317 -3.250 1.00 0.00 C ATOM 132 O PRO A 11 8.525 2.843 -2.720 1.00 0.00 O ATOM 133 CB PRO A 11 9.541 5.816 -2.873 1.00 0.00 C ATOM 134 CG PRO A 11 8.082 6.140 -2.586 1.00 0.00 C ATOM 135 CD PRO A 11 7.467 6.007 -3.973 1.00 0.00 C ATOM 0 HA PRO A 11 10.311 4.720 -4.611 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.063 5.491 -1.973 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.076 6.686 -3.255 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.640 5.445 -1.872 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.957 7.142 -2.175 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.401 5.789 -3.913 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.572 6.931 -4.542 1.00 0.00 H new ATOM 143 N ASN A 12 10.690 2.666 -3.221 1.00 0.00 N ATOM 144 CA ASN A 12 10.818 1.384 -2.518 1.00 0.00 C ATOM 145 C ASN A 12 10.883 1.644 -1.000 1.00 0.00 C ATOM 146 O ASN A 12 11.470 2.640 -0.559 1.00 0.00 O ATOM 147 CB ASN A 12 12.053 0.621 -3.033 1.00 0.00 C ATOM 148 CG ASN A 12 11.936 0.120 -4.467 1.00 0.00 C ATOM 149 OD1 ASN A 12 10.938 0.278 -5.160 1.00 0.00 O ATOM 150 ND2 ASN A 12 12.973 -0.510 -4.970 1.00 0.00 N ATOM 0 H ASN A 12 11.546 2.996 -3.668 1.00 0.00 H new ATOM 0 HA ASN A 12 9.949 0.756 -2.715 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.923 1.273 -2.960 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.237 -0.231 -2.378 1.00 0.00 H new ATOM 0 HD21 ASN A 12 12.941 -0.861 -5.927 1.00 0.00 H new ATOM 0 HD22 ASN A 12 13.810 -0.648 -4.403 1.00 0.00 H new ATOM 157 N ARG A 13 10.273 0.768 -0.188 1.00 0.00 N ATOM 158 CA ARG A 13 10.165 0.927 1.280 1.00 0.00 C ATOM 159 C ARG A 13 10.824 -0.191 2.092 1.00 0.00 C ATOM 160 O ARG A 13 10.353 -0.541 3.174 1.00 0.00 O ATOM 161 CB ARG A 13 8.691 1.140 1.680 1.00 0.00 C ATOM 162 CG ARG A 13 7.949 2.295 0.991 1.00 0.00 C ATOM 163 CD ARG A 13 8.657 3.660 0.988 1.00 0.00 C ATOM 164 NE ARG A 13 9.159 4.050 2.322 1.00 0.00 N ATOM 165 CZ ARG A 13 10.400 4.354 2.664 1.00 0.00 C ATOM 166 NH1 ARG A 13 11.403 4.294 1.831 1.00 0.00 N ATOM 167 NH2 ARG A 13 10.666 4.723 3.883 1.00 0.00 N ATOM 0 H ARG A 13 9.833 -0.085 -0.532 1.00 0.00 H new ATOM 0 HA ARG A 13 10.740 1.817 1.537 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.147 0.217 1.478 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.651 1.304 2.757 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.756 2.008 -0.043 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.980 2.415 1.475 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.490 3.630 0.286 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.965 4.422 0.629 1.00 0.00 H new ATOM 0 HE ARG A 13 8.465 4.090 3.069 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.248 4.002 0.866 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.342 4.539 2.145 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.918 4.778 4.574 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.623 4.958 4.148 1.00 0.00 H new ATOM 181 N GLY A 14 11.891 -0.783 1.556 1.00 0.00 N ATOM 182 CA GLY A 14 12.627 -1.877 2.212 1.00 0.00 C ATOM 183 C GLY A 14 11.734 -3.070 2.579 1.00 0.00 C ATOM 184 O GLY A 14 11.909 -3.672 3.638 1.00 0.00 O ATOM 0 H GLY A 14 12.276 -0.519 0.649 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.424 -2.218 1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.103 -1.496 3.116 1.00 0.00 H new ATOM 188 N ASN A 15 10.765 -3.364 1.700 1.00 0.00 N ATOM 189 CA ASN A 15 9.760 -4.435 1.761 1.00 0.00 C ATOM 190 C ASN A 15 8.500 -4.098 2.608 1.00 0.00 C ATOM 191 O ASN A 15 7.654 -4.970 2.816 1.00 0.00 O ATOM 192 CB ASN A 15 10.380 -5.797 2.160 1.00 0.00 C ATOM 193 CG ASN A 15 11.567 -6.306 1.351 1.00 0.00 C ATOM 194 OD1 ASN A 15 12.202 -5.621 0.558 1.00 0.00 O ATOM 195 ND2 ASN A 15 11.905 -7.563 1.537 1.00 0.00 N ATOM 0 H ASN A 15 10.655 -2.808 0.852 1.00 0.00 H new ATOM 0 HA ASN A 15 9.392 -4.524 0.739 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.690 -5.730 3.203 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.593 -6.550 2.109 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.691 -7.961 1.023 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.381 -8.140 2.195 1.00 0.00 H new ATOM 202 N THR A 16 8.327 -2.860 3.094 1.00 0.00 N ATOM 203 CA THR A 16 7.160 -2.457 3.911 1.00 0.00 C ATOM 204 C THR A 16 5.877 -2.401 3.070 1.00 0.00 C ATOM 205 O THR A 16 5.792 -1.571 2.166 1.00 0.00 O ATOM 206 CB THR A 16 7.420 -1.080 4.555 1.00 0.00 C ATOM 207 OG1 THR A 16 8.556 -1.136 5.392 1.00 0.00 O ATOM 208 CG2 THR A 16 6.261 -0.570 5.409 1.00 0.00 C ATOM 0 H THR A 16 8.992 -2.103 2.934 1.00 0.00 H new ATOM 0 HA THR A 16 7.022 -3.207 4.690 1.00 0.00 H new ATOM 0 HB THR A 16 7.560 -0.397 3.717 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.360 -0.945 4.865 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.518 0.403 5.828 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.368 -0.474 4.791 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.068 -1.274 6.218 1.00 0.00 H new ATOM 216 N CYS A 17 4.871 -3.243 3.354 1.00 0.00 N ATOM 217 CA CYS A 17 3.598 -3.296 2.625 1.00 0.00 C ATOM 218 C CYS A 17 2.423 -3.023 3.583 1.00 0.00 C ATOM 219 O CYS A 17 2.128 -3.846 4.453 1.00 0.00 O ATOM 220 CB CYS A 17 3.458 -4.672 1.954 1.00 0.00 C ATOM 221 SG CYS A 17 4.851 -5.030 0.845 1.00 0.00 S ATOM 0 H CYS A 17 4.923 -3.921 4.115 1.00 0.00 H new ATOM 0 HA CYS A 17 3.583 -2.525 1.854 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.396 -5.445 2.720 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.526 -4.707 1.390 1.00 0.00 H new ATOM 0 HG CYS A 17 5.959 -5.023 1.524 1.00 0.00 H new ATOM 227 N LEU A 18 1.776 -1.861 3.437 1.00 0.00 N ATOM 228 CA LEU A 18 0.692 -1.360 4.298 1.00 0.00 C ATOM 229 C LEU A 18 -0.626 -1.131 3.550 1.00 0.00 C ATOM 230 O LEU A 18 -0.659 -0.682 2.403 1.00 0.00 O ATOM 231 CB LEU A 18 1.154 -0.040 4.962 1.00 0.00 C ATOM 232 CG LEU A 18 1.871 -0.160 6.319 1.00 0.00 C ATOM 233 CD1 LEU A 18 2.952 -1.234 6.372 1.00 0.00 C ATOM 234 CD2 LEU A 18 2.511 1.183 6.674 1.00 0.00 C ATOM 0 H LEU A 18 2.002 -1.213 2.682 1.00 0.00 H new ATOM 0 HA LEU A 18 0.489 -2.128 5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.821 0.473 4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.280 0.598 5.095 1.00 0.00 H new ATOM 0 HG LEU A 18 1.102 -0.453 7.034 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.403 -1.247 7.364 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.509 -2.207 6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.718 -1.016 5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.020 1.101 7.635 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.232 1.457 5.904 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.738 1.949 6.737 1.00 0.00 H new ATOM 246 N GLU A 19 -1.723 -1.391 4.263 1.00 0.00 N ATOM 247 CA GLU A 19 -3.107 -1.179 3.833 1.00 0.00 C ATOM 248 C GLU A 19 -3.680 0.170 4.298 1.00 0.00 C ATOM 249 O GLU A 19 -4.798 0.502 3.915 1.00 0.00 O ATOM 250 CB GLU A 19 -4.019 -2.312 4.352 1.00 0.00 C ATOM 251 CG GLU A 19 -4.235 -2.402 5.872 1.00 0.00 C ATOM 252 CD GLU A 19 -3.026 -2.977 6.637 1.00 0.00 C ATOM 253 OE1 GLU A 19 -2.069 -2.216 6.917 1.00 0.00 O ATOM 254 OE2 GLU A 19 -3.038 -4.183 6.980 1.00 0.00 O ATOM 0 H GLU A 19 -1.667 -1.776 5.206 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.086 -1.178 2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.995 -2.204 3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.604 -3.261 4.013 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.458 -1.407 6.258 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.108 -3.024 6.070 1.00 0.00 H new ATOM 261 N ASN A 20 -2.962 0.943 5.123 1.00 0.00 N ATOM 262 CA ASN A 20 -3.427 2.226 5.678 1.00 0.00 C ATOM 263 C ASN A 20 -2.318 3.293 5.783 1.00 0.00 C ATOM 264 O ASN A 20 -1.132 2.970 5.901 1.00 0.00 O ATOM 265 CB ASN A 20 -4.018 1.975 7.085 1.00 0.00 C ATOM 266 CG ASN A 20 -5.444 1.451 7.084 1.00 0.00 C ATOM 267 OD1 ASN A 20 -6.318 1.956 6.394 1.00 0.00 O ATOM 268 ND2 ASN A 20 -5.742 0.450 7.880 1.00 0.00 N ATOM 0 H ASN A 20 -2.023 0.691 5.431 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.175 2.618 4.989 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.383 1.262 7.610 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.987 2.907 7.650 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.698 0.098 7.920 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.017 0.025 8.458 1.00 0.00 H new ATOM 275 N GLY A 21 -2.734 4.567 5.807 1.00 0.00 N ATOM 276 CA GLY A 21 -1.873 5.743 5.999 1.00 0.00 C ATOM 277 C GLY A 21 -1.634 6.605 4.752 1.00 0.00 C ATOM 278 O GLY A 21 -2.328 6.489 3.742 1.00 0.00 O ATOM 0 H GLY A 21 -3.716 4.816 5.689 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.315 6.371 6.773 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.907 5.406 6.375 1.00 0.00 H new ATOM 282 N SER A 22 -0.642 7.494 4.862 1.00 0.00 N ATOM 283 CA SER A 22 -0.157 8.431 3.833 1.00 0.00 C ATOM 284 C SER A 22 1.324 8.715 4.107 1.00 0.00 C ATOM 285 O SER A 22 1.698 8.978 5.254 1.00 0.00 O ATOM 286 CB SER A 22 -0.938 9.752 3.885 1.00 0.00 C ATOM 287 OG SER A 22 -2.209 9.605 3.269 1.00 0.00 O ATOM 0 H SER A 22 -0.117 7.588 5.732 1.00 0.00 H new ATOM 0 HA SER A 22 -0.296 7.987 2.847 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.064 10.066 4.921 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.372 10.536 3.381 1.00 0.00 H new ATOM 0 HG SER A 22 -2.463 8.658 3.265 1.00 0.00 H new ATOM 293 N PHE A 23 2.190 8.631 3.093 1.00 0.00 N ATOM 294 CA PHE A 23 3.643 8.784 3.262 1.00 0.00 C ATOM 295 C PHE A 23 4.153 10.230 3.174 1.00 0.00 C ATOM 296 O PHE A 23 4.736 10.665 2.180 1.00 0.00 O ATOM 297 CB PHE A 23 4.369 7.821 2.320 1.00 0.00 C ATOM 298 CG PHE A 23 5.861 7.631 2.555 1.00 0.00 C ATOM 299 CD1 PHE A 23 6.423 7.707 3.846 1.00 0.00 C ATOM 300 CD2 PHE A 23 6.695 7.332 1.461 1.00 0.00 C ATOM 301 CE1 PHE A 23 7.803 7.526 4.029 1.00 0.00 C ATOM 302 CE2 PHE A 23 8.081 7.176 1.640 1.00 0.00 C ATOM 303 CZ PHE A 23 8.640 7.314 2.922 1.00 0.00 C ATOM 0 H PHE A 23 1.906 8.455 2.129 1.00 0.00 H new ATOM 0 HA PHE A 23 3.880 8.512 4.291 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.886 6.846 2.391 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.227 8.173 1.298 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.789 7.905 4.698 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.267 7.221 0.476 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.222 7.550 5.024 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.714 6.951 0.795 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.710 7.257 3.055 1.00 0.00 H new ATOM 313 N LEU A 24 3.927 10.995 4.243 1.00 0.00 N ATOM 314 CA LEU A 24 4.293 12.411 4.348 1.00 0.00 C ATOM 315 C LEU A 24 5.773 12.742 4.049 1.00 0.00 C ATOM 316 O LEU A 24 6.066 13.857 3.615 1.00 0.00 O ATOM 317 CB LEU A 24 3.844 12.966 5.718 1.00 0.00 C ATOM 318 CG LEU A 24 2.357 13.359 5.856 1.00 0.00 C ATOM 319 CD1 LEU A 24 1.984 14.519 4.936 1.00 0.00 C ATOM 320 CD2 LEU A 24 1.371 12.220 5.603 1.00 0.00 C ATOM 0 H LEU A 24 3.472 10.638 5.083 1.00 0.00 H new ATOM 0 HA LEU A 24 3.755 12.917 3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.070 12.218 6.478 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.450 13.843 5.944 1.00 0.00 H new ATOM 0 HG LEU A 24 2.268 13.652 6.902 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.929 14.762 5.066 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.590 15.390 5.185 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.166 14.234 3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.352 12.588 5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.504 11.842 4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.552 11.417 6.317 1.00 0.00 H new ATOM 332 N LEU A 25 6.701 11.791 4.221 1.00 0.00 N ATOM 333 CA LEU A 25 8.124 11.974 3.882 1.00 0.00 C ATOM 334 C LEU A 25 8.384 11.990 2.360 1.00 0.00 C ATOM 335 O LEU A 25 9.418 12.507 1.930 1.00 0.00 O ATOM 336 CB LEU A 25 8.976 10.895 4.578 1.00 0.00 C ATOM 337 CG LEU A 25 9.017 10.982 6.118 1.00 0.00 C ATOM 338 CD1 LEU A 25 9.930 9.888 6.673 1.00 0.00 C ATOM 339 CD2 LEU A 25 9.542 12.326 6.631 1.00 0.00 C ATOM 0 H LEU A 25 6.488 10.869 4.600 1.00 0.00 H new ATOM 0 HA LEU A 25 8.419 12.957 4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.593 9.914 4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.996 10.960 4.199 1.00 0.00 H new ATOM 0 HG LEU A 25 7.988 10.863 6.456 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.956 9.953 7.761 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.548 8.911 6.377 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.937 10.019 6.277 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.546 12.323 7.721 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.556 12.484 6.265 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.898 13.129 6.273 1.00 0.00 H new ATOM 351 N ASN A 26 7.450 11.489 1.540 1.00 0.00 N ATOM 352 CA ASN A 26 7.515 11.534 0.074 1.00 0.00 C ATOM 353 C ASN A 26 6.579 12.626 -0.461 1.00 0.00 C ATOM 354 O ASN A 26 6.900 13.268 -1.455 1.00 0.00 O ATOM 355 CB ASN A 26 7.145 10.157 -0.499 1.00 0.00 C ATOM 356 CG ASN A 26 7.368 10.060 -2.005 1.00 0.00 C ATOM 357 OD1 ASN A 26 8.242 10.682 -2.577 1.00 0.00 O ATOM 358 ND2 ASN A 26 6.611 9.269 -2.718 1.00 0.00 N ATOM 0 H ASN A 26 6.608 11.030 1.887 1.00 0.00 H new ATOM 0 HA ASN A 26 8.530 11.778 -0.240 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.737 9.390 0.001 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.099 9.946 -0.278 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.763 9.188 -3.723 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.868 8.733 -2.269 1.00 0.00 H new ATOM 365 N PHE A 27 5.442 12.871 0.199 1.00 0.00 N ATOM 366 CA PHE A 27 4.529 13.955 -0.184 1.00 0.00 C ATOM 367 C PHE A 27 5.204 15.314 0.042 1.00 0.00 C ATOM 368 O PHE A 27 5.417 15.738 1.181 1.00 0.00 O ATOM 369 CB PHE A 27 3.209 13.880 0.590 1.00 0.00 C ATOM 370 CG PHE A 27 2.170 14.931 0.203 1.00 0.00 C ATOM 371 CD1 PHE A 27 1.690 15.026 -1.120 1.00 0.00 C ATOM 372 CD2 PHE A 27 1.648 15.799 1.183 1.00 0.00 C ATOM 373 CE1 PHE A 27 0.671 15.944 -1.456 1.00 0.00 C ATOM 374 CE2 PHE A 27 0.623 16.705 0.853 1.00 0.00 C ATOM 375 CZ PHE A 27 0.125 16.766 -0.458 1.00 0.00 C ATOM 0 H PHE A 27 5.130 12.330 1.006 1.00 0.00 H new ATOM 0 HA PHE A 27 4.297 13.841 -1.243 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.775 12.891 0.442 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.424 13.978 1.654 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.107 14.389 -1.886 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.036 15.769 2.190 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.315 16.013 -2.473 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.217 17.357 1.613 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.679 17.446 -0.699 1.00 0.00 H new ATOM 385 N THR A 28 5.521 16.020 -1.038 1.00 0.00 N ATOM 386 CA THR A 28 6.151 17.359 -1.002 1.00 0.00 C ATOM 387 C THR A 28 5.112 18.488 -0.982 1.00 0.00 C ATOM 388 O THR A 28 5.463 19.670 -1.042 1.00 0.00 O ATOM 389 CB THR A 28 7.104 17.561 -2.195 1.00 0.00 C ATOM 390 OG1 THR A 28 6.456 17.274 -3.414 1.00 0.00 O ATOM 391 CG2 THR A 28 8.316 16.640 -2.091 1.00 0.00 C ATOM 0 H THR A 28 5.349 15.683 -1.985 1.00 0.00 H new ATOM 0 HA THR A 28 6.722 17.403 -0.075 1.00 0.00 H new ATOM 0 HB THR A 28 7.420 18.604 -2.171 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.081 17.411 -4.157 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.972 16.804 -2.946 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.859 16.856 -1.171 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.984 15.602 -2.082 1.00 0.00 H new ATOM 399 N GLY A 29 3.828 18.126 -0.908 1.00 0.00 N ATOM 400 CA GLY A 29 2.689 19.030 -0.988 1.00 0.00 C ATOM 401 C GLY A 29 2.170 19.070 -2.430 1.00 0.00 C ATOM 402 O GLY A 29 2.944 18.871 -3.373 1.00 0.00 O ATOM 0 H GLY A 29 3.548 17.153 -0.786 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.899 18.697 -0.315 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.981 20.030 -0.667 1.00 0.00 H new ATOM 406 N CYS A 30 0.871 19.320 -2.589 1.00 0.00 N ATOM 407 CA CYS A 30 0.165 19.355 -3.863 1.00 0.00 C ATOM 408 C CYS A 30 0.792 20.289 -4.905 1.00 0.00 C ATOM 409 O CYS A 30 1.636 21.147 -4.611 1.00 0.00 O ATOM 410 CB CYS A 30 -1.306 19.739 -3.598 1.00 0.00 C ATOM 411 SG CYS A 30 -2.430 19.254 -4.970 1.00 0.00 S ATOM 0 H CYS A 30 0.258 19.512 -1.797 1.00 0.00 H new ATOM 0 HA CYS A 30 0.236 18.359 -4.301 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.640 19.263 -2.676 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.373 20.816 -3.443 1.00 0.00 H new ATOM 416 N ALA A 31 0.295 20.172 -6.125 1.00 0.00 N ATOM 417 CA ALA A 31 0.605 21.069 -7.227 1.00 0.00 C ATOM 418 C ALA A 31 -0.661 21.638 -7.895 1.00 0.00 C ATOM 419 O ALA A 31 -0.550 22.628 -8.629 1.00 0.00 O ATOM 420 CB ALA A 31 1.589 20.438 -8.213 1.00 0.00 C ATOM 0 H ALA A 31 -0.354 19.429 -6.384 1.00 0.00 H new ATOM 0 HA ALA A 31 1.118 21.934 -6.807 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.795 21.140 -9.021 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.518 20.197 -7.696 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.157 19.526 -8.625 1.00 0.00 H new ATOM 426 N VAL A 32 -1.862 21.113 -7.603 1.00 0.00 N ATOM 427 CA VAL A 32 -3.120 21.714 -8.067 1.00 0.00 C ATOM 428 C VAL A 32 -3.397 22.990 -7.255 1.00 0.00 C ATOM 429 O VAL A 32 -3.893 23.975 -7.817 1.00 0.00 O ATOM 430 CB VAL A 32 -4.315 20.726 -7.996 1.00 0.00 C ATOM 431 CG1 VAL A 32 -5.701 21.379 -8.142 1.00 0.00 C ATOM 432 CG2 VAL A 32 -4.248 19.687 -9.124 1.00 0.00 C ATOM 0 H VAL A 32 -1.987 20.269 -7.044 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.009 21.969 -9.121 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.216 20.290 -7.002 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.473 20.612 -8.080 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.847 22.106 -7.343 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.766 21.882 -9.107 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.099 19.010 -9.046 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.275 20.195 -10.088 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.322 19.118 -9.040 1.00 0.00 H new ATOM 442 N CYS A 33 -3.046 22.997 -5.961 1.00 0.00 N ATOM 443 CA CYS A 33 -3.244 24.105 -5.020 1.00 0.00 C ATOM 444 C CYS A 33 -2.012 24.513 -4.174 1.00 0.00 C ATOM 445 O CYS A 33 -1.996 25.621 -3.624 1.00 0.00 O ATOM 446 CB CYS A 33 -4.387 23.711 -4.082 1.00 0.00 C ATOM 447 SG CYS A 33 -3.872 22.323 -3.015 1.00 0.00 S ATOM 0 H CYS A 33 -2.596 22.193 -5.524 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.459 24.984 -5.627 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.675 24.565 -3.468 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.264 23.427 -4.664 1.00 0.00 H new ATOM 452 N SER A 34 -0.985 23.653 -4.077 1.00 0.00 N ATOM 453 CA SER A 34 0.270 23.862 -3.323 1.00 0.00 C ATOM 454 C SER A 34 0.213 23.581 -1.799 1.00 0.00 C ATOM 455 O SER A 34 1.131 23.986 -1.074 1.00 0.00 O ATOM 456 CB SER A 34 0.900 25.235 -3.642 1.00 0.00 C ATOM 457 OG SER A 34 2.308 25.225 -3.455 1.00 0.00 O ATOM 0 H SER A 34 -1.005 22.747 -4.544 1.00 0.00 H new ATOM 0 HA SER A 34 0.931 23.077 -3.692 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.672 25.509 -4.672 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.454 25.997 -3.003 1.00 0.00 H new ATOM 0 HG SER A 34 2.520 24.814 -2.591 1.00 0.00 H new ATOM 463 N LYS A 35 -0.814 22.897 -1.265 1.00 0.00 N ATOM 464 CA LYS A 35 -0.924 22.579 0.182 1.00 0.00 C ATOM 465 C LYS A 35 -0.104 21.346 0.594 1.00 0.00 C ATOM 466 O LYS A 35 0.011 20.389 -0.168 1.00 0.00 O ATOM 467 CB LYS A 35 -2.398 22.341 0.548 1.00 0.00 C ATOM 468 CG LYS A 35 -3.178 23.659 0.691 1.00 0.00 C ATOM 469 CD LYS A 35 -3.678 23.852 2.125 1.00 0.00 C ATOM 470 CE LYS A 35 -4.317 25.238 2.279 1.00 0.00 C ATOM 471 NZ LYS A 35 -4.738 25.496 3.680 1.00 0.00 N ATOM 0 H LYS A 35 -1.595 22.546 -1.819 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.519 23.435 0.721 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.867 21.724 -0.219 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.454 21.784 1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.538 24.496 0.410 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.025 23.660 0.004 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.405 23.078 2.372 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.849 23.745 2.825 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.607 26.003 1.966 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.181 25.316 1.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.611 26.061 3.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.910 24.591 4.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.988 26.017 4.178 1.00 0.00 H new ATOM 485 N ARG A 36 0.402 21.324 1.834 1.00 0.00 N ATOM 486 CA ARG A 36 1.128 20.189 2.453 1.00 0.00 C ATOM 487 C ARG A 36 0.438 19.783 3.766 1.00 0.00 C ATOM 488 O ARG A 36 -0.368 20.549 4.285 1.00 0.00 O ATOM 489 CB ARG A 36 2.623 20.512 2.604 1.00 0.00 C ATOM 490 CG ARG A 36 3.434 19.232 2.874 1.00 0.00 C ATOM 491 CD ARG A 36 4.912 19.414 2.552 1.00 0.00 C ATOM 492 NE ARG A 36 5.632 18.132 2.702 1.00 0.00 N ATOM 493 CZ ARG A 36 6.674 17.853 3.462 1.00 0.00 C ATOM 494 NH1 ARG A 36 7.290 18.755 4.174 1.00 0.00 N ATOM 495 NH2 ARG A 36 7.114 16.631 3.519 1.00 0.00 N ATOM 0 H ARG A 36 0.318 22.122 2.463 1.00 0.00 H new ATOM 0 HA ARG A 36 1.086 19.318 1.799 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.989 20.995 1.698 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.766 21.218 3.422 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.323 18.947 3.920 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.031 18.415 2.276 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.026 19.786 1.534 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.346 20.162 3.215 1.00 0.00 H new ATOM 0 HE ARG A 36 5.275 17.358 2.142 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.970 19.723 4.158 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.092 18.492 4.747 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.654 15.898 2.979 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.919 16.406 4.104 1.00 0.00 H new ATOM 509 N ASP A 37 0.710 18.576 4.278 1.00 0.00 N ATOM 510 CA ASP A 37 0.078 17.971 5.474 1.00 0.00 C ATOM 511 C ASP A 37 -1.469 17.948 5.454 1.00 0.00 C ATOM 512 O ASP A 37 -2.153 17.927 6.478 1.00 0.00 O ATOM 513 CB ASP A 37 0.706 18.476 6.781 1.00 0.00 C ATOM 514 CG ASP A 37 0.511 19.968 7.119 1.00 0.00 C ATOM 515 OD1 ASP A 37 -0.512 20.333 7.747 1.00 0.00 O ATOM 516 OD2 ASP A 37 1.440 20.768 6.848 1.00 0.00 O ATOM 0 H ASP A 37 1.406 17.961 3.857 1.00 0.00 H new ATOM 0 HA ASP A 37 0.320 16.909 5.428 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.299 17.886 7.603 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.776 18.274 6.743 1.00 0.00 H new ATOM 521 N PHE A 38 -2.002 17.936 4.234 1.00 0.00 N ATOM 522 CA PHE A 38 -3.410 17.970 3.850 1.00 0.00 C ATOM 523 C PHE A 38 -3.781 16.779 2.955 1.00 0.00 C ATOM 524 O PHE A 38 -3.546 16.794 1.749 1.00 0.00 O ATOM 525 CB PHE A 38 -3.728 19.310 3.158 1.00 0.00 C ATOM 526 CG PHE A 38 -4.188 20.438 4.070 1.00 0.00 C ATOM 527 CD1 PHE A 38 -3.450 20.838 5.201 1.00 0.00 C ATOM 528 CD2 PHE A 38 -5.403 21.087 3.786 1.00 0.00 C ATOM 529 CE1 PHE A 38 -3.910 21.888 6.016 1.00 0.00 C ATOM 530 CE2 PHE A 38 -5.865 22.141 4.592 1.00 0.00 C ATOM 531 CZ PHE A 38 -5.117 22.541 5.713 1.00 0.00 C ATOM 0 H PHE A 38 -1.400 17.899 3.411 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.016 17.887 4.752 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.837 19.641 2.624 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.501 19.136 2.410 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.525 20.335 5.444 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.989 20.771 2.936 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.334 22.193 6.877 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.791 22.642 4.351 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.469 23.347 6.339 1.00 0.00 H new ATOM 541 N MET A 39 -4.402 15.757 3.549 1.00 0.00 N ATOM 542 CA MET A 39 -4.892 14.571 2.822 1.00 0.00 C ATOM 543 C MET A 39 -5.959 13.743 3.558 1.00 0.00 C ATOM 544 O MET A 39 -5.979 13.650 4.787 1.00 0.00 O ATOM 545 CB MET A 39 -3.754 13.638 2.353 1.00 0.00 C ATOM 546 CG MET A 39 -2.669 13.354 3.404 1.00 0.00 C ATOM 547 SD MET A 39 -1.007 13.965 3.000 1.00 0.00 S ATOM 548 CE MET A 39 -0.652 12.988 1.513 1.00 0.00 C ATOM 0 H MET A 39 -4.583 15.724 4.552 1.00 0.00 H new ATOM 0 HA MET A 39 -5.381 15.011 1.953 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.189 12.690 2.037 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.281 14.080 1.476 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.980 13.797 4.350 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.613 12.277 3.560 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.427 12.905 1.381 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.082 11.992 1.621 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.088 13.479 0.643 1.00 0.00 H new ATOM 558 N LEU A 40 -6.811 13.116 2.743 1.00 0.00 N ATOM 559 CA LEU A 40 -7.945 12.225 3.024 1.00 0.00 C ATOM 560 C LEU A 40 -7.811 10.923 2.207 1.00 0.00 C ATOM 561 O LEU A 40 -7.028 10.853 1.256 1.00 0.00 O ATOM 562 CB LEU A 40 -9.251 12.959 2.620 1.00 0.00 C ATOM 563 CG LEU A 40 -9.978 13.824 3.665 1.00 0.00 C ATOM 564 CD1 LEU A 40 -11.000 12.985 4.439 1.00 0.00 C ATOM 565 CD2 LEU A 40 -9.084 14.482 4.698 1.00 0.00 C ATOM 0 H LEU A 40 -6.709 13.237 1.735 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.963 11.971 4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.018 13.599 1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.956 12.206 2.269 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.439 14.614 3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.505 13.613 5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.735 12.576 3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.489 12.169 4.949 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.693 15.068 5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.544 13.715 5.254 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.371 15.137 4.198 1.00 0.00 H new ATOM 577 N ILE A 41 -8.620 9.914 2.542 1.00 0.00 N ATOM 578 CA ILE A 41 -8.731 8.617 1.857 1.00 0.00 C ATOM 579 C ILE A 41 -10.217 8.395 1.551 1.00 0.00 C ATOM 580 O ILE A 41 -11.069 8.595 2.421 1.00 0.00 O ATOM 581 CB ILE A 41 -8.154 7.479 2.738 1.00 0.00 C ATOM 582 CG1 ILE A 41 -6.614 7.609 2.844 1.00 0.00 C ATOM 583 CG2 ILE A 41 -8.556 6.077 2.216 1.00 0.00 C ATOM 584 CD1 ILE A 41 -5.976 6.720 3.922 1.00 0.00 C ATOM 0 H ILE A 41 -9.250 9.981 3.341 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.153 8.614 0.933 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.585 7.583 3.734 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.173 7.362 1.878 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.363 8.649 3.052 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.129 5.311 2.864 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.642 5.987 2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.179 5.945 1.202 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.897 6.873 3.928 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.385 6.981 4.898 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.193 5.674 3.706 1.00 0.00 H new ATOM 596 N THR A 42 -10.533 7.971 0.327 1.00 0.00 N ATOM 597 CA THR A 42 -11.912 7.678 -0.106 1.00 0.00 C ATOM 598 C THR A 42 -11.957 6.544 -1.134 1.00 0.00 C ATOM 599 O THR A 42 -10.912 6.086 -1.598 1.00 0.00 O ATOM 600 CB THR A 42 -12.618 8.952 -0.618 1.00 0.00 C ATOM 601 OG1 THR A 42 -14.000 8.823 -0.359 1.00 0.00 O ATOM 602 CG2 THR A 42 -12.472 9.208 -2.120 1.00 0.00 C ATOM 0 H THR A 42 -9.837 7.818 -0.403 1.00 0.00 H new ATOM 0 HA THR A 42 -12.464 7.329 0.767 1.00 0.00 H new ATOM 0 HB THR A 42 -12.144 9.785 -0.099 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.468 9.624 -0.675 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.000 10.124 -2.386 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.416 9.312 -2.370 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.895 8.371 -2.675 1.00 0.00 H new ATOM 610 N ASN A 43 -13.163 6.096 -1.501 1.00 0.00 N ATOM 611 CA ASN A 43 -13.470 5.028 -2.478 1.00 0.00 C ATOM 612 C ASN A 43 -12.823 3.651 -2.177 1.00 0.00 C ATOM 613 O ASN A 43 -12.815 2.747 -3.016 1.00 0.00 O ATOM 614 CB ASN A 43 -13.289 5.586 -3.915 1.00 0.00 C ATOM 615 CG ASN A 43 -12.112 5.058 -4.727 1.00 0.00 C ATOM 616 OD1 ASN A 43 -12.269 4.515 -5.812 1.00 0.00 O ATOM 617 ND2 ASN A 43 -10.906 5.226 -4.246 1.00 0.00 N ATOM 0 H ASN A 43 -14.013 6.493 -1.100 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.520 4.754 -2.377 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -14.203 5.382 -4.474 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -13.192 6.670 -3.846 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.096 4.904 -4.776 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.776 5.679 -3.341 1.00 0.00 H new ATOM 624 N LYS A 44 -12.280 3.504 -0.962 1.00 0.00 N ATOM 625 CA LYS A 44 -11.568 2.339 -0.434 1.00 0.00 C ATOM 626 C LYS A 44 -12.325 1.022 -0.591 1.00 0.00 C ATOM 627 O LYS A 44 -13.359 0.801 0.045 1.00 0.00 O ATOM 628 CB LYS A 44 -11.220 2.613 1.033 1.00 0.00 C ATOM 629 CG LYS A 44 -10.166 1.631 1.564 1.00 0.00 C ATOM 630 CD LYS A 44 -9.200 2.315 2.528 1.00 0.00 C ATOM 631 CE LYS A 44 -8.110 1.341 2.965 1.00 0.00 C ATOM 632 NZ LYS A 44 -7.040 2.058 3.692 1.00 0.00 N ATOM 0 H LYS A 44 -12.332 4.254 -0.273 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.663 2.204 -1.026 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.849 3.633 1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.122 2.540 1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.661 0.803 2.070 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.609 1.207 0.729 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.750 3.183 2.047 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.743 2.679 3.400 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.538 0.569 3.604 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.692 0.838 2.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.119 1.632 3.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.038 3.059 3.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.209 1.988 4.716 1.00 0.00 H new ATOM 646 N SER A 45 -11.780 0.156 -1.433 1.00 0.00 N ATOM 647 CA SER A 45 -12.284 -1.183 -1.718 1.00 0.00 C ATOM 648 C SER A 45 -11.412 -2.283 -1.108 1.00 0.00 C ATOM 649 O SER A 45 -10.211 -2.109 -0.883 1.00 0.00 O ATOM 650 CB SER A 45 -12.392 -1.369 -3.236 1.00 0.00 C ATOM 651 OG SER A 45 -13.403 -0.527 -3.771 1.00 0.00 O ATOM 0 H SER A 45 -10.936 0.376 -1.961 1.00 0.00 H new ATOM 0 HA SER A 45 -13.267 -1.274 -1.257 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.435 -1.141 -3.705 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.619 -2.410 -3.465 1.00 0.00 H new ATOM 0 HG SER A 45 -13.458 -0.657 -4.741 1.00 0.00 H new ATOM 657 N LEU A 46 -12.027 -3.445 -0.890 1.00 0.00 N ATOM 658 CA LEU A 46 -11.401 -4.661 -0.373 1.00 0.00 C ATOM 659 C LEU A 46 -11.950 -5.880 -1.130 1.00 0.00 C ATOM 660 O LEU A 46 -13.151 -5.965 -1.405 1.00 0.00 O ATOM 661 CB LEU A 46 -11.591 -4.755 1.152 1.00 0.00 C ATOM 662 CG LEU A 46 -11.164 -6.118 1.759 1.00 0.00 C ATOM 663 CD1 LEU A 46 -10.561 -5.919 3.151 1.00 0.00 C ATOM 664 CD2 LEU A 46 -12.330 -7.098 1.913 1.00 0.00 C ATOM 0 H LEU A 46 -13.022 -3.570 -1.078 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.325 -4.634 -0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.017 -3.961 1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.640 -4.576 1.389 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.438 -6.534 1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.267 -6.885 3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.686 -5.274 3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.300 -5.456 3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.966 -8.032 2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.084 -6.666 2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.771 -7.296 0.936 1.00 0.00 H new ATOM 676 N LYS A 47 -11.056 -6.807 -1.476 1.00 0.00 N ATOM 677 CA LYS A 47 -11.322 -8.038 -2.224 1.00 0.00 C ATOM 678 C LYS A 47 -10.682 -9.240 -1.549 1.00 0.00 C ATOM 679 O LYS A 47 -9.617 -9.112 -0.955 1.00 0.00 O ATOM 680 CB LYS A 47 -10.798 -7.893 -3.659 1.00 0.00 C ATOM 681 CG LYS A 47 -11.760 -8.467 -4.703 1.00 0.00 C ATOM 682 CD LYS A 47 -11.303 -8.120 -6.128 1.00 0.00 C ATOM 683 CE LYS A 47 -12.298 -8.616 -7.187 1.00 0.00 C ATOM 684 NZ LYS A 47 -12.141 -10.062 -7.490 1.00 0.00 N ATOM 0 H LYS A 47 -10.071 -6.714 -1.228 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.399 -8.202 -2.246 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.624 -6.838 -3.873 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.835 -8.398 -3.742 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.819 -9.550 -4.591 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.762 -8.073 -4.533 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.185 -7.040 -6.218 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.325 -8.564 -6.313 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.314 -8.430 -6.840 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.164 -8.041 -8.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.900 -10.366 -8.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.219 -10.224 -7.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.195 -10.609 -6.607 1.00 0.00 H new ATOM 698 N GLU A 48 -11.308 -10.403 -1.637 1.00 0.00 N ATOM 699 CA GLU A 48 -10.735 -11.636 -1.077 1.00 0.00 C ATOM 700 C GLU A 48 -10.949 -12.826 -2.028 1.00 0.00 C ATOM 701 O GLU A 48 -12.084 -13.240 -2.275 1.00 0.00 O ATOM 702 CB GLU A 48 -11.377 -11.932 0.291 1.00 0.00 C ATOM 703 CG GLU A 48 -11.164 -10.852 1.358 1.00 0.00 C ATOM 704 CD GLU A 48 -11.801 -11.288 2.693 1.00 0.00 C ATOM 705 OE1 GLU A 48 -11.157 -12.038 3.467 1.00 0.00 O ATOM 706 OE2 GLU A 48 -12.960 -10.898 2.975 1.00 0.00 O ATOM 0 H GLU A 48 -12.214 -10.528 -2.089 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.662 -11.492 -0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.448 -12.074 0.149 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.978 -12.874 0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.098 -10.673 1.497 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.604 -9.912 1.027 1.00 0.00 H new ATOM 713 N GLU A 49 -9.856 -13.400 -2.544 1.00 0.00 N ATOM 714 CA GLU A 49 -9.853 -14.600 -3.392 1.00 0.00 C ATOM 715 C GLU A 49 -9.072 -15.770 -2.777 1.00 0.00 C ATOM 716 O GLU A 49 -7.860 -15.674 -2.619 1.00 0.00 O ATOM 717 CB GLU A 49 -9.295 -14.296 -4.792 1.00 0.00 C ATOM 718 CG GLU A 49 -9.962 -13.126 -5.535 1.00 0.00 C ATOM 719 CD GLU A 49 -11.482 -13.279 -5.745 1.00 0.00 C ATOM 720 OE1 GLU A 49 -11.979 -14.416 -5.942 1.00 0.00 O ATOM 721 OE2 GLU A 49 -12.178 -12.235 -5.787 1.00 0.00 O ATOM 0 H GLU A 49 -8.919 -13.031 -2.378 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.897 -14.903 -3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.230 -14.084 -4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.390 -15.193 -5.404 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.776 -12.207 -4.979 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.484 -13.012 -6.508 1.00 0.00 H new ATOM 728 N ASP A 50 -9.702 -16.920 -2.556 1.00 0.00 N ATOM 729 CA ASP A 50 -9.066 -18.191 -2.131 1.00 0.00 C ATOM 730 C ASP A 50 -8.008 -18.147 -0.988 1.00 0.00 C ATOM 731 O ASP A 50 -7.175 -19.047 -0.855 1.00 0.00 O ATOM 732 CB ASP A 50 -8.501 -18.837 -3.413 1.00 0.00 C ATOM 733 CG ASP A 50 -8.236 -20.350 -3.283 1.00 0.00 C ATOM 734 OD1 ASP A 50 -9.124 -21.085 -2.784 1.00 0.00 O ATOM 735 OD2 ASP A 50 -7.167 -20.824 -3.741 1.00 0.00 O ATOM 0 H ASP A 50 -10.712 -17.010 -2.669 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.845 -18.780 -1.646 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.201 -18.669 -4.232 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.571 -18.336 -3.681 1.00 0.00 H new ATOM 740 N GLY A 51 -8.011 -17.090 -0.172 1.00 0.00 N ATOM 741 CA GLY A 51 -7.058 -16.825 0.925 1.00 0.00 C ATOM 742 C GLY A 51 -6.267 -15.520 0.743 1.00 0.00 C ATOM 743 O GLY A 51 -5.778 -14.951 1.721 1.00 0.00 O ATOM 0 H GLY A 51 -8.712 -16.354 -0.258 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.603 -16.782 1.868 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.359 -17.658 0.998 1.00 0.00 H new ATOM 747 N GLU A 52 -6.173 -15.016 -0.488 1.00 0.00 N ATOM 748 CA GLU A 52 -5.562 -13.730 -0.832 1.00 0.00 C ATOM 749 C GLU A 52 -6.509 -12.599 -0.412 1.00 0.00 C ATOM 750 O GLU A 52 -7.712 -12.668 -0.660 1.00 0.00 O ATOM 751 CB GLU A 52 -5.273 -13.672 -2.350 1.00 0.00 C ATOM 752 CG GLU A 52 -4.726 -12.332 -2.885 1.00 0.00 C ATOM 753 CD GLU A 52 -4.555 -12.303 -4.424 1.00 0.00 C ATOM 754 OE1 GLU A 52 -5.016 -13.224 -5.145 1.00 0.00 O ATOM 755 OE2 GLU A 52 -3.968 -11.321 -4.943 1.00 0.00 O ATOM 0 H GLU A 52 -6.534 -15.510 -1.304 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.615 -13.615 -0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.557 -14.457 -2.593 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.194 -13.904 -2.884 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.400 -11.529 -2.587 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.763 -12.129 -2.417 1.00 0.00 H new ATOM 762 N GLU A 53 -5.968 -11.537 0.178 1.00 0.00 N ATOM 763 CA GLU A 53 -6.686 -10.329 0.582 1.00 0.00 C ATOM 764 C GLU A 53 -6.118 -9.136 -0.191 1.00 0.00 C ATOM 765 O GLU A 53 -4.906 -8.937 -0.224 1.00 0.00 O ATOM 766 CB GLU A 53 -6.561 -10.089 2.097 1.00 0.00 C ATOM 767 CG GLU A 53 -7.180 -11.209 2.943 1.00 0.00 C ATOM 768 CD GLU A 53 -7.135 -10.865 4.445 1.00 0.00 C ATOM 769 OE1 GLU A 53 -7.847 -9.928 4.884 1.00 0.00 O ATOM 770 OE2 GLU A 53 -6.394 -11.532 5.208 1.00 0.00 O ATOM 0 H GLU A 53 -4.973 -11.492 0.398 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.745 -10.451 0.354 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.507 -9.988 2.356 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.043 -9.144 2.349 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.213 -11.372 2.636 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.644 -12.141 2.765 1.00 0.00 H new ATOM 777 N ILE A 54 -6.971 -8.328 -0.816 1.00 0.00 N ATOM 778 CA ILE A 54 -6.566 -7.176 -1.616 1.00 0.00 C ATOM 779 C ILE A 54 -7.243 -5.922 -1.073 1.00 0.00 C ATOM 780 O ILE A 54 -8.425 -5.956 -0.734 1.00 0.00 O ATOM 781 CB ILE A 54 -6.906 -7.387 -3.110 1.00 0.00 C ATOM 782 CG1 ILE A 54 -6.335 -8.705 -3.691 1.00 0.00 C ATOM 783 CG2 ILE A 54 -6.327 -6.205 -3.893 1.00 0.00 C ATOM 784 CD1 ILE A 54 -7.336 -9.870 -3.681 1.00 0.00 C ATOM 0 H ILE A 54 -7.982 -8.458 -0.780 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.485 -7.057 -1.545 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.990 -7.452 -3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.007 -8.528 -4.715 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.452 -8.991 -3.119 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.551 -6.326 -4.953 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.770 -5.277 -3.532 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.247 -6.170 -3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.865 -10.758 -4.102 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.645 -10.075 -2.656 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.209 -9.605 -4.277 1.00 0.00 H new ATOM 796 N VAL A 55 -6.512 -4.809 -1.024 1.00 0.00 N ATOM 797 CA VAL A 55 -7.014 -3.504 -0.584 1.00 0.00 C ATOM 798 C VAL A 55 -6.581 -2.451 -1.599 1.00 0.00 C ATOM 799 O VAL A 55 -5.386 -2.221 -1.793 1.00 0.00 O ATOM 800 CB VAL A 55 -6.441 -3.161 0.805 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.989 -1.830 1.326 1.00 0.00 C ATOM 802 CG2 VAL A 55 -6.750 -4.257 1.834 1.00 0.00 C ATOM 0 H VAL A 55 -5.529 -4.787 -1.296 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.101 -3.529 -0.514 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.361 -3.083 0.678 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.563 -1.620 2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.720 -1.031 0.636 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.074 -1.890 1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.329 -3.978 2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.830 -4.374 1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.311 -5.199 1.505 1.00 0.00 H new ATOM 812 N THR A 56 -7.543 -1.795 -2.242 1.00 0.00 N ATOM 813 CA THR A 56 -7.294 -0.713 -3.209 1.00 0.00 C ATOM 814 C THR A 56 -7.985 0.589 -2.799 1.00 0.00 C ATOM 815 O THR A 56 -9.156 0.579 -2.417 1.00 0.00 O ATOM 816 CB THR A 56 -7.592 -1.150 -4.651 1.00 0.00 C ATOM 817 OG1 THR A 56 -8.969 -1.396 -4.849 1.00 0.00 O ATOM 818 CG2 THR A 56 -6.842 -2.440 -5.010 1.00 0.00 C ATOM 0 H THR A 56 -8.534 -1.998 -2.109 1.00 0.00 H new ATOM 0 HA THR A 56 -6.227 -0.492 -3.191 1.00 0.00 H new ATOM 0 HB THR A 56 -7.263 -0.328 -5.287 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.122 -1.670 -5.777 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.074 -2.722 -6.037 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.769 -2.276 -4.913 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.149 -3.239 -4.336 1.00 0.00 H new ATOM 826 N TYR A 57 -7.291 1.726 -2.865 1.00 0.00 N ATOM 827 CA TYR A 57 -7.849 3.044 -2.524 1.00 0.00 C ATOM 828 C TYR A 57 -7.130 4.206 -3.229 1.00 0.00 C ATOM 829 O TYR A 57 -6.276 4.006 -4.097 1.00 0.00 O ATOM 830 CB TYR A 57 -7.900 3.229 -0.998 1.00 0.00 C ATOM 831 CG TYR A 57 -6.597 3.215 -0.220 1.00 0.00 C ATOM 832 CD1 TYR A 57 -6.029 1.981 0.152 1.00 0.00 C ATOM 833 CD2 TYR A 57 -6.022 4.415 0.241 1.00 0.00 C ATOM 834 CE1 TYR A 57 -4.912 1.941 1.006 1.00 0.00 C ATOM 835 CE2 TYR A 57 -4.911 4.380 1.107 1.00 0.00 C ATOM 836 CZ TYR A 57 -4.359 3.144 1.500 1.00 0.00 C ATOM 837 OH TYR A 57 -3.335 3.110 2.394 1.00 0.00 O ATOM 0 H TYR A 57 -6.315 1.763 -3.159 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.871 3.069 -2.903 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.396 4.179 -0.796 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.537 2.444 -0.591 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.453 1.060 -0.221 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.433 5.364 -0.070 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.478 0.992 1.284 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.482 5.302 1.470 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.075 4.025 2.628 1.00 0.00 H new ATOM 847 N ASP A 58 -7.450 5.435 -2.823 1.00 0.00 N ATOM 848 CA ASP A 58 -6.914 6.667 -3.390 1.00 0.00 C ATOM 849 C ASP A 58 -6.681 7.679 -2.250 1.00 0.00 C ATOM 850 O ASP A 58 -7.332 7.613 -1.201 1.00 0.00 O ATOM 851 CB ASP A 58 -7.982 7.279 -4.337 1.00 0.00 C ATOM 852 CG ASP A 58 -8.259 6.543 -5.665 1.00 0.00 C ATOM 853 OD1 ASP A 58 -8.529 5.319 -5.676 1.00 0.00 O ATOM 854 OD2 ASP A 58 -8.302 7.223 -6.718 1.00 0.00 O ATOM 0 H ASP A 58 -8.112 5.603 -2.065 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.986 6.456 -3.922 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.921 7.346 -3.787 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.677 8.298 -4.574 1.00 0.00 H new ATOM 859 N HIS A 59 -5.806 8.659 -2.487 1.00 0.00 N ATOM 860 CA HIS A 59 -5.499 9.760 -1.565 1.00 0.00 C ATOM 861 C HIS A 59 -6.028 11.057 -2.187 1.00 0.00 C ATOM 862 O HIS A 59 -5.929 11.242 -3.400 1.00 0.00 O ATOM 863 CB HIS A 59 -3.989 9.881 -1.301 1.00 0.00 C ATOM 864 CG HIS A 59 -3.297 8.637 -0.785 1.00 0.00 C ATOM 865 ND1 HIS A 59 -2.916 8.391 0.519 1.00 0.00 N ATOM 866 CD2 HIS A 59 -2.723 7.655 -1.555 1.00 0.00 C ATOM 867 CE1 HIS A 59 -2.122 7.304 0.525 1.00 0.00 C ATOM 868 NE2 HIS A 59 -1.971 6.820 -0.718 1.00 0.00 N ATOM 0 H HIS A 59 -5.273 8.712 -3.355 1.00 0.00 H new ATOM 0 HA HIS A 59 -5.976 9.565 -0.604 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.503 10.183 -2.228 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.831 10.684 -0.581 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -3.189 8.938 1.336 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.833 7.545 -2.624 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.669 6.880 1.409 1.00 0.00 H new ATOM 876 N LEU A 60 -6.593 11.960 -1.387 1.00 0.00 N ATOM 877 CA LEU A 60 -7.222 13.202 -1.849 1.00 0.00 C ATOM 878 C LEU A 60 -6.751 14.390 -1.024 1.00 0.00 C ATOM 879 O LEU A 60 -6.748 14.318 0.202 1.00 0.00 O ATOM 880 CB LEU A 60 -8.760 13.131 -1.744 1.00 0.00 C ATOM 881 CG LEU A 60 -9.459 12.260 -2.800 1.00 0.00 C ATOM 882 CD1 LEU A 60 -9.487 10.779 -2.428 1.00 0.00 C ATOM 883 CD2 LEU A 60 -10.921 12.684 -2.935 1.00 0.00 C ATOM 0 H LEU A 60 -6.628 11.848 -0.374 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.931 13.328 -2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.022 12.752 -0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.158 14.143 -1.813 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.891 12.397 -3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.993 10.216 -3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.466 10.412 -2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.021 10.650 -1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.412 12.064 -3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.425 12.562 -1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.970 13.729 -3.240 1.00 0.00 H new ATOM 895 N CYS A 61 -6.401 15.485 -1.689 1.00 0.00 N ATOM 896 CA CYS A 61 -5.978 16.730 -1.062 1.00 0.00 C ATOM 897 C CYS A 61 -7.091 17.277 -0.148 1.00 0.00 C ATOM 898 O CYS A 61 -8.214 17.512 -0.593 1.00 0.00 O ATOM 899 CB CYS A 61 -5.605 17.678 -2.213 1.00 0.00 C ATOM 900 SG CYS A 61 -4.610 19.101 -1.673 1.00 0.00 S ATOM 0 H CYS A 61 -6.404 15.532 -2.708 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.117 16.599 -0.407 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.051 17.121 -2.969 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.517 18.040 -2.688 1.00 0.00 H new ATOM 905 N LYS A 62 -6.822 17.492 1.143 1.00 0.00 N ATOM 906 CA LYS A 62 -7.818 18.047 2.085 1.00 0.00 C ATOM 907 C LYS A 62 -8.260 19.474 1.679 1.00 0.00 C ATOM 908 O LYS A 62 -9.272 19.967 2.178 1.00 0.00 O ATOM 909 CB LYS A 62 -7.237 17.962 3.516 1.00 0.00 C ATOM 910 CG LYS A 62 -7.915 18.767 4.637 1.00 0.00 C ATOM 911 CD LYS A 62 -9.336 18.301 4.963 1.00 0.00 C ATOM 912 CE LYS A 62 -9.961 19.243 6.000 1.00 0.00 C ATOM 913 NZ LYS A 62 -11.328 18.812 6.392 1.00 0.00 N ATOM 0 H LYS A 62 -5.917 17.291 1.569 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.734 17.457 2.054 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.242 16.913 3.813 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.194 18.275 3.468 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.306 18.700 5.538 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.945 19.818 4.349 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.942 18.288 4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.316 17.282 5.348 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.325 19.281 6.885 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -10.002 20.253 5.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.713 19.476 7.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.942 18.800 5.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.286 17.858 6.804 1.00 0.00 H new ATOM 927 N ASN A 63 -7.541 20.129 0.759 1.00 0.00 N ATOM 928 CA ASN A 63 -7.839 21.473 0.282 1.00 0.00 C ATOM 929 C ASN A 63 -8.682 21.445 -1.006 1.00 0.00 C ATOM 930 O ASN A 63 -9.854 21.831 -0.970 1.00 0.00 O ATOM 931 CB ASN A 63 -6.523 22.234 0.093 1.00 0.00 C ATOM 932 CG ASN A 63 -6.772 23.625 -0.459 1.00 0.00 C ATOM 933 OD1 ASN A 63 -7.474 24.433 0.135 1.00 0.00 O ATOM 934 ND2 ASN A 63 -6.211 23.960 -1.592 1.00 0.00 N ATOM 0 H ASN A 63 -6.716 19.723 0.318 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.444 21.994 1.024 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.000 22.306 1.047 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.873 21.681 -0.585 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.359 24.892 -1.978 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.626 23.289 -2.089 1.00 0.00 H new ATOM 941 N CYS A 64 -8.110 20.986 -2.125 1.00 0.00 N ATOM 942 CA CYS A 64 -8.774 20.948 -3.430 1.00 0.00 C ATOM 943 C CYS A 64 -9.509 19.624 -3.752 1.00 0.00 C ATOM 944 O CYS A 64 -10.214 19.542 -4.763 1.00 0.00 O ATOM 945 CB CYS A 64 -7.758 21.354 -4.522 1.00 0.00 C ATOM 946 SG CYS A 64 -6.240 20.334 -4.580 1.00 0.00 S ATOM 0 H CYS A 64 -7.156 20.625 -2.148 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.587 21.673 -3.400 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.250 21.302 -5.493 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.473 22.394 -4.364 1.00 0.00 H new ATOM 951 N HIS A 65 -9.379 18.595 -2.900 1.00 0.00 N ATOM 952 CA HIS A 65 -9.966 17.244 -3.061 1.00 0.00 C ATOM 953 C HIS A 65 -9.651 16.554 -4.394 1.00 0.00 C ATOM 954 O HIS A 65 -10.307 15.593 -4.796 1.00 0.00 O ATOM 955 CB HIS A 65 -11.435 17.208 -2.615 1.00 0.00 C ATOM 956 CG HIS A 65 -11.580 17.522 -1.144 1.00 0.00 C ATOM 957 ND1 HIS A 65 -11.890 18.756 -0.600 1.00 0.00 N ATOM 958 CD2 HIS A 65 -11.356 16.652 -0.109 1.00 0.00 C ATOM 959 CE1 HIS A 65 -11.870 18.637 0.742 1.00 0.00 C ATOM 960 NE2 HIS A 65 -11.560 17.362 1.062 1.00 0.00 N ATOM 0 H HIS A 65 -8.838 18.680 -2.039 1.00 0.00 H new ATOM 0 HA HIS A 65 -9.439 16.593 -2.363 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.010 17.926 -3.199 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.854 16.223 -2.820 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -11.075 15.613 -0.191 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.069 19.431 1.446 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.488 16.986 2.007 1.00 0.00 H new ATOM 969 N HIS A 66 -8.580 16.999 -5.038 1.00 0.00 N ATOM 970 CA HIS A 66 -7.976 16.367 -6.200 1.00 0.00 C ATOM 971 C HIS A 66 -7.328 15.051 -5.727 1.00 0.00 C ATOM 972 O HIS A 66 -6.821 14.980 -4.602 1.00 0.00 O ATOM 973 CB HIS A 66 -6.935 17.334 -6.750 1.00 0.00 C ATOM 974 CG HIS A 66 -5.615 16.730 -7.102 1.00 0.00 C ATOM 975 ND1 HIS A 66 -5.254 16.186 -8.314 1.00 0.00 N ATOM 976 CD2 HIS A 66 -4.482 16.906 -6.356 1.00 0.00 C ATOM 977 CE1 HIS A 66 -3.912 16.147 -8.339 1.00 0.00 C ATOM 978 NE2 HIS A 66 -3.407 16.618 -7.184 1.00 0.00 N ATOM 0 H HIS A 66 -8.089 17.846 -4.752 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.700 16.141 -6.983 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.344 17.813 -7.640 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.770 18.120 -6.013 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -5.885 15.873 -9.052 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.434 17.211 -5.321 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.321 15.788 -9.169 1.00 0.00 H new ATOM 986 N VAL A 67 -7.314 14.012 -6.566 1.00 0.00 N ATOM 987 CA VAL A 67 -6.673 12.739 -6.219 1.00 0.00 C ATOM 988 C VAL A 67 -5.149 12.876 -6.322 1.00 0.00 C ATOM 989 O VAL A 67 -4.588 12.905 -7.420 1.00 0.00 O ATOM 990 CB VAL A 67 -7.203 11.582 -7.081 1.00 0.00 C ATOM 991 CG1 VAL A 67 -6.487 10.275 -6.736 1.00 0.00 C ATOM 992 CG2 VAL A 67 -8.706 11.363 -6.847 1.00 0.00 C ATOM 0 H VAL A 67 -7.740 14.027 -7.493 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.926 12.495 -5.187 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.020 11.853 -8.121 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.879 9.470 -7.358 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.418 10.387 -6.917 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.654 10.035 -5.686 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.055 10.539 -7.469 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.880 11.124 -5.798 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.251 12.270 -7.108 1.00 0.00 H new ATOM 1002 N ILE A 68 -4.491 12.942 -5.162 1.00 0.00 N ATOM 1003 CA ILE A 68 -3.033 13.057 -5.017 1.00 0.00 C ATOM 1004 C ILE A 68 -2.320 11.834 -5.613 1.00 0.00 C ATOM 1005 O ILE A 68 -1.319 11.961 -6.323 1.00 0.00 O ATOM 1006 CB ILE A 68 -2.685 13.229 -3.519 1.00 0.00 C ATOM 1007 CG1 ILE A 68 -3.095 14.663 -3.121 1.00 0.00 C ATOM 1008 CG2 ILE A 68 -1.198 12.954 -3.196 1.00 0.00 C ATOM 1009 CD1 ILE A 68 -2.971 14.958 -1.630 1.00 0.00 C ATOM 0 H ILE A 68 -4.974 12.916 -4.264 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.686 13.931 -5.568 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.232 12.487 -2.937 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.477 15.372 -3.673 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.127 14.832 -3.429 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.026 13.093 -2.129 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.949 11.930 -3.473 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.570 13.645 -3.758 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.278 15.986 -1.436 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.611 14.276 -1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.935 14.824 -1.317 1.00 0.00 H new ATOM 1021 N ALA A 69 -2.834 10.637 -5.304 1.00 0.00 N ATOM 1022 CA ALA A 69 -2.250 9.358 -5.698 1.00 0.00 C ATOM 1023 C ALA A 69 -3.245 8.186 -5.561 1.00 0.00 C ATOM 1024 O ALA A 69 -4.278 8.307 -4.898 1.00 0.00 O ATOM 1025 CB ALA A 69 -1.033 9.144 -4.779 1.00 0.00 C ATOM 0 H ALA A 69 -3.690 10.533 -4.759 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.970 9.383 -6.751 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.552 8.198 -5.027 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.324 9.960 -4.919 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.361 9.123 -3.740 1.00 0.00 H new ATOM 1031 N ARG A 70 -2.895 7.028 -6.139 1.00 0.00 N ATOM 1032 CA ARG A 70 -3.629 5.756 -6.031 1.00 0.00 C ATOM 1033 C ARG A 70 -2.761 4.744 -5.288 1.00 0.00 C ATOM 1034 O ARG A 70 -1.559 4.680 -5.545 1.00 0.00 O ATOM 1035 CB ARG A 70 -3.983 5.177 -7.409 1.00 0.00 C ATOM 1036 CG ARG A 70 -5.322 5.657 -7.963 1.00 0.00 C ATOM 1037 CD ARG A 70 -5.274 7.052 -8.591 1.00 0.00 C ATOM 1038 NE ARG A 70 -6.639 7.485 -8.919 1.00 0.00 N ATOM 1039 CZ ARG A 70 -7.101 8.067 -10.006 1.00 0.00 C ATOM 1040 NH1 ARG A 70 -6.349 8.344 -11.035 1.00 0.00 N ATOM 1041 NH2 ARG A 70 -8.361 8.385 -10.063 1.00 0.00 N ATOM 0 H ARG A 70 -2.059 6.947 -6.718 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.557 5.951 -5.494 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.195 5.440 -8.115 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.000 4.089 -7.341 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.670 4.945 -8.712 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.057 5.658 -7.158 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.812 7.758 -7.901 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.659 7.037 -9.491 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.335 7.308 -8.194 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.357 8.109 -11.020 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.753 8.796 -11.855 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.974 8.183 -9.273 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.736 8.836 -10.897 1.00 0.00 H new ATOM 1055 N HIS A 71 -3.396 3.948 -4.428 1.00 0.00 N ATOM 1056 CA HIS A 71 -2.774 2.939 -3.564 1.00 0.00 C ATOM 1057 C HIS A 71 -3.361 1.548 -3.781 1.00 0.00 C ATOM 1058 O HIS A 71 -4.578 1.368 -3.869 1.00 0.00 O ATOM 1059 CB HIS A 71 -3.033 3.325 -2.099 1.00 0.00 C ATOM 1060 CG HIS A 71 -2.121 2.663 -1.083 1.00 0.00 C ATOM 1061 ND1 HIS A 71 -1.131 3.353 -0.383 1.00 0.00 N ATOM 1062 CD2 HIS A 71 -2.090 1.342 -0.699 1.00 0.00 C ATOM 1063 CE1 HIS A 71 -0.524 2.448 0.398 1.00 0.00 C ATOM 1064 NE2 HIS A 71 -1.094 1.239 0.251 1.00 0.00 N ATOM 0 H HIS A 71 -4.408 3.990 -4.307 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.711 2.910 -3.805 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.933 4.406 -2.002 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.065 3.077 -1.852 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.719 0.545 -1.067 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.307 2.660 1.054 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.835 0.391 0.755 1.00 0.00 H new ATOM 1072 N GLU A 72 -2.500 0.540 -3.798 1.00 0.00 N ATOM 1073 CA GLU A 72 -2.875 -0.862 -3.881 1.00 0.00 C ATOM 1074 C GLU A 72 -1.967 -1.668 -2.947 1.00 0.00 C ATOM 1075 O GLU A 72 -0.745 -1.538 -2.972 1.00 0.00 O ATOM 1076 CB GLU A 72 -2.777 -1.344 -5.341 1.00 0.00 C ATOM 1077 CG GLU A 72 -2.827 -2.872 -5.459 1.00 0.00 C ATOM 1078 CD GLU A 72 -3.013 -3.309 -6.925 1.00 0.00 C ATOM 1079 OE1 GLU A 72 -4.173 -3.395 -7.395 1.00 0.00 O ATOM 1080 OE2 GLU A 72 -2.000 -3.570 -7.619 1.00 0.00 O ATOM 0 H GLU A 72 -1.491 0.681 -3.753 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.908 -1.004 -3.564 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.594 -0.911 -5.919 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.848 -0.979 -5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.907 -3.301 -5.062 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.646 -3.260 -4.854 1.00 0.00 H new ATOM 1087 N TYR A 73 -2.570 -2.532 -2.140 1.00 0.00 N ATOM 1088 CA TYR A 73 -1.889 -3.478 -1.266 1.00 0.00 C ATOM 1089 C TYR A 73 -2.545 -4.836 -1.499 1.00 0.00 C ATOM 1090 O TYR A 73 -3.766 -4.961 -1.412 1.00 0.00 O ATOM 1091 CB TYR A 73 -1.987 -3.044 0.201 1.00 0.00 C ATOM 1092 CG TYR A 73 -1.772 -4.169 1.205 1.00 0.00 C ATOM 1093 CD1 TYR A 73 -0.516 -4.794 1.362 1.00 0.00 C ATOM 1094 CD2 TYR A 73 -2.868 -4.627 1.957 1.00 0.00 C ATOM 1095 CE1 TYR A 73 -0.350 -5.842 2.287 1.00 0.00 C ATOM 1096 CE2 TYR A 73 -2.707 -5.660 2.896 1.00 0.00 C ATOM 1097 CZ TYR A 73 -1.440 -6.253 3.085 1.00 0.00 C ATOM 1098 OH TYR A 73 -1.268 -7.212 4.036 1.00 0.00 O ATOM 0 H TYR A 73 -3.586 -2.595 -2.074 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.824 -3.525 -1.492 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.250 -2.262 0.386 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.969 -2.603 0.372 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.324 -4.466 0.768 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.841 -4.182 1.812 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.608 -6.330 2.386 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.554 -6.001 3.474 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.537 -7.808 3.771 1.00 0.00 H new ATOM 1108 N THR A 74 -1.756 -5.855 -1.810 1.00 0.00 N ATOM 1109 CA THR A 74 -2.264 -7.212 -2.047 1.00 0.00 C ATOM 1110 C THR A 74 -1.469 -8.189 -1.178 1.00 0.00 C ATOM 1111 O THR A 74 -0.246 -8.093 -1.051 1.00 0.00 O ATOM 1112 CB THR A 74 -2.247 -7.616 -3.541 1.00 0.00 C ATOM 1113 OG1 THR A 74 -1.053 -8.239 -3.953 1.00 0.00 O ATOM 1114 CG2 THR A 74 -2.453 -6.447 -4.519 1.00 0.00 C ATOM 0 H THR A 74 -0.744 -5.771 -1.907 1.00 0.00 H new ATOM 0 HA THR A 74 -3.316 -7.242 -1.764 1.00 0.00 H new ATOM 0 HB THR A 74 -3.088 -8.308 -3.585 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.308 -7.608 -3.868 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.427 -6.820 -5.543 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.419 -5.979 -4.328 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.660 -5.712 -4.380 1.00 0.00 H new ATOM 1122 N PHE A 75 -2.162 -9.119 -0.534 1.00 0.00 N ATOM 1123 CA PHE A 75 -1.567 -10.115 0.360 1.00 0.00 C ATOM 1124 C PHE A 75 -2.042 -11.525 -0.032 1.00 0.00 C ATOM 1125 O PHE A 75 -3.241 -11.749 -0.104 1.00 0.00 O ATOM 1126 CB PHE A 75 -1.941 -9.780 1.806 1.00 0.00 C ATOM 1127 CG PHE A 75 -1.726 -10.943 2.743 1.00 0.00 C ATOM 1128 CD1 PHE A 75 -0.419 -11.256 3.139 1.00 0.00 C ATOM 1129 CD2 PHE A 75 -2.794 -11.780 3.120 1.00 0.00 C ATOM 1130 CE1 PHE A 75 -0.174 -12.388 3.917 1.00 0.00 C ATOM 1131 CE2 PHE A 75 -2.543 -12.936 3.879 1.00 0.00 C ATOM 1132 CZ PHE A 75 -1.227 -13.246 4.270 1.00 0.00 C ATOM 0 H PHE A 75 -3.175 -9.207 -0.617 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.481 -10.095 0.270 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.347 -8.931 2.144 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.986 -9.474 1.846 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.401 -10.619 2.841 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.804 -11.534 2.826 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.831 -12.605 4.249 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.358 -13.585 4.162 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.028 -14.142 4.840 1.00 0.00 H new ATOM 1142 N SER A 76 -1.138 -12.479 -0.259 1.00 0.00 N ATOM 1143 CA SER A 76 -1.412 -13.859 -0.714 1.00 0.00 C ATOM 1144 C SER A 76 -0.765 -14.932 0.161 1.00 0.00 C ATOM 1145 O SER A 76 0.356 -14.765 0.617 1.00 0.00 O ATOM 1146 CB SER A 76 -0.885 -14.063 -2.143 1.00 0.00 C ATOM 1147 OG SER A 76 -1.860 -13.745 -3.115 1.00 0.00 O ATOM 0 H SER A 76 -0.141 -12.310 -0.126 1.00 0.00 H new ATOM 0 HA SER A 76 -2.495 -13.971 -0.657 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.003 -13.441 -2.297 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.571 -15.099 -2.270 1.00 0.00 H new ATOM 0 HG SER A 76 -1.487 -13.886 -4.010 1.00 0.00 H new ATOM 1153 N ILE A 77 -1.435 -16.065 0.385 1.00 0.00 N ATOM 1154 CA ILE A 77 -0.853 -17.210 1.124 1.00 0.00 C ATOM 1155 C ILE A 77 -0.589 -18.375 0.160 1.00 0.00 C ATOM 1156 O ILE A 77 -1.515 -18.862 -0.494 1.00 0.00 O ATOM 1157 CB ILE A 77 -1.736 -17.636 2.317 1.00 0.00 C ATOM 1158 CG1 ILE A 77 -1.999 -16.412 3.215 1.00 0.00 C ATOM 1159 CG2 ILE A 77 -1.071 -18.812 3.061 1.00 0.00 C ATOM 1160 CD1 ILE A 77 -2.449 -16.710 4.648 1.00 0.00 C ATOM 0 H ILE A 77 -2.391 -16.224 0.065 1.00 0.00 H new ATOM 0 HA ILE A 77 0.100 -16.895 1.550 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.707 -17.995 1.976 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.087 -15.817 3.259 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.760 -15.794 2.738 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.696 -19.110 3.902 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.954 -19.654 2.379 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.092 -18.503 3.428 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.603 -15.773 5.183 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.382 -17.273 4.627 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.683 -17.296 5.156 1.00 0.00 H new ATOM 1172 N MET A 78 0.671 -18.824 0.078 1.00 0.00 N ATOM 1173 CA MET A 78 1.107 -19.958 -0.749 1.00 0.00 C ATOM 1174 C MET A 78 1.730 -21.116 0.047 1.00 0.00 C ATOM 1175 O MET A 78 2.815 -20.961 0.598 1.00 0.00 O ATOM 1176 CB MET A 78 2.035 -19.490 -1.888 1.00 0.00 C ATOM 1177 CG MET A 78 3.196 -18.576 -1.453 1.00 0.00 C ATOM 1178 SD MET A 78 4.614 -18.493 -2.588 1.00 0.00 S ATOM 1179 CE MET A 78 3.795 -18.298 -4.193 1.00 0.00 C ATOM 0 H MET A 78 1.436 -18.397 0.600 1.00 0.00 H new ATOM 0 HA MET A 78 0.198 -20.370 -1.187 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.450 -20.369 -2.381 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.436 -18.962 -2.630 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.806 -17.567 -1.316 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.554 -18.914 -0.481 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.542 -18.092 -4.960 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.261 -19.215 -4.443 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.089 -17.469 -4.143 1.00 0.00 H new ATOM 1189 N ASP A 79 1.091 -22.290 0.033 1.00 0.00 N ATOM 1190 CA ASP A 79 1.510 -23.577 0.633 1.00 0.00 C ATOM 1191 C ASP A 79 1.932 -23.567 2.125 1.00 0.00 C ATOM 1192 O ASP A 79 1.218 -24.100 2.976 1.00 0.00 O ATOM 1193 CB ASP A 79 2.613 -24.176 -0.259 1.00 0.00 C ATOM 1194 CG ASP A 79 2.931 -25.653 0.047 1.00 0.00 C ATOM 1195 OD1 ASP A 79 2.017 -26.416 0.442 1.00 0.00 O ATOM 1196 OD2 ASP A 79 4.095 -26.071 -0.164 1.00 0.00 O ATOM 0 H ASP A 79 0.190 -22.380 -0.436 1.00 0.00 H new ATOM 0 HA ASP A 79 0.613 -24.196 0.661 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.310 -24.088 -1.302 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.522 -23.587 -0.141 1.00 0.00 H new ATOM 1201 N GLU A 80 3.065 -22.942 2.454 1.00 0.00 N ATOM 1202 CA GLU A 80 3.633 -22.794 3.805 1.00 0.00 C ATOM 1203 C GLU A 80 4.133 -21.366 4.067 1.00 0.00 C ATOM 1204 O GLU A 80 4.781 -21.124 5.083 1.00 0.00 O ATOM 1205 CB GLU A 80 4.834 -23.732 4.032 1.00 0.00 C ATOM 1206 CG GLU A 80 4.643 -25.166 3.544 1.00 0.00 C ATOM 1207 CD GLU A 80 5.763 -26.092 4.061 1.00 0.00 C ATOM 1208 OE1 GLU A 80 6.909 -26.019 3.553 1.00 0.00 O ATOM 1209 OE2 GLU A 80 5.503 -26.915 4.974 1.00 0.00 O ATOM 0 H GLU A 80 3.649 -22.498 1.745 1.00 0.00 H new ATOM 0 HA GLU A 80 2.818 -23.044 4.484 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.705 -23.308 3.531 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.059 -23.755 5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.676 -25.540 3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.630 -25.182 2.454 1.00 0.00 H new ATOM 1216 N PHE A 81 3.908 -20.415 3.161 1.00 0.00 N ATOM 1217 CA PHE A 81 4.453 -19.066 3.313 1.00 0.00 C ATOM 1218 C PHE A 81 3.351 -18.028 3.063 1.00 0.00 C ATOM 1219 O PHE A 81 2.266 -18.330 2.557 1.00 0.00 O ATOM 1220 CB PHE A 81 5.560 -18.810 2.263 1.00 0.00 C ATOM 1221 CG PHE A 81 6.369 -19.999 1.777 1.00 0.00 C ATOM 1222 CD1 PHE A 81 7.056 -20.866 2.645 1.00 0.00 C ATOM 1223 CD2 PHE A 81 6.356 -20.269 0.398 1.00 0.00 C ATOM 1224 CE1 PHE A 81 7.759 -21.970 2.125 1.00 0.00 C ATOM 1225 CE2 PHE A 81 7.041 -21.374 -0.125 1.00 0.00 C ATOM 1226 CZ PHE A 81 7.755 -22.223 0.740 1.00 0.00 C ATOM 0 H PHE A 81 3.354 -20.553 2.316 1.00 0.00 H new ATOM 0 HA PHE A 81 4.854 -18.980 4.323 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.095 -18.345 1.394 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.255 -18.082 2.681 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.045 -20.685 3.710 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.811 -19.616 -0.268 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.303 -22.624 2.790 1.00 0.00 H new ATOM 0 HE2 PHE A 81 7.021 -21.573 -1.186 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.299 -23.067 0.343 1.00 0.00 H new ATOM 1236 N GLN A 82 3.673 -16.774 3.346 1.00 0.00 N ATOM 1237 CA GLN A 82 2.817 -15.618 3.114 1.00 0.00 C ATOM 1238 C GLN A 82 3.549 -14.620 2.228 1.00 0.00 C ATOM 1239 O GLN A 82 4.745 -14.420 2.394 1.00 0.00 O ATOM 1240 CB GLN A 82 2.442 -14.939 4.433 1.00 0.00 C ATOM 1241 CG GLN A 82 2.273 -15.840 5.653 1.00 0.00 C ATOM 1242 CD GLN A 82 1.583 -15.111 6.802 1.00 0.00 C ATOM 1243 OE1 GLN A 82 0.404 -15.296 7.077 1.00 0.00 O ATOM 1244 NE2 GLN A 82 2.285 -14.258 7.514 1.00 0.00 N ATOM 0 H GLN A 82 4.571 -16.524 3.759 1.00 0.00 H new ATOM 0 HA GLN A 82 1.903 -15.958 2.627 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.208 -14.198 4.662 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.509 -14.396 4.281 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.691 -16.719 5.378 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.250 -16.195 5.982 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.268 -14.097 7.293 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.847 -13.757 8.287 1.00 0.00 H new ATOM 1253 N GLU A 83 2.828 -13.956 1.339 1.00 0.00 N ATOM 1254 CA GLU A 83 3.314 -12.973 0.373 1.00 0.00 C ATOM 1255 C GLU A 83 2.607 -11.646 0.601 1.00 0.00 C ATOM 1256 O GLU A 83 1.381 -11.577 0.651 1.00 0.00 O ATOM 1257 CB GLU A 83 3.002 -13.406 -1.076 1.00 0.00 C ATOM 1258 CG GLU A 83 4.065 -14.294 -1.716 1.00 0.00 C ATOM 1259 CD GLU A 83 3.732 -14.594 -3.194 1.00 0.00 C ATOM 1260 OE1 GLU A 83 2.574 -14.966 -3.507 1.00 0.00 O ATOM 1261 OE2 GLU A 83 4.630 -14.450 -4.060 1.00 0.00 O ATOM 0 H GLU A 83 1.820 -14.096 1.265 1.00 0.00 H new ATOM 0 HA GLU A 83 4.392 -12.886 0.510 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.050 -13.937 -1.086 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.876 -12.513 -1.689 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.037 -13.805 -1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.142 -15.229 -1.162 1.00 0.00 H new ATOM 1268 N TYR A 84 3.390 -10.585 0.684 1.00 0.00 N ATOM 1269 CA TYR A 84 2.929 -9.218 0.871 1.00 0.00 C ATOM 1270 C TYR A 84 3.425 -8.363 -0.279 1.00 0.00 C ATOM 1271 O TYR A 84 4.615 -8.399 -0.590 1.00 0.00 O ATOM 1272 CB TYR A 84 3.519 -8.662 2.164 1.00 0.00 C ATOM 1273 CG TYR A 84 2.985 -9.330 3.415 1.00 0.00 C ATOM 1274 CD1 TYR A 84 3.583 -10.510 3.908 1.00 0.00 C ATOM 1275 CD2 TYR A 84 1.840 -8.804 4.044 1.00 0.00 C ATOM 1276 CE1 TYR A 84 3.053 -11.152 5.045 1.00 0.00 C ATOM 1277 CE2 TYR A 84 1.332 -9.417 5.204 1.00 0.00 C ATOM 1278 CZ TYR A 84 1.944 -10.585 5.716 1.00 0.00 C ATOM 1279 OH TYR A 84 1.444 -11.193 6.826 1.00 0.00 O ATOM 0 H TYR A 84 4.406 -10.654 0.621 1.00 0.00 H new ATOM 0 HA TYR A 84 1.840 -9.206 0.913 1.00 0.00 H new ATOM 0 HB2 TYR A 84 4.603 -8.776 2.137 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.312 -7.593 2.217 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.449 -10.922 3.412 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.352 -7.931 3.636 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.491 -12.072 5.402 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.473 -8.995 5.705 1.00 0.00 H new ATOM 0 HH TYR A 84 0.684 -10.677 7.168 1.00 0.00 H new ATOM 1289 N THR A 85 2.544 -7.592 -0.909 1.00 0.00 N ATOM 1290 CA THR A 85 2.924 -6.685 -1.993 1.00 0.00 C ATOM 1291 C THR A 85 2.155 -5.369 -1.850 1.00 0.00 C ATOM 1292 O THR A 85 0.988 -5.334 -1.464 1.00 0.00 O ATOM 1293 CB THR A 85 2.738 -7.295 -3.404 1.00 0.00 C ATOM 1294 OG1 THR A 85 1.455 -7.040 -3.932 1.00 0.00 O ATOM 1295 CG2 THR A 85 2.899 -8.824 -3.469 1.00 0.00 C ATOM 0 H THR A 85 1.549 -7.576 -0.685 1.00 0.00 H new ATOM 0 HA THR A 85 3.994 -6.498 -1.899 1.00 0.00 H new ATOM 0 HB THR A 85 3.530 -6.811 -3.976 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.382 -7.441 -4.823 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.752 -9.162 -4.495 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.900 -9.099 -3.136 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.159 -9.296 -2.822 1.00 0.00 H new ATOM 1303 N MET A 86 2.810 -4.258 -2.149 1.00 0.00 N ATOM 1304 CA MET A 86 2.258 -2.907 -2.122 1.00 0.00 C ATOM 1305 C MET A 86 2.751 -2.131 -3.343 1.00 0.00 C ATOM 1306 O MET A 86 3.878 -2.311 -3.804 1.00 0.00 O ATOM 1307 CB MET A 86 2.657 -2.228 -0.809 1.00 0.00 C ATOM 1308 CG MET A 86 2.230 -0.762 -0.719 1.00 0.00 C ATOM 1309 SD MET A 86 2.749 0.077 0.803 1.00 0.00 S ATOM 1310 CE MET A 86 4.450 0.529 0.350 1.00 0.00 C ATOM 0 H MET A 86 3.790 -4.272 -2.431 1.00 0.00 H new ATOM 0 HA MET A 86 1.169 -2.936 -2.168 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.215 -2.777 0.022 1.00 0.00 H new ATOM 0 HB3 MET A 86 3.739 -2.290 -0.693 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.639 -0.224 -1.574 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.144 -0.707 -0.798 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.992 0.845 1.241 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.950 -0.333 -0.093 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.430 1.346 -0.371 1.00 0.00 H new ATOM 1320 N LEU A 87 1.880 -1.273 -3.856 1.00 0.00 N ATOM 1321 CA LEU A 87 2.099 -0.418 -5.020 1.00 0.00 C ATOM 1322 C LEU A 87 1.245 0.864 -4.910 1.00 0.00 C ATOM 1323 O LEU A 87 0.033 0.845 -5.128 1.00 0.00 O ATOM 1324 CB LEU A 87 1.719 -1.221 -6.278 1.00 0.00 C ATOM 1325 CG LEU A 87 2.115 -0.527 -7.581 1.00 0.00 C ATOM 1326 CD1 LEU A 87 3.548 -0.879 -7.957 1.00 0.00 C ATOM 1327 CD2 LEU A 87 1.197 -0.925 -8.735 1.00 0.00 C ATOM 0 H LEU A 87 0.952 -1.146 -3.452 1.00 0.00 H new ATOM 0 HA LEU A 87 3.144 -0.114 -5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.199 -2.199 -6.235 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.643 -1.394 -6.279 1.00 0.00 H new ATOM 0 HG LEU A 87 2.023 0.546 -7.411 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.814 -0.377 -8.887 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.222 -0.555 -7.164 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.635 -1.957 -8.089 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.511 -0.411 -9.644 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.253 -2.002 -8.890 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.171 -0.646 -8.496 1.00 0.00 H new ATOM 1339 N CYS A 88 1.889 1.980 -4.591 1.00 0.00 N ATOM 1340 CA CYS A 88 1.302 3.309 -4.455 1.00 0.00 C ATOM 1341 C CYS A 88 2.267 4.370 -5.003 1.00 0.00 C ATOM 1342 O CYS A 88 3.472 4.325 -4.730 1.00 0.00 O ATOM 1343 CB CYS A 88 1.010 3.582 -2.975 1.00 0.00 C ATOM 1344 SG CYS A 88 0.401 5.288 -2.721 1.00 0.00 S ATOM 0 H CYS A 88 2.893 1.983 -4.410 1.00 0.00 H new ATOM 0 HA CYS A 88 0.374 3.355 -5.024 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.268 2.871 -2.611 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.916 3.426 -2.389 1.00 0.00 H new ATOM 1349 N LEU A 89 1.733 5.335 -5.759 1.00 0.00 N ATOM 1350 CA LEU A 89 2.491 6.461 -6.311 1.00 0.00 C ATOM 1351 C LEU A 89 3.152 7.305 -5.207 1.00 0.00 C ATOM 1352 O LEU A 89 4.264 7.797 -5.406 1.00 0.00 O ATOM 1353 CB LEU A 89 1.544 7.296 -7.202 1.00 0.00 C ATOM 1354 CG LEU A 89 2.091 8.657 -7.673 1.00 0.00 C ATOM 1355 CD1 LEU A 89 3.308 8.526 -8.570 1.00 0.00 C ATOM 1356 CD2 LEU A 89 1.068 9.445 -8.489 1.00 0.00 C ATOM 0 H LEU A 89 0.744 5.355 -6.008 1.00 0.00 H new ATOM 0 HA LEU A 89 3.314 6.085 -6.919 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.288 6.705 -8.081 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.618 7.468 -6.653 1.00 0.00 H new ATOM 0 HG LEU A 89 2.343 9.171 -6.745 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.648 9.517 -8.869 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.106 8.017 -8.029 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.046 7.949 -9.457 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.503 10.396 -8.797 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.788 8.871 -9.372 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.183 9.631 -7.881 1.00 0.00 H new ATOM 1368 N LEU A 90 2.500 7.432 -4.048 1.00 0.00 N ATOM 1369 CA LEU A 90 2.986 8.176 -2.891 1.00 0.00 C ATOM 1370 C LEU A 90 3.675 7.253 -1.888 1.00 0.00 C ATOM 1371 O LEU A 90 4.860 7.436 -1.603 1.00 0.00 O ATOM 1372 CB LEU A 90 1.786 8.866 -2.214 1.00 0.00 C ATOM 1373 CG LEU A 90 2.105 9.464 -0.828 1.00 0.00 C ATOM 1374 CD1 LEU A 90 3.216 10.504 -0.901 1.00 0.00 C ATOM 1375 CD2 LEU A 90 0.861 10.111 -0.225 1.00 0.00 C ATOM 0 H LEU A 90 1.588 7.004 -3.888 1.00 0.00 H new ATOM 0 HA LEU A 90 3.716 8.913 -3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.422 9.660 -2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.977 8.144 -2.109 1.00 0.00 H new ATOM 0 HG LEU A 90 2.440 8.641 -0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.410 10.900 0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.123 10.041 -1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.911 11.316 -1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.105 10.527 0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.511 10.907 -0.882 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.078 9.361 -0.115 1.00 0.00 H new ATOM 1387 N CYS A 91 2.932 6.315 -1.317 1.00 0.00 N ATOM 1388 CA CYS A 91 3.397 5.456 -0.247 1.00 0.00 C ATOM 1389 C CYS A 91 4.549 4.538 -0.665 1.00 0.00 C ATOM 1390 O CYS A 91 5.491 4.350 0.109 1.00 0.00 O ATOM 1391 CB CYS A 91 2.205 4.695 0.339 1.00 0.00 C ATOM 1392 SG CYS A 91 0.957 5.853 0.978 1.00 0.00 S ATOM 0 H CYS A 91 1.968 6.129 -1.594 1.00 0.00 H new ATOM 0 HA CYS A 91 3.828 6.082 0.534 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.761 4.059 -0.427 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.544 4.039 1.141 1.00 0.00 H new ATOM 1397 N GLY A 92 4.508 4.014 -1.893 1.00 0.00 N ATOM 1398 CA GLY A 92 5.607 3.246 -2.472 1.00 0.00 C ATOM 1399 C GLY A 92 5.274 1.879 -3.055 1.00 0.00 C ATOM 1400 O GLY A 92 4.157 1.373 -2.953 1.00 0.00 O ATOM 0 H GLY A 92 3.706 4.113 -2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.060 3.847 -3.260 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.365 3.108 -1.701 1.00 0.00 H new ATOM 1404 N LYS A 93 6.297 1.263 -3.651 1.00 0.00 N ATOM 1405 CA LYS A 93 6.271 -0.089 -4.215 1.00 0.00 C ATOM 1406 C LYS A 93 7.168 -1.019 -3.405 1.00 0.00 C ATOM 1407 O LYS A 93 8.371 -0.796 -3.302 1.00 0.00 O ATOM 1408 CB LYS A 93 6.670 -0.012 -5.686 1.00 0.00 C ATOM 1409 CG LYS A 93 7.038 -1.367 -6.318 1.00 0.00 C ATOM 1410 CD LYS A 93 7.446 -1.223 -7.796 1.00 0.00 C ATOM 1411 CE LYS A 93 8.937 -0.931 -8.054 1.00 0.00 C ATOM 1412 NZ LYS A 93 9.409 0.380 -7.530 1.00 0.00 N ATOM 0 H LYS A 93 7.206 1.712 -3.759 1.00 0.00 H new ATOM 0 HA LYS A 93 5.267 -0.510 -4.160 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.847 0.427 -6.250 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.520 0.664 -5.784 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.858 -1.817 -5.758 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.188 -2.046 -6.241 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.179 -2.142 -8.318 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.856 -0.421 -8.240 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.533 -1.724 -7.603 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.121 -0.966 -9.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.137 0.766 -8.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.608 1.042 -7.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.812 0.249 -6.580 1.00 0.00 H new ATOM 1426 N ALA A 94 6.578 -2.049 -2.814 1.00 0.00 N ATOM 1427 CA ALA A 94 7.274 -3.020 -1.979 1.00 0.00 C ATOM 1428 C ALA A 94 6.750 -4.461 -2.115 1.00 0.00 C ATOM 1429 O ALA A 94 5.599 -4.678 -2.492 1.00 0.00 O ATOM 1430 CB ALA A 94 7.190 -2.525 -0.533 1.00 0.00 C ATOM 0 H ALA A 94 5.580 -2.237 -2.903 1.00 0.00 H new ATOM 0 HA ALA A 94 8.309 -3.083 -2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.702 -3.229 0.123 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.664 -1.546 -0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.144 -2.447 -0.235 1.00 0.00 H new ATOM 1436 N GLU A 95 7.583 -5.448 -1.777 1.00 0.00 N ATOM 1437 CA GLU A 95 7.205 -6.868 -1.731 1.00 0.00 C ATOM 1438 C GLU A 95 8.038 -7.622 -0.680 1.00 0.00 C ATOM 1439 O GLU A 95 9.249 -7.416 -0.576 1.00 0.00 O ATOM 1440 CB GLU A 95 7.378 -7.484 -3.130 1.00 0.00 C ATOM 1441 CG GLU A 95 7.087 -8.989 -3.206 1.00 0.00 C ATOM 1442 CD GLU A 95 7.210 -9.491 -4.658 1.00 0.00 C ATOM 1443 OE1 GLU A 95 6.219 -9.406 -5.423 1.00 0.00 O ATOM 1444 OE2 GLU A 95 8.303 -9.971 -5.048 1.00 0.00 O ATOM 0 H GLU A 95 8.557 -5.283 -1.523 1.00 0.00 H new ATOM 0 HA GLU A 95 6.159 -6.954 -1.435 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.719 -6.964 -3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.400 -7.307 -3.467 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.783 -9.532 -2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.084 -9.191 -2.829 1.00 0.00 H new ATOM 1451 N ASP A 96 7.394 -8.501 0.092 1.00 0.00 N ATOM 1452 CA ASP A 96 7.995 -9.344 1.129 1.00 0.00 C ATOM 1453 C ASP A 96 7.367 -10.745 1.157 1.00 0.00 C ATOM 1454 O ASP A 96 6.187 -10.901 0.836 1.00 0.00 O ATOM 1455 CB ASP A 96 7.816 -8.696 2.514 1.00 0.00 C ATOM 1456 CG ASP A 96 8.903 -9.154 3.501 1.00 0.00 C ATOM 1457 OD1 ASP A 96 10.107 -9.061 3.163 1.00 0.00 O ATOM 1458 OD2 ASP A 96 8.555 -9.606 4.617 1.00 0.00 O ATOM 0 H ASP A 96 6.389 -8.652 0.007 1.00 0.00 H new ATOM 0 HA ASP A 96 9.054 -9.439 0.891 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.848 -7.611 2.415 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.833 -8.951 2.911 1.00 0.00 H new ATOM 1463 N THR A 97 8.116 -11.758 1.600 1.00 0.00 N ATOM 1464 CA THR A 97 7.589 -13.124 1.772 1.00 0.00 C ATOM 1465 C THR A 97 8.063 -13.721 3.101 1.00 0.00 C ATOM 1466 O THR A 97 9.244 -13.619 3.444 1.00 0.00 O ATOM 1467 CB THR A 97 7.956 -14.064 0.610 1.00 0.00 C ATOM 1468 OG1 THR A 97 7.977 -13.402 -0.641 1.00 0.00 O ATOM 1469 CG2 THR A 97 6.937 -15.196 0.491 1.00 0.00 C ATOM 0 H THR A 97 9.100 -11.661 1.850 1.00 0.00 H new ATOM 0 HA THR A 97 6.503 -13.035 1.777 1.00 0.00 H new ATOM 0 HB THR A 97 8.952 -14.441 0.841 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.217 -14.040 -1.345 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.214 -15.850 -0.336 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.921 -15.770 1.417 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.948 -14.777 0.307 1.00 0.00 H new ATOM 1477 N ILE A 98 7.145 -14.328 3.865 1.00 0.00 N ATOM 1478 CA ILE A 98 7.391 -14.897 5.203 1.00 0.00 C ATOM 1479 C ILE A 98 7.037 -16.381 5.243 1.00 0.00 C ATOM 1480 O ILE A 98 5.914 -16.750 4.916 1.00 0.00 O ATOM 1481 CB ILE A 98 6.547 -14.158 6.269 1.00 0.00 C ATOM 1482 CG1 ILE A 98 6.535 -12.628 6.061 1.00 0.00 C ATOM 1483 CG2 ILE A 98 7.027 -14.541 7.671 1.00 0.00 C ATOM 1484 CD1 ILE A 98 5.864 -11.816 7.177 1.00 0.00 C ATOM 0 H ILE A 98 6.178 -14.442 3.561 1.00 0.00 H new ATOM 0 HA ILE A 98 8.452 -14.775 5.419 1.00 0.00 H new ATOM 0 HB ILE A 98 5.511 -14.478 6.157 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.564 -12.285 5.954 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.027 -12.410 5.121 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.428 -14.017 8.416 1.00 0.00 H new ATOM 0 HG22 ILE A 98 6.920 -15.617 7.811 1.00 0.00 H new ATOM 0 HG23 ILE A 98 8.075 -14.262 7.786 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.910 -10.755 6.933 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.822 -12.122 7.273 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.383 -11.994 8.119 1.00 0.00 H new ATOM 1496 N SER A 99 7.938 -17.241 5.703 1.00 0.00 N ATOM 1497 CA SER A 99 7.666 -18.678 5.865 1.00 0.00 C ATOM 1498 C SER A 99 7.018 -18.956 7.227 1.00 0.00 C ATOM 1499 O SER A 99 7.480 -18.455 8.257 1.00 0.00 O ATOM 1500 CB SER A 99 8.942 -19.495 5.652 1.00 0.00 C ATOM 1501 OG SER A 99 10.006 -19.037 6.475 1.00 0.00 O ATOM 0 H SER A 99 8.882 -16.968 5.977 1.00 0.00 H new ATOM 0 HA SER A 99 6.953 -18.990 5.102 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.742 -20.545 5.868 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.241 -19.436 4.605 1.00 0.00 H new ATOM 0 HG SER A 99 10.803 -19.583 6.313 1.00 0.00 H new ATOM 1507 N ILE A 100 5.931 -19.735 7.239 1.00 0.00 N ATOM 1508 CA ILE A 100 5.128 -20.043 8.437 1.00 0.00 C ATOM 1509 C ILE A 100 4.812 -21.546 8.588 1.00 0.00 C ATOM 1510 O ILE A 100 5.131 -22.363 7.724 1.00 0.00 O ATOM 1511 CB ILE A 100 3.863 -19.138 8.503 1.00 0.00 C ATOM 1512 CG1 ILE A 100 2.913 -19.180 7.281 1.00 0.00 C ATOM 1513 CG2 ILE A 100 4.281 -17.672 8.723 1.00 0.00 C ATOM 1514 CD1 ILE A 100 2.118 -20.482 7.119 1.00 0.00 C ATOM 0 H ILE A 100 5.572 -20.183 6.396 1.00 0.00 H new ATOM 0 HA ILE A 100 5.740 -19.805 9.307 1.00 0.00 H new ATOM 0 HB ILE A 100 3.295 -19.553 9.335 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.210 -18.351 7.358 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.501 -19.017 6.378 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.392 -17.043 8.768 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.833 -17.588 9.659 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.914 -17.346 7.898 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.483 -20.413 6.236 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.808 -21.318 7.005 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.497 -20.641 8.001 1.00 0.00 H new ATOM 1526 N LEU A 101 4.201 -21.926 9.715 1.00 0.00 N ATOM 1527 CA LEU A 101 3.826 -23.296 10.075 1.00 0.00 C ATOM 1528 C LEU A 101 2.474 -23.310 10.823 1.00 0.00 C ATOM 1529 O LEU A 101 2.115 -22.300 11.441 1.00 0.00 O ATOM 1530 CB LEU A 101 4.928 -23.833 11.008 1.00 0.00 C ATOM 1531 CG LEU A 101 6.270 -24.196 10.345 1.00 0.00 C ATOM 1532 CD1 LEU A 101 7.277 -24.582 11.429 1.00 0.00 C ATOM 1533 CD2 LEU A 101 6.139 -25.375 9.378 1.00 0.00 C ATOM 0 H LEU A 101 3.942 -21.253 10.436 1.00 0.00 H new ATOM 0 HA LEU A 101 3.724 -23.909 9.179 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.118 -23.085 11.778 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.546 -24.720 11.513 1.00 0.00 H new ATOM 0 HG LEU A 101 6.601 -23.323 9.782 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.229 -24.840 10.966 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.420 -23.742 12.109 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.901 -25.440 11.987 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.111 -25.593 8.936 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.782 -26.251 9.919 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.430 -25.122 8.589 1.00 0.00 H new ATOM 1545 N PRO A 102 1.739 -24.442 10.838 1.00 0.00 N ATOM 1546 CA PRO A 102 0.475 -24.568 11.576 1.00 0.00 C ATOM 1547 C PRO A 102 0.654 -24.470 13.106 1.00 0.00 C ATOM 1548 O PRO A 102 -0.312 -24.239 13.834 1.00 0.00 O ATOM 1549 CB PRO A 102 -0.112 -25.917 11.148 1.00 0.00 C ATOM 1550 CG PRO A 102 1.117 -26.740 10.766 1.00 0.00 C ATOM 1551 CD PRO A 102 2.061 -25.696 10.169 1.00 0.00 C ATOM 0 HA PRO A 102 -0.195 -23.742 11.339 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.672 -26.385 11.957 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -0.798 -25.807 10.308 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.557 -27.233 11.633 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.872 -27.520 10.046 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.103 -25.971 10.334 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.920 -25.612 9.091 1.00 0.00 H new ATOM 1559 N ASP A 103 1.890 -24.607 13.598 1.00 0.00 N ATOM 1560 CA ASP A 103 2.285 -24.484 15.010 1.00 0.00 C ATOM 1561 C ASP A 103 2.338 -23.015 15.512 1.00 0.00 C ATOM 1562 O ASP A 103 2.694 -22.769 16.664 1.00 0.00 O ATOM 1563 CB ASP A 103 3.648 -25.182 15.172 1.00 0.00 C ATOM 1564 CG ASP A 103 4.041 -25.426 16.641 1.00 0.00 C ATOM 1565 OD1 ASP A 103 3.256 -26.070 17.381 1.00 0.00 O ATOM 1566 OD2 ASP A 103 5.162 -25.034 17.046 1.00 0.00 O ATOM 0 H ASP A 103 2.684 -24.817 12.993 1.00 0.00 H new ATOM 0 HA ASP A 103 1.526 -24.961 15.630 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.623 -26.137 14.647 1.00 0.00 H new ATOM 0 HB3 ASP A 103 4.417 -24.575 14.694 1.00 0.00 H new ATOM 1571 N ASP A 104 1.985 -22.038 14.662 1.00 0.00 N ATOM 1572 CA ASP A 104 1.985 -20.590 14.942 1.00 0.00 C ATOM 1573 C ASP A 104 3.355 -20.053 15.439 1.00 0.00 C ATOM 1574 O ASP A 104 3.489 -19.650 16.599 1.00 0.00 O ATOM 1575 CB ASP A 104 0.786 -20.228 15.845 1.00 0.00 C ATOM 1576 CG ASP A 104 0.623 -18.715 16.062 1.00 0.00 C ATOM 1577 OD1 ASP A 104 0.918 -17.927 15.133 1.00 0.00 O ATOM 1578 OD2 ASP A 104 0.175 -18.304 17.161 1.00 0.00 O ATOM 0 H ASP A 104 1.676 -22.245 13.712 1.00 0.00 H new ATOM 0 HA ASP A 104 1.846 -20.061 13.999 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -0.127 -20.625 15.401 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.908 -20.716 16.812 1.00 0.00 H new ATOM 1583 N PRO A 105 4.402 -20.060 14.581 1.00 0.00 N ATOM 1584 CA PRO A 105 5.760 -19.635 14.945 1.00 0.00 C ATOM 1585 C PRO A 105 5.950 -18.113 15.095 1.00 0.00 C ATOM 1586 O PRO A 105 6.985 -17.680 15.608 1.00 0.00 O ATOM 1587 CB PRO A 105 6.653 -20.182 13.824 1.00 0.00 C ATOM 1588 CG PRO A 105 5.740 -20.148 12.602 1.00 0.00 C ATOM 1589 CD PRO A 105 4.378 -20.509 13.192 1.00 0.00 C ATOM 0 HA PRO A 105 6.006 -20.019 15.935 1.00 0.00 H new ATOM 0 HB2 PRO A 105 7.541 -19.567 13.680 1.00 0.00 H new ATOM 0 HB3 PRO A 105 6.998 -21.193 14.041 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.730 -19.165 12.131 1.00 0.00 H new ATOM 0 HG3 PRO A 105 6.054 -20.863 11.841 1.00 0.00 H new ATOM 0 HD2 PRO A 105 3.574 -20.023 12.640 1.00 0.00 H new ATOM 0 HD3 PRO A 105 4.201 -21.583 13.133 1.00 0.00 H new ATOM 1597 N ARG A 106 4.976 -17.298 14.652 1.00 0.00 N ATOM 1598 CA ARG A 106 4.984 -15.814 14.695 1.00 0.00 C ATOM 1599 C ARG A 106 6.276 -15.197 14.125 1.00 0.00 C ATOM 1600 O ARG A 106 6.846 -14.256 14.682 1.00 0.00 O ATOM 1601 CB ARG A 106 4.605 -15.315 16.109 1.00 0.00 C ATOM 1602 CG ARG A 106 3.231 -15.854 16.527 1.00 0.00 C ATOM 1603 CD ARG A 106 2.761 -15.355 17.894 1.00 0.00 C ATOM 1604 NE ARG A 106 1.524 -16.062 18.259 1.00 0.00 N ATOM 1605 CZ ARG A 106 0.755 -15.902 19.313 1.00 0.00 C ATOM 1606 NH1 ARG A 106 0.979 -14.999 20.228 1.00 0.00 N ATOM 1607 NH2 ARG A 106 -0.270 -16.689 19.438 1.00 0.00 N ATOM 0 H ARG A 106 4.121 -17.666 14.235 1.00 0.00 H new ATOM 0 HA ARG A 106 4.211 -15.451 14.018 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.360 -15.635 16.827 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.593 -14.225 16.124 1.00 0.00 H new ATOM 0 HG2 ARG A 106 2.495 -15.570 15.774 1.00 0.00 H new ATOM 0 HG3 ARG A 106 3.268 -16.943 16.541 1.00 0.00 H new ATOM 0 HD2 ARG A 106 3.531 -15.531 18.645 1.00 0.00 H new ATOM 0 HD3 ARG A 106 2.586 -14.280 17.863 1.00 0.00 H new ATOM 0 HE ARG A 106 1.219 -16.779 17.600 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.782 -14.376 20.144 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.351 -14.916 21.027 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.455 -17.401 18.732 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -0.890 -16.595 20.243 1.00 0.00 H new ATOM 1621 N GLN A 107 6.727 -15.763 13.001 1.00 0.00 N ATOM 1622 CA GLN A 107 7.929 -15.418 12.229 1.00 0.00 C ATOM 1623 C GLN A 107 8.188 -13.903 12.145 1.00 0.00 C ATOM 1624 O GLN A 107 9.334 -13.444 12.246 1.00 0.00 O ATOM 1625 CB GLN A 107 7.769 -16.046 10.831 1.00 0.00 C ATOM 1626 CG GLN A 107 9.032 -16.019 9.955 1.00 0.00 C ATOM 1627 CD GLN A 107 10.052 -17.072 10.379 1.00 0.00 C ATOM 1628 OE1 GLN A 107 10.945 -16.835 11.183 1.00 0.00 O ATOM 1629 NE2 GLN A 107 9.947 -18.275 9.859 1.00 0.00 N ATOM 0 H GLN A 107 6.221 -16.537 12.571 1.00 0.00 H new ATOM 0 HA GLN A 107 8.807 -15.816 12.738 1.00 0.00 H new ATOM 0 HB2 GLN A 107 7.450 -17.082 10.949 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.970 -15.524 10.305 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.753 -16.184 8.914 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.489 -15.031 10.010 1.00 0.00 H new ATOM 0 HE21 GLN A 107 9.205 -18.478 9.189 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.607 -19.005 10.126 1.00 0.00 H new TER 1638 GLN A 107 HETATM 1639 ZN ZN A 108 -1.728 17.529 -6.396 1.00 0.00 ZN HETATM 1640 ZN ZN A 109 -4.158 20.153 -3.653 1.00 0.00 ZN HETATM 1641 ZN ZN A 110 -0.533 5.321 -0.656 1.00 0.00 ZN