USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 660 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 LYS NZ :NH3+ 135:sc= -5.66! (180deg=-0.253) USER MOD Set 1.2: A 84 MET CE :methyl -145:sc= -24.3! (180deg=-16.5!) USER MOD Set 2.1: A 9 THR OG1 : rot -82:sc= -2.42! USER MOD Set 2.2: A 16 CYS SG : rot -45:sc= -1.88! USER MOD Set 3.1: A 10 SER OG : rot 143:sc= -0.414 USER MOD Set 3.2: A 12 THR OG1 : rot -43:sc= 0.473! USER MOD Set 3.3: A 13 CYS SG : rot -31:sc= 1.21! USER MOD Set 4.1: A 4 ASN : amide:sc= -16.1! C(o=-44!,f=-43!) USER MOD Set 4.2: A 62 ASN : amide:sc= -28! C(o=-44!,f=-43!) USER MOD Single : A 1 MET CE :methyl -135:sc= -1.86! (180deg=-2.79!) USER MOD Single : A 1 MET N :NH3+ 152:sc= -0.295! (180deg=-2.38!) USER MOD Single : A 15 TYR OH : rot 126:sc= -1.73! USER MOD Single : A 18 MET CE :methyl -145:sc= -0.444 (180deg=-2.21!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -138:sc= 1.15 (180deg=0.165) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 141:sc= -11! (180deg=-15!) USER MOD Single : A 51 TYR OH : rot -165:sc= -5.4! USER MOD Single : A 54 MET CE :methyl -158:sc= -0.212 (180deg=-0.526) USER MOD Single : A 72 SER OG : rot 58:sc= -4.5! USER MOD Single : A 81 ASN : amide:sc= 0.0822 X(o=0.082,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.150 -5.002 9.266 1.00 0.00 N ATOM 2 CA MET A 1 -10.052 -3.929 8.757 1.00 0.00 C ATOM 3 C MET A 1 -10.640 -4.329 7.402 1.00 0.00 C ATOM 4 O MET A 1 -10.504 -5.453 6.962 1.00 0.00 O ATOM 5 CB MET A 1 -9.162 -2.692 8.612 1.00 0.00 C ATOM 6 CG MET A 1 -7.757 -3.116 8.179 1.00 0.00 C ATOM 7 SD MET A 1 -6.832 -3.698 9.622 1.00 0.00 S ATOM 8 CE MET A 1 -5.976 -2.146 9.984 1.00 0.00 C ATOM 0 H1 MET A 1 -8.423 -4.582 9.879 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.705 -5.693 9.810 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.693 -5.480 8.464 1.00 0.00 H new ATOM 0 HA MET A 1 -10.893 -3.748 9.427 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.589 -2.009 7.878 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.114 -2.153 9.558 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.818 -3.906 7.430 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.239 -2.277 7.716 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.925 -2.349 10.190 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.055 -1.478 9.126 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.431 -1.674 10.855 1.00 0.00 H new ATOM 20 N VAL A 2 -11.292 -3.416 6.737 1.00 0.00 N ATOM 21 CA VAL A 2 -11.886 -3.738 5.412 1.00 0.00 C ATOM 22 C VAL A 2 -10.832 -3.576 4.315 1.00 0.00 C ATOM 23 O VAL A 2 -9.816 -4.242 4.313 1.00 0.00 O ATOM 24 CB VAL A 2 -13.013 -2.721 5.229 1.00 0.00 C ATOM 25 CG1 VAL A 2 -12.430 -1.307 5.217 1.00 0.00 C ATOM 26 CG2 VAL A 2 -13.737 -2.988 3.909 1.00 0.00 C ATOM 0 H VAL A 2 -11.439 -2.458 7.056 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.251 -4.764 5.356 1.00 0.00 H new ATOM 0 HB VAL A 2 -13.720 -2.814 6.053 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -13.234 -0.583 5.086 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -11.919 -1.116 6.161 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -11.720 -1.213 4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.540 -2.262 3.781 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -13.032 -2.899 3.083 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -14.156 -3.994 3.921 1.00 0.00 H new ATOM 36 N VAL A 3 -11.074 -2.707 3.373 1.00 0.00 N ATOM 37 CA VAL A 3 -10.094 -2.497 2.281 1.00 0.00 C ATOM 38 C VAL A 3 -9.137 -1.357 2.638 1.00 0.00 C ATOM 39 O VAL A 3 -9.497 -0.195 2.565 1.00 0.00 O ATOM 40 CB VAL A 3 -10.969 -2.122 1.096 1.00 0.00 C ATOM 41 CG1 VAL A 3 -10.094 -1.703 -0.086 1.00 0.00 C ATOM 42 CG2 VAL A 3 -11.827 -3.324 0.702 1.00 0.00 C ATOM 0 H VAL A 3 -11.915 -2.132 3.316 1.00 0.00 H new ATOM 0 HA VAL A 3 -9.468 -3.367 2.086 1.00 0.00 H new ATOM 0 HB VAL A 3 -11.614 -1.288 1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.728 -1.436 -0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.486 -0.844 0.198 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.443 -2.530 -0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -12.456 -3.059 -0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -11.181 -4.158 0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -12.457 -3.613 1.543 1.00 0.00 H new ATOM 52 N ASN A 4 -7.916 -1.668 2.989 1.00 0.00 N ATOM 53 CA ASN A 4 -6.957 -0.579 3.332 1.00 0.00 C ATOM 54 C ASN A 4 -5.661 -0.767 2.548 1.00 0.00 C ATOM 55 O ASN A 4 -4.889 -1.665 2.791 1.00 0.00 O ATOM 56 CB ASN A 4 -6.689 -0.772 4.829 1.00 0.00 C ATOM 57 CG ASN A 4 -5.973 0.461 5.381 1.00 0.00 C ATOM 58 OD1 ASN A 4 -5.985 1.510 4.767 1.00 0.00 O ATOM 59 ND2 ASN A 4 -5.346 0.381 6.523 1.00 0.00 N ATOM 0 H ASN A 4 -7.546 -2.616 3.052 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.343 0.413 3.096 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.628 -0.929 5.360 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.080 -1.662 4.989 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -4.866 1.199 6.900 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.336 -0.499 7.039 1.00 0.00 H new ATOM 66 N ILE A 5 -5.423 0.083 1.593 1.00 0.00 N ATOM 67 CA ILE A 5 -4.184 -0.018 0.780 1.00 0.00 C ATOM 68 C ILE A 5 -3.402 1.291 0.837 1.00 0.00 C ATOM 69 O ILE A 5 -3.988 2.353 0.705 1.00 0.00 O ATOM 70 CB ILE A 5 -4.634 -0.340 -0.634 1.00 0.00 C ATOM 71 CG1 ILE A 5 -6.134 -0.646 -0.635 1.00 0.00 C ATOM 72 CG2 ILE A 5 -3.866 -1.556 -1.159 1.00 0.00 C ATOM 73 CD1 ILE A 5 -6.373 -2.053 -0.086 1.00 0.00 C ATOM 0 H ILE A 5 -6.042 0.853 1.338 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.514 -0.792 1.156 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.435 0.517 -1.278 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.665 0.087 -0.028 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.530 -0.568 -1.647 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.193 -1.782 -2.174 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.798 -1.338 -1.162 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.060 -2.414 -0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.442 -2.268 -0.088 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.856 -2.780 -0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.992 -2.115 0.933 1.00 0.00 H new ATOM 85 N GLU A 6 -2.106 1.252 0.985 1.00 0.00 N ATOM 86 CA GLU A 6 -1.370 2.541 1.008 1.00 0.00 C ATOM 87 C GLU A 6 -0.275 2.503 -0.063 1.00 0.00 C ATOM 88 O GLU A 6 0.797 1.975 0.118 1.00 0.00 O ATOM 89 CB GLU A 6 -0.723 2.576 2.410 1.00 0.00 C ATOM 90 CG GLU A 6 -0.563 4.030 2.853 1.00 0.00 C ATOM 91 CD GLU A 6 -1.920 4.734 2.802 1.00 0.00 C ATOM 92 OE1 GLU A 6 -2.251 5.267 1.756 1.00 0.00 O ATOM 93 OE2 GLU A 6 -2.608 4.724 3.809 1.00 0.00 O ATOM 0 H GLU A 6 -1.541 0.409 1.088 1.00 0.00 H new ATOM 0 HA GLU A 6 -2.004 3.406 0.816 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.342 2.032 3.123 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.248 2.081 2.388 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.159 4.070 3.865 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.148 4.542 2.205 1.00 0.00 H new ATOM 100 N VAL A 7 -0.512 3.186 -1.161 1.00 0.00 N ATOM 101 CA VAL A 7 0.500 3.178 -2.251 1.00 0.00 C ATOM 102 C VAL A 7 1.410 4.395 -2.075 1.00 0.00 C ATOM 103 O VAL A 7 1.058 5.521 -2.304 1.00 0.00 O ATOM 104 CB VAL A 7 -0.314 3.353 -3.550 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.121 2.083 -3.816 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.269 4.541 -3.409 1.00 0.00 C ATOM 0 H VAL A 7 -1.350 3.738 -1.342 1.00 0.00 H new ATOM 0 HA VAL A 7 1.107 2.273 -2.257 1.00 0.00 H new ATOM 0 HB VAL A 7 0.368 3.537 -4.380 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.697 2.204 -4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.443 1.236 -3.922 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.800 1.902 -2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.841 4.659 -4.329 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.952 4.363 -2.578 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.696 5.448 -3.219 1.00 0.00 H new ATOM 116 N PHE A 8 2.614 4.138 -1.593 1.00 0.00 N ATOM 117 CA PHE A 8 3.571 5.254 -1.363 1.00 0.00 C ATOM 118 C PHE A 8 4.803 5.069 -2.247 1.00 0.00 C ATOM 119 O PHE A 8 5.812 4.540 -1.829 1.00 0.00 O ATOM 120 CB PHE A 8 3.944 5.132 0.118 1.00 0.00 C ATOM 121 CG PHE A 8 5.356 5.619 0.337 1.00 0.00 C ATOM 122 CD1 PHE A 8 5.613 6.990 0.438 1.00 0.00 C ATOM 123 CD2 PHE A 8 6.407 4.700 0.445 1.00 0.00 C ATOM 124 CE1 PHE A 8 6.919 7.444 0.647 1.00 0.00 C ATOM 125 CE2 PHE A 8 7.715 5.156 0.657 1.00 0.00 C ATOM 126 CZ PHE A 8 7.969 6.527 0.759 1.00 0.00 C ATOM 0 H PHE A 8 2.962 3.209 -1.355 1.00 0.00 H new ATOM 0 HA PHE A 8 3.153 6.232 -1.603 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.251 5.715 0.725 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.854 4.094 0.440 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.802 7.699 0.355 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.210 3.641 0.365 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.117 8.503 0.722 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.527 4.449 0.742 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.977 6.878 0.924 1.00 0.00 H new ATOM 136 N THR A 9 4.726 5.522 -3.467 1.00 0.00 N ATOM 137 CA THR A 9 5.886 5.383 -4.392 1.00 0.00 C ATOM 138 C THR A 9 6.348 6.763 -4.857 1.00 0.00 C ATOM 139 O THR A 9 7.504 7.112 -4.734 1.00 0.00 O ATOM 140 CB THR A 9 5.358 4.566 -5.574 1.00 0.00 C ATOM 141 OG1 THR A 9 4.222 3.819 -5.162 1.00 0.00 O ATOM 142 CG2 THR A 9 6.448 3.612 -6.065 1.00 0.00 C ATOM 0 H THR A 9 3.908 5.984 -3.865 1.00 0.00 H new ATOM 0 HA THR A 9 6.741 4.901 -3.917 1.00 0.00 H new ATOM 0 HB THR A 9 5.076 5.239 -6.384 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.515 3.000 -4.711 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.071 3.031 -6.907 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.319 4.186 -6.382 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.732 2.938 -5.257 1.00 0.00 H new ATOM 150 N SER A 10 5.452 7.555 -5.382 1.00 0.00 N ATOM 151 CA SER A 10 5.846 8.916 -5.845 1.00 0.00 C ATOM 152 C SER A 10 4.639 9.653 -6.434 1.00 0.00 C ATOM 153 O SER A 10 3.716 9.038 -6.930 1.00 0.00 O ATOM 154 CB SER A 10 6.908 8.680 -6.917 1.00 0.00 C ATOM 155 OG SER A 10 6.273 8.504 -8.177 1.00 0.00 O ATOM 0 H SER A 10 4.468 7.319 -5.510 1.00 0.00 H new ATOM 0 HA SER A 10 6.221 9.533 -5.029 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.594 9.526 -6.958 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.501 7.800 -6.670 1.00 0.00 H new ATOM 0 HG SER A 10 6.811 8.929 -8.877 1.00 0.00 H new ATOM 161 N PRO A 11 4.693 10.955 -6.355 1.00 0.00 N ATOM 162 CA PRO A 11 3.600 11.800 -6.880 1.00 0.00 C ATOM 163 C PRO A 11 3.791 12.040 -8.379 1.00 0.00 C ATOM 164 O PRO A 11 2.842 12.220 -9.117 1.00 0.00 O ATOM 165 CB PRO A 11 3.756 13.100 -6.101 1.00 0.00 C ATOM 166 CG PRO A 11 5.200 13.156 -5.691 1.00 0.00 C ATOM 167 CD PRO A 11 5.769 11.757 -5.772 1.00 0.00 C ATOM 0 HA PRO A 11 2.613 11.352 -6.764 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.490 13.960 -6.716 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.101 13.116 -5.230 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.755 13.830 -6.344 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.292 13.546 -4.677 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.665 11.729 -6.392 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.051 11.386 -4.787 1.00 0.00 H new ATOM 175 N THR A 12 5.013 12.043 -8.832 1.00 0.00 N ATOM 176 CA THR A 12 5.273 12.270 -10.282 1.00 0.00 C ATOM 177 C THR A 12 5.031 10.978 -11.064 1.00 0.00 C ATOM 178 O THR A 12 4.880 10.988 -12.269 1.00 0.00 O ATOM 179 CB THR A 12 6.745 12.679 -10.361 1.00 0.00 C ATOM 180 OG1 THR A 12 7.536 11.539 -10.665 1.00 0.00 O ATOM 181 CG2 THR A 12 7.188 13.266 -9.020 1.00 0.00 C ATOM 0 H THR A 12 5.845 11.898 -8.260 1.00 0.00 H new ATOM 0 HA THR A 12 4.618 13.029 -10.709 1.00 0.00 H new ATOM 0 HB THR A 12 6.871 13.429 -11.142 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.231 10.777 -10.129 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.237 13.557 -9.079 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.581 14.141 -8.788 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.062 12.519 -8.236 1.00 0.00 H new ATOM 189 N CYS A 13 4.989 9.867 -10.383 1.00 0.00 N ATOM 190 CA CYS A 13 4.751 8.572 -11.081 1.00 0.00 C ATOM 191 C CYS A 13 3.551 7.855 -10.457 1.00 0.00 C ATOM 192 O CYS A 13 2.943 8.354 -9.531 1.00 0.00 O ATOM 193 CB CYS A 13 6.031 7.764 -10.864 1.00 0.00 C ATOM 194 SG CYS A 13 7.435 8.893 -10.689 1.00 0.00 S ATOM 0 H CYS A 13 5.109 9.799 -9.372 1.00 0.00 H new ATOM 0 HA CYS A 13 4.530 8.705 -12.140 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.936 7.144 -9.972 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.195 7.090 -11.705 1.00 0.00 H new ATOM 0 HG CYS A 13 7.225 9.960 -11.401 1.00 0.00 H new ATOM 200 N PRO A 14 3.249 6.705 -10.992 1.00 0.00 N ATOM 201 CA PRO A 14 2.113 5.908 -10.487 1.00 0.00 C ATOM 202 C PRO A 14 2.540 5.075 -9.274 1.00 0.00 C ATOM 203 O PRO A 14 3.318 4.149 -9.391 1.00 0.00 O ATOM 204 CB PRO A 14 1.769 5.004 -11.664 1.00 0.00 C ATOM 205 CG PRO A 14 3.034 4.881 -12.462 1.00 0.00 C ATOM 206 CD PRO A 14 3.928 6.049 -12.110 1.00 0.00 C ATOM 0 HA PRO A 14 1.273 6.519 -10.157 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.425 4.028 -11.321 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.966 5.431 -12.265 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.534 3.938 -12.239 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.812 4.880 -13.529 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.926 5.714 -11.827 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.047 6.727 -12.955 1.00 0.00 H new ATOM 214 N TYR A 15 2.037 5.394 -8.113 1.00 0.00 N ATOM 215 CA TYR A 15 2.413 4.613 -6.900 1.00 0.00 C ATOM 216 C TYR A 15 2.254 3.113 -7.180 1.00 0.00 C ATOM 217 O TYR A 15 2.951 2.547 -7.999 1.00 0.00 O ATOM 218 CB TYR A 15 1.429 5.064 -5.819 1.00 0.00 C ATOM 219 CG TYR A 15 1.239 6.560 -5.897 1.00 0.00 C ATOM 220 CD1 TYR A 15 2.155 7.416 -5.273 1.00 0.00 C ATOM 221 CD2 TYR A 15 0.147 7.092 -6.594 1.00 0.00 C ATOM 222 CE1 TYR A 15 1.978 8.803 -5.346 1.00 0.00 C ATOM 223 CE2 TYR A 15 -0.029 8.478 -6.666 1.00 0.00 C ATOM 224 CZ TYR A 15 0.886 9.334 -6.042 1.00 0.00 C ATOM 225 OH TYR A 15 0.712 10.701 -6.113 1.00 0.00 O ATOM 0 H TYR A 15 1.383 6.160 -7.952 1.00 0.00 H new ATOM 0 HA TYR A 15 3.448 4.778 -6.600 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.472 4.559 -5.951 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.803 4.786 -4.834 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.998 7.006 -4.736 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.559 6.432 -7.076 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.684 9.463 -4.865 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.871 8.888 -7.203 1.00 0.00 H new ATOM 0 HH TYR A 15 0.630 10.972 -7.051 1.00 0.00 H new ATOM 235 N CYS A 16 1.335 2.467 -6.512 1.00 0.00 N ATOM 236 CA CYS A 16 1.120 1.007 -6.743 1.00 0.00 C ATOM 237 C CYS A 16 -0.315 0.620 -6.363 1.00 0.00 C ATOM 238 O CYS A 16 -0.542 -0.414 -5.768 1.00 0.00 O ATOM 239 CB CYS A 16 2.122 0.298 -5.829 1.00 0.00 C ATOM 240 SG CYS A 16 2.980 1.509 -4.792 1.00 0.00 S ATOM 0 H CYS A 16 0.722 2.888 -5.814 1.00 0.00 H new ATOM 0 HA CYS A 16 1.263 0.733 -7.788 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.604 -0.428 -5.202 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.844 -0.256 -6.428 1.00 0.00 H new ATOM 0 HG CYS A 16 3.350 2.520 -5.521 1.00 0.00 H new ATOM 246 N PRO A 17 -1.237 1.476 -6.716 1.00 0.00 N ATOM 247 CA PRO A 17 -2.669 1.233 -6.402 1.00 0.00 C ATOM 248 C PRO A 17 -3.259 0.158 -7.321 1.00 0.00 C ATOM 249 O PRO A 17 -4.461 0.033 -7.448 1.00 0.00 O ATOM 250 CB PRO A 17 -3.324 2.585 -6.674 1.00 0.00 C ATOM 251 CG PRO A 17 -2.428 3.261 -7.663 1.00 0.00 C ATOM 252 CD PRO A 17 -1.033 2.740 -7.432 1.00 0.00 C ATOM 0 HA PRO A 17 -2.823 0.875 -5.384 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.331 2.462 -7.074 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.414 3.171 -5.759 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.753 3.051 -8.682 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.460 4.343 -7.534 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.505 2.584 -8.373 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.438 3.440 -6.844 1.00 0.00 H new ATOM 260 N MET A 18 -2.427 -0.602 -7.983 1.00 0.00 N ATOM 261 CA MET A 18 -2.958 -1.664 -8.885 1.00 0.00 C ATOM 262 C MET A 18 -3.261 -2.946 -8.114 1.00 0.00 C ATOM 263 O MET A 18 -4.381 -3.403 -8.056 1.00 0.00 O ATOM 264 CB MET A 18 -1.844 -1.907 -9.902 1.00 0.00 C ATOM 265 CG MET A 18 -1.933 -3.343 -10.422 1.00 0.00 C ATOM 266 SD MET A 18 -1.079 -3.462 -12.013 1.00 0.00 S ATOM 267 CE MET A 18 -2.175 -2.362 -12.942 1.00 0.00 C ATOM 0 H MET A 18 -1.410 -0.534 -7.939 1.00 0.00 H new ATOM 0 HA MET A 18 -3.894 -1.361 -9.354 1.00 0.00 H new ATOM 0 HB2 MET A 18 -1.932 -1.203 -10.729 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.872 -1.736 -9.440 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.484 -4.030 -9.704 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.977 -3.636 -10.534 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.268 -2.722 -13.967 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.158 -2.346 -12.472 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.760 -1.354 -12.948 1.00 0.00 H new ATOM 277 N ALA A 19 -2.260 -3.524 -7.504 1.00 0.00 N ATOM 278 CA ALA A 19 -2.491 -4.777 -6.739 1.00 0.00 C ATOM 279 C ALA A 19 -3.569 -4.544 -5.686 1.00 0.00 C ATOM 280 O ALA A 19 -4.176 -5.470 -5.184 1.00 0.00 O ATOM 281 CB ALA A 19 -1.154 -5.084 -6.071 1.00 0.00 C ATOM 0 H ALA A 19 -1.299 -3.183 -7.504 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.826 -5.598 -7.373 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.242 -5.999 -5.485 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.387 -5.215 -6.835 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.877 -4.258 -5.416 1.00 0.00 H new ATOM 287 N ILE A 20 -3.821 -3.308 -5.358 1.00 0.00 N ATOM 288 CA ILE A 20 -4.867 -3.011 -4.344 1.00 0.00 C ATOM 289 C ILE A 20 -6.243 -3.230 -4.960 1.00 0.00 C ATOM 290 O ILE A 20 -7.136 -3.770 -4.338 1.00 0.00 O ATOM 291 CB ILE A 20 -4.663 -1.543 -3.971 1.00 0.00 C ATOM 292 CG1 ILE A 20 -5.457 -0.654 -4.933 1.00 0.00 C ATOM 293 CG2 ILE A 20 -3.177 -1.192 -4.065 1.00 0.00 C ATOM 294 CD1 ILE A 20 -6.950 -0.767 -4.619 1.00 0.00 C ATOM 0 H ILE A 20 -3.348 -2.493 -5.748 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.798 -3.654 -3.466 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.012 -1.378 -2.952 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.132 0.382 -4.839 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.268 -0.955 -5.963 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.033 -0.145 -3.799 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.610 -1.822 -3.379 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.828 -1.359 -5.084 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.515 -0.134 -5.304 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.269 -1.803 -4.735 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.132 -0.445 -3.594 1.00 0.00 H new ATOM 306 N GLU A 21 -6.415 -2.835 -6.189 1.00 0.00 N ATOM 307 CA GLU A 21 -7.726 -3.046 -6.851 1.00 0.00 C ATOM 308 C GLU A 21 -8.093 -4.524 -6.739 1.00 0.00 C ATOM 309 O GLU A 21 -9.238 -4.882 -6.554 1.00 0.00 O ATOM 310 CB GLU A 21 -7.507 -2.640 -8.309 1.00 0.00 C ATOM 311 CG GLU A 21 -8.803 -2.836 -9.097 1.00 0.00 C ATOM 312 CD GLU A 21 -8.853 -4.261 -9.652 1.00 0.00 C ATOM 313 OE1 GLU A 21 -7.902 -4.654 -10.307 1.00 0.00 O ATOM 314 OE2 GLU A 21 -9.842 -4.934 -9.412 1.00 0.00 O ATOM 0 H GLU A 21 -5.705 -2.377 -6.761 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.536 -2.469 -6.404 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.191 -1.598 -8.363 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.709 -3.239 -8.748 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.664 -2.655 -8.453 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.858 -2.115 -9.912 1.00 0.00 H new ATOM 321 N VAL A 22 -7.115 -5.384 -6.824 1.00 0.00 N ATOM 322 CA VAL A 22 -7.393 -6.840 -6.690 1.00 0.00 C ATOM 323 C VAL A 22 -7.626 -7.157 -5.217 1.00 0.00 C ATOM 324 O VAL A 22 -8.487 -7.933 -4.860 1.00 0.00 O ATOM 325 CB VAL A 22 -6.138 -7.543 -7.211 1.00 0.00 C ATOM 326 CG1 VAL A 22 -6.155 -9.009 -6.777 1.00 0.00 C ATOM 327 CG2 VAL A 22 -6.109 -7.465 -8.739 1.00 0.00 C ATOM 0 H VAL A 22 -6.137 -5.141 -6.980 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.276 -7.161 -7.243 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.253 -7.055 -6.803 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.261 -9.509 -7.149 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.177 -9.066 -5.689 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.040 -9.499 -7.184 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.215 -7.965 -9.112 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.995 -7.954 -9.145 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.096 -6.420 -9.050 1.00 0.00 H new ATOM 337 N VAL A 23 -6.867 -6.547 -4.359 1.00 0.00 N ATOM 338 CA VAL A 23 -7.041 -6.747 -2.898 1.00 0.00 C ATOM 339 C VAL A 23 -8.342 -6.081 -2.460 1.00 0.00 C ATOM 340 O VAL A 23 -8.941 -6.432 -1.466 1.00 0.00 O ATOM 341 CB VAL A 23 -5.826 -6.134 -2.237 1.00 0.00 C ATOM 342 CG1 VAL A 23 -6.279 -5.042 -1.272 1.00 0.00 C ATOM 343 CG2 VAL A 23 -5.061 -7.213 -1.467 1.00 0.00 C ATOM 0 H VAL A 23 -6.117 -5.904 -4.613 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.114 -7.798 -2.618 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.173 -5.705 -2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.408 -4.596 -0.792 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.824 -4.274 -1.821 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.930 -5.475 -0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.186 -6.770 -0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.709 -7.644 -0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.742 -7.995 -2.156 1.00 0.00 H new ATOM 353 N ASP A 24 -8.754 -5.072 -3.184 1.00 0.00 N ATOM 354 CA ASP A 24 -10.007 -4.361 -2.832 1.00 0.00 C ATOM 355 C ASP A 24 -11.175 -5.251 -3.232 1.00 0.00 C ATOM 356 O ASP A 24 -12.182 -5.338 -2.561 1.00 0.00 O ATOM 357 CB ASP A 24 -9.990 -3.076 -3.652 1.00 0.00 C ATOM 358 CG ASP A 24 -10.840 -2.012 -2.954 1.00 0.00 C ATOM 359 OD1 ASP A 24 -12.053 -2.135 -2.989 1.00 0.00 O ATOM 360 OD2 ASP A 24 -10.263 -1.092 -2.398 1.00 0.00 O ATOM 0 H ASP A 24 -8.270 -4.713 -4.007 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.098 -4.135 -1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.966 -2.720 -3.768 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.377 -3.266 -4.653 1.00 0.00 H new ATOM 365 N GLU A 25 -11.018 -5.920 -4.336 1.00 0.00 N ATOM 366 CA GLU A 25 -12.074 -6.837 -4.822 1.00 0.00 C ATOM 367 C GLU A 25 -12.341 -7.906 -3.764 1.00 0.00 C ATOM 368 O GLU A 25 -13.470 -8.223 -3.449 1.00 0.00 O ATOM 369 CB GLU A 25 -11.473 -7.452 -6.084 1.00 0.00 C ATOM 370 CG GLU A 25 -12.372 -7.147 -7.283 1.00 0.00 C ATOM 371 CD GLU A 25 -13.222 -8.376 -7.611 1.00 0.00 C ATOM 372 OE1 GLU A 25 -12.851 -9.458 -7.188 1.00 0.00 O ATOM 373 OE2 GLU A 25 -14.230 -8.214 -8.279 1.00 0.00 O ATOM 0 H GLU A 25 -10.190 -5.868 -4.929 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.025 -6.344 -5.021 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.474 -7.052 -6.255 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.368 -8.530 -5.961 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.015 -6.296 -7.061 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.765 -6.871 -8.145 1.00 0.00 H new ATOM 380 N ALA A 26 -11.298 -8.461 -3.211 1.00 0.00 N ATOM 381 CA ALA A 26 -11.467 -9.504 -2.162 1.00 0.00 C ATOM 382 C ALA A 26 -11.787 -8.852 -0.822 1.00 0.00 C ATOM 383 O ALA A 26 -12.616 -9.322 -0.069 1.00 0.00 O ATOM 384 CB ALA A 26 -10.119 -10.212 -2.096 1.00 0.00 C ATOM 0 H ALA A 26 -10.331 -8.235 -3.443 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.283 -10.191 -2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.158 -10.999 -1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.890 -10.650 -3.068 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.343 -9.494 -1.830 1.00 0.00 H new ATOM 390 N LYS A 27 -11.134 -7.761 -0.519 1.00 0.00 N ATOM 391 CA LYS A 27 -11.407 -7.090 0.778 1.00 0.00 C ATOM 392 C LYS A 27 -12.841 -6.577 0.775 1.00 0.00 C ATOM 393 O LYS A 27 -13.480 -6.474 1.805 1.00 0.00 O ATOM 394 CB LYS A 27 -10.408 -5.929 0.837 1.00 0.00 C ATOM 395 CG LYS A 27 -9.035 -6.471 1.242 1.00 0.00 C ATOM 396 CD LYS A 27 -9.211 -7.631 2.226 1.00 0.00 C ATOM 397 CE LYS A 27 -9.335 -8.951 1.455 1.00 0.00 C ATOM 398 NZ LYS A 27 -7.933 -9.344 1.140 1.00 0.00 N ATOM 0 H LYS A 27 -10.432 -7.313 -1.108 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.298 -7.751 1.638 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.347 -5.436 -0.133 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.743 -5.180 1.554 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.491 -6.809 0.360 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.441 -5.680 1.699 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.361 -7.675 2.906 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.100 -7.471 2.836 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.834 -9.713 2.054 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.923 -8.824 0.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.803 -10.356 1.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.739 -9.163 0.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.277 -8.787 1.724 1.00 0.00 H new ATOM 412 N LYS A 28 -13.369 -6.308 -0.384 1.00 0.00 N ATOM 413 CA LYS A 28 -14.778 -5.850 -0.472 1.00 0.00 C ATOM 414 C LYS A 28 -15.678 -7.018 -0.092 1.00 0.00 C ATOM 415 O LYS A 28 -16.589 -6.896 0.704 1.00 0.00 O ATOM 416 CB LYS A 28 -14.974 -5.488 -1.938 1.00 0.00 C ATOM 417 CG LYS A 28 -15.256 -3.990 -2.067 1.00 0.00 C ATOM 418 CD LYS A 28 -16.341 -3.764 -3.122 1.00 0.00 C ATOM 419 CE LYS A 28 -17.274 -2.641 -2.664 1.00 0.00 C ATOM 420 NZ LYS A 28 -18.477 -2.762 -3.533 1.00 0.00 N ATOM 0 H LYS A 28 -12.882 -6.386 -1.277 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.008 -5.010 0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.084 -5.751 -2.509 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.802 -6.061 -2.356 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.577 -3.586 -1.107 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.345 -3.460 -2.347 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.885 -3.505 -4.078 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.908 -4.682 -3.278 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.535 -2.749 -1.611 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.802 -1.665 -2.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -19.164 -2.024 -3.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.199 -2.648 -4.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.909 -3.699 -3.399 1.00 0.00 H new ATOM 434 N GLU A 29 -15.396 -8.161 -0.649 1.00 0.00 N ATOM 435 CA GLU A 29 -16.193 -9.372 -0.333 1.00 0.00 C ATOM 436 C GLU A 29 -16.386 -9.461 1.177 1.00 0.00 C ATOM 437 O GLU A 29 -17.469 -9.715 1.668 1.00 0.00 O ATOM 438 CB GLU A 29 -15.314 -10.520 -0.839 1.00 0.00 C ATOM 439 CG GLU A 29 -14.663 -11.254 0.337 1.00 0.00 C ATOM 440 CD GLU A 29 -15.699 -12.147 1.022 1.00 0.00 C ATOM 441 OE1 GLU A 29 -16.094 -13.132 0.420 1.00 0.00 O ATOM 442 OE2 GLU A 29 -16.081 -11.832 2.137 1.00 0.00 O ATOM 0 H GLU A 29 -14.639 -8.307 -1.317 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.185 -9.380 -0.784 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -15.916 -11.217 -1.422 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.543 -10.130 -1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.826 -11.856 -0.016 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.260 -10.534 1.050 1.00 0.00 H new ATOM 449 N PHE A 30 -15.353 -9.184 1.911 1.00 0.00 N ATOM 450 CA PHE A 30 -15.452 -9.232 3.392 1.00 0.00 C ATOM 451 C PHE A 30 -15.866 -7.846 3.885 1.00 0.00 C ATOM 452 O PHE A 30 -16.822 -7.701 4.629 1.00 0.00 O ATOM 453 CB PHE A 30 -14.038 -9.581 3.878 1.00 0.00 C ATOM 454 CG PHE A 30 -13.560 -8.529 4.851 1.00 0.00 C ATOM 455 CD1 PHE A 30 -14.317 -8.237 5.991 1.00 0.00 C ATOM 456 CD2 PHE A 30 -12.364 -7.845 4.610 1.00 0.00 C ATOM 457 CE1 PHE A 30 -13.877 -7.260 6.891 1.00 0.00 C ATOM 458 CE2 PHE A 30 -11.925 -6.867 5.509 1.00 0.00 C ATOM 459 CZ PHE A 30 -12.681 -6.576 6.649 1.00 0.00 C ATOM 0 H PHE A 30 -14.436 -8.924 1.547 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.181 -9.956 3.756 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.039 -10.560 4.357 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.356 -9.642 3.030 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -15.240 -8.765 6.176 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.780 -8.072 3.730 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -14.460 -7.034 7.772 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.003 -6.337 5.323 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.341 -5.822 7.344 1.00 0.00 H new ATOM 469 N GLY A 31 -15.119 -6.844 3.539 1.00 0.00 N ATOM 470 CA GLY A 31 -15.447 -5.451 3.950 1.00 0.00 C ATOM 471 C GLY A 31 -16.214 -4.717 2.855 1.00 0.00 C ATOM 472 O GLY A 31 -15.615 -3.940 2.117 1.00 0.00 O ATOM 0 H GLY A 31 -14.274 -6.930 2.975 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.041 -5.469 4.864 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.528 -4.911 4.178 1.00 0.00 H new ATOM 476 N ASP A 32 -17.475 -4.943 2.715 1.00 0.00 N ATOM 477 CA ASP A 32 -18.241 -4.245 1.644 1.00 0.00 C ATOM 478 C ASP A 32 -17.754 -2.799 1.481 1.00 0.00 C ATOM 479 O ASP A 32 -17.998 -2.166 0.475 1.00 0.00 O ATOM 480 CB ASP A 32 -19.689 -4.262 2.153 1.00 0.00 C ATOM 481 CG ASP A 32 -20.341 -2.903 1.895 1.00 0.00 C ATOM 482 OD1 ASP A 32 -20.821 -2.698 0.792 1.00 0.00 O ATOM 483 OD2 ASP A 32 -20.350 -2.090 2.804 1.00 0.00 O ATOM 0 H ASP A 32 -18.020 -5.582 3.294 1.00 0.00 H new ATOM 0 HA ASP A 32 -18.126 -4.722 0.671 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -20.252 -5.048 1.650 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -19.708 -4.489 3.219 1.00 0.00 H new ATOM 488 N LYS A 33 -17.094 -2.263 2.463 1.00 0.00 N ATOM 489 CA LYS A 33 -16.563 -0.874 2.377 1.00 0.00 C ATOM 490 C LYS A 33 -15.193 -0.845 1.704 1.00 0.00 C ATOM 491 O LYS A 33 -14.490 -1.843 1.683 1.00 0.00 O ATOM 492 CB LYS A 33 -16.513 -0.360 3.799 1.00 0.00 C ATOM 493 CG LYS A 33 -17.882 0.192 4.206 1.00 0.00 C ATOM 494 CD LYS A 33 -18.259 -0.348 5.587 1.00 0.00 C ATOM 495 CE LYS A 33 -17.006 -0.435 6.461 1.00 0.00 C ATOM 496 NZ LYS A 33 -17.518 -0.576 7.853 1.00 0.00 N ATOM 0 H LYS A 33 -16.894 -2.738 3.343 1.00 0.00 H new ATOM 0 HA LYS A 33 -17.199 -0.239 1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.221 -1.164 4.475 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.757 0.420 3.886 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -17.856 1.282 4.224 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.635 -0.097 3.473 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.997 0.304 6.055 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -18.718 -1.332 5.492 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -16.387 -1.287 6.180 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -16.388 0.457 6.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -16.717 -0.642 8.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -18.098 0.252 8.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -18.097 -1.437 7.924 1.00 0.00 H new ATOM 510 N ILE A 34 -14.780 0.284 1.204 1.00 0.00 N ATOM 511 CA ILE A 34 -13.433 0.345 0.574 1.00 0.00 C ATOM 512 C ILE A 34 -12.647 1.541 1.126 1.00 0.00 C ATOM 513 O ILE A 34 -13.109 2.658 1.153 1.00 0.00 O ATOM 514 CB ILE A 34 -13.719 0.557 -0.921 1.00 0.00 C ATOM 515 CG1 ILE A 34 -15.124 0.044 -1.248 1.00 0.00 C ATOM 516 CG2 ILE A 34 -12.690 -0.215 -1.747 1.00 0.00 C ATOM 517 CD1 ILE A 34 -15.127 -1.485 -1.224 1.00 0.00 C ATOM 0 H ILE A 34 -15.308 1.157 1.203 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.842 -0.550 0.768 1.00 0.00 H new ATOM 0 HB ILE A 34 -13.656 1.619 -1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -15.842 0.431 -0.525 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -15.435 0.404 -2.229 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -12.890 -0.067 -2.808 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.689 0.147 -1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -12.756 -1.277 -1.510 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -16.127 -1.851 -1.457 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -14.421 -1.862 -1.964 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -14.835 -1.834 -0.234 1.00 0.00 H new ATOM 529 N ASP A 35 -11.437 1.293 1.565 1.00 0.00 N ATOM 530 CA ASP A 35 -10.603 2.393 2.120 1.00 0.00 C ATOM 531 C ASP A 35 -9.178 2.260 1.587 1.00 0.00 C ATOM 532 O ASP A 35 -8.269 1.879 2.298 1.00 0.00 O ATOM 533 CB ASP A 35 -10.634 2.198 3.637 1.00 0.00 C ATOM 534 CG ASP A 35 -10.424 3.545 4.332 1.00 0.00 C ATOM 535 OD1 ASP A 35 -9.724 4.374 3.774 1.00 0.00 O ATOM 536 OD2 ASP A 35 -10.967 3.724 5.410 1.00 0.00 O ATOM 0 H ASP A 35 -10.995 0.374 1.561 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.968 3.381 1.841 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.588 1.766 3.939 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.857 1.496 3.940 1.00 0.00 H new ATOM 541 N VAL A 36 -8.971 2.598 0.340 1.00 0.00 N ATOM 542 CA VAL A 36 -7.602 2.461 -0.226 1.00 0.00 C ATOM 543 C VAL A 36 -6.846 3.780 -0.053 1.00 0.00 C ATOM 544 O VAL A 36 -7.162 4.791 -0.639 1.00 0.00 O ATOM 545 CB VAL A 36 -7.832 2.185 -1.726 1.00 0.00 C ATOM 546 CG1 VAL A 36 -6.487 1.937 -2.410 1.00 0.00 C ATOM 547 CG2 VAL A 36 -8.718 0.947 -1.879 1.00 0.00 C ATOM 0 H VAL A 36 -9.680 2.957 -0.299 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.020 1.677 0.258 1.00 0.00 H new ATOM 0 HB VAL A 36 -8.319 3.044 -2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.648 1.742 -3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.853 2.816 -2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.000 1.076 -1.953 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.884 0.747 -2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.227 0.089 -1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.675 1.122 -1.388 1.00 0.00 H new ATOM 557 N GLU A 37 -5.785 3.745 0.732 1.00 0.00 N ATOM 558 CA GLU A 37 -5.021 5.007 0.946 1.00 0.00 C ATOM 559 C GLU A 37 -3.820 5.011 -0.007 1.00 0.00 C ATOM 560 O GLU A 37 -3.276 3.996 -0.360 1.00 0.00 O ATOM 561 CB GLU A 37 -4.516 4.906 2.403 1.00 0.00 C ATOM 562 CG GLU A 37 -5.714 4.884 3.352 1.00 0.00 C ATOM 563 CD GLU A 37 -5.352 5.604 4.652 1.00 0.00 C ATOM 564 OE1 GLU A 37 -5.382 6.823 4.660 1.00 0.00 O ATOM 565 OE2 GLU A 37 -5.050 4.923 5.619 1.00 0.00 O ATOM 0 H GLU A 37 -5.430 2.920 1.216 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.612 5.906 0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.919 4.003 2.531 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.869 5.752 2.635 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.571 5.367 2.883 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.005 3.855 3.563 1.00 0.00 H new ATOM 572 N LYS A 38 -3.419 6.166 -0.450 1.00 0.00 N ATOM 573 CA LYS A 38 -2.299 6.255 -1.423 1.00 0.00 C ATOM 574 C LYS A 38 -1.373 7.430 -1.111 1.00 0.00 C ATOM 575 O LYS A 38 -1.825 8.561 -1.021 1.00 0.00 O ATOM 576 CB LYS A 38 -2.932 6.398 -2.789 1.00 0.00 C ATOM 577 CG LYS A 38 -3.940 7.545 -2.753 1.00 0.00 C ATOM 578 CD LYS A 38 -5.278 7.033 -2.217 1.00 0.00 C ATOM 579 CE LYS A 38 -6.387 7.347 -3.224 1.00 0.00 C ATOM 580 NZ LYS A 38 -7.618 6.746 -2.640 1.00 0.00 N ATOM 0 H LYS A 38 -3.823 7.062 -0.177 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.672 5.365 -1.374 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.166 6.593 -3.540 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.428 5.470 -3.073 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.567 8.351 -2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.071 7.959 -3.753 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.224 5.958 -2.043 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.500 7.501 -1.258 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.501 8.422 -3.364 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.165 6.920 -4.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.165 6.277 -3.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.354 6.048 -1.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.197 7.493 -2.206 1.00 0.00 H new ATOM 594 N ILE A 39 -0.123 7.184 -0.872 1.00 0.00 N ATOM 595 CA ILE A 39 0.828 8.287 -0.555 1.00 0.00 C ATOM 596 C ILE A 39 1.976 8.344 -1.575 1.00 0.00 C ATOM 597 O ILE A 39 2.048 7.554 -2.495 1.00 0.00 O ATOM 598 CB ILE A 39 1.357 7.963 0.826 1.00 0.00 C ATOM 599 CG1 ILE A 39 0.963 6.530 1.195 1.00 0.00 C ATOM 600 CG2 ILE A 39 0.761 8.934 1.847 1.00 0.00 C ATOM 601 CD1 ILE A 39 1.316 6.261 2.659 1.00 0.00 C ATOM 0 H ILE A 39 0.292 6.252 -0.882 1.00 0.00 H new ATOM 0 HA ILE A 39 0.341 9.261 -0.593 1.00 0.00 H new ATOM 0 HB ILE A 39 2.443 8.058 0.830 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.105 6.383 1.035 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.482 5.822 0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.144 8.698 2.840 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.039 9.955 1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.325 8.842 1.846 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.035 5.241 2.920 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.389 6.390 2.804 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.777 6.960 3.298 1.00 0.00 H new ATOM 613 N ASP A 40 2.816 9.332 -1.471 1.00 0.00 N ATOM 614 CA ASP A 40 3.979 9.479 -2.392 1.00 0.00 C ATOM 615 C ASP A 40 5.319 9.268 -1.686 1.00 0.00 C ATOM 616 O ASP A 40 5.394 9.289 -0.471 1.00 0.00 O ATOM 617 CB ASP A 40 3.833 10.857 -2.985 1.00 0.00 C ATOM 618 CG ASP A 40 5.047 11.698 -2.600 1.00 0.00 C ATOM 619 OD1 ASP A 40 6.150 11.291 -2.922 1.00 0.00 O ATOM 620 OD2 ASP A 40 4.854 12.735 -1.989 1.00 0.00 O ATOM 0 H ASP A 40 2.744 10.066 -0.766 1.00 0.00 H new ATOM 0 HA ASP A 40 3.980 8.713 -3.167 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.749 10.792 -4.070 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.919 11.328 -2.622 1.00 0.00 H new ATOM 625 N ILE A 41 6.377 9.130 -2.434 1.00 0.00 N ATOM 626 CA ILE A 41 7.725 8.958 -1.814 1.00 0.00 C ATOM 627 C ILE A 41 8.200 10.220 -1.079 1.00 0.00 C ATOM 628 O ILE A 41 8.882 10.138 -0.077 1.00 0.00 O ATOM 629 CB ILE A 41 8.651 8.675 -2.999 1.00 0.00 C ATOM 630 CG1 ILE A 41 10.094 8.999 -2.605 1.00 0.00 C ATOM 631 CG2 ILE A 41 8.244 9.550 -4.187 1.00 0.00 C ATOM 632 CD1 ILE A 41 10.366 10.486 -2.840 1.00 0.00 C ATOM 0 H ILE A 41 6.369 9.129 -3.454 1.00 0.00 H new ATOM 0 HA ILE A 41 7.712 8.166 -1.065 1.00 0.00 H new ATOM 0 HB ILE A 41 8.573 7.624 -3.276 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.261 8.749 -1.557 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.787 8.395 -3.191 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.904 9.348 -5.031 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.215 9.325 -4.469 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.322 10.601 -3.909 1.00 0.00 H new ATOM 0 HD11 ILE A 41 11.394 10.717 -2.559 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.216 10.721 -3.894 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.682 11.081 -2.235 1.00 0.00 H new ATOM 644 N MET A 42 7.896 11.379 -1.586 1.00 0.00 N ATOM 645 CA MET A 42 8.350 12.638 -0.923 1.00 0.00 C ATOM 646 C MET A 42 7.328 13.153 0.089 1.00 0.00 C ATOM 647 O MET A 42 7.574 14.109 0.797 1.00 0.00 O ATOM 648 CB MET A 42 8.551 13.631 -2.056 1.00 0.00 C ATOM 649 CG MET A 42 7.362 14.591 -2.103 1.00 0.00 C ATOM 650 SD MET A 42 7.761 16.090 -1.170 1.00 0.00 S ATOM 651 CE MET A 42 6.069 16.710 -1.004 1.00 0.00 C ATOM 0 H MET A 42 7.349 11.513 -2.437 1.00 0.00 H new ATOM 0 HA MET A 42 9.264 12.478 -0.350 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.477 14.187 -1.908 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.645 13.103 -3.005 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.126 14.845 -3.136 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.477 14.113 -1.683 1.00 0.00 H new ATOM 0 HE1 MET A 42 6.078 17.648 -0.449 1.00 0.00 H new ATOM 0 HE2 MET A 42 5.644 16.878 -1.994 1.00 0.00 H new ATOM 0 HE3 MET A 42 5.464 15.978 -0.469 1.00 0.00 H new ATOM 661 N VAL A 43 6.174 12.553 0.149 1.00 0.00 N ATOM 662 CA VAL A 43 5.144 13.039 1.110 1.00 0.00 C ATOM 663 C VAL A 43 4.937 12.007 2.218 1.00 0.00 C ATOM 664 O VAL A 43 4.710 12.347 3.362 1.00 0.00 O ATOM 665 CB VAL A 43 3.870 13.215 0.284 1.00 0.00 C ATOM 666 CG1 VAL A 43 3.428 11.862 -0.270 1.00 0.00 C ATOM 667 CG2 VAL A 43 2.763 13.786 1.173 1.00 0.00 C ATOM 0 H VAL A 43 5.899 11.753 -0.421 1.00 0.00 H new ATOM 0 HA VAL A 43 5.436 13.971 1.594 1.00 0.00 H new ATOM 0 HB VAL A 43 4.065 13.899 -0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.519 11.989 -0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.216 11.453 -0.902 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.233 11.177 0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.853 13.912 0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.570 13.101 1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.076 14.752 1.569 1.00 0.00 H new ATOM 677 N ASP A 44 5.019 10.747 1.889 1.00 0.00 N ATOM 678 CA ASP A 44 4.830 9.697 2.928 1.00 0.00 C ATOM 679 C ASP A 44 6.127 8.912 3.126 1.00 0.00 C ATOM 680 O ASP A 44 6.123 7.698 3.205 1.00 0.00 O ATOM 681 CB ASP A 44 3.732 8.789 2.380 1.00 0.00 C ATOM 682 CG ASP A 44 3.780 7.438 3.096 1.00 0.00 C ATOM 683 OD1 ASP A 44 3.289 7.362 4.210 1.00 0.00 O ATOM 684 OD2 ASP A 44 4.307 6.502 2.517 1.00 0.00 O ATOM 0 H ASP A 44 5.208 10.400 0.949 1.00 0.00 H new ATOM 0 HA ASP A 44 4.562 10.118 3.897 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.756 9.254 2.523 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.864 8.649 1.307 1.00 0.00 H new ATOM 689 N ARG A 45 7.240 9.599 3.223 1.00 0.00 N ATOM 690 CA ARG A 45 8.519 8.857 3.395 1.00 0.00 C ATOM 691 C ARG A 45 8.450 8.013 4.671 1.00 0.00 C ATOM 692 O ARG A 45 9.303 7.186 4.927 1.00 0.00 O ATOM 693 CB ARG A 45 9.568 9.977 3.597 1.00 0.00 C ATOM 694 CG ARG A 45 10.937 9.350 3.869 1.00 0.00 C ATOM 695 CD ARG A 45 11.839 10.369 4.570 1.00 0.00 C ATOM 696 NE ARG A 45 13.038 9.594 4.993 1.00 0.00 N ATOM 697 CZ ARG A 45 14.035 10.201 5.575 1.00 0.00 C ATOM 698 NH1 ARG A 45 14.781 11.030 4.896 1.00 0.00 N ATOM 699 NH2 ARG A 45 14.288 9.980 6.836 1.00 0.00 N ATOM 0 H ARG A 45 7.315 10.616 3.191 1.00 0.00 H new ATOM 0 HA ARG A 45 8.742 8.195 2.558 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.615 10.610 2.711 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.277 10.617 4.430 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.824 8.461 4.490 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.393 9.029 2.933 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.112 11.183 3.898 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.336 10.818 5.427 1.00 0.00 H new ATOM 0 HE ARG A 45 13.080 8.588 4.828 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.584 11.203 3.910 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.561 11.505 5.351 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.706 9.332 7.367 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.068 10.455 7.291 1.00 0.00 H new ATOM 713 N GLU A 46 7.399 8.157 5.425 1.00 0.00 N ATOM 714 CA GLU A 46 7.225 7.340 6.660 1.00 0.00 C ATOM 715 C GLU A 46 7.347 5.853 6.334 1.00 0.00 C ATOM 716 O GLU A 46 7.584 5.037 7.200 1.00 0.00 O ATOM 717 CB GLU A 46 5.840 7.683 7.186 1.00 0.00 C ATOM 718 CG GLU A 46 5.861 9.073 7.825 1.00 0.00 C ATOM 719 CD GLU A 46 5.514 8.957 9.310 1.00 0.00 C ATOM 720 OE1 GLU A 46 6.131 8.147 9.981 1.00 0.00 O ATOM 721 OE2 GLU A 46 4.637 9.682 9.752 1.00 0.00 O ATOM 0 H GLU A 46 6.642 8.814 5.237 1.00 0.00 H new ATOM 0 HA GLU A 46 7.990 7.555 7.406 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.115 7.657 6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.524 6.940 7.918 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.845 9.525 7.705 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.147 9.726 7.324 1.00 0.00 H new ATOM 728 N LYS A 47 7.157 5.481 5.098 1.00 0.00 N ATOM 729 CA LYS A 47 7.261 4.036 4.757 1.00 0.00 C ATOM 730 C LYS A 47 8.580 3.488 5.278 1.00 0.00 C ATOM 731 O LYS A 47 8.630 2.486 5.961 1.00 0.00 O ATOM 732 CB LYS A 47 7.250 3.965 3.227 1.00 0.00 C ATOM 733 CG LYS A 47 8.380 3.033 2.764 1.00 0.00 C ATOM 734 CD LYS A 47 8.044 1.589 3.138 1.00 0.00 C ATOM 735 CE LYS A 47 9.305 0.732 3.015 1.00 0.00 C ATOM 736 NZ LYS A 47 9.150 -0.331 4.045 1.00 0.00 N ATOM 0 H LYS A 47 6.938 6.104 4.321 1.00 0.00 H new ATOM 0 HA LYS A 47 6.449 3.456 5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.288 3.595 2.874 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.384 4.960 2.802 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.515 3.117 1.686 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.321 3.329 3.227 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.658 1.545 4.156 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.262 1.203 2.483 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.396 0.304 2.017 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.203 1.324 3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.501 -1.234 3.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.695 -0.075 4.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.145 -0.428 4.296 1.00 0.00 H new ATOM 750 N ALA A 48 9.647 4.069 4.888 1.00 0.00 N ATOM 751 CA ALA A 48 10.987 3.668 5.334 1.00 0.00 C ATOM 752 C ALA A 48 11.166 3.892 6.816 1.00 0.00 C ATOM 753 O ALA A 48 12.258 3.739 7.328 1.00 0.00 O ATOM 754 CB ALA A 48 11.979 4.307 4.444 1.00 0.00 C ATOM 0 H ALA A 48 9.649 4.855 4.238 1.00 0.00 H new ATOM 0 HA ALA A 48 11.142 2.593 5.239 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.984 4.023 4.756 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.812 3.979 3.418 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.874 5.390 4.500 1.00 0.00 H new ATOM 760 N ILE A 49 10.188 4.434 7.489 1.00 0.00 N ATOM 761 CA ILE A 49 10.417 4.695 8.922 1.00 0.00 C ATOM 762 C ILE A 49 11.307 3.555 9.383 1.00 0.00 C ATOM 763 O ILE A 49 12.240 3.724 10.139 1.00 0.00 O ATOM 764 CB ILE A 49 9.040 4.638 9.593 1.00 0.00 C ATOM 765 CG1 ILE A 49 8.266 3.411 9.094 1.00 0.00 C ATOM 766 CG2 ILE A 49 8.256 5.907 9.255 1.00 0.00 C ATOM 767 CD1 ILE A 49 8.797 2.156 9.789 1.00 0.00 C ATOM 0 H ILE A 49 9.275 4.697 7.119 1.00 0.00 H new ATOM 0 HA ILE A 49 10.881 5.654 9.151 1.00 0.00 H new ATOM 0 HB ILE A 49 9.170 4.564 10.673 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.202 3.531 9.299 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.374 3.314 8.014 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.277 5.867 9.732 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.801 6.779 9.617 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.131 5.981 8.175 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.247 1.284 9.435 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.856 2.035 9.561 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.666 2.254 10.867 1.00 0.00 H new ATOM 779 N GLU A 50 11.046 2.397 8.845 1.00 0.00 N ATOM 780 CA GLU A 50 11.880 1.212 9.150 1.00 0.00 C ATOM 781 C GLU A 50 13.345 1.533 8.833 1.00 0.00 C ATOM 782 O GLU A 50 14.216 1.368 9.663 1.00 0.00 O ATOM 783 CB GLU A 50 11.339 0.129 8.217 1.00 0.00 C ATOM 784 CG GLU A 50 10.436 -0.817 9.008 1.00 0.00 C ATOM 785 CD GLU A 50 10.781 -2.266 8.659 1.00 0.00 C ATOM 786 OE1 GLU A 50 11.665 -2.463 7.841 1.00 0.00 O ATOM 787 OE2 GLU A 50 10.156 -3.153 9.215 1.00 0.00 O ATOM 0 H GLU A 50 10.277 2.223 8.197 1.00 0.00 H new ATOM 0 HA GLU A 50 11.841 0.905 10.195 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.780 0.584 7.399 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.163 -0.426 7.770 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.564 -0.649 10.077 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.390 -0.616 8.777 1.00 0.00 H new ATOM 794 N TYR A 51 13.624 2.009 7.642 1.00 0.00 N ATOM 795 CA TYR A 51 15.042 2.355 7.301 1.00 0.00 C ATOM 796 C TYR A 51 15.146 3.824 6.898 1.00 0.00 C ATOM 797 O TYR A 51 16.172 4.457 7.047 1.00 0.00 O ATOM 798 CB TYR A 51 15.417 1.470 6.112 1.00 0.00 C ATOM 799 CG TYR A 51 14.373 1.559 5.024 1.00 0.00 C ATOM 800 CD1 TYR A 51 13.096 1.028 5.226 1.00 0.00 C ATOM 801 CD2 TYR A 51 14.696 2.157 3.801 1.00 0.00 C ATOM 802 CE1 TYR A 51 12.141 1.095 4.206 1.00 0.00 C ATOM 803 CE2 TYR A 51 13.741 2.228 2.781 1.00 0.00 C ATOM 804 CZ TYR A 51 12.463 1.696 2.983 1.00 0.00 C ATOM 805 OH TYR A 51 11.522 1.761 1.975 1.00 0.00 O ATOM 0 H TYR A 51 12.942 2.171 6.901 1.00 0.00 H new ATOM 0 HA TYR A 51 15.704 2.196 8.152 1.00 0.00 H new ATOM 0 HB2 TYR A 51 16.386 1.775 5.718 1.00 0.00 H new ATOM 0 HB3 TYR A 51 15.518 0.436 6.441 1.00 0.00 H new ATOM 0 HD1 TYR A 51 12.847 0.566 6.170 1.00 0.00 H new ATOM 0 HD2 TYR A 51 15.684 2.564 3.644 1.00 0.00 H new ATOM 0 HE1 TYR A 51 11.155 0.683 4.362 1.00 0.00 H new ATOM 0 HE2 TYR A 51 13.990 2.693 1.839 1.00 0.00 H new ATOM 0 HH TYR A 51 11.964 1.982 1.129 1.00 0.00 H new ATOM 815 N GLY A 52 14.081 4.354 6.390 1.00 0.00 N ATOM 816 CA GLY A 52 14.061 5.776 5.949 1.00 0.00 C ATOM 817 C GLY A 52 15.369 6.154 5.248 1.00 0.00 C ATOM 818 O GLY A 52 15.655 7.314 5.041 1.00 0.00 O ATOM 0 H GLY A 52 13.201 3.856 6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.222 5.938 5.272 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.906 6.425 6.811 1.00 0.00 H new ATOM 822 N LEU A 53 16.172 5.203 4.896 1.00 0.00 N ATOM 823 CA LEU A 53 17.439 5.477 4.162 1.00 0.00 C ATOM 824 C LEU A 53 17.122 5.570 2.675 1.00 0.00 C ATOM 825 O LEU A 53 17.303 6.556 2.009 1.00 0.00 O ATOM 826 CB LEU A 53 18.393 4.369 4.514 1.00 0.00 C ATOM 827 CG LEU A 53 18.755 4.446 6.000 1.00 0.00 C ATOM 828 CD1 LEU A 53 18.967 3.032 6.545 1.00 0.00 C ATOM 829 CD2 LEU A 53 20.044 5.254 6.169 1.00 0.00 C ATOM 0 H LEU A 53 16.003 4.216 5.089 1.00 0.00 H new ATOM 0 HA LEU A 53 17.906 6.423 4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 53 17.940 3.403 4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.295 4.447 3.907 1.00 0.00 H new ATOM 0 HG LEU A 53 17.947 4.931 6.547 1.00 0.00 H new ATOM 0 HD11 LEU A 53 19.225 3.085 7.603 1.00 0.00 H new ATOM 0 HD12 LEU A 53 18.051 2.454 6.423 1.00 0.00 H new ATOM 0 HD13 LEU A 53 19.776 2.549 5.998 1.00 0.00 H new ATOM 0 HD21 LEU A 53 20.303 5.309 7.226 1.00 0.00 H new ATOM 0 HD22 LEU A 53 20.852 4.768 5.623 1.00 0.00 H new ATOM 0 HD23 LEU A 53 19.896 6.261 5.778 1.00 0.00 H new ATOM 841 N MET A 54 16.713 4.445 2.142 1.00 0.00 N ATOM 842 CA MET A 54 16.341 4.356 0.709 1.00 0.00 C ATOM 843 C MET A 54 14.819 4.320 0.618 1.00 0.00 C ATOM 844 O MET A 54 14.248 3.397 0.053 1.00 0.00 O ATOM 845 CB MET A 54 16.952 3.056 0.230 1.00 0.00 C ATOM 846 CG MET A 54 18.470 3.211 0.113 1.00 0.00 C ATOM 847 SD MET A 54 18.855 4.750 -0.758 1.00 0.00 S ATOM 848 CE MET A 54 19.990 5.431 0.476 1.00 0.00 C ATOM 0 H MET A 54 16.622 3.569 2.657 1.00 0.00 H new ATOM 0 HA MET A 54 16.691 5.194 0.107 1.00 0.00 H new ATOM 0 HB2 MET A 54 16.712 2.252 0.926 1.00 0.00 H new ATOM 0 HB3 MET A 54 16.530 2.779 -0.736 1.00 0.00 H new ATOM 0 HG2 MET A 54 18.923 3.219 1.104 1.00 0.00 H new ATOM 0 HG3 MET A 54 18.893 2.362 -0.424 1.00 0.00 H new ATOM 0 HE1 MET A 54 20.052 6.513 0.356 1.00 0.00 H new ATOM 0 HE2 MET A 54 19.624 5.197 1.476 1.00 0.00 H new ATOM 0 HE3 MET A 54 20.979 4.994 0.341 1.00 0.00 H new ATOM 858 N ALA A 55 14.162 5.300 1.163 1.00 0.00 N ATOM 859 CA ALA A 55 12.675 5.257 1.172 1.00 0.00 C ATOM 860 C ALA A 55 12.102 6.118 0.040 1.00 0.00 C ATOM 861 O ALA A 55 12.059 7.319 0.079 1.00 0.00 O ATOM 862 CB ALA A 55 12.313 5.912 2.521 1.00 0.00 C ATOM 0 H ALA A 55 14.582 6.121 1.598 1.00 0.00 H new ATOM 0 HA ALA A 55 12.286 4.247 1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.229 5.934 2.636 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.752 5.335 3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.701 6.930 2.547 1.00 0.00 H new ATOM 868 N VAL A 56 11.619 5.450 -0.990 1.00 0.00 N ATOM 869 CA VAL A 56 11.012 6.185 -2.131 1.00 0.00 C ATOM 870 C VAL A 56 9.858 5.375 -2.736 1.00 0.00 C ATOM 871 O VAL A 56 8.706 5.747 -2.577 1.00 0.00 O ATOM 872 CB VAL A 56 12.139 6.388 -3.146 1.00 0.00 C ATOM 873 CG1 VAL A 56 11.565 6.358 -4.565 1.00 0.00 C ATOM 874 CG2 VAL A 56 12.799 7.747 -2.899 1.00 0.00 C ATOM 0 H VAL A 56 11.624 4.434 -1.080 1.00 0.00 H new ATOM 0 HA VAL A 56 10.590 7.141 -1.819 1.00 0.00 H new ATOM 0 HB VAL A 56 12.875 5.592 -3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.369 6.503 -5.286 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.087 5.395 -4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.830 7.155 -4.677 1.00 0.00 H new ATOM 0 HG21 VAL A 56 13.603 7.897 -3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.057 8.538 -3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 56 13.207 7.775 -1.889 1.00 0.00 H new ATOM 884 N PRO A 57 10.174 4.228 -3.315 1.00 0.00 N ATOM 885 CA PRO A 57 9.089 3.409 -3.892 1.00 0.00 C ATOM 886 C PRO A 57 8.695 2.331 -2.879 1.00 0.00 C ATOM 887 O PRO A 57 9.320 1.331 -2.687 1.00 0.00 O ATOM 888 CB PRO A 57 9.835 2.696 -5.059 1.00 0.00 C ATOM 889 CG PRO A 57 11.294 2.690 -4.685 1.00 0.00 C ATOM 890 CD PRO A 57 11.504 3.691 -3.569 1.00 0.00 C ATOM 0 HA PRO A 57 8.200 3.973 -4.174 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.464 1.680 -5.195 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.677 3.222 -6.001 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.599 1.694 -4.364 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.908 2.949 -5.548 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.918 3.215 -2.680 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.201 4.476 -3.864 1.00 0.00 H new ATOM 898 N ALA A 58 7.575 2.563 -2.208 1.00 0.00 N ATOM 899 CA ALA A 58 7.119 1.581 -1.187 1.00 0.00 C ATOM 900 C ALA A 58 5.614 1.679 -0.957 1.00 0.00 C ATOM 901 O ALA A 58 4.919 2.446 -1.593 1.00 0.00 O ATOM 902 CB ALA A 58 7.874 1.935 0.094 1.00 0.00 C ATOM 0 H ALA A 58 6.976 3.380 -2.330 1.00 0.00 H new ATOM 0 HA ALA A 58 7.318 0.559 -1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.584 1.248 0.889 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.947 1.854 -0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.631 2.956 0.390 1.00 0.00 H new ATOM 908 N ILE A 59 5.110 0.882 -0.056 1.00 0.00 N ATOM 909 CA ILE A 59 3.654 0.902 0.233 1.00 0.00 C ATOM 910 C ILE A 59 3.417 0.657 1.721 1.00 0.00 C ATOM 911 O ILE A 59 4.025 -0.204 2.323 1.00 0.00 O ATOM 912 CB ILE A 59 3.099 -0.277 -0.577 1.00 0.00 C ATOM 913 CG1 ILE A 59 1.752 0.118 -1.178 1.00 0.00 C ATOM 914 CG2 ILE A 59 2.909 -1.486 0.342 1.00 0.00 C ATOM 915 CD1 ILE A 59 0.626 -0.339 -0.246 1.00 0.00 C ATOM 0 H ILE A 59 5.650 0.214 0.494 1.00 0.00 H new ATOM 0 HA ILE A 59 3.186 1.853 -0.021 1.00 0.00 H new ATOM 0 HB ILE A 59 3.798 -0.534 -1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.707 1.198 -1.319 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.632 -0.337 -2.161 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.515 -2.323 -0.234 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.868 -1.766 0.778 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.209 -1.232 1.138 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.337 -0.058 -0.673 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.668 -1.422 -0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.744 0.137 0.727 1.00 0.00 H new ATOM 927 N ALA A 60 2.466 1.352 2.305 1.00 0.00 N ATOM 928 CA ALA A 60 2.222 1.103 3.751 1.00 0.00 C ATOM 929 C ALA A 60 1.349 -0.139 3.812 1.00 0.00 C ATOM 930 O ALA A 60 0.367 -0.284 3.117 1.00 0.00 O ATOM 931 CB ALA A 60 1.423 2.333 4.242 1.00 0.00 C ATOM 0 H ALA A 60 1.873 2.052 1.859 1.00 0.00 H new ATOM 0 HA ALA A 60 3.123 0.962 4.348 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.204 2.224 5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.012 3.236 4.084 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.489 2.407 3.684 1.00 0.00 H new ATOM 937 N ILE A 61 1.724 -1.056 4.688 1.00 0.00 N ATOM 938 CA ILE A 61 0.938 -2.313 4.706 1.00 0.00 C ATOM 939 C ILE A 61 -0.268 -2.079 5.612 1.00 0.00 C ATOM 940 O ILE A 61 -0.371 -2.541 6.721 1.00 0.00 O ATOM 941 CB ILE A 61 1.920 -3.285 5.426 1.00 0.00 C ATOM 942 CG1 ILE A 61 3.356 -2.971 4.989 1.00 0.00 C ATOM 943 CG2 ILE A 61 1.569 -4.722 5.042 1.00 0.00 C ATOM 944 CD1 ILE A 61 4.246 -4.188 5.247 1.00 0.00 C ATOM 0 H ILE A 61 2.497 -0.985 5.350 1.00 0.00 H new ATOM 0 HA ILE A 61 0.593 -2.665 3.734 1.00 0.00 H new ATOM 0 HB ILE A 61 1.837 -3.164 6.506 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.376 -2.710 3.931 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.734 -2.108 5.537 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.252 -5.409 5.542 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.546 -4.941 5.348 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.659 -4.842 3.962 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.267 -3.965 4.936 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.235 -4.428 6.310 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.872 -5.039 4.679 1.00 0.00 H new ATOM 956 N ASN A 62 -1.275 -1.443 5.033 1.00 0.00 N ATOM 957 CA ASN A 62 -2.529 -1.193 5.790 1.00 0.00 C ATOM 958 C ASN A 62 -2.889 -2.468 6.530 1.00 0.00 C ATOM 959 O ASN A 62 -3.624 -3.298 6.039 1.00 0.00 O ATOM 960 CB ASN A 62 -3.571 -0.860 4.732 1.00 0.00 C ATOM 961 CG ASN A 62 -3.507 0.629 4.397 1.00 0.00 C ATOM 962 OD1 ASN A 62 -3.860 1.464 5.205 1.00 0.00 O ATOM 963 ND2 ASN A 62 -3.062 0.998 3.230 1.00 0.00 N ATOM 0 H ASN A 62 -1.269 -1.094 4.075 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.449 -0.388 6.521 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.394 -1.452 3.834 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.566 -1.119 5.094 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.010 1.989 2.994 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.766 0.296 2.552 1.00 0.00 H new ATOM 970 N GLY A 63 -2.333 -2.629 7.691 1.00 0.00 N ATOM 971 CA GLY A 63 -2.558 -3.853 8.503 1.00 0.00 C ATOM 972 C GLY A 63 -1.444 -3.883 9.544 1.00 0.00 C ATOM 973 O GLY A 63 -1.663 -4.139 10.711 1.00 0.00 O ATOM 0 H GLY A 63 -1.714 -1.944 8.125 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.537 -3.828 8.981 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.531 -4.745 7.878 1.00 0.00 H new ATOM 977 N VAL A 64 -0.239 -3.597 9.114 1.00 0.00 N ATOM 978 CA VAL A 64 0.910 -3.577 10.051 1.00 0.00 C ATOM 979 C VAL A 64 1.700 -2.255 9.921 1.00 0.00 C ATOM 980 O VAL A 64 1.791 -1.501 10.869 1.00 0.00 O ATOM 981 CB VAL A 64 1.748 -4.786 9.648 1.00 0.00 C ATOM 982 CG1 VAL A 64 0.854 -6.023 9.657 1.00 0.00 C ATOM 983 CG2 VAL A 64 2.306 -4.595 8.240 1.00 0.00 C ATOM 0 H VAL A 64 -0.008 -3.376 8.145 1.00 0.00 H new ATOM 0 HA VAL A 64 0.605 -3.629 11.096 1.00 0.00 H new ATOM 0 HB VAL A 64 2.575 -4.901 10.349 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.439 -6.897 9.371 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.447 -6.171 10.657 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.036 -5.886 8.949 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.902 -5.465 7.964 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.483 -4.481 7.535 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.932 -3.703 8.215 1.00 0.00 H new ATOM 993 N VAL A 65 2.259 -1.945 8.768 1.00 0.00 N ATOM 994 CA VAL A 65 3.022 -0.660 8.645 1.00 0.00 C ATOM 995 C VAL A 65 3.283 -0.294 7.178 1.00 0.00 C ATOM 996 O VAL A 65 2.411 0.194 6.483 1.00 0.00 O ATOM 997 CB VAL A 65 4.347 -0.912 9.369 1.00 0.00 C ATOM 998 CG1 VAL A 65 5.295 0.263 9.122 1.00 0.00 C ATOM 999 CG2 VAL A 65 4.090 -1.048 10.871 1.00 0.00 C ATOM 0 H VAL A 65 2.220 -2.516 7.924 1.00 0.00 H new ATOM 0 HA VAL A 65 2.462 0.172 9.071 1.00 0.00 H new ATOM 0 HB VAL A 65 4.797 -1.830 8.991 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.239 0.084 9.637 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.479 0.363 8.052 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.844 1.180 9.500 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.033 -1.227 11.387 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.639 -0.130 11.248 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.414 -1.884 11.050 1.00 0.00 H new ATOM 1009 N ARG A 66 4.493 -0.502 6.722 1.00 0.00 N ATOM 1010 CA ARG A 66 4.863 -0.163 5.315 1.00 0.00 C ATOM 1011 C ARG A 66 6.017 -1.058 4.851 1.00 0.00 C ATOM 1012 O ARG A 66 6.683 -1.686 5.650 1.00 0.00 O ATOM 1013 CB ARG A 66 5.311 1.297 5.376 1.00 0.00 C ATOM 1014 CG ARG A 66 5.074 1.968 4.017 1.00 0.00 C ATOM 1015 CD ARG A 66 4.468 3.369 4.198 1.00 0.00 C ATOM 1016 NE ARG A 66 3.852 3.374 5.554 1.00 0.00 N ATOM 1017 CZ ARG A 66 3.982 4.420 6.324 1.00 0.00 C ATOM 1018 NH1 ARG A 66 3.508 5.575 5.943 1.00 0.00 N ATOM 1019 NH2 ARG A 66 4.587 4.311 7.475 1.00 0.00 N ATOM 0 H ARG A 66 5.252 -0.899 7.276 1.00 0.00 H new ATOM 0 HA ARG A 66 4.040 -0.312 4.616 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.759 1.825 6.154 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.367 1.353 5.641 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.016 2.042 3.474 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.406 1.353 3.414 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.234 4.140 4.114 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.723 3.575 3.430 1.00 0.00 H new ATOM 0 HE ARG A 66 3.329 2.561 5.881 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.036 5.661 5.043 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.610 6.392 6.545 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.958 3.409 7.773 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.689 5.128 8.077 1.00 0.00 H new ATOM 1033 N PHE A 67 6.262 -1.124 3.569 1.00 0.00 N ATOM 1034 CA PHE A 67 7.373 -1.988 3.071 1.00 0.00 C ATOM 1035 C PHE A 67 8.047 -1.359 1.850 1.00 0.00 C ATOM 1036 O PHE A 67 7.663 -0.304 1.386 1.00 0.00 O ATOM 1037 CB PHE A 67 6.700 -3.300 2.668 1.00 0.00 C ATOM 1038 CG PHE A 67 6.416 -3.291 1.181 1.00 0.00 C ATOM 1039 CD1 PHE A 67 6.026 -2.106 0.545 1.00 0.00 C ATOM 1040 CD2 PHE A 67 6.542 -4.469 0.439 1.00 0.00 C ATOM 1041 CE1 PHE A 67 5.763 -2.100 -0.829 1.00 0.00 C ATOM 1042 CE2 PHE A 67 6.279 -4.460 -0.936 1.00 0.00 C ATOM 1043 CZ PHE A 67 5.891 -3.277 -1.569 1.00 0.00 C ATOM 0 H PHE A 67 5.744 -0.620 2.849 1.00 0.00 H new ATOM 0 HA PHE A 67 8.146 -2.125 3.827 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.344 -4.143 2.920 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.772 -3.430 3.225 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.928 -1.195 1.116 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.842 -5.385 0.926 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.461 -1.185 -1.317 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.376 -5.370 -1.509 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.690 -3.273 -2.630 1.00 0.00 H new ATOM 1053 N VAL A 68 9.062 -1.996 1.335 1.00 0.00 N ATOM 1054 CA VAL A 68 9.753 -1.477 0.122 1.00 0.00 C ATOM 1055 C VAL A 68 9.077 -2.049 -1.120 1.00 0.00 C ATOM 1056 O VAL A 68 8.991 -3.258 -1.267 1.00 0.00 O ATOM 1057 CB VAL A 68 11.195 -1.941 0.243 1.00 0.00 C ATOM 1058 CG1 VAL A 68 11.970 -1.539 -1.013 1.00 0.00 C ATOM 1059 CG2 VAL A 68 11.843 -1.293 1.469 1.00 0.00 C ATOM 0 H VAL A 68 9.446 -2.864 1.708 1.00 0.00 H new ATOM 0 HA VAL A 68 9.709 -0.391 0.038 1.00 0.00 H new ATOM 0 HB VAL A 68 11.216 -3.025 0.352 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.004 -1.872 -0.925 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.512 -2.003 -1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.947 -0.455 -1.124 1.00 0.00 H new ATOM 0 HG21 VAL A 68 12.877 -1.627 1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.820 -0.208 1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 68 11.294 -1.581 2.366 1.00 0.00 H new ATOM 1069 N GLY A 69 8.588 -1.233 -2.000 1.00 0.00 N ATOM 1070 CA GLY A 69 7.915 -1.788 -3.204 1.00 0.00 C ATOM 1071 C GLY A 69 7.829 -0.749 -4.313 1.00 0.00 C ATOM 1072 O GLY A 69 6.973 0.108 -4.307 1.00 0.00 O ATOM 0 H GLY A 69 8.622 -0.215 -1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.463 -2.660 -3.561 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.913 -2.127 -2.940 1.00 0.00 H new ATOM 1076 N ALA A 70 8.676 -0.833 -5.287 1.00 0.00 N ATOM 1077 CA ALA A 70 8.598 0.140 -6.395 1.00 0.00 C ATOM 1078 C ALA A 70 7.673 -0.426 -7.473 1.00 0.00 C ATOM 1079 O ALA A 70 6.491 -0.138 -7.468 1.00 0.00 O ATOM 1080 CB ALA A 70 10.039 0.296 -6.862 1.00 0.00 C ATOM 0 H ALA A 70 9.416 -1.530 -5.364 1.00 0.00 H new ATOM 0 HA ALA A 70 8.185 1.111 -6.121 1.00 0.00 H new ATOM 0 HB1 ALA A 70 10.079 1.005 -7.689 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.651 0.664 -6.038 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.421 -0.670 -7.194 1.00 0.00 H new ATOM 1086 N PRO A 71 8.204 -1.258 -8.336 1.00 0.00 N ATOM 1087 CA PRO A 71 7.335 -1.862 -9.359 1.00 0.00 C ATOM 1088 C PRO A 71 6.616 -3.067 -8.750 1.00 0.00 C ATOM 1089 O PRO A 71 6.028 -3.873 -9.441 1.00 0.00 O ATOM 1090 CB PRO A 71 8.337 -2.347 -10.417 1.00 0.00 C ATOM 1091 CG PRO A 71 9.626 -2.553 -9.681 1.00 0.00 C ATOM 1092 CD PRO A 71 9.601 -1.672 -8.455 1.00 0.00 C ATOM 0 HA PRO A 71 6.579 -1.184 -9.755 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.999 -3.272 -10.883 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.453 -1.612 -11.214 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.742 -3.599 -9.398 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.474 -2.299 -10.317 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.932 -2.214 -7.569 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.262 -0.813 -8.569 1.00 0.00 H new ATOM 1100 N SER A 72 6.627 -3.171 -7.442 1.00 0.00 N ATOM 1101 CA SER A 72 5.943 -4.322 -6.781 1.00 0.00 C ATOM 1102 C SER A 72 4.572 -3.916 -6.240 1.00 0.00 C ATOM 1103 O SER A 72 4.362 -3.852 -5.045 1.00 0.00 O ATOM 1104 CB SER A 72 6.869 -4.721 -5.632 1.00 0.00 C ATOM 1105 OG SER A 72 7.179 -3.570 -4.857 1.00 0.00 O ATOM 0 H SER A 72 7.078 -2.511 -6.809 1.00 0.00 H new ATOM 0 HA SER A 72 5.767 -5.140 -7.480 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.389 -5.475 -5.008 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.783 -5.166 -6.024 1.00 0.00 H new ATOM 0 HG SER A 72 6.350 -3.165 -4.527 1.00 0.00 H new ATOM 1111 N ARG A 73 3.627 -3.659 -7.101 1.00 0.00 N ATOM 1112 CA ARG A 73 2.272 -3.282 -6.618 1.00 0.00 C ATOM 1113 C ARG A 73 1.559 -4.523 -6.092 1.00 0.00 C ATOM 1114 O ARG A 73 0.889 -4.486 -5.082 1.00 0.00 O ATOM 1115 CB ARG A 73 1.550 -2.710 -7.836 1.00 0.00 C ATOM 1116 CG ARG A 73 1.956 -3.497 -9.084 1.00 0.00 C ATOM 1117 CD ARG A 73 0.711 -3.822 -9.912 1.00 0.00 C ATOM 1118 NE ARG A 73 1.234 -4.393 -11.184 1.00 0.00 N ATOM 1119 CZ ARG A 73 1.000 -5.642 -11.483 1.00 0.00 C ATOM 1120 NH1 ARG A 73 -0.129 -6.196 -11.134 1.00 0.00 N ATOM 1121 NH2 ARG A 73 1.895 -6.336 -12.131 1.00 0.00 N ATOM 0 H ARG A 73 3.735 -3.694 -8.115 1.00 0.00 H new ATOM 0 HA ARG A 73 2.303 -2.557 -5.805 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.471 -2.766 -7.692 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.801 -1.656 -7.960 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.660 -2.916 -9.680 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.465 -4.417 -8.797 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.067 -4.534 -9.395 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.115 -2.928 -10.096 1.00 0.00 H new ATOM 0 HE ARG A 73 1.775 -3.808 -11.821 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.828 -5.653 -10.628 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.312 -7.172 -11.368 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.777 -5.903 -12.404 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.713 -7.312 -12.365 1.00 0.00 H new ATOM 1135 N GLU A 74 1.704 -5.630 -6.766 1.00 0.00 N ATOM 1136 CA GLU A 74 1.045 -6.875 -6.291 1.00 0.00 C ATOM 1137 C GLU A 74 1.282 -7.026 -4.795 1.00 0.00 C ATOM 1138 O GLU A 74 0.427 -7.474 -4.059 1.00 0.00 O ATOM 1139 CB GLU A 74 1.703 -8.011 -7.067 1.00 0.00 C ATOM 1140 CG GLU A 74 0.625 -8.933 -7.640 1.00 0.00 C ATOM 1141 CD GLU A 74 0.473 -8.673 -9.139 1.00 0.00 C ATOM 1142 OE1 GLU A 74 0.971 -7.658 -9.598 1.00 0.00 O ATOM 1143 OE2 GLU A 74 -0.139 -9.492 -9.804 1.00 0.00 O ATOM 0 H GLU A 74 2.249 -5.725 -7.623 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.033 -6.868 -6.453 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.316 -7.607 -7.873 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.368 -8.575 -6.412 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.894 -9.975 -7.467 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.324 -8.760 -7.132 1.00 0.00 H new ATOM 1150 N GLU A 75 2.440 -6.642 -4.338 1.00 0.00 N ATOM 1151 CA GLU A 75 2.724 -6.750 -2.889 1.00 0.00 C ATOM 1152 C GLU A 75 1.553 -6.153 -2.115 1.00 0.00 C ATOM 1153 O GLU A 75 1.101 -6.697 -1.127 1.00 0.00 O ATOM 1154 CB GLU A 75 3.987 -5.922 -2.688 1.00 0.00 C ATOM 1155 CG GLU A 75 5.160 -6.857 -2.399 1.00 0.00 C ATOM 1156 CD GLU A 75 5.298 -7.058 -0.889 1.00 0.00 C ATOM 1157 OE1 GLU A 75 4.486 -6.509 -0.162 1.00 0.00 O ATOM 1158 OE2 GLU A 75 6.212 -7.757 -0.485 1.00 0.00 O ATOM 0 H GLU A 75 3.197 -6.260 -4.906 1.00 0.00 H new ATOM 0 HA GLU A 75 2.857 -7.775 -2.544 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.192 -5.327 -3.578 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.851 -5.224 -1.862 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.002 -7.817 -2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.080 -6.438 -2.806 1.00 0.00 H new ATOM 1165 N LEU A 76 1.041 -5.048 -2.581 1.00 0.00 N ATOM 1166 CA LEU A 76 -0.125 -4.424 -1.901 1.00 0.00 C ATOM 1167 C LEU A 76 -1.262 -5.437 -1.835 1.00 0.00 C ATOM 1168 O LEU A 76 -1.962 -5.547 -0.848 1.00 0.00 O ATOM 1169 CB LEU A 76 -0.526 -3.248 -2.790 1.00 0.00 C ATOM 1170 CG LEU A 76 0.480 -2.108 -2.634 1.00 0.00 C ATOM 1171 CD1 LEU A 76 1.745 -2.427 -3.432 1.00 0.00 C ATOM 1172 CD2 LEU A 76 -0.142 -0.813 -3.161 1.00 0.00 C ATOM 0 H LEU A 76 1.381 -4.551 -3.404 1.00 0.00 H new ATOM 0 HA LEU A 76 0.104 -4.103 -0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.568 -3.567 -3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.524 -2.902 -2.522 1.00 0.00 H new ATOM 0 HG LEU A 76 0.738 -1.990 -1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.461 -1.613 -3.320 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.186 -3.352 -3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.491 -2.544 -4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.571 0.004 -3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.397 -0.934 -4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.044 -0.585 -2.593 1.00 0.00 H new ATOM 1184 N PHE A 77 -1.445 -6.184 -2.890 1.00 0.00 N ATOM 1185 CA PHE A 77 -2.532 -7.196 -2.902 1.00 0.00 C ATOM 1186 C PHE A 77 -2.306 -8.217 -1.785 1.00 0.00 C ATOM 1187 O PHE A 77 -3.220 -8.622 -1.100 1.00 0.00 O ATOM 1188 CB PHE A 77 -2.444 -7.865 -4.277 1.00 0.00 C ATOM 1189 CG PHE A 77 -2.327 -9.361 -4.107 1.00 0.00 C ATOM 1190 CD1 PHE A 77 -3.480 -10.144 -3.978 1.00 0.00 C ATOM 1191 CD2 PHE A 77 -1.065 -9.966 -4.076 1.00 0.00 C ATOM 1192 CE1 PHE A 77 -3.372 -11.529 -3.819 1.00 0.00 C ATOM 1193 CE2 PHE A 77 -0.956 -11.351 -3.917 1.00 0.00 C ATOM 1194 CZ PHE A 77 -2.110 -12.134 -3.788 1.00 0.00 C ATOM 0 H PHE A 77 -0.887 -6.135 -3.743 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.514 -6.753 -2.735 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.328 -7.624 -4.867 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.582 -7.483 -4.824 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.454 -9.678 -4.001 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.175 -9.363 -4.175 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.262 -12.132 -3.720 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.018 -11.817 -3.894 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.026 -13.204 -3.665 1.00 0.00 H new ATOM 1204 N GLU A 78 -1.095 -8.641 -1.610 1.00 0.00 N ATOM 1205 CA GLU A 78 -0.764 -9.619 -0.537 1.00 0.00 C ATOM 1206 C GLU A 78 -0.690 -8.916 0.820 1.00 0.00 C ATOM 1207 O GLU A 78 -0.773 -9.534 1.861 1.00 0.00 O ATOM 1208 CB GLU A 78 0.553 -10.251 -0.933 1.00 0.00 C ATOM 1209 CG GLU A 78 0.831 -11.460 -0.038 1.00 0.00 C ATOM 1210 CD GLU A 78 1.078 -12.694 -0.908 1.00 0.00 C ATOM 1211 OE1 GLU A 78 0.301 -12.915 -1.821 1.00 0.00 O ATOM 1212 OE2 GLU A 78 2.041 -13.396 -0.645 1.00 0.00 O ATOM 0 H GLU A 78 -0.299 -8.347 -2.176 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.530 -10.388 -0.432 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.520 -10.559 -1.978 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.360 -9.524 -0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.699 -11.267 0.592 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.014 -11.635 0.628 1.00 0.00 H new ATOM 1219 N ALA A 79 -0.458 -7.628 0.815 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.334 -6.894 2.105 1.00 0.00 C ATOM 1221 C ALA A 79 -1.723 -6.615 2.682 1.00 0.00 C ATOM 1222 O ALA A 79 -1.937 -6.721 3.872 1.00 0.00 O ATOM 1223 CB ALA A 79 0.378 -5.587 1.759 1.00 0.00 C ATOM 0 H ALA A 79 -0.350 -7.057 -0.024 1.00 0.00 H new ATOM 0 HA ALA A 79 0.216 -7.464 2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.505 -4.992 2.663 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.355 -5.808 1.330 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.218 -5.028 1.037 1.00 0.00 H new ATOM 1229 N ILE A 80 -2.672 -6.272 1.860 1.00 0.00 N ATOM 1230 CA ILE A 80 -4.041 -6.018 2.383 1.00 0.00 C ATOM 1231 C ILE A 80 -4.615 -7.327 2.920 1.00 0.00 C ATOM 1232 O ILE A 80 -5.390 -7.348 3.852 1.00 0.00 O ATOM 1233 CB ILE A 80 -4.846 -5.472 1.217 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -4.844 -3.942 1.283 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -6.283 -5.985 1.306 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -3.585 -3.464 2.007 1.00 0.00 C ATOM 0 H ILE A 80 -2.560 -6.157 0.853 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.056 -5.302 3.205 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.404 -5.801 0.277 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.879 -3.524 0.277 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.733 -3.589 1.806 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.862 -5.593 0.469 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.283 -7.074 1.269 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.730 -5.653 2.243 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.584 -2.375 2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.570 -3.871 3.018 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.702 -3.805 1.466 1.00 0.00 H new ATOM 1248 N ASN A 81 -4.243 -8.427 2.323 1.00 0.00 N ATOM 1249 CA ASN A 81 -4.741 -9.749 2.799 1.00 0.00 C ATOM 1250 C ASN A 81 -3.955 -10.158 4.041 1.00 0.00 C ATOM 1251 O ASN A 81 -4.489 -10.746 4.968 1.00 0.00 O ATOM 1252 CB ASN A 81 -4.491 -10.725 1.662 1.00 0.00 C ATOM 1253 CG ASN A 81 -3.862 -12.002 2.220 1.00 0.00 C ATOM 1254 OD1 ASN A 81 -4.555 -12.871 2.710 1.00 0.00 O ATOM 1255 ND2 ASN A 81 -2.567 -12.155 2.165 1.00 0.00 N ATOM 0 H ASN A 81 -3.612 -8.467 1.522 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.798 -9.724 3.064 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.428 -10.959 1.156 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.831 -10.275 0.920 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.138 -13.004 2.533 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.984 -11.426 1.754 1.00 0.00 H new ATOM 1262 N ASP A 82 -2.690 -9.693 4.123 1.00 0.00 N ATOM 1263 CA ASP A 82 -1.987 -10.155 5.348 1.00 0.00 C ATOM 1264 C ASP A 82 -2.204 -9.048 6.397 1.00 0.00 C ATOM 1265 O ASP A 82 -2.235 -9.374 7.595 1.00 0.00 O ATOM 1266 CB ASP A 82 -0.453 -9.876 4.903 1.00 0.00 C ATOM 1267 CG ASP A 82 0.449 -9.885 6.140 1.00 0.00 C ATOM 1268 OD1 ASP A 82 0.325 -8.980 6.949 1.00 0.00 O ATOM 1269 OD2 ASP A 82 1.246 -10.802 6.259 1.00 0.00 O ATOM 0 H ASP A 82 -2.190 -9.090 3.469 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.262 -11.151 5.694 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.125 -10.637 4.195 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.380 -8.915 4.394 1.00 0.00 H new ATOM 1274 N GLU A 83 -2.774 -7.950 6.005 1.00 0.00 N ATOM 1275 CA GLU A 83 -3.187 -6.902 6.974 1.00 0.00 C ATOM 1276 C GLU A 83 -4.442 -7.385 7.687 1.00 0.00 C ATOM 1277 O GLU A 83 -4.500 -7.446 8.901 1.00 0.00 O ATOM 1278 CB GLU A 83 -3.492 -5.686 6.087 1.00 0.00 C ATOM 1279 CG GLU A 83 -4.917 -5.165 6.341 1.00 0.00 C ATOM 1280 CD GLU A 83 -5.025 -4.612 7.762 1.00 0.00 C ATOM 1281 OE1 GLU A 83 -5.131 -5.405 8.683 1.00 0.00 O ATOM 1282 OE2 GLU A 83 -5.014 -3.400 7.902 1.00 0.00 O ATOM 0 H GLU A 83 -2.977 -7.728 5.030 1.00 0.00 H new ATOM 0 HA GLU A 83 -2.442 -6.671 7.735 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.770 -4.894 6.287 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.382 -5.960 5.038 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.163 -4.386 5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.638 -5.970 6.199 1.00 0.00 H new ATOM 1289 N MET A 84 -5.445 -7.733 6.936 1.00 0.00 N ATOM 1290 CA MET A 84 -6.709 -8.227 7.554 1.00 0.00 C ATOM 1291 C MET A 84 -6.533 -9.663 8.056 1.00 0.00 C ATOM 1292 O MET A 84 -7.241 -10.113 8.935 1.00 0.00 O ATOM 1293 CB MET A 84 -7.736 -8.183 6.416 1.00 0.00 C ATOM 1294 CG MET A 84 -8.531 -9.491 6.381 1.00 0.00 C ATOM 1295 SD MET A 84 -7.801 -10.614 5.161 1.00 0.00 S ATOM 1296 CE MET A 84 -8.272 -9.683 3.682 1.00 0.00 C ATOM 0 H MET A 84 -5.447 -7.698 5.917 1.00 0.00 H new ATOM 0 HA MET A 84 -7.013 -7.628 8.413 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.412 -7.340 6.557 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.230 -8.029 5.463 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.528 -9.957 7.366 1.00 0.00 H new ATOM 0 HG3 MET A 84 -9.572 -9.289 6.127 1.00 0.00 H new ATOM 0 HE1 MET A 84 -8.504 -10.377 2.874 1.00 0.00 H new ATOM 0 HE2 MET A 84 -9.149 -9.074 3.900 1.00 0.00 H new ATOM 0 HE3 MET A 84 -7.447 -9.037 3.381 1.00 0.00 H new ATOM 1306 N GLU A 85 -5.582 -10.377 7.521 1.00 0.00 N ATOM 1307 CA GLU A 85 -5.358 -11.781 7.973 1.00 0.00 C ATOM 1308 C GLU A 85 -4.152 -12.384 7.248 1.00 0.00 C ATOM 1309 O GLU A 85 -3.074 -12.364 7.818 1.00 0.00 O ATOM 1310 CB GLU A 85 -6.639 -12.528 7.597 1.00 0.00 C ATOM 1311 CG GLU A 85 -6.576 -13.955 8.144 1.00 0.00 C ATOM 1312 CD GLU A 85 -7.521 -14.085 9.341 1.00 0.00 C ATOM 1313 OE1 GLU A 85 -8.706 -14.270 9.117 1.00 0.00 O ATOM 1314 OE2 GLU A 85 -7.043 -13.998 10.460 1.00 0.00 O ATOM 1315 OXT GLU A 85 -4.328 -12.854 6.136 1.00 0.00 O ATOM 0 H GLU A 85 -4.950 -10.050 6.790 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.149 -11.843 9.041 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.508 -12.009 8.003 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.757 -12.547 6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.856 -14.666 7.367 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.556 -14.196 8.444 1.00 0.00 H new TER 1322 GLU A 85