USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 667 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 53 HIS : no HE2:sc= 1.08 K(o=3.2,f=-5!) USER MOD Set 1.2: A 86 THR OG1 : rot -39:sc= 2.12 USER MOD Set 2.1: A 31 GLN : amide:sc= 0.109 X(o=0.16,f=0.19) USER MOD Set 2.2: A 36 CYS SG : rot 172:sc= 0.118 USER MOD Set 2.3: A 37 SER OG : rot 180:sc= -0.0717 USER MOD Set 3.1: A 32 ASN : amide:sc= -0.0562 K(o=-0.056,f=-1.1) USER MOD Set 3.2: A 68 HIS : no HD1:sc= 0 X(o=-0.056,f=-0.061) USER MOD Single : A 8 THR OG1 : rot -7:sc= 0.533 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot -140:sc= -0.577 USER MOD Single : A 66 THR OG1 : rot -165:sc= -2.49! USER MOD Single : A 70 LYS NZ :NH3+ -173:sc=-0.00123 (180deg=-0.0958) USER MOD Single : A 73 HIS : no HD1:sc=-0.00885 X(o=-0.0088,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.079 X(o=-0.079,f=-0.0021) USER MOD Single : A 84 MET CE :methyl 146:sc= -2.72! (180deg=-4.93!) USER MOD Single : A 85 LYS NZ :NH3+ -174:sc= 1.19 (180deg=1.14) USER MOD Single : A 87 MET CE :methyl -148:sc= -1.56! (180deg=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 7 18.070 0.020 10.262 1.00 0.00 N ATOM 2 CA GLU A 7 17.129 -1.029 10.621 1.00 0.00 C ATOM 3 C GLU A 7 16.407 -1.525 9.382 1.00 0.00 C ATOM 4 O GLU A 7 15.369 -0.995 8.990 1.00 0.00 O ATOM 5 CB GLU A 7 16.099 -0.566 11.691 1.00 0.00 C ATOM 6 CG GLU A 7 16.670 -0.222 13.075 1.00 0.00 C ATOM 7 CD GLU A 7 17.567 0.986 13.072 1.00 0.00 C ATOM 8 OE1 GLU A 7 18.741 0.856 12.695 1.00 0.00 O ATOM 9 OE2 GLU A 7 17.110 2.086 13.417 1.00 0.00 O ATOM 0 HA GLU A 7 17.706 -1.842 11.062 1.00 0.00 H new ATOM 0 HB2 GLU A 7 15.577 0.311 11.308 1.00 0.00 H new ATOM 0 HB3 GLU A 7 15.354 -1.352 11.813 1.00 0.00 H new ATOM 0 HG2 GLU A 7 15.845 -0.050 13.767 1.00 0.00 H new ATOM 0 HG3 GLU A 7 17.229 -1.079 13.452 1.00 0.00 H new ATOM 16 N THR A 8 17.022 -2.453 8.713 1.00 0.00 N ATOM 17 CA THR A 8 16.475 -3.120 7.565 1.00 0.00 C ATOM 18 C THR A 8 17.177 -4.472 7.474 1.00 0.00 C ATOM 19 O THR A 8 18.293 -4.559 6.974 1.00 0.00 O ATOM 20 CB THR A 8 16.716 -2.309 6.253 1.00 0.00 C ATOM 21 OG1 THR A 8 16.225 -0.961 6.413 1.00 0.00 O ATOM 22 CG2 THR A 8 15.992 -2.954 5.077 1.00 0.00 C ATOM 0 H THR A 8 17.956 -2.781 8.960 1.00 0.00 H new ATOM 0 HA THR A 8 15.396 -3.226 7.674 1.00 0.00 H new ATOM 0 HB THR A 8 17.788 -2.299 6.054 1.00 0.00 H new ATOM 0 HG1 THR A 8 15.751 -0.885 7.268 1.00 0.00 H new ATOM 0 HG21 THR A 8 16.174 -2.372 4.174 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.362 -3.970 4.935 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.921 -2.983 5.280 1.00 0.00 H new ATOM 30 N MET A 9 16.569 -5.483 8.058 1.00 0.00 N ATOM 31 CA MET A 9 17.162 -6.814 8.110 1.00 0.00 C ATOM 32 C MET A 9 17.313 -7.447 6.726 1.00 0.00 C ATOM 33 O MET A 9 18.421 -7.747 6.301 1.00 0.00 O ATOM 34 CB MET A 9 16.388 -7.729 9.068 1.00 0.00 C ATOM 35 CG MET A 9 16.981 -9.125 9.195 1.00 0.00 C ATOM 36 SD MET A 9 16.117 -10.150 10.404 1.00 0.00 S ATOM 37 CE MET A 9 17.008 -11.685 10.208 1.00 0.00 C ATOM 0 H MET A 9 15.657 -5.413 8.509 1.00 0.00 H new ATOM 0 HA MET A 9 18.171 -6.693 8.503 1.00 0.00 H new ATOM 0 HB2 MET A 9 16.358 -7.266 10.054 1.00 0.00 H new ATOM 0 HB3 MET A 9 15.357 -7.812 8.724 1.00 0.00 H new ATOM 0 HG2 MET A 9 16.951 -9.616 8.223 1.00 0.00 H new ATOM 0 HG3 MET A 9 18.030 -9.044 9.479 1.00 0.00 H new ATOM 0 HE1 MET A 9 16.598 -12.433 10.887 1.00 0.00 H new ATOM 0 HE2 MET A 9 16.908 -12.035 9.180 1.00 0.00 H new ATOM 0 HE3 MET A 9 18.062 -11.526 10.437 1.00 0.00 H new ATOM 47 N GLY A 10 16.222 -7.635 6.031 1.00 0.00 N ATOM 48 CA GLY A 10 16.297 -8.241 4.718 1.00 0.00 C ATOM 49 C GLY A 10 14.941 -8.369 4.107 1.00 0.00 C ATOM 50 O GLY A 10 14.207 -9.286 4.435 1.00 0.00 O ATOM 0 H GLY A 10 15.283 -7.384 6.341 1.00 0.00 H new ATOM 0 HA2 GLY A 10 16.935 -7.638 4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.759 -9.225 4.794 1.00 0.00 H new ATOM 54 N ASN A 11 14.619 -7.439 3.218 1.00 0.00 N ATOM 55 CA ASN A 11 13.295 -7.348 2.573 1.00 0.00 C ATOM 56 C ASN A 11 12.242 -7.070 3.607 1.00 0.00 C ATOM 57 O ASN A 11 11.663 -7.973 4.199 1.00 0.00 O ATOM 58 CB ASN A 11 12.916 -8.593 1.741 1.00 0.00 C ATOM 59 CG ASN A 11 13.803 -8.841 0.547 1.00 0.00 C ATOM 60 OD1 ASN A 11 14.348 -7.916 -0.051 1.00 0.00 O ATOM 61 ND2 ASN A 11 13.953 -10.084 0.176 1.00 0.00 N ATOM 0 H ASN A 11 15.269 -6.714 2.914 1.00 0.00 H new ATOM 0 HA ASN A 11 13.355 -6.523 1.863 1.00 0.00 H new ATOM 0 HB2 ASN A 11 12.946 -9.470 2.388 1.00 0.00 H new ATOM 0 HB3 ASN A 11 11.887 -8.485 1.397 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.536 -10.309 -0.631 1.00 0.00 H new ATOM 0 HD22 ASN A 11 13.488 -10.830 0.693 1.00 0.00 H new ATOM 68 N VAL A 12 12.006 -5.826 3.840 1.00 0.00 N ATOM 69 CA VAL A 12 11.115 -5.427 4.853 1.00 0.00 C ATOM 70 C VAL A 12 10.047 -4.587 4.269 1.00 0.00 C ATOM 71 O VAL A 12 10.299 -3.567 3.631 1.00 0.00 O ATOM 72 CB VAL A 12 11.814 -4.684 6.020 1.00 0.00 C ATOM 73 CG1 VAL A 12 10.790 -4.142 7.008 1.00 0.00 C ATOM 74 CG2 VAL A 12 12.767 -5.608 6.746 1.00 0.00 C ATOM 0 H VAL A 12 12.433 -5.057 3.324 1.00 0.00 H new ATOM 0 HA VAL A 12 10.686 -6.332 5.282 1.00 0.00 H new ATOM 0 HB VAL A 12 12.374 -3.851 5.594 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.304 -3.625 7.818 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.125 -3.446 6.497 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.207 -4.967 7.417 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.248 -5.067 7.561 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.215 -6.457 7.149 1.00 0.00 H new ATOM 0 HG23 VAL A 12 13.526 -5.966 6.051 1.00 0.00 H new ATOM 84 N THR A 13 8.902 -5.037 4.466 1.00 0.00 N ATOM 85 CA THR A 13 7.725 -4.419 4.067 1.00 0.00 C ATOM 86 C THR A 13 7.054 -3.903 5.307 1.00 0.00 C ATOM 87 O THR A 13 6.609 -4.677 6.177 1.00 0.00 O ATOM 88 CB THR A 13 6.847 -5.447 3.352 1.00 0.00 C ATOM 89 OG1 THR A 13 7.404 -5.780 2.065 1.00 0.00 O ATOM 90 CG2 THR A 13 5.399 -5.010 3.227 1.00 0.00 C ATOM 0 H THR A 13 8.741 -5.920 4.950 1.00 0.00 H new ATOM 0 HA THR A 13 7.909 -3.594 3.379 1.00 0.00 H new ATOM 0 HB THR A 13 6.839 -6.341 3.975 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.831 -6.440 1.622 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.829 -5.783 2.711 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.979 -4.852 4.221 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.347 -4.081 2.660 1.00 0.00 H new ATOM 98 N THR A 14 7.070 -2.639 5.435 1.00 0.00 N ATOM 99 CA THR A 14 6.461 -1.996 6.517 1.00 0.00 C ATOM 100 C THR A 14 4.975 -1.920 6.253 1.00 0.00 C ATOM 101 O THR A 14 4.533 -1.565 5.156 1.00 0.00 O ATOM 102 CB THR A 14 7.020 -0.597 6.679 1.00 0.00 C ATOM 103 OG1 THR A 14 8.472 -0.651 6.639 1.00 0.00 O ATOM 104 CG2 THR A 14 6.552 0.031 7.993 1.00 0.00 C ATOM 0 H THR A 14 7.519 -2.008 4.772 1.00 0.00 H new ATOM 0 HA THR A 14 6.656 -2.555 7.432 1.00 0.00 H new ATOM 0 HB THR A 14 6.654 0.024 5.861 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.836 0.253 6.742 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.967 1.035 8.085 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.463 0.086 8.002 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.891 -0.580 8.829 1.00 0.00 H new ATOM 112 N VAL A 15 4.247 -2.273 7.218 1.00 0.00 N ATOM 113 CA VAL A 15 2.842 -2.285 7.169 1.00 0.00 C ATOM 114 C VAL A 15 2.332 -1.223 8.062 1.00 0.00 C ATOM 115 O VAL A 15 2.901 -0.982 9.132 1.00 0.00 O ATOM 116 CB VAL A 15 2.323 -3.646 7.646 1.00 0.00 C ATOM 117 CG1 VAL A 15 0.839 -3.617 7.952 1.00 0.00 C ATOM 118 CG2 VAL A 15 2.610 -4.692 6.606 1.00 0.00 C ATOM 0 H VAL A 15 4.625 -2.579 8.115 1.00 0.00 H new ATOM 0 HA VAL A 15 2.503 -2.112 6.148 1.00 0.00 H new ATOM 0 HB VAL A 15 2.843 -3.890 8.572 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.517 -4.603 8.286 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.644 -2.886 8.737 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.288 -3.341 7.053 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.239 -5.658 6.949 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.114 -4.424 5.673 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.685 -4.754 6.440 1.00 0.00 H new ATOM 128 N LEU A 16 1.316 -0.562 7.639 1.00 0.00 N ATOM 129 CA LEU A 16 0.698 0.338 8.482 1.00 0.00 C ATOM 130 C LEU A 16 -0.740 -0.035 8.613 1.00 0.00 C ATOM 131 O LEU A 16 -1.504 0.029 7.659 1.00 0.00 O ATOM 132 CB LEU A 16 0.821 1.759 8.021 1.00 0.00 C ATOM 133 CG LEU A 16 0.325 2.763 9.036 1.00 0.00 C ATOM 134 CD1 LEU A 16 1.335 2.977 10.132 1.00 0.00 C ATOM 135 CD2 LEU A 16 -0.038 4.033 8.395 1.00 0.00 C ATOM 0 H LEU A 16 0.909 -0.642 6.707 1.00 0.00 H new ATOM 0 HA LEU A 16 1.202 0.285 9.447 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.866 1.970 7.792 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.261 1.883 7.094 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.576 2.352 9.492 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.949 3.704 10.846 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.524 2.033 10.642 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.265 3.349 9.702 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.391 4.734 9.151 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.835 4.450 7.893 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.828 3.859 7.664 1.00 0.00 H new ATOM 147 N ILE A 17 -1.084 -0.440 9.764 1.00 0.00 N ATOM 148 CA ILE A 17 -2.418 -0.764 10.076 1.00 0.00 C ATOM 149 C ILE A 17 -3.016 0.399 10.776 1.00 0.00 C ATOM 150 O ILE A 17 -2.402 0.977 11.668 1.00 0.00 O ATOM 151 CB ILE A 17 -2.507 -2.078 10.942 1.00 0.00 C ATOM 152 CG1 ILE A 17 -2.932 -3.235 10.071 1.00 0.00 C ATOM 153 CG2 ILE A 17 -3.480 -1.952 12.119 1.00 0.00 C ATOM 154 CD1 ILE A 17 -4.320 -3.029 9.521 1.00 0.00 C ATOM 0 H ILE A 17 -0.433 -0.560 10.540 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.975 -0.970 9.162 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.514 -2.250 11.356 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.227 -3.351 9.248 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.902 -4.158 10.650 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.498 -2.888 12.678 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.155 -1.144 12.775 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.480 -1.734 11.743 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.595 -3.880 8.898 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.028 -2.938 10.345 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.342 -2.119 8.922 1.00 0.00 H new ATOM 166 N ARG A 18 -4.142 0.815 10.313 1.00 0.00 N ATOM 167 CA ARG A 18 -4.846 1.830 10.985 1.00 0.00 C ATOM 168 C ARG A 18 -6.085 1.275 11.565 1.00 0.00 C ATOM 169 O ARG A 18 -7.057 0.968 10.877 1.00 0.00 O ATOM 170 CB ARG A 18 -5.045 3.073 10.141 1.00 0.00 C ATOM 171 CG ARG A 18 -3.744 3.839 9.996 1.00 0.00 C ATOM 172 CD ARG A 18 -3.888 5.090 9.187 1.00 0.00 C ATOM 173 NE ARG A 18 -4.899 6.012 9.715 1.00 0.00 N ATOM 174 CZ ARG A 18 -5.389 7.072 9.040 1.00 0.00 C ATOM 175 NH1 ARG A 18 -4.996 7.314 7.781 1.00 0.00 N ATOM 176 NH2 ARG A 18 -6.280 7.867 9.610 1.00 0.00 N ATOM 0 H ARG A 18 -4.590 0.462 9.468 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.238 2.189 11.815 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.419 2.793 9.156 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.800 3.712 10.599 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.367 4.095 10.986 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.000 3.194 9.529 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.926 5.601 9.148 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.149 4.824 8.163 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.255 5.840 10.655 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.323 6.695 7.329 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.370 8.117 7.275 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.597 7.679 10.561 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.650 8.668 9.098 1.00 0.00 H new ATOM 190 N ARG A 19 -5.995 1.075 12.822 1.00 0.00 N ATOM 191 CA ARG A 19 -7.024 0.483 13.603 1.00 0.00 C ATOM 192 C ARG A 19 -7.620 1.500 14.570 1.00 0.00 C ATOM 193 O ARG A 19 -6.947 1.928 15.474 1.00 0.00 O ATOM 194 CB ARG A 19 -6.416 -0.674 14.368 1.00 0.00 C ATOM 195 CG ARG A 19 -7.365 -1.385 15.283 1.00 0.00 C ATOM 196 CD ARG A 19 -6.695 -2.576 15.903 1.00 0.00 C ATOM 197 NE ARG A 19 -7.640 -3.417 16.588 1.00 0.00 N ATOM 198 CZ ARG A 19 -7.347 -4.558 17.198 1.00 0.00 C ATOM 199 NH1 ARG A 19 -6.108 -4.797 17.572 1.00 0.00 N ATOM 200 NH2 ARG A 19 -8.321 -5.424 17.497 1.00 0.00 N ATOM 0 H ARG A 19 -5.169 1.328 13.365 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.829 0.133 12.957 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.013 -1.393 13.654 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.576 -0.303 14.955 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.708 -0.705 16.063 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.247 -1.703 14.727 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.188 -3.153 15.130 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.931 -2.241 16.604 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.613 -3.112 16.606 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.379 -4.107 17.392 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.877 -5.673 18.041 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.288 -5.207 17.256 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.097 -6.302 17.966 1.00 0.00 H new ATOM 214 N PRO A 20 -8.870 1.924 14.365 1.00 0.00 N ATOM 215 CA PRO A 20 -9.542 2.887 15.265 1.00 0.00 C ATOM 216 C PRO A 20 -9.600 2.392 16.725 1.00 0.00 C ATOM 217 O PRO A 20 -9.181 3.096 17.651 1.00 0.00 O ATOM 218 CB PRO A 20 -10.946 2.985 14.675 1.00 0.00 C ATOM 219 CG PRO A 20 -10.753 2.652 13.240 1.00 0.00 C ATOM 220 CD PRO A 20 -9.717 1.574 13.216 1.00 0.00 C ATOM 0 HA PRO A 20 -9.014 3.839 15.316 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.632 2.289 15.158 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.364 3.984 14.801 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.684 2.311 12.787 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.425 3.525 12.675 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.159 0.583 13.324 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.154 1.572 12.282 1.00 0.00 H new ATOM 228 N ASP A 21 -10.092 1.179 16.923 1.00 0.00 N ATOM 229 CA ASP A 21 -10.177 0.589 18.247 1.00 0.00 C ATOM 230 C ASP A 21 -10.263 -0.924 18.101 1.00 0.00 C ATOM 231 O ASP A 21 -10.171 -1.441 16.983 1.00 0.00 O ATOM 232 CB ASP A 21 -11.372 1.135 19.076 1.00 0.00 C ATOM 233 CG ASP A 21 -12.700 0.483 18.772 1.00 0.00 C ATOM 234 OD1 ASP A 21 -13.426 0.940 17.866 1.00 0.00 O ATOM 235 OD2 ASP A 21 -13.040 -0.489 19.453 1.00 0.00 O ATOM 0 H ASP A 21 -10.441 0.580 16.175 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.280 0.865 18.801 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.152 1.004 20.135 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.460 2.207 18.899 1.00 0.00 H new ATOM 240 N LEU A 22 -10.469 -1.617 19.201 1.00 0.00 N ATOM 241 CA LEU A 22 -10.462 -3.069 19.236 1.00 0.00 C ATOM 242 C LEU A 22 -11.677 -3.718 18.580 1.00 0.00 C ATOM 243 O LEU A 22 -11.657 -4.920 18.305 1.00 0.00 O ATOM 244 CB LEU A 22 -10.261 -3.560 20.653 1.00 0.00 C ATOM 245 CG LEU A 22 -8.977 -3.064 21.314 1.00 0.00 C ATOM 246 CD1 LEU A 22 -8.768 -3.729 22.634 1.00 0.00 C ATOM 247 CD2 LEU A 22 -7.790 -3.281 20.397 1.00 0.00 C ATOM 0 H LEU A 22 -10.648 -1.186 20.108 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.616 -3.385 18.625 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.112 -3.246 21.258 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.257 -4.650 20.650 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.073 -1.993 21.494 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.847 -3.360 23.086 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.609 -3.507 23.291 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.695 -4.807 22.491 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.883 -2.922 20.884 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.688 -4.344 20.179 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.944 -2.733 19.467 1.00 0.00 H new ATOM 259 N ARG A 23 -12.725 -2.932 18.317 1.00 0.00 N ATOM 260 CA ARG A 23 -13.912 -3.430 17.581 1.00 0.00 C ATOM 261 C ARG A 23 -13.506 -3.757 16.154 1.00 0.00 C ATOM 262 O ARG A 23 -14.156 -4.544 15.465 1.00 0.00 O ATOM 263 CB ARG A 23 -15.026 -2.389 17.513 1.00 0.00 C ATOM 264 CG ARG A 23 -15.625 -1.944 18.830 1.00 0.00 C ATOM 265 CD ARG A 23 -16.378 -3.039 19.549 1.00 0.00 C ATOM 266 NE ARG A 23 -17.120 -2.472 20.679 1.00 0.00 N ATOM 267 CZ ARG A 23 -18.351 -2.838 21.047 1.00 0.00 C ATOM 268 NH1 ARG A 23 -18.922 -3.912 20.522 1.00 0.00 N ATOM 269 NH2 ARG A 23 -18.998 -2.139 21.962 1.00 0.00 N ATOM 0 H ARG A 23 -12.785 -1.953 18.597 1.00 0.00 H new ATOM 0 HA ARG A 23 -14.281 -4.307 18.113 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.637 -1.508 17.002 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.828 -2.790 16.893 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.828 -1.576 19.477 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -16.300 -1.108 18.649 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -17.065 -3.532 18.862 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.682 -3.799 19.904 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.662 -1.743 21.226 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -18.421 -4.469 19.829 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.862 -4.182 20.810 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.558 -1.322 22.386 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.938 -2.416 22.245 1.00 0.00 H new ATOM 283 N TYR A 24 -12.445 -3.120 15.718 1.00 0.00 N ATOM 284 CA TYR A 24 -11.882 -3.373 14.430 1.00 0.00 C ATOM 285 C TYR A 24 -10.810 -4.373 14.635 1.00 0.00 C ATOM 286 O TYR A 24 -9.831 -4.070 15.272 1.00 0.00 O ATOM 287 CB TYR A 24 -11.257 -2.110 13.827 1.00 0.00 C ATOM 288 CG TYR A 24 -12.226 -1.061 13.359 1.00 0.00 C ATOM 289 CD1 TYR A 24 -12.856 -0.203 14.249 1.00 0.00 C ATOM 290 CD2 TYR A 24 -12.496 -0.920 12.009 1.00 0.00 C ATOM 291 CE1 TYR A 24 -13.732 0.762 13.798 1.00 0.00 C ATOM 292 CE2 TYR A 24 -13.364 0.039 11.553 1.00 0.00 C ATOM 293 CZ TYR A 24 -13.979 0.879 12.446 1.00 0.00 C ATOM 294 OH TYR A 24 -14.849 1.837 11.981 1.00 0.00 O ATOM 0 H TYR A 24 -11.951 -2.409 16.257 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.660 -3.716 13.748 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.598 -1.663 14.571 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -10.633 -2.404 12.983 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -12.658 -0.292 15.307 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -12.014 -1.578 11.301 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.221 1.422 14.499 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -13.562 0.132 10.495 1.00 0.00 H new ATOM 0 HH TYR A 24 -14.906 1.781 11.004 1.00 0.00 H new ATOM 304 N GLN A 25 -11.001 -5.556 14.182 1.00 0.00 N ATOM 305 CA GLN A 25 -9.984 -6.546 14.354 1.00 0.00 C ATOM 306 C GLN A 25 -9.066 -6.575 13.174 1.00 0.00 C ATOM 307 O GLN A 25 -9.460 -6.170 12.085 1.00 0.00 O ATOM 308 CB GLN A 25 -10.551 -7.906 14.665 1.00 0.00 C ATOM 309 CG GLN A 25 -11.285 -7.944 15.986 1.00 0.00 C ATOM 310 CD GLN A 25 -11.590 -9.341 16.406 1.00 0.00 C ATOM 311 OE1 GLN A 25 -12.631 -9.895 16.076 1.00 0.00 O ATOM 312 NE2 GLN A 25 -10.683 -9.933 17.122 1.00 0.00 N ATOM 0 H GLN A 25 -11.840 -5.869 13.693 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.396 -6.261 15.226 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.232 -8.202 13.867 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.743 -8.637 14.682 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.681 -7.457 16.752 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.213 -7.378 15.903 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -9.829 -9.436 17.376 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.824 -10.895 17.431 1.00 0.00 H new ATOM 321 N LEU A 26 -7.848 -7.048 13.414 1.00 0.00 N ATOM 322 CA LEU A 26 -6.759 -7.072 12.432 1.00 0.00 C ATOM 323 C LEU A 26 -7.229 -7.707 11.120 1.00 0.00 C ATOM 324 O LEU A 26 -7.241 -7.061 10.065 1.00 0.00 O ATOM 325 CB LEU A 26 -5.543 -7.890 12.964 1.00 0.00 C ATOM 326 CG LEU A 26 -4.931 -7.568 14.365 1.00 0.00 C ATOM 327 CD1 LEU A 26 -4.696 -6.090 14.589 1.00 0.00 C ATOM 328 CD2 LEU A 26 -5.714 -8.203 15.516 1.00 0.00 C ATOM 0 H LEU A 26 -7.579 -7.436 14.318 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.457 -6.039 12.259 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.839 -8.939 12.974 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.742 -7.792 12.231 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.947 -8.036 14.360 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.270 -5.935 15.580 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.006 -5.713 13.835 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.643 -5.556 14.514 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.242 -7.944 16.464 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.739 -7.831 15.508 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.720 -9.287 15.398 1.00 0.00 H new ATOM 340 N GLY A 27 -7.620 -8.958 11.196 1.00 0.00 N ATOM 341 CA GLY A 27 -8.084 -9.651 10.030 1.00 0.00 C ATOM 342 C GLY A 27 -7.093 -10.685 9.570 1.00 0.00 C ATOM 343 O GLY A 27 -7.391 -11.507 8.716 1.00 0.00 O ATOM 0 H GLY A 27 -7.624 -9.510 12.053 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.038 -10.132 10.247 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.263 -8.935 9.228 1.00 0.00 H new ATOM 347 N PHE A 28 -5.914 -10.653 10.129 1.00 0.00 N ATOM 348 CA PHE A 28 -4.903 -11.602 9.751 1.00 0.00 C ATOM 349 C PHE A 28 -4.606 -12.537 10.913 1.00 0.00 C ATOM 350 O PHE A 28 -4.793 -12.165 12.092 1.00 0.00 O ATOM 351 CB PHE A 28 -3.615 -10.903 9.239 1.00 0.00 C ATOM 352 CG PHE A 28 -2.831 -10.119 10.280 1.00 0.00 C ATOM 353 CD1 PHE A 28 -3.121 -8.798 10.550 1.00 0.00 C ATOM 354 CD2 PHE A 28 -1.795 -10.714 10.964 1.00 0.00 C ATOM 355 CE1 PHE A 28 -2.392 -8.083 11.479 1.00 0.00 C ATOM 356 CE2 PHE A 28 -1.063 -10.009 11.902 1.00 0.00 C ATOM 357 CZ PHE A 28 -1.367 -8.691 12.158 1.00 0.00 C ATOM 0 H PHE A 28 -5.631 -9.984 10.844 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.287 -12.193 8.919 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.958 -11.661 8.811 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.889 -10.225 8.431 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.932 -8.315 10.026 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.550 -11.747 10.765 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.628 -7.047 11.671 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.255 -10.491 12.432 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.800 -8.137 12.892 1.00 0.00 H new ATOM 367 N SER A 29 -4.190 -13.725 10.596 1.00 0.00 N ATOM 368 CA SER A 29 -3.845 -14.711 11.580 1.00 0.00 C ATOM 369 C SER A 29 -2.335 -14.864 11.606 1.00 0.00 C ATOM 370 O SER A 29 -1.719 -15.151 10.573 1.00 0.00 O ATOM 371 CB SER A 29 -4.523 -16.050 11.227 1.00 0.00 C ATOM 372 OG SER A 29 -4.251 -17.074 12.191 1.00 0.00 O ATOM 0 H SER A 29 -4.078 -14.044 9.633 1.00 0.00 H new ATOM 0 HA SER A 29 -4.191 -14.401 12.566 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.600 -15.900 11.155 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.181 -16.379 10.246 1.00 0.00 H new ATOM 0 HG SER A 29 -4.703 -17.902 11.925 1.00 0.00 H new ATOM 378 N VAL A 30 -1.748 -14.648 12.756 1.00 0.00 N ATOM 379 CA VAL A 30 -0.324 -14.782 12.934 1.00 0.00 C ATOM 380 C VAL A 30 0.033 -15.948 13.835 1.00 0.00 C ATOM 381 O VAL A 30 -0.565 -16.151 14.901 1.00 0.00 O ATOM 382 CB VAL A 30 0.342 -13.429 13.392 1.00 0.00 C ATOM 383 CG1 VAL A 30 1.499 -13.616 14.357 1.00 0.00 C ATOM 384 CG2 VAL A 30 0.873 -12.718 12.185 1.00 0.00 C ATOM 0 H VAL A 30 -2.248 -14.372 13.601 1.00 0.00 H new ATOM 0 HA VAL A 30 0.099 -15.016 11.957 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.434 -12.862 13.907 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.907 -12.643 14.628 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.146 -14.124 15.254 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.276 -14.216 13.882 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.336 -11.780 12.490 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.615 -13.345 11.690 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.055 -12.511 11.495 1.00 0.00 H new ATOM 394 N GLN A 31 0.958 -16.732 13.362 1.00 0.00 N ATOM 395 CA GLN A 31 1.494 -17.844 14.081 1.00 0.00 C ATOM 396 C GLN A 31 2.981 -17.764 14.004 1.00 0.00 C ATOM 397 O GLN A 31 3.532 -17.665 12.909 1.00 0.00 O ATOM 398 CB GLN A 31 1.046 -19.163 13.486 1.00 0.00 C ATOM 399 CG GLN A 31 -0.429 -19.447 13.592 1.00 0.00 C ATOM 400 CD GLN A 31 -0.756 -20.794 13.024 1.00 0.00 C ATOM 401 OE1 GLN A 31 -1.063 -20.933 11.840 1.00 0.00 O ATOM 402 NE2 GLN A 31 -0.627 -21.797 13.831 1.00 0.00 N ATOM 0 H GLN A 31 1.370 -16.609 12.437 1.00 0.00 H new ATOM 0 HA GLN A 31 1.139 -17.802 15.111 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.329 -19.183 12.433 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.591 -19.969 13.978 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.738 -19.404 14.636 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.991 -18.678 13.061 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.371 -21.638 14.805 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.781 -22.747 13.493 1.00 0.00 H new ATOM 411 N ASN A 32 3.632 -17.709 15.160 1.00 0.00 N ATOM 412 CA ASN A 32 5.110 -17.672 15.250 1.00 0.00 C ATOM 413 C ASN A 32 5.676 -16.380 14.687 1.00 0.00 C ATOM 414 O ASN A 32 6.880 -16.234 14.478 1.00 0.00 O ATOM 415 CB ASN A 32 5.734 -18.911 14.586 1.00 0.00 C ATOM 416 CG ASN A 32 5.552 -20.168 15.411 1.00 0.00 C ATOM 417 OD1 ASN A 32 5.534 -20.130 16.643 1.00 0.00 O ATOM 418 ND2 ASN A 32 5.374 -21.275 14.749 1.00 0.00 N ATOM 0 H ASN A 32 3.164 -17.688 16.066 1.00 0.00 H new ATOM 0 HA ASN A 32 5.378 -17.697 16.306 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.285 -19.057 13.604 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.798 -18.736 14.427 1.00 0.00 H new ATOM 0 HD21 ASN A 32 5.213 -22.149 15.250 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.395 -21.268 13.729 1.00 0.00 H new ATOM 425 N GLY A 33 4.796 -15.421 14.493 1.00 0.00 N ATOM 426 CA GLY A 33 5.182 -14.162 13.931 1.00 0.00 C ATOM 427 C GLY A 33 4.925 -14.123 12.445 1.00 0.00 C ATOM 428 O GLY A 33 5.071 -13.088 11.817 1.00 0.00 O ATOM 0 H GLY A 33 3.805 -15.499 14.721 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.630 -13.359 14.419 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.240 -13.984 14.124 1.00 0.00 H new ATOM 432 N ILE A 34 4.535 -15.244 11.877 1.00 0.00 N ATOM 433 CA ILE A 34 4.284 -15.300 10.461 1.00 0.00 C ATOM 434 C ILE A 34 2.788 -15.235 10.189 1.00 0.00 C ATOM 435 O ILE A 34 1.988 -15.941 10.822 1.00 0.00 O ATOM 436 CB ILE A 34 4.911 -16.556 9.725 1.00 0.00 C ATOM 437 CG1 ILE A 34 6.450 -16.643 9.872 1.00 0.00 C ATOM 438 CG2 ILE A 34 4.579 -16.506 8.241 1.00 0.00 C ATOM 439 CD1 ILE A 34 6.968 -17.066 11.231 1.00 0.00 C ATOM 0 H ILE A 34 4.387 -16.122 12.374 1.00 0.00 H new ATOM 0 HA ILE A 34 4.790 -14.429 10.044 1.00 0.00 H new ATOM 0 HB ILE A 34 4.476 -17.435 10.201 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.826 -17.345 9.128 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.873 -15.667 9.632 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.013 -17.372 7.742 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.497 -16.516 8.110 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.989 -15.594 7.807 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.058 -17.091 11.213 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.634 -16.354 11.986 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.586 -18.058 11.473 1.00 0.00 H new ATOM 451 N ILE A 35 2.429 -14.333 9.316 1.00 0.00 N ATOM 452 CA ILE A 35 1.083 -14.168 8.841 1.00 0.00 C ATOM 453 C ILE A 35 0.687 -15.392 8.016 1.00 0.00 C ATOM 454 O ILE A 35 1.224 -15.628 6.925 1.00 0.00 O ATOM 455 CB ILE A 35 1.003 -12.898 7.990 1.00 0.00 C ATOM 456 CG1 ILE A 35 1.469 -11.719 8.848 1.00 0.00 C ATOM 457 CG2 ILE A 35 -0.430 -12.680 7.492 1.00 0.00 C ATOM 458 CD1 ILE A 35 1.787 -10.484 8.082 1.00 0.00 C ATOM 0 H ILE A 35 3.087 -13.672 8.903 1.00 0.00 H new ATOM 0 HA ILE A 35 0.396 -14.073 9.682 1.00 0.00 H new ATOM 0 HB ILE A 35 1.644 -12.990 7.113 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.693 -11.489 9.578 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.354 -12.021 9.408 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.471 -11.773 6.888 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.739 -13.533 6.888 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.100 -12.579 8.346 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.108 -9.702 8.770 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.586 -10.693 7.371 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.900 -10.151 7.543 1.00 0.00 H new ATOM 470 N CYS A 36 -0.215 -16.155 8.553 1.00 0.00 N ATOM 471 CA CYS A 36 -0.643 -17.408 7.979 1.00 0.00 C ATOM 472 C CYS A 36 -1.908 -17.238 7.129 1.00 0.00 C ATOM 473 O CYS A 36 -2.144 -17.996 6.174 1.00 0.00 O ATOM 474 CB CYS A 36 -0.881 -18.412 9.125 1.00 0.00 C ATOM 475 SG CYS A 36 -1.538 -20.027 8.647 1.00 0.00 S ATOM 0 H CYS A 36 -0.690 -15.924 9.425 1.00 0.00 H new ATOM 0 HA CYS A 36 0.134 -17.781 7.312 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.064 -18.567 9.646 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.569 -17.960 9.839 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.528 -20.822 9.676 1.00 0.00 H new ATOM 481 N SER A 37 -2.720 -16.257 7.456 1.00 0.00 N ATOM 482 CA SER A 37 -3.971 -16.037 6.750 1.00 0.00 C ATOM 483 C SER A 37 -4.334 -14.555 6.777 1.00 0.00 C ATOM 484 O SER A 37 -3.829 -13.816 7.642 1.00 0.00 O ATOM 485 CB SER A 37 -5.078 -16.881 7.390 1.00 0.00 C ATOM 486 OG SER A 37 -4.734 -18.265 7.376 1.00 0.00 O ATOM 0 H SER A 37 -2.538 -15.594 8.210 1.00 0.00 H new ATOM 0 HA SER A 37 -3.859 -16.341 5.709 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.243 -16.553 8.416 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.014 -16.729 6.852 1.00 0.00 H new ATOM 0 HG SER A 37 -5.454 -18.785 7.791 1.00 0.00 H new ATOM 492 N LEU A 38 -5.185 -14.128 5.837 1.00 0.00 N ATOM 493 CA LEU A 38 -5.590 -12.733 5.712 1.00 0.00 C ATOM 494 C LEU A 38 -7.068 -12.616 5.308 1.00 0.00 C ATOM 495 O LEU A 38 -7.550 -13.349 4.433 1.00 0.00 O ATOM 496 CB LEU A 38 -4.704 -12.024 4.670 1.00 0.00 C ATOM 497 CG LEU A 38 -5.007 -10.549 4.378 1.00 0.00 C ATOM 498 CD1 LEU A 38 -4.886 -9.730 5.631 1.00 0.00 C ATOM 499 CD2 LEU A 38 -4.062 -10.010 3.333 1.00 0.00 C ATOM 0 H LEU A 38 -5.610 -14.744 5.144 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.466 -12.254 6.683 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.668 -12.097 5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.778 -12.576 3.733 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.028 -10.482 4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.104 -8.686 5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.594 -10.096 6.375 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.872 -9.812 6.023 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.293 -8.962 3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.036 -10.095 3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.173 -10.582 2.412 1.00 0.00 H new ATOM 511 N MET A 39 -7.775 -11.718 5.972 1.00 0.00 N ATOM 512 CA MET A 39 -9.162 -11.414 5.670 1.00 0.00 C ATOM 513 C MET A 39 -9.249 -10.437 4.516 1.00 0.00 C ATOM 514 O MET A 39 -8.726 -9.310 4.591 1.00 0.00 O ATOM 515 CB MET A 39 -9.882 -10.811 6.890 1.00 0.00 C ATOM 516 CG MET A 39 -11.308 -10.340 6.599 1.00 0.00 C ATOM 517 SD MET A 39 -12.096 -9.537 8.011 1.00 0.00 S ATOM 518 CE MET A 39 -13.662 -9.048 7.271 1.00 0.00 C ATOM 0 H MET A 39 -7.396 -11.173 6.746 1.00 0.00 H new ATOM 0 HA MET A 39 -9.649 -12.351 5.400 1.00 0.00 H new ATOM 0 HB2 MET A 39 -9.911 -11.555 7.686 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.300 -9.968 7.262 1.00 0.00 H new ATOM 0 HG2 MET A 39 -11.290 -9.646 5.759 1.00 0.00 H new ATOM 0 HG3 MET A 39 -11.911 -11.195 6.293 1.00 0.00 H new ATOM 0 HE1 MET A 39 -14.272 -8.535 8.015 1.00 0.00 H new ATOM 0 HE2 MET A 39 -13.474 -8.378 6.432 1.00 0.00 H new ATOM 0 HE3 MET A 39 -14.190 -9.934 6.917 1.00 0.00 H new ATOM 528 N ARG A 40 -9.929 -10.850 3.485 1.00 0.00 N ATOM 529 CA ARG A 40 -10.146 -10.033 2.319 1.00 0.00 C ATOM 530 C ARG A 40 -11.181 -8.992 2.710 1.00 0.00 C ATOM 531 O ARG A 40 -12.274 -9.341 3.166 1.00 0.00 O ATOM 532 CB ARG A 40 -10.659 -10.939 1.176 1.00 0.00 C ATOM 533 CG ARG A 40 -10.704 -10.334 -0.240 1.00 0.00 C ATOM 534 CD ARG A 40 -11.774 -9.264 -0.421 1.00 0.00 C ATOM 535 NE ARG A 40 -13.117 -9.738 -0.035 1.00 0.00 N ATOM 536 CZ ARG A 40 -14.179 -9.815 -0.858 1.00 0.00 C ATOM 537 NH1 ARG A 40 -14.023 -9.723 -2.176 1.00 0.00 N ATOM 538 NH2 ARG A 40 -15.371 -10.076 -0.355 1.00 0.00 N ATOM 0 H ARG A 40 -10.355 -11.775 3.427 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.237 -9.540 1.974 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.030 -11.829 1.143 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.665 -11.270 1.434 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.730 -9.903 -0.471 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.878 -11.133 -0.961 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.515 -8.390 0.177 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.791 -8.944 -1.463 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.251 -10.031 0.933 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.092 -9.593 -2.571 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.835 -9.783 -2.791 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -15.481 -10.217 0.649 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -16.182 -10.136 -0.970 1.00 0.00 H new ATOM 552 N GLY A 41 -10.837 -7.743 2.568 1.00 0.00 N ATOM 553 CA GLY A 41 -11.721 -6.681 2.959 1.00 0.00 C ATOM 554 C GLY A 41 -11.451 -6.225 4.375 1.00 0.00 C ATOM 555 O GLY A 41 -12.059 -5.270 4.864 1.00 0.00 O ATOM 0 H GLY A 41 -9.945 -7.434 2.182 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.604 -5.839 2.276 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.754 -7.018 2.875 1.00 0.00 H new ATOM 559 N GLY A 42 -10.527 -6.890 5.036 1.00 0.00 N ATOM 560 CA GLY A 42 -10.196 -6.537 6.392 1.00 0.00 C ATOM 561 C GLY A 42 -9.208 -5.401 6.417 1.00 0.00 C ATOM 562 O GLY A 42 -8.680 -5.014 5.353 1.00 0.00 O ATOM 0 H GLY A 42 -9.997 -7.673 4.655 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.100 -6.252 6.930 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.777 -7.402 6.907 1.00 0.00 H new ATOM 566 N ILE A 43 -8.960 -4.838 7.588 1.00 0.00 N ATOM 567 CA ILE A 43 -7.977 -3.759 7.699 1.00 0.00 C ATOM 568 C ILE A 43 -6.605 -4.217 7.336 1.00 0.00 C ATOM 569 O ILE A 43 -5.883 -3.495 6.701 1.00 0.00 O ATOM 570 CB ILE A 43 -7.920 -3.015 9.068 1.00 0.00 C ATOM 571 CG1 ILE A 43 -8.231 -3.923 10.259 1.00 0.00 C ATOM 572 CG2 ILE A 43 -8.748 -1.747 9.065 1.00 0.00 C ATOM 573 CD1 ILE A 43 -8.066 -3.247 11.612 1.00 0.00 C ATOM 0 H ILE A 43 -9.413 -5.100 8.464 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.344 -3.028 6.979 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.883 -2.707 9.202 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.255 -4.286 10.168 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.578 -4.795 10.218 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.677 -1.264 10.040 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.374 -1.070 8.296 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.789 -1.993 8.857 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.305 -3.956 12.405 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.036 -2.908 11.726 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.739 -2.392 11.676 1.00 0.00 H new ATOM 585 N ALA A 44 -6.270 -5.438 7.703 1.00 0.00 N ATOM 586 CA ALA A 44 -4.958 -6.002 7.444 1.00 0.00 C ATOM 587 C ALA A 44 -4.581 -5.954 5.965 1.00 0.00 C ATOM 588 O ALA A 44 -3.487 -5.525 5.617 1.00 0.00 O ATOM 589 CB ALA A 44 -4.914 -7.399 7.975 1.00 0.00 C ATOM 0 H ALA A 44 -6.903 -6.071 8.192 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.215 -5.393 7.959 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.931 -7.830 7.784 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.103 -7.386 9.048 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.676 -8.001 7.480 1.00 0.00 H new ATOM 595 N GLU A 45 -5.510 -6.336 5.112 1.00 0.00 N ATOM 596 CA GLU A 45 -5.303 -6.321 3.670 1.00 0.00 C ATOM 597 C GLU A 45 -5.064 -4.884 3.191 1.00 0.00 C ATOM 598 O GLU A 45 -4.144 -4.607 2.420 1.00 0.00 O ATOM 599 CB GLU A 45 -6.527 -6.920 2.986 1.00 0.00 C ATOM 600 CG GLU A 45 -6.472 -6.928 1.476 1.00 0.00 C ATOM 601 CD GLU A 45 -7.715 -7.507 0.880 1.00 0.00 C ATOM 602 OE1 GLU A 45 -8.798 -6.918 1.065 1.00 0.00 O ATOM 603 OE2 GLU A 45 -7.640 -8.542 0.192 1.00 0.00 O ATOM 0 H GLU A 45 -6.432 -6.667 5.395 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.425 -6.915 3.415 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.656 -7.944 3.336 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.410 -6.363 3.300 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.334 -5.910 1.112 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.608 -7.505 1.146 1.00 0.00 H new ATOM 610 N ARG A 46 -5.857 -3.983 3.717 1.00 0.00 N ATOM 611 CA ARG A 46 -5.786 -2.567 3.380 1.00 0.00 C ATOM 612 C ARG A 46 -4.556 -1.889 4.015 1.00 0.00 C ATOM 613 O ARG A 46 -4.108 -0.824 3.571 1.00 0.00 O ATOM 614 CB ARG A 46 -7.099 -1.884 3.785 1.00 0.00 C ATOM 615 CG ARG A 46 -8.274 -2.295 2.901 1.00 0.00 C ATOM 616 CD ARG A 46 -9.604 -1.753 3.402 1.00 0.00 C ATOM 617 NE ARG A 46 -10.150 -2.510 4.554 1.00 0.00 N ATOM 618 CZ ARG A 46 -10.998 -2.000 5.475 1.00 0.00 C ATOM 619 NH1 ARG A 46 -11.163 -0.690 5.580 1.00 0.00 N ATOM 620 NH2 ARG A 46 -11.649 -2.809 6.302 1.00 0.00 N ATOM 0 H ARG A 46 -6.581 -4.206 4.400 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.660 -2.464 2.302 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.327 -2.130 4.822 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.972 -0.803 3.734 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.101 -1.939 1.885 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.324 -3.383 2.854 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.478 -0.709 3.689 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.327 -1.774 2.587 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.866 -3.484 4.659 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.649 -0.060 4.964 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.804 -0.311 6.277 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.510 -3.818 6.243 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.288 -2.422 6.996 1.00 0.00 H new ATOM 634 N GLY A 47 -4.024 -2.514 5.044 1.00 0.00 N ATOM 635 CA GLY A 47 -2.834 -2.032 5.698 1.00 0.00 C ATOM 636 C GLY A 47 -1.574 -2.536 5.025 1.00 0.00 C ATOM 637 O GLY A 47 -0.494 -1.974 5.221 1.00 0.00 O ATOM 0 H GLY A 47 -4.406 -3.369 5.448 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.835 -0.942 5.696 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.840 -2.349 6.741 1.00 0.00 H new ATOM 641 N GLY A 48 -1.699 -3.600 4.243 1.00 0.00 N ATOM 642 CA GLY A 48 -0.552 -4.116 3.522 1.00 0.00 C ATOM 643 C GLY A 48 0.014 -5.365 4.156 1.00 0.00 C ATOM 644 O GLY A 48 1.139 -5.776 3.859 1.00 0.00 O ATOM 0 H GLY A 48 -2.568 -4.112 4.095 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.841 -4.333 2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.222 -3.350 3.481 1.00 0.00 H new ATOM 648 N VAL A 49 -0.760 -5.967 5.026 1.00 0.00 N ATOM 649 CA VAL A 49 -0.379 -7.182 5.696 1.00 0.00 C ATOM 650 C VAL A 49 -0.517 -8.314 4.698 1.00 0.00 C ATOM 651 O VAL A 49 -1.570 -8.490 4.132 1.00 0.00 O ATOM 652 CB VAL A 49 -1.335 -7.435 6.882 1.00 0.00 C ATOM 653 CG1 VAL A 49 -1.112 -8.771 7.518 1.00 0.00 C ATOM 654 CG2 VAL A 49 -1.219 -6.356 7.924 1.00 0.00 C ATOM 0 H VAL A 49 -1.683 -5.621 5.290 1.00 0.00 H new ATOM 0 HA VAL A 49 0.643 -7.112 6.069 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.342 -7.421 6.465 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.809 -8.900 8.346 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.275 -9.557 6.780 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.090 -8.830 7.891 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.906 -6.566 8.744 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.198 -6.326 8.305 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.469 -5.393 7.480 1.00 0.00 H new ATOM 664 N ARG A 50 0.543 -9.046 4.450 1.00 0.00 N ATOM 665 CA ARG A 50 0.480 -10.126 3.485 1.00 0.00 C ATOM 666 C ARG A 50 0.858 -11.403 4.117 1.00 0.00 C ATOM 667 O ARG A 50 1.679 -11.446 5.029 1.00 0.00 O ATOM 668 CB ARG A 50 1.370 -9.880 2.265 1.00 0.00 C ATOM 669 CG ARG A 50 1.135 -8.562 1.561 1.00 0.00 C ATOM 670 CD ARG A 50 -0.319 -8.320 1.180 1.00 0.00 C ATOM 671 NE ARG A 50 -0.892 -9.328 0.273 1.00 0.00 N ATOM 672 CZ ARG A 50 -1.582 -9.010 -0.830 1.00 0.00 C ATOM 673 NH1 ARG A 50 -1.439 -7.801 -1.369 1.00 0.00 N ATOM 674 NH2 ARG A 50 -2.353 -9.921 -1.436 1.00 0.00 N ATOM 0 H ARG A 50 1.452 -8.919 4.896 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.552 -10.172 3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.413 -9.927 2.579 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.215 -10.689 1.551 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.472 -7.751 2.207 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.748 -8.528 0.660 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.918 -8.287 2.090 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.399 -7.340 0.710 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.757 -10.314 0.495 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.807 -7.124 -0.942 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.961 -7.552 -2.209 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.419 -10.866 -1.058 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.875 -9.670 -2.276 1.00 0.00 H new ATOM 688 N VAL A 51 0.306 -12.423 3.594 1.00 0.00 N ATOM 689 CA VAL A 51 0.476 -13.749 4.080 1.00 0.00 C ATOM 690 C VAL A 51 1.819 -14.287 3.620 1.00 0.00 C ATOM 691 O VAL A 51 2.272 -14.006 2.494 1.00 0.00 O ATOM 692 CB VAL A 51 -0.689 -14.616 3.591 1.00 0.00 C ATOM 693 CG1 VAL A 51 -0.517 -16.078 3.949 1.00 0.00 C ATOM 694 CG2 VAL A 51 -1.970 -14.108 4.180 1.00 0.00 C ATOM 0 H VAL A 51 -0.305 -12.365 2.780 1.00 0.00 H new ATOM 0 HA VAL A 51 0.471 -13.763 5.170 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.711 -14.547 2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.370 -16.646 3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.397 -16.459 3.494 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.454 -16.182 5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.800 -14.724 3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.914 -14.154 5.268 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.129 -13.076 3.869 1.00 0.00 H new ATOM 704 N GLY A 52 2.465 -15.019 4.489 1.00 0.00 N ATOM 705 CA GLY A 52 3.788 -15.495 4.206 1.00 0.00 C ATOM 706 C GLY A 52 4.790 -14.428 4.523 1.00 0.00 C ATOM 707 O GLY A 52 5.820 -14.292 3.866 1.00 0.00 O ATOM 0 H GLY A 52 2.094 -15.297 5.398 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.996 -16.389 4.794 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.865 -15.779 3.157 1.00 0.00 H new ATOM 711 N HIS A 53 4.443 -13.621 5.484 1.00 0.00 N ATOM 712 CA HIS A 53 5.285 -12.567 5.962 1.00 0.00 C ATOM 713 C HIS A 53 5.516 -12.726 7.438 1.00 0.00 C ATOM 714 O HIS A 53 4.584 -12.988 8.188 1.00 0.00 O ATOM 715 CB HIS A 53 4.684 -11.180 5.691 1.00 0.00 C ATOM 716 CG HIS A 53 4.954 -10.588 4.340 1.00 0.00 C ATOM 717 ND1 HIS A 53 5.251 -9.247 4.153 1.00 0.00 N ATOM 718 CD2 HIS A 53 4.957 -11.140 3.108 1.00 0.00 C ATOM 719 CE1 HIS A 53 5.420 -9.018 2.869 1.00 0.00 C ATOM 720 NE2 HIS A 53 5.251 -10.146 2.215 1.00 0.00 N ATOM 0 H HIS A 53 3.546 -13.680 5.967 1.00 0.00 H new ATOM 0 HA HIS A 53 6.229 -12.637 5.422 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.604 -11.243 5.827 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.060 -10.491 6.447 1.00 0.00 H new ATOM 0 HD1 HIS A 53 5.326 -8.549 4.893 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.763 -12.176 2.871 1.00 0.00 H new ATOM 0 HE1 HIS A 53 5.658 -8.062 2.426 1.00 0.00 H new ATOM 729 N ARG A 54 6.744 -12.569 7.847 1.00 0.00 N ATOM 730 CA ARG A 54 7.093 -12.643 9.240 1.00 0.00 C ATOM 731 C ARG A 54 7.174 -11.252 9.776 1.00 0.00 C ATOM 732 O ARG A 54 7.874 -10.413 9.205 1.00 0.00 O ATOM 733 CB ARG A 54 8.426 -13.383 9.462 1.00 0.00 C ATOM 734 CG ARG A 54 8.875 -13.417 10.924 1.00 0.00 C ATOM 735 CD ARG A 54 10.095 -14.305 11.147 1.00 0.00 C ATOM 736 NE ARG A 54 11.278 -13.895 10.367 1.00 0.00 N ATOM 737 CZ ARG A 54 12.532 -13.835 10.852 1.00 0.00 C ATOM 738 NH1 ARG A 54 12.765 -14.006 12.160 1.00 0.00 N ATOM 739 NH2 ARG A 54 13.540 -13.604 10.030 1.00 0.00 N ATOM 0 H ARG A 54 7.532 -12.386 7.225 1.00 0.00 H new ATOM 0 HA ARG A 54 6.327 -13.212 9.767 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.329 -14.406 9.097 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.201 -12.904 8.864 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.104 -12.403 11.253 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.053 -13.775 11.544 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.349 -14.298 12.207 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.838 -15.332 10.888 1.00 0.00 H new ATOM 0 HE ARG A 54 11.135 -13.639 9.390 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.989 -14.183 12.797 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.719 -13.959 12.519 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.366 -13.472 9.034 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.493 -13.557 10.392 1.00 0.00 H new ATOM 753 N ILE A 55 6.426 -10.991 10.794 1.00 0.00 N ATOM 754 CA ILE A 55 6.435 -9.709 11.433 1.00 0.00 C ATOM 755 C ILE A 55 7.634 -9.599 12.338 1.00 0.00 C ATOM 756 O ILE A 55 7.880 -10.474 13.169 1.00 0.00 O ATOM 757 CB ILE A 55 5.170 -9.470 12.257 1.00 0.00 C ATOM 758 CG1 ILE A 55 3.939 -9.641 11.378 1.00 0.00 C ATOM 759 CG2 ILE A 55 5.198 -8.078 12.888 1.00 0.00 C ATOM 760 CD1 ILE A 55 2.677 -9.310 12.079 1.00 0.00 C ATOM 0 H ILE A 55 5.784 -11.664 11.213 1.00 0.00 H new ATOM 0 HA ILE A 55 6.478 -8.955 10.647 1.00 0.00 H new ATOM 0 HB ILE A 55 5.127 -10.204 13.062 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.037 -9.006 10.498 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.892 -10.671 11.024 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.290 -7.924 13.471 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.067 -7.992 13.540 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.257 -7.324 12.103 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.836 -9.451 11.400 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.559 -9.963 12.944 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.706 -8.272 12.409 1.00 0.00 H new ATOM 772 N ILE A 56 8.387 -8.557 12.154 1.00 0.00 N ATOM 773 CA ILE A 56 9.540 -8.337 12.949 1.00 0.00 C ATOM 774 C ILE A 56 9.383 -7.172 13.905 1.00 0.00 C ATOM 775 O ILE A 56 10.139 -7.046 14.878 1.00 0.00 O ATOM 776 CB ILE A 56 10.822 -8.215 12.125 1.00 0.00 C ATOM 777 CG1 ILE A 56 10.778 -6.993 11.239 1.00 0.00 C ATOM 778 CG2 ILE A 56 11.021 -9.476 11.282 1.00 0.00 C ATOM 779 CD1 ILE A 56 12.059 -6.763 10.537 1.00 0.00 C ATOM 0 H ILE A 56 8.214 -7.841 11.448 1.00 0.00 H new ATOM 0 HA ILE A 56 9.642 -9.236 13.557 1.00 0.00 H new ATOM 0 HB ILE A 56 11.664 -8.107 12.809 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.980 -7.107 10.506 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.534 -6.118 11.842 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.936 -9.382 10.697 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.096 -10.344 11.937 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.172 -9.602 10.610 1.00 0.00 H new ATOM 0 HD11 ILE A 56 11.977 -5.873 9.913 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.854 -6.621 11.269 1.00 0.00 H new ATOM 0 HD13 ILE A 56 12.291 -7.625 9.912 1.00 0.00 H new ATOM 791 N GLU A 57 8.373 -6.365 13.695 1.00 0.00 N ATOM 792 CA GLU A 57 8.213 -5.174 14.510 1.00 0.00 C ATOM 793 C GLU A 57 6.797 -4.737 14.467 1.00 0.00 C ATOM 794 O GLU A 57 6.154 -4.877 13.446 1.00 0.00 O ATOM 795 CB GLU A 57 9.126 -4.057 13.992 1.00 0.00 C ATOM 796 CG GLU A 57 9.055 -2.744 14.751 1.00 0.00 C ATOM 797 CD GLU A 57 9.925 -1.694 14.129 1.00 0.00 C ATOM 798 OE1 GLU A 57 11.146 -1.705 14.363 1.00 0.00 O ATOM 799 OE2 GLU A 57 9.407 -0.856 13.374 1.00 0.00 O ATOM 0 H GLU A 57 7.658 -6.502 12.981 1.00 0.00 H new ATOM 0 HA GLU A 57 8.490 -5.399 15.540 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.156 -4.414 14.016 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.879 -3.866 12.948 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.023 -2.394 14.775 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.362 -2.905 15.785 1.00 0.00 H new ATOM 806 N ILE A 58 6.315 -4.253 15.577 1.00 0.00 N ATOM 807 CA ILE A 58 4.974 -3.747 15.708 1.00 0.00 C ATOM 808 C ILE A 58 5.045 -2.488 16.516 1.00 0.00 C ATOM 809 O ILE A 58 5.714 -2.466 17.543 1.00 0.00 O ATOM 810 CB ILE A 58 4.065 -4.734 16.473 1.00 0.00 C ATOM 811 CG1 ILE A 58 3.948 -6.055 15.730 1.00 0.00 C ATOM 812 CG2 ILE A 58 2.667 -4.120 16.686 1.00 0.00 C ATOM 813 CD1 ILE A 58 3.457 -7.182 16.591 1.00 0.00 C ATOM 0 H ILE A 58 6.857 -4.197 16.439 1.00 0.00 H new ATOM 0 HA ILE A 58 4.562 -3.589 14.712 1.00 0.00 H new ATOM 0 HB ILE A 58 4.519 -4.927 17.445 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.269 -5.930 14.886 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.922 -6.320 15.319 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.038 -4.827 17.226 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.758 -3.200 17.264 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.216 -3.898 15.719 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.397 -8.094 15.997 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.148 -7.334 17.421 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.469 -6.938 16.981 1.00 0.00 H new ATOM 825 N ASN A 59 4.466 -1.426 15.997 1.00 0.00 N ATOM 826 CA ASN A 59 4.289 -0.136 16.694 1.00 0.00 C ATOM 827 C ASN A 59 5.610 0.644 16.892 1.00 0.00 C ATOM 828 O ASN A 59 5.604 1.858 17.099 1.00 0.00 O ATOM 829 CB ASN A 59 3.566 -0.348 18.036 1.00 0.00 C ATOM 830 CG ASN A 59 3.150 0.940 18.692 1.00 0.00 C ATOM 831 OD1 ASN A 59 3.891 1.529 19.481 1.00 0.00 O ATOM 832 ND2 ASN A 59 1.953 1.361 18.404 1.00 0.00 N ATOM 0 H ASN A 59 4.088 -1.420 15.050 1.00 0.00 H new ATOM 0 HA ASN A 59 3.671 0.486 16.046 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.684 -0.967 17.873 1.00 0.00 H new ATOM 0 HB3 ASN A 59 4.221 -0.898 18.712 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.593 2.211 18.838 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.374 0.841 17.745 1.00 0.00 H new ATOM 839 N GLY A 60 6.709 -0.040 16.788 1.00 0.00 N ATOM 840 CA GLY A 60 7.996 0.555 17.016 1.00 0.00 C ATOM 841 C GLY A 60 8.824 -0.285 17.963 1.00 0.00 C ATOM 842 O GLY A 60 9.880 0.153 18.443 1.00 0.00 O ATOM 0 H GLY A 60 6.741 -1.029 16.542 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.522 0.665 16.068 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.869 1.556 17.429 1.00 0.00 H new ATOM 846 N GLN A 61 8.328 -1.470 18.277 1.00 0.00 N ATOM 847 CA GLN A 61 9.048 -2.403 19.098 1.00 0.00 C ATOM 848 C GLN A 61 9.312 -3.663 18.322 1.00 0.00 C ATOM 849 O GLN A 61 8.452 -4.123 17.549 1.00 0.00 O ATOM 850 CB GLN A 61 8.339 -2.683 20.438 1.00 0.00 C ATOM 851 CG GLN A 61 6.947 -3.279 20.337 1.00 0.00 C ATOM 852 CD GLN A 61 6.380 -3.606 21.696 1.00 0.00 C ATOM 853 OE1 GLN A 61 6.557 -4.715 22.209 1.00 0.00 O ATOM 854 NE2 GLN A 61 5.715 -2.665 22.297 1.00 0.00 N ATOM 0 H GLN A 61 7.416 -1.803 17.966 1.00 0.00 H new ATOM 0 HA GLN A 61 10.004 -1.952 19.364 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.962 -3.360 21.022 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.274 -1.748 20.995 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.287 -2.578 19.827 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.982 -4.184 19.730 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.588 -1.760 21.843 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.320 -2.831 23.223 1.00 0.00 H new ATOM 863 N SER A 62 10.492 -4.199 18.496 1.00 0.00 N ATOM 864 CA SER A 62 10.908 -5.369 17.789 1.00 0.00 C ATOM 865 C SER A 62 10.249 -6.560 18.442 1.00 0.00 C ATOM 866 O SER A 62 10.595 -6.942 19.553 1.00 0.00 O ATOM 867 CB SER A 62 12.442 -5.493 17.851 1.00 0.00 C ATOM 868 OG SER A 62 12.933 -6.517 16.991 1.00 0.00 O ATOM 0 H SER A 62 11.192 -3.829 19.139 1.00 0.00 H new ATOM 0 HA SER A 62 10.617 -5.314 16.740 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.894 -4.540 17.574 1.00 0.00 H new ATOM 0 HB3 SER A 62 12.747 -5.704 18.876 1.00 0.00 H new ATOM 0 HG SER A 62 13.659 -7.000 17.439 1.00 0.00 H new ATOM 874 N VAL A 63 9.287 -7.140 17.775 1.00 0.00 N ATOM 875 CA VAL A 63 8.560 -8.211 18.345 1.00 0.00 C ATOM 876 C VAL A 63 9.066 -9.506 17.790 1.00 0.00 C ATOM 877 O VAL A 63 8.550 -10.568 18.066 1.00 0.00 O ATOM 878 CB VAL A 63 7.067 -8.033 18.095 1.00 0.00 C ATOM 879 CG1 VAL A 63 6.623 -6.677 18.667 1.00 0.00 C ATOM 880 CG2 VAL A 63 6.773 -8.136 16.605 1.00 0.00 C ATOM 0 H VAL A 63 8.998 -6.878 16.833 1.00 0.00 H new ATOM 0 HA VAL A 63 8.707 -8.221 19.425 1.00 0.00 H new ATOM 0 HB VAL A 63 6.505 -8.821 18.595 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.556 -6.541 18.493 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.822 -6.651 19.738 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.176 -5.876 18.176 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.704 -8.008 16.435 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.321 -7.359 16.071 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.083 -9.115 16.240 1.00 0.00 H new ATOM 890 N VAL A 64 10.144 -9.403 17.067 1.00 0.00 N ATOM 891 CA VAL A 64 10.771 -10.538 16.480 1.00 0.00 C ATOM 892 C VAL A 64 11.521 -11.327 17.577 1.00 0.00 C ATOM 893 O VAL A 64 11.942 -12.469 17.386 1.00 0.00 O ATOM 894 CB VAL A 64 11.716 -10.091 15.350 1.00 0.00 C ATOM 895 CG1 VAL A 64 13.074 -9.632 15.842 1.00 0.00 C ATOM 896 CG2 VAL A 64 11.790 -11.120 14.260 1.00 0.00 C ATOM 0 H VAL A 64 10.612 -8.518 16.870 1.00 0.00 H new ATOM 0 HA VAL A 64 10.022 -11.195 16.038 1.00 0.00 H new ATOM 0 HB VAL A 64 11.276 -9.197 14.908 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.687 -9.332 14.992 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.949 -8.785 16.516 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.564 -10.449 16.372 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.465 -10.773 13.478 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.162 -12.059 14.671 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.797 -11.276 13.839 1.00 0.00 H new ATOM 906 N ALA A 65 11.647 -10.690 18.723 1.00 0.00 N ATOM 907 CA ALA A 65 12.276 -11.249 19.888 1.00 0.00 C ATOM 908 C ALA A 65 11.227 -11.398 20.988 1.00 0.00 C ATOM 909 O ALA A 65 11.545 -11.597 22.164 1.00 0.00 O ATOM 910 CB ALA A 65 13.379 -10.322 20.330 1.00 0.00 C ATOM 0 H ALA A 65 11.302 -9.741 18.867 1.00 0.00 H new ATOM 0 HA ALA A 65 12.700 -12.229 19.669 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.867 -10.732 21.214 1.00 0.00 H new ATOM 0 HB2 ALA A 65 14.110 -10.218 19.528 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.959 -9.345 20.568 1.00 0.00 H new ATOM 916 N THR A 66 9.992 -11.293 20.590 1.00 0.00 N ATOM 917 CA THR A 66 8.871 -11.404 21.436 1.00 0.00 C ATOM 918 C THR A 66 8.258 -12.795 21.223 1.00 0.00 C ATOM 919 O THR A 66 8.263 -13.294 20.086 1.00 0.00 O ATOM 920 CB THR A 66 7.886 -10.276 21.038 1.00 0.00 C ATOM 921 OG1 THR A 66 8.505 -9.004 21.271 1.00 0.00 O ATOM 922 CG2 THR A 66 6.583 -10.334 21.776 1.00 0.00 C ATOM 0 H THR A 66 9.743 -11.119 19.616 1.00 0.00 H new ATOM 0 HA THR A 66 9.124 -11.299 22.491 1.00 0.00 H new ATOM 0 HB THR A 66 7.657 -10.416 19.982 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.823 -8.300 21.251 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.942 -9.515 21.448 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.091 -11.285 21.571 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.767 -10.244 22.847 1.00 0.00 H new ATOM 930 N PRO A 67 7.827 -13.482 22.312 1.00 0.00 N ATOM 931 CA PRO A 67 7.158 -14.783 22.217 1.00 0.00 C ATOM 932 C PRO A 67 6.019 -14.733 21.200 1.00 0.00 C ATOM 933 O PRO A 67 5.296 -13.729 21.123 1.00 0.00 O ATOM 934 CB PRO A 67 6.594 -15.004 23.621 1.00 0.00 C ATOM 935 CG PRO A 67 7.469 -14.209 24.520 1.00 0.00 C ATOM 936 CD PRO A 67 7.992 -13.053 23.711 1.00 0.00 C ATOM 0 HA PRO A 67 7.831 -15.576 21.892 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.558 -14.673 23.686 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.609 -16.060 23.890 1.00 0.00 H new ATOM 0 HG2 PRO A 67 6.911 -13.853 25.386 1.00 0.00 H new ATOM 0 HG3 PRO A 67 8.290 -14.818 24.898 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.433 -12.140 23.915 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.037 -12.846 23.943 1.00 0.00 H new ATOM 944 N HIS A 68 5.877 -15.792 20.422 1.00 0.00 N ATOM 945 CA HIS A 68 4.877 -15.859 19.350 1.00 0.00 C ATOM 946 C HIS A 68 3.472 -15.506 19.819 1.00 0.00 C ATOM 947 O HIS A 68 2.756 -14.770 19.143 1.00 0.00 O ATOM 948 CB HIS A 68 4.890 -17.218 18.607 1.00 0.00 C ATOM 949 CG HIS A 68 4.547 -18.458 19.407 1.00 0.00 C ATOM 950 ND1 HIS A 68 3.251 -18.925 19.586 1.00 0.00 N ATOM 951 CD2 HIS A 68 5.345 -19.346 20.039 1.00 0.00 C ATOM 952 CE1 HIS A 68 3.285 -20.038 20.289 1.00 0.00 C ATOM 953 NE2 HIS A 68 4.535 -20.314 20.574 1.00 0.00 N ATOM 0 H HIS A 68 6.447 -16.633 20.509 1.00 0.00 H new ATOM 0 HA HIS A 68 5.175 -15.092 18.635 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.191 -17.152 17.773 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.883 -17.358 18.180 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.422 -19.302 20.110 1.00 0.00 H new ATOM 0 HE1 HIS A 68 2.427 -20.625 20.582 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.854 -21.121 21.109 1.00 0.00 H new ATOM 962 N GLU A 69 3.093 -16.007 20.971 1.00 0.00 N ATOM 963 CA GLU A 69 1.789 -15.746 21.509 1.00 0.00 C ATOM 964 C GLU A 69 1.664 -14.290 21.931 1.00 0.00 C ATOM 965 O GLU A 69 0.602 -13.674 21.756 1.00 0.00 O ATOM 966 CB GLU A 69 1.511 -16.643 22.675 1.00 0.00 C ATOM 967 CG GLU A 69 0.096 -16.558 23.155 1.00 0.00 C ATOM 968 CD GLU A 69 -0.142 -17.391 24.361 1.00 0.00 C ATOM 969 OE1 GLU A 69 -0.153 -18.616 24.237 1.00 0.00 O ATOM 970 OE2 GLU A 69 -0.339 -16.830 25.463 1.00 0.00 O ATOM 0 H GLU A 69 3.680 -16.603 21.555 1.00 0.00 H new ATOM 0 HA GLU A 69 1.055 -15.948 20.729 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.732 -17.673 22.395 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.183 -16.384 23.494 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.147 -15.520 23.380 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.575 -16.877 22.358 1.00 0.00 H new ATOM 977 N LYS A 70 2.752 -13.741 22.482 1.00 0.00 N ATOM 978 CA LYS A 70 2.777 -12.369 22.918 1.00 0.00 C ATOM 979 C LYS A 70 2.508 -11.464 21.763 1.00 0.00 C ATOM 980 O LYS A 70 1.712 -10.560 21.878 1.00 0.00 O ATOM 981 CB LYS A 70 4.104 -11.981 23.520 1.00 0.00 C ATOM 982 CG LYS A 70 3.987 -11.467 24.924 1.00 0.00 C ATOM 983 CD LYS A 70 5.226 -10.708 25.312 1.00 0.00 C ATOM 984 CE LYS A 70 5.193 -10.288 26.754 1.00 0.00 C ATOM 985 NZ LYS A 70 4.022 -9.457 27.101 1.00 0.00 N ATOM 0 H LYS A 70 3.627 -14.244 22.631 1.00 0.00 H new ATOM 0 HA LYS A 70 2.007 -12.269 23.683 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.767 -12.846 23.511 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.569 -11.216 22.897 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.115 -10.819 25.009 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.833 -12.299 25.611 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.104 -11.329 25.134 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.326 -9.827 24.679 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.196 -11.178 27.383 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.103 -9.733 26.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.122 -9.105 28.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.962 -8.651 26.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.156 -10.029 27.027 1.00 0.00 H new ATOM 999 N ILE A 71 3.157 -11.744 20.638 1.00 0.00 N ATOM 1000 CA ILE A 71 2.984 -10.972 19.405 1.00 0.00 C ATOM 1001 C ILE A 71 1.494 -10.866 19.065 1.00 0.00 C ATOM 1002 O ILE A 71 0.974 -9.780 18.796 1.00 0.00 O ATOM 1003 CB ILE A 71 3.746 -11.648 18.229 1.00 0.00 C ATOM 1004 CG1 ILE A 71 5.234 -11.758 18.572 1.00 0.00 C ATOM 1005 CG2 ILE A 71 3.555 -10.875 16.928 1.00 0.00 C ATOM 1006 CD1 ILE A 71 6.074 -12.438 17.517 1.00 0.00 C ATOM 0 H ILE A 71 3.820 -12.514 20.552 1.00 0.00 H new ATOM 0 HA ILE A 71 3.392 -9.973 19.557 1.00 0.00 H new ATOM 0 HB ILE A 71 3.336 -12.647 18.083 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.629 -10.757 18.742 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.338 -12.305 19.509 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.100 -11.373 16.126 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.495 -10.839 16.679 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.934 -9.860 17.049 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.113 -12.471 17.845 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.710 -13.454 17.361 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.006 -11.881 16.583 1.00 0.00 H new ATOM 1018 N VAL A 72 0.812 -11.987 19.186 1.00 0.00 N ATOM 1019 CA VAL A 72 -0.604 -12.073 18.915 1.00 0.00 C ATOM 1020 C VAL A 72 -1.404 -11.270 19.950 1.00 0.00 C ATOM 1021 O VAL A 72 -2.392 -10.612 19.609 1.00 0.00 O ATOM 1022 CB VAL A 72 -1.062 -13.559 18.915 1.00 0.00 C ATOM 1023 CG1 VAL A 72 -2.566 -13.691 18.727 1.00 0.00 C ATOM 1024 CG2 VAL A 72 -0.339 -14.314 17.825 1.00 0.00 C ATOM 0 H VAL A 72 1.231 -12.870 19.478 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.792 -11.647 17.930 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.814 -13.984 19.888 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.842 -14.745 18.733 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.081 -13.176 19.538 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.854 -13.246 17.775 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.662 -15.355 17.828 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.568 -13.865 16.858 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.736 -14.267 18.001 1.00 0.00 H new ATOM 1034 N HIS A 73 -0.927 -11.259 21.179 1.00 0.00 N ATOM 1035 CA HIS A 73 -1.632 -10.615 22.283 1.00 0.00 C ATOM 1036 C HIS A 73 -1.484 -9.103 22.132 1.00 0.00 C ATOM 1037 O HIS A 73 -2.424 -8.338 22.358 1.00 0.00 O ATOM 1038 CB HIS A 73 -1.036 -11.081 23.630 1.00 0.00 C ATOM 1039 CG HIS A 73 -1.917 -10.858 24.839 1.00 0.00 C ATOM 1040 ND1 HIS A 73 -1.973 -11.752 25.883 1.00 0.00 N ATOM 1041 CD2 HIS A 73 -2.756 -9.849 25.175 1.00 0.00 C ATOM 1042 CE1 HIS A 73 -2.797 -11.308 26.802 1.00 0.00 C ATOM 1043 NE2 HIS A 73 -3.291 -10.155 26.399 1.00 0.00 N ATOM 0 H HIS A 73 -0.043 -11.693 21.446 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.688 -10.886 22.265 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.808 -12.144 23.559 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.091 -10.562 23.789 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -2.965 -8.967 24.587 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.031 -11.804 27.732 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -3.961 -9.584 26.914 1.00 0.00 H new ATOM 1052 N ILE A 74 -0.304 -8.701 21.732 1.00 0.00 N ATOM 1053 CA ILE A 74 0.033 -7.330 21.497 1.00 0.00 C ATOM 1054 C ILE A 74 -0.771 -6.795 20.323 1.00 0.00 C ATOM 1055 O ILE A 74 -1.420 -5.767 20.442 1.00 0.00 O ATOM 1056 CB ILE A 74 1.542 -7.225 21.260 1.00 0.00 C ATOM 1057 CG1 ILE A 74 2.250 -7.590 22.561 1.00 0.00 C ATOM 1058 CG2 ILE A 74 1.931 -5.827 20.811 1.00 0.00 C ATOM 1059 CD1 ILE A 74 3.654 -8.041 22.376 1.00 0.00 C ATOM 0 H ILE A 74 0.469 -9.343 21.557 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.218 -6.719 22.364 1.00 0.00 H new ATOM 0 HB ILE A 74 1.838 -7.909 20.465 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.241 -6.724 23.223 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.688 -8.379 23.060 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.008 -5.783 20.651 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.416 -5.587 19.881 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.649 -5.107 21.579 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.089 -8.282 23.346 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.671 -8.926 21.740 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.233 -7.246 21.906 1.00 0.00 H new ATOM 1071 N LEU A 75 -0.776 -7.539 19.215 1.00 0.00 N ATOM 1072 CA LEU A 75 -1.587 -7.188 18.028 1.00 0.00 C ATOM 1073 C LEU A 75 -3.062 -7.072 18.390 1.00 0.00 C ATOM 1074 O LEU A 75 -3.752 -6.171 17.942 1.00 0.00 O ATOM 1075 CB LEU A 75 -1.410 -8.233 16.924 1.00 0.00 C ATOM 1076 CG LEU A 75 -0.068 -8.233 16.208 1.00 0.00 C ATOM 1077 CD1 LEU A 75 0.066 -9.469 15.339 1.00 0.00 C ATOM 1078 CD2 LEU A 75 0.077 -6.968 15.361 1.00 0.00 C ATOM 0 H LEU A 75 -0.228 -8.393 19.107 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.238 -6.222 17.663 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.566 -9.220 17.359 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.194 -8.084 16.182 1.00 0.00 H new ATOM 0 HG LEU A 75 0.727 -8.247 16.954 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.031 -9.455 14.833 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.004 -10.361 15.962 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.732 -9.480 14.597 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.041 -6.979 14.853 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.723 -6.932 14.621 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.016 -6.090 16.004 1.00 0.00 H new ATOM 1090 N SER A 76 -3.516 -7.990 19.218 1.00 0.00 N ATOM 1091 CA SER A 76 -4.883 -8.031 19.709 1.00 0.00 C ATOM 1092 C SER A 76 -5.269 -6.714 20.426 1.00 0.00 C ATOM 1093 O SER A 76 -6.379 -6.232 20.273 1.00 0.00 O ATOM 1094 CB SER A 76 -5.047 -9.250 20.651 1.00 0.00 C ATOM 1095 OG SER A 76 -6.358 -9.384 21.176 1.00 0.00 O ATOM 0 H SER A 76 -2.934 -8.746 19.578 1.00 0.00 H new ATOM 0 HA SER A 76 -5.560 -8.137 18.861 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.787 -10.158 20.107 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.341 -9.160 21.476 1.00 0.00 H new ATOM 0 HG SER A 76 -6.398 -10.170 21.760 1.00 0.00 H new ATOM 1101 N ASN A 77 -4.330 -6.116 21.149 1.00 0.00 N ATOM 1102 CA ASN A 77 -4.604 -4.895 21.940 1.00 0.00 C ATOM 1103 C ASN A 77 -4.177 -3.609 21.240 1.00 0.00 C ATOM 1104 O ASN A 77 -4.528 -2.507 21.689 1.00 0.00 O ATOM 1105 CB ASN A 77 -3.895 -4.950 23.300 1.00 0.00 C ATOM 1106 CG ASN A 77 -4.584 -5.788 24.369 1.00 0.00 C ATOM 1107 OD1 ASN A 77 -5.304 -6.812 23.993 1.00 0.00 O flip ATOM 1108 ND2 ASN A 77 -4.451 -5.496 25.555 1.00 0.00 N flip ATOM 0 H ASN A 77 -3.367 -6.447 21.212 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.687 -4.875 22.065 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.889 -5.342 23.149 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.788 -3.932 23.675 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -3.883 -4.692 25.822 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.908 -6.058 26.273 1.00 0.00 H new ATOM 1115 N ALA A 78 -3.434 -3.723 20.174 1.00 0.00 N ATOM 1116 CA ALA A 78 -2.867 -2.559 19.526 1.00 0.00 C ATOM 1117 C ALA A 78 -3.803 -1.943 18.519 1.00 0.00 C ATOM 1118 O ALA A 78 -4.364 -2.649 17.687 1.00 0.00 O ATOM 1119 CB ALA A 78 -1.529 -2.895 18.884 1.00 0.00 C ATOM 0 H ALA A 78 -3.203 -4.611 19.729 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.705 -1.813 20.304 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.122 -2.005 18.403 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.835 -3.243 19.649 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.669 -3.678 18.139 1.00 0.00 H new ATOM 1125 N VAL A 79 -3.975 -0.622 18.614 1.00 0.00 N ATOM 1126 CA VAL A 79 -4.783 0.150 17.680 1.00 0.00 C ATOM 1127 C VAL A 79 -3.975 1.432 17.295 1.00 0.00 C ATOM 1128 O VAL A 79 -2.858 1.632 17.804 1.00 0.00 O ATOM 1129 CB VAL A 79 -6.198 0.541 18.289 1.00 0.00 C ATOM 1130 CG1 VAL A 79 -6.734 -0.506 19.180 1.00 0.00 C ATOM 1131 CG2 VAL A 79 -6.260 1.891 18.939 1.00 0.00 C ATOM 0 H VAL A 79 -3.551 -0.057 19.350 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.988 -0.457 16.798 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.846 0.615 17.416 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.702 -0.191 19.570 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.853 -1.434 18.621 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.044 -0.667 20.008 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.265 2.064 19.323 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.546 1.932 19.761 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.014 2.659 18.206 1.00 0.00 H new ATOM 1141 N GLY A 80 -4.521 2.275 16.431 1.00 0.00 N ATOM 1142 CA GLY A 80 -3.863 3.497 16.018 1.00 0.00 C ATOM 1143 C GLY A 80 -3.130 3.287 14.731 1.00 0.00 C ATOM 1144 O GLY A 80 -3.500 2.392 13.956 1.00 0.00 O ATOM 0 H GLY A 80 -5.433 2.127 15.999 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.600 4.291 15.899 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.167 3.822 16.791 1.00 0.00 H new ATOM 1148 N GLU A 81 -2.168 4.145 14.438 1.00 0.00 N ATOM 1149 CA GLU A 81 -1.291 3.924 13.324 1.00 0.00 C ATOM 1150 C GLU A 81 -0.267 2.909 13.775 1.00 0.00 C ATOM 1151 O GLU A 81 0.604 3.204 14.595 1.00 0.00 O ATOM 1152 CB GLU A 81 -0.562 5.208 12.854 1.00 0.00 C ATOM 1153 CG GLU A 81 -1.443 6.351 12.350 1.00 0.00 C ATOM 1154 CD GLU A 81 -2.148 7.095 13.448 1.00 0.00 C ATOM 1155 OE1 GLU A 81 -1.547 8.011 14.029 1.00 0.00 O ATOM 1156 OE2 GLU A 81 -3.320 6.802 13.728 1.00 0.00 O ATOM 0 H GLU A 81 -1.982 5.000 14.963 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.882 3.582 12.475 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.039 5.581 13.683 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.130 4.934 12.057 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.828 7.051 11.785 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.185 5.950 11.660 1.00 0.00 H new ATOM 1163 N ILE A 82 -0.375 1.737 13.274 1.00 0.00 N ATOM 1164 CA ILE A 82 0.485 0.675 13.697 1.00 0.00 C ATOM 1165 C ILE A 82 1.503 0.441 12.633 1.00 0.00 C ATOM 1166 O ILE A 82 1.171 0.076 11.513 1.00 0.00 O ATOM 1167 CB ILE A 82 -0.341 -0.611 13.993 1.00 0.00 C ATOM 1168 CG1 ILE A 82 -1.350 -0.309 15.113 1.00 0.00 C ATOM 1169 CG2 ILE A 82 0.575 -1.789 14.389 1.00 0.00 C ATOM 1170 CD1 ILE A 82 -2.361 -1.397 15.369 1.00 0.00 C ATOM 0 H ILE A 82 -1.056 1.477 12.561 1.00 0.00 H new ATOM 0 HA ILE A 82 0.992 0.947 14.623 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.873 -0.906 13.089 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.801 -0.120 16.035 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.882 0.609 14.865 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.033 -2.671 14.589 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.267 -2.002 13.574 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.139 -1.526 15.284 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.028 -1.092 16.175 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.943 -1.573 14.464 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.845 -2.314 15.653 1.00 0.00 H new ATOM 1182 N HIS A 83 2.739 0.656 12.988 1.00 0.00 N ATOM 1183 CA HIS A 83 3.836 0.546 12.055 1.00 0.00 C ATOM 1184 C HIS A 83 4.429 -0.783 12.316 1.00 0.00 C ATOM 1185 O HIS A 83 4.966 -1.020 13.383 1.00 0.00 O ATOM 1186 CB HIS A 83 4.900 1.646 12.301 1.00 0.00 C ATOM 1187 CG HIS A 83 4.388 3.074 12.314 1.00 0.00 C ATOM 1188 ND1 HIS A 83 4.777 4.026 11.407 1.00 0.00 N ATOM 1189 CD2 HIS A 83 3.543 3.708 13.170 1.00 0.00 C ATOM 1190 CE1 HIS A 83 4.195 5.176 11.696 1.00 0.00 C ATOM 1191 NE2 HIS A 83 3.441 5.005 12.762 1.00 0.00 N ATOM 0 H HIS A 83 3.019 0.913 13.934 1.00 0.00 H new ATOM 0 HA HIS A 83 3.493 0.664 11.027 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.386 1.446 13.256 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.666 1.562 11.530 1.00 0.00 H new ATOM 0 HD2 HIS A 83 3.043 3.265 14.019 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.317 6.100 11.150 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.874 5.725 13.209 1.00 0.00 H new ATOM 1200 N MET A 84 4.285 -1.645 11.413 1.00 0.00 N ATOM 1201 CA MET A 84 4.684 -2.974 11.608 1.00 0.00 C ATOM 1202 C MET A 84 5.678 -3.330 10.516 1.00 0.00 C ATOM 1203 O MET A 84 5.590 -2.805 9.432 1.00 0.00 O ATOM 1204 CB MET A 84 3.418 -3.778 11.490 1.00 0.00 C ATOM 1205 CG MET A 84 3.424 -5.082 12.181 1.00 0.00 C ATOM 1206 SD MET A 84 1.845 -5.892 12.076 1.00 0.00 S ATOM 1207 CE MET A 84 1.726 -5.971 10.317 1.00 0.00 C ATOM 0 H MET A 84 3.880 -1.453 10.497 1.00 0.00 H new ATOM 0 HA MET A 84 5.167 -3.158 12.567 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.593 -3.183 11.882 1.00 0.00 H new ATOM 0 HB3 MET A 84 3.214 -3.948 10.433 1.00 0.00 H new ATOM 0 HG2 MET A 84 4.190 -5.722 11.743 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.689 -4.937 13.228 1.00 0.00 H new ATOM 0 HE1 MET A 84 1.207 -6.885 10.028 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.171 -5.108 9.951 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.726 -5.969 9.884 1.00 0.00 H new ATOM 1217 N LYS A 85 6.621 -4.191 10.781 1.00 0.00 N ATOM 1218 CA LYS A 85 7.610 -4.519 9.784 1.00 0.00 C ATOM 1219 C LYS A 85 7.473 -5.956 9.487 1.00 0.00 C ATOM 1220 O LYS A 85 7.418 -6.768 10.401 1.00 0.00 O ATOM 1221 CB LYS A 85 9.013 -4.252 10.296 1.00 0.00 C ATOM 1222 CG LYS A 85 9.312 -2.833 10.701 1.00 0.00 C ATOM 1223 CD LYS A 85 9.438 -1.905 9.525 1.00 0.00 C ATOM 1224 CE LYS A 85 10.465 -0.824 9.813 1.00 0.00 C ATOM 1225 NZ LYS A 85 10.137 0.027 10.980 1.00 0.00 N ATOM 0 H LYS A 85 6.728 -4.677 11.671 1.00 0.00 H new ATOM 0 HA LYS A 85 7.453 -3.906 8.897 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.194 -4.899 11.154 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.722 -4.544 9.522 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.520 -2.473 11.358 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.238 -2.812 11.276 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.732 -2.468 8.639 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.472 -1.449 9.308 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.434 -1.294 9.981 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.566 -0.190 8.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.828 0.801 11.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.183 0.425 10.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.169 -0.546 11.847 1.00 0.00 H new ATOM 1239 N THR A 86 7.360 -6.280 8.257 1.00 0.00 N ATOM 1240 CA THR A 86 7.206 -7.645 7.877 1.00 0.00 C ATOM 1241 C THR A 86 8.233 -8.021 6.823 1.00 0.00 C ATOM 1242 O THR A 86 8.575 -7.211 5.978 1.00 0.00 O ATOM 1243 CB THR A 86 5.774 -7.945 7.356 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.509 -7.234 6.128 1.00 0.00 O ATOM 1245 CG2 THR A 86 4.723 -7.552 8.383 1.00 0.00 C ATOM 0 H THR A 86 7.370 -5.617 7.482 1.00 0.00 H new ATOM 0 HA THR A 86 7.367 -8.250 8.769 1.00 0.00 H new ATOM 0 HB THR A 86 5.720 -9.018 7.174 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.906 -6.339 6.176 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.730 -7.773 7.991 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.884 -8.115 9.302 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.800 -6.485 8.593 1.00 0.00 H new ATOM 1253 N MET A 87 8.727 -9.219 6.892 1.00 0.00 N ATOM 1254 CA MET A 87 9.678 -9.727 5.930 1.00 0.00 C ATOM 1255 C MET A 87 8.967 -10.821 5.178 1.00 0.00 C ATOM 1256 O MET A 87 7.910 -11.240 5.632 1.00 0.00 O ATOM 1257 CB MET A 87 10.909 -10.289 6.669 1.00 0.00 C ATOM 1258 CG MET A 87 11.692 -9.244 7.440 1.00 0.00 C ATOM 1259 SD MET A 87 13.042 -9.934 8.425 1.00 0.00 S ATOM 1260 CE MET A 87 14.038 -10.739 7.179 1.00 0.00 C ATOM 0 H MET A 87 8.483 -9.886 7.624 1.00 0.00 H new ATOM 0 HA MET A 87 10.027 -8.949 5.251 1.00 0.00 H new ATOM 0 HB2 MET A 87 10.583 -11.067 7.359 1.00 0.00 H new ATOM 0 HB3 MET A 87 11.571 -10.763 5.944 1.00 0.00 H new ATOM 0 HG2 MET A 87 12.100 -8.517 6.738 1.00 0.00 H new ATOM 0 HG3 MET A 87 11.011 -8.704 8.099 1.00 0.00 H new ATOM 0 HE1 MET A 87 14.518 -11.618 7.609 1.00 0.00 H new ATOM 0 HE2 MET A 87 13.404 -11.042 6.346 1.00 0.00 H new ATOM 0 HE3 MET A 87 14.801 -10.048 6.821 1.00 0.00 H new ATOM 1270 N PRO A 88 9.497 -11.352 4.057 1.00 0.00 N ATOM 1271 CA PRO A 88 8.845 -12.452 3.294 1.00 0.00 C ATOM 1272 C PRO A 88 8.987 -13.806 4.018 1.00 0.00 C ATOM 1273 O PRO A 88 9.021 -14.874 3.391 1.00 0.00 O ATOM 1274 CB PRO A 88 9.620 -12.473 1.965 1.00 0.00 C ATOM 1275 CG PRO A 88 10.436 -11.224 1.961 1.00 0.00 C ATOM 1276 CD PRO A 88 10.739 -10.933 3.395 1.00 0.00 C ATOM 0 HA PRO A 88 7.774 -12.293 3.172 1.00 0.00 H new ATOM 0 HB2 PRO A 88 10.254 -13.357 1.894 1.00 0.00 H new ATOM 0 HB3 PRO A 88 8.939 -12.500 1.114 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.353 -11.357 1.387 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.889 -10.401 1.502 1.00 0.00 H new ATOM 0 HD2 PRO A 88 11.602 -11.495 3.752 1.00 0.00 H new ATOM 0 HD3 PRO A 88 10.955 -9.878 3.561 1.00 0.00 H new ATOM 1284 N ALA A 89 9.050 -13.716 5.349 1.00 0.00 N ATOM 1285 CA ALA A 89 9.168 -14.822 6.280 1.00 0.00 C ATOM 1286 C ALA A 89 10.510 -15.500 6.177 1.00 0.00 C ATOM 1287 O ALA A 89 10.685 -16.638 6.586 1.00 0.00 O ATOM 1288 CB ALA A 89 7.996 -15.767 6.170 1.00 0.00 C ATOM 0 H ALA A 89 9.018 -12.814 5.825 1.00 0.00 H new ATOM 0 HA ALA A 89 9.126 -14.417 7.291 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.119 -16.583 6.882 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.073 -15.230 6.389 1.00 0.00 H new ATOM 0 HB3 ALA A 89 7.949 -16.172 5.159 1.00 0.00 H new ATOM 1294 N ALA A 90 11.456 -14.752 5.685 1.00 0.00 N ATOM 1295 CA ALA A 90 12.811 -15.166 5.601 1.00 0.00 C ATOM 1296 C ALA A 90 13.443 -14.832 6.924 1.00 0.00 C ATOM 1297 O ALA A 90 14.133 -15.685 7.509 1.00 0.00 O ATOM 1298 CB ALA A 90 13.524 -14.451 4.461 1.00 0.00 C ATOM 1299 OXT ALA A 90 13.136 -13.748 7.450 1.00 0.00 O ATOM 0 H ALA A 90 11.292 -13.812 5.323 1.00 0.00 H new ATOM 0 HA ALA A 90 12.883 -16.234 5.394 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.561 -14.783 4.415 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.027 -14.682 3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.495 -13.375 4.632 1.00 0.00 H new TER 1305 ALA A 90