USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 715 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 69 GLN : amide:sc= -3.71 K(o=-9.2,f=-24!) USER MOD Set 1.2: A 71 MET CE :methyl -122:sc= -5.48 (180deg=-12.6!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 169:sc= 0.792 (180deg=0.661) USER MOD Single : A 26 GLN : amide:sc= -0.0242 X(o=-0.024,f=-0.024) USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= -0.0529 (180deg=-0.343) USER MOD Single : A 38 SER OG : rot -170:sc= 0.752 USER MOD Single : A 42 SER OG : rot -1:sc= 0.899 USER MOD Single : A 46 THR OG1 : rot 42:sc= -2! USER MOD Single : A 51 ASN : amide:sc= -5.15! K(o=-5.1!,f=-1.9) USER MOD Single : A 52 MET CE :methyl 161:sc= -2.88! (180deg=-5.14!) USER MOD Single : A 53 MET CE :methyl -164:sc= -1.56 (180deg=-1.99!) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -117:sc= 0.849 (180deg=-0.14) USER MOD Single : A 61 SER OG : rot -89:sc= -5.38! USER MOD Single : A 63 LYS NZ :NH3+ 167:sc= 0.201 (180deg=0.0606) USER MOD Single : A 65 ASN : amide:sc= -0.677 K(o=-0.68,f=-0.12) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -3.12! C(o=-3.1!,f=-9!) USER MOD Single : A 76 THR OG1 : rot 81:sc= 0.718 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -0.201 USER MOD Single : A 85 THR OG1 : rot -170:sc= 0.00202 USER MOD Single : A 86 CYS SG : rot 73:sc= -0.875 USER MOD Single : A 87 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.45) USER MOD Single : A 88 SER OG : rot 76:sc= 0.737 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -1.14 K(o=-1.1,f=-0.15) USER MOD Single : A 96 GLN : amide:sc= -2.9 K(o=-2.9,f=-2.2) USER MOD Single : A 97 SER OG : rot -0:sc= 1.78 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= 1.24 K(o=1.2,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 17 -3.056 -7.241 -9.862 1.00 0.00 N ATOM 2 CA GLU A 17 -3.143 -5.984 -10.597 1.00 0.00 C ATOM 3 C GLU A 17 -2.121 -4.977 -10.080 1.00 0.00 C ATOM 4 O GLU A 17 -2.387 -4.239 -9.132 1.00 0.00 O ATOM 5 CB GLU A 17 -4.551 -5.400 -10.487 1.00 0.00 C ATOM 6 CG GLU A 17 -4.967 -4.580 -11.697 1.00 0.00 C ATOM 7 CD GLU A 17 -6.448 -4.695 -12.000 1.00 0.00 C ATOM 8 OE1 GLU A 17 -7.262 -4.289 -11.144 1.00 0.00 O ATOM 9 OE2 GLU A 17 -6.794 -5.190 -13.093 1.00 0.00 O ATOM 0 HA GLU A 17 -2.924 -6.191 -11.644 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.263 -6.214 -10.348 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.606 -4.773 -9.597 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.716 -3.533 -11.525 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.396 -4.907 -12.566 1.00 0.00 H new ATOM 16 N PHE A 18 -0.954 -4.950 -10.714 1.00 0.00 N ATOM 17 CA PHE A 18 0.106 -4.029 -10.326 1.00 0.00 C ATOM 18 C PHE A 18 -0.356 -2.586 -10.496 1.00 0.00 C ATOM 19 O PHE A 18 -1.168 -2.287 -11.372 1.00 0.00 O ATOM 20 CB PHE A 18 1.361 -4.285 -11.160 1.00 0.00 C ATOM 21 CG PHE A 18 2.460 -4.967 -10.397 1.00 0.00 C ATOM 22 CD1 PHE A 18 3.032 -4.360 -9.291 1.00 0.00 C ATOM 23 CD2 PHE A 18 2.922 -6.214 -10.787 1.00 0.00 C ATOM 24 CE1 PHE A 18 4.044 -4.984 -8.587 1.00 0.00 C ATOM 25 CE2 PHE A 18 3.934 -6.844 -10.086 1.00 0.00 C ATOM 26 CZ PHE A 18 4.496 -6.227 -8.985 1.00 0.00 C ATOM 0 H PHE A 18 -0.719 -5.556 -11.500 1.00 0.00 H new ATOM 0 HA PHE A 18 0.344 -4.196 -9.276 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.096 -4.896 -12.023 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.732 -3.335 -11.544 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.683 -3.388 -8.975 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.487 -6.699 -11.648 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.481 -4.500 -7.726 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.284 -7.817 -10.399 1.00 0.00 H new ATOM 0 HZ PHE A 18 5.288 -6.716 -8.436 1.00 0.00 H new ATOM 36 N LYS A 19 0.149 -1.696 -9.649 1.00 0.00 N ATOM 37 CA LYS A 19 -0.238 -0.293 -9.713 1.00 0.00 C ATOM 38 C LYS A 19 0.942 0.637 -9.433 1.00 0.00 C ATOM 39 O LYS A 19 1.466 0.668 -8.320 1.00 0.00 O ATOM 40 CB LYS A 19 -1.359 -0.020 -8.706 1.00 0.00 C ATOM 41 CG LYS A 19 -2.678 0.371 -9.351 1.00 0.00 C ATOM 42 CD LYS A 19 -3.865 -0.132 -8.544 1.00 0.00 C ATOM 43 CE LYS A 19 -4.963 0.918 -8.453 1.00 0.00 C ATOM 44 NZ LYS A 19 -6.304 0.345 -8.756 1.00 0.00 N ATOM 0 H LYS A 19 0.822 -1.919 -8.916 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.588 -0.091 -10.725 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.513 -0.911 -8.097 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.044 0.777 -8.032 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.732 1.456 -9.442 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.725 -0.036 -10.361 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.262 -1.036 -9.005 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.536 -0.403 -7.541 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.970 1.350 -7.452 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.749 1.729 -9.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.025 1.091 -8.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.305 -0.045 -9.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.520 -0.412 -8.076 1.00 0.00 H new ATOM 58 N ASP A 20 1.332 1.417 -10.439 1.00 0.00 N ATOM 59 CA ASP A 20 2.424 2.374 -10.283 1.00 0.00 C ATOM 60 C ASP A 20 1.928 3.559 -9.473 1.00 0.00 C ATOM 61 O ASP A 20 1.666 4.634 -10.012 1.00 0.00 O ATOM 62 CB ASP A 20 2.933 2.844 -11.649 1.00 0.00 C ATOM 63 CG ASP A 20 3.088 1.705 -12.636 1.00 0.00 C ATOM 64 OD1 ASP A 20 3.047 0.533 -12.205 1.00 0.00 O ATOM 65 OD2 ASP A 20 3.253 1.983 -13.844 1.00 0.00 O ATOM 0 H ASP A 20 0.910 1.405 -11.367 1.00 0.00 H new ATOM 0 HA ASP A 20 3.252 1.892 -9.764 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.241 3.581 -12.056 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.893 3.344 -11.523 1.00 0.00 H new ATOM 70 N VAL A 21 1.776 3.338 -8.174 1.00 0.00 N ATOM 71 CA VAL A 21 1.285 4.365 -7.276 1.00 0.00 C ATOM 72 C VAL A 21 2.259 5.522 -7.166 1.00 0.00 C ATOM 73 O VAL A 21 3.366 5.369 -6.654 1.00 0.00 O ATOM 74 CB VAL A 21 1.016 3.799 -5.870 1.00 0.00 C ATOM 75 CG1 VAL A 21 0.403 4.863 -4.970 1.00 0.00 C ATOM 76 CG2 VAL A 21 0.113 2.579 -5.958 1.00 0.00 C ATOM 0 H VAL A 21 1.988 2.450 -7.720 1.00 0.00 H new ATOM 0 HA VAL A 21 0.349 4.728 -7.701 1.00 0.00 H new ATOM 0 HB VAL A 21 1.966 3.494 -5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.221 4.442 -3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.088 5.706 -4.885 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.540 5.203 -5.399 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.069 2.188 -4.957 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.835 2.860 -6.416 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.595 1.812 -6.564 1.00 0.00 H new ATOM 86 N PHE A 22 1.830 6.685 -7.635 1.00 0.00 N ATOM 87 CA PHE A 22 2.654 7.876 -7.567 1.00 0.00 C ATOM 88 C PHE A 22 2.085 8.830 -6.531 1.00 0.00 C ATOM 89 O PHE A 22 1.082 9.499 -6.775 1.00 0.00 O ATOM 90 CB PHE A 22 2.722 8.564 -8.933 1.00 0.00 C ATOM 91 CG PHE A 22 4.045 9.218 -9.240 1.00 0.00 C ATOM 92 CD1 PHE A 22 5.089 9.203 -8.323 1.00 0.00 C ATOM 93 CD2 PHE A 22 4.243 9.846 -10.458 1.00 0.00 C ATOM 94 CE1 PHE A 22 6.296 9.799 -8.620 1.00 0.00 C ATOM 95 CE2 PHE A 22 5.450 10.446 -10.757 1.00 0.00 C ATOM 96 CZ PHE A 22 6.476 10.420 -9.835 1.00 0.00 C ATOM 0 H PHE A 22 0.916 6.826 -8.066 1.00 0.00 H new ATOM 0 HA PHE A 22 3.665 7.588 -7.278 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.507 7.828 -9.707 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.938 9.319 -8.985 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.953 8.719 -7.367 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.443 9.867 -11.183 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.100 9.779 -7.899 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.591 10.934 -11.710 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.422 10.888 -10.067 1.00 0.00 H new ATOM 106 N ILE A 23 2.721 8.878 -5.369 1.00 0.00 N ATOM 107 CA ILE A 23 2.262 9.741 -4.293 1.00 0.00 C ATOM 108 C ILE A 23 3.037 11.044 -4.267 1.00 0.00 C ATOM 109 O ILE A 23 4.181 11.089 -3.822 1.00 0.00 O ATOM 110 CB ILE A 23 2.392 9.045 -2.927 1.00 0.00 C ATOM 111 CG1 ILE A 23 1.906 7.594 -3.026 1.00 0.00 C ATOM 112 CG2 ILE A 23 1.623 9.816 -1.866 1.00 0.00 C ATOM 113 CD1 ILE A 23 0.399 7.448 -3.099 1.00 0.00 C ATOM 0 H ILE A 23 3.553 8.331 -5.149 1.00 0.00 H new ATOM 0 HA ILE A 23 1.211 9.956 -4.483 1.00 0.00 H new ATOM 0 HB ILE A 23 3.441 9.030 -2.633 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.348 7.134 -3.910 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.272 7.040 -2.162 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.724 9.312 -0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.023 10.827 -1.789 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.570 9.863 -2.142 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.139 6.392 -3.167 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.052 7.876 -2.204 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.025 7.971 -3.979 1.00 0.00 H new ATOM 125 N GLU A 24 2.399 12.103 -4.742 1.00 0.00 N ATOM 126 CA GLU A 24 3.018 13.422 -4.778 1.00 0.00 C ATOM 127 C GLU A 24 2.600 14.235 -3.556 1.00 0.00 C ATOM 128 O GLU A 24 1.437 14.609 -3.419 1.00 0.00 O ATOM 129 CB GLU A 24 2.615 14.159 -6.057 1.00 0.00 C ATOM 130 CG GLU A 24 3.777 14.431 -6.997 1.00 0.00 C ATOM 131 CD GLU A 24 3.407 15.379 -8.121 1.00 0.00 C ATOM 132 OE1 GLU A 24 3.251 16.587 -7.851 1.00 0.00 O ATOM 133 OE2 GLU A 24 3.275 14.911 -9.273 1.00 0.00 O ATOM 0 H GLU A 24 1.448 12.075 -5.110 1.00 0.00 H new ATOM 0 HA GLU A 24 4.101 13.299 -4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.863 13.571 -6.583 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.147 15.106 -5.788 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.607 14.852 -6.430 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.125 13.489 -7.421 1.00 0.00 H new ATOM 140 N LYS A 25 3.551 14.501 -2.669 1.00 0.00 N ATOM 141 CA LYS A 25 3.268 15.265 -1.459 1.00 0.00 C ATOM 142 C LYS A 25 4.331 16.330 -1.225 1.00 0.00 C ATOM 143 O LYS A 25 5.161 16.598 -2.094 1.00 0.00 O ATOM 144 CB LYS A 25 3.185 14.328 -0.251 1.00 0.00 C ATOM 145 CG LYS A 25 4.507 13.660 0.097 1.00 0.00 C ATOM 146 CD LYS A 25 4.290 12.297 0.736 1.00 0.00 C ATOM 147 CE LYS A 25 5.196 11.242 0.122 1.00 0.00 C ATOM 148 NZ LYS A 25 5.718 10.293 1.145 1.00 0.00 N ATOM 0 H LYS A 25 4.521 14.201 -2.763 1.00 0.00 H new ATOM 0 HA LYS A 25 2.308 15.765 -1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.835 14.893 0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.440 13.558 -0.450 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.108 13.549 -0.805 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.070 14.297 0.779 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.480 12.362 1.807 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.249 11.999 0.614 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.645 10.689 -0.639 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.031 11.729 -0.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.174 9.488 0.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.413 10.779 1.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.932 9.949 1.732 1.00 0.00 H new ATOM 162 N GLN A 26 4.301 16.936 -0.043 1.00 0.00 N ATOM 163 CA GLN A 26 5.264 17.970 0.310 1.00 0.00 C ATOM 164 C GLN A 26 6.321 17.412 1.254 1.00 0.00 C ATOM 165 O GLN A 26 6.074 16.445 1.975 1.00 0.00 O ATOM 166 CB GLN A 26 4.556 19.158 0.963 1.00 0.00 C ATOM 167 CG GLN A 26 4.022 20.173 -0.035 1.00 0.00 C ATOM 168 CD GLN A 26 2.801 19.670 -0.780 1.00 0.00 C ATOM 169 OE1 GLN A 26 1.687 19.695 -0.258 1.00 0.00 O ATOM 170 NE2 GLN A 26 3.006 19.210 -2.009 1.00 0.00 N ATOM 0 H GLN A 26 3.619 16.728 0.687 1.00 0.00 H new ATOM 0 HA GLN A 26 5.752 18.310 -0.603 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.729 18.789 1.570 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.250 19.657 1.639 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.769 21.095 0.489 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.805 20.419 -0.752 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.947 19.208 -2.402 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.222 18.859 -2.559 1.00 0.00 H new ATOM 179 N LYS A 27 7.499 18.023 1.247 1.00 0.00 N ATOM 180 CA LYS A 27 8.586 17.582 2.108 1.00 0.00 C ATOM 181 C LYS A 27 8.174 17.658 3.574 1.00 0.00 C ATOM 182 O LYS A 27 7.614 18.659 4.022 1.00 0.00 O ATOM 183 CB LYS A 27 9.838 18.424 1.861 1.00 0.00 C ATOM 184 CG LYS A 27 10.827 17.775 0.907 1.00 0.00 C ATOM 185 CD LYS A 27 10.301 17.765 -0.518 1.00 0.00 C ATOM 186 CE LYS A 27 11.290 17.117 -1.472 1.00 0.00 C ATOM 187 NZ LYS A 27 11.279 17.768 -2.812 1.00 0.00 N ATOM 0 H LYS A 27 7.725 18.823 0.656 1.00 0.00 H new ATOM 0 HA LYS A 27 8.814 16.543 1.869 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.541 19.393 1.460 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.334 18.612 2.813 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.775 18.312 0.942 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.028 16.753 1.229 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.354 17.227 -0.554 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.100 18.787 -0.840 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.293 17.174 -1.049 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.050 16.059 -1.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.625 17.097 -3.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.309 18.058 -3.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.896 18.605 -2.796 1.00 0.00 H new ATOM 201 N GLY A 28 8.436 16.585 4.309 1.00 0.00 N ATOM 202 CA GLY A 28 8.069 16.535 5.709 1.00 0.00 C ATOM 203 C GLY A 28 6.716 15.882 5.912 1.00 0.00 C ATOM 204 O GLY A 28 6.118 15.993 6.982 1.00 0.00 O ATOM 0 H GLY A 28 8.898 15.746 3.958 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.827 15.982 6.264 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.050 17.546 6.116 1.00 0.00 H new ATOM 208 N GLU A 29 6.229 15.201 4.875 1.00 0.00 N ATOM 209 CA GLU A 29 4.930 14.532 4.940 1.00 0.00 C ATOM 210 C GLU A 29 5.064 13.031 4.684 1.00 0.00 C ATOM 211 O GLU A 29 5.684 12.613 3.706 1.00 0.00 O ATOM 212 CB GLU A 29 3.968 15.143 3.917 1.00 0.00 C ATOM 213 CG GLU A 29 3.432 16.507 4.317 1.00 0.00 C ATOM 214 CD GLU A 29 4.532 17.490 4.661 1.00 0.00 C ATOM 215 OE1 GLU A 29 5.203 17.981 3.729 1.00 0.00 O ATOM 216 OE2 GLU A 29 4.724 17.771 5.864 1.00 0.00 O ATOM 0 H GLU A 29 6.712 15.098 3.983 1.00 0.00 H new ATOM 0 HA GLU A 29 4.533 14.675 5.945 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.480 15.231 2.959 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.129 14.463 3.769 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.832 16.910 3.501 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.769 16.395 5.175 1.00 0.00 H new ATOM 223 N ILE A 30 4.470 12.227 5.563 1.00 0.00 N ATOM 224 CA ILE A 30 4.515 10.782 5.426 1.00 0.00 C ATOM 225 C ILE A 30 3.408 10.289 4.495 1.00 0.00 C ATOM 226 O ILE A 30 2.349 10.908 4.399 1.00 0.00 O ATOM 227 CB ILE A 30 4.386 10.087 6.794 1.00 0.00 C ATOM 228 CG1 ILE A 30 2.993 10.312 7.375 1.00 0.00 C ATOM 229 CG2 ILE A 30 5.456 10.592 7.750 1.00 0.00 C ATOM 230 CD1 ILE A 30 2.278 9.032 7.755 1.00 0.00 C ATOM 0 H ILE A 30 3.952 12.557 6.377 1.00 0.00 H new ATOM 0 HA ILE A 30 5.483 10.527 4.995 1.00 0.00 H new ATOM 0 HB ILE A 30 4.531 9.016 6.655 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.075 10.947 8.257 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.388 10.853 6.647 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.350 10.091 8.712 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.442 10.380 7.337 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.343 11.667 7.887 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.295 9.271 8.160 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.163 8.403 6.872 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.861 8.499 8.507 1.00 0.00 H new ATOM 242 N LEU A 31 3.663 9.180 3.808 1.00 0.00 N ATOM 243 CA LEU A 31 2.688 8.609 2.878 1.00 0.00 C ATOM 244 C LEU A 31 1.298 8.535 3.507 1.00 0.00 C ATOM 245 O LEU A 31 0.321 9.014 2.931 1.00 0.00 O ATOM 246 CB LEU A 31 3.140 7.214 2.436 1.00 0.00 C ATOM 247 CG LEU A 31 3.143 6.982 0.923 1.00 0.00 C ATOM 248 CD1 LEU A 31 4.407 6.252 0.495 1.00 0.00 C ATOM 249 CD2 LEU A 31 1.906 6.201 0.504 1.00 0.00 C ATOM 0 H LEU A 31 4.536 8.657 3.876 1.00 0.00 H new ATOM 0 HA LEU A 31 2.629 9.262 2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.146 7.037 2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.488 6.474 2.900 1.00 0.00 H new ATOM 0 HG LEU A 31 3.124 7.952 0.426 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.390 6.097 -0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.280 6.848 0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.459 5.287 1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.923 6.044 -0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.896 5.236 1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.012 6.763 0.775 1.00 0.00 H new ATOM 261 N GLY A 32 1.217 7.940 4.693 1.00 0.00 N ATOM 262 CA GLY A 32 -0.059 7.828 5.376 1.00 0.00 C ATOM 263 C GLY A 32 -0.612 6.414 5.376 1.00 0.00 C ATOM 264 O GLY A 32 -1.601 6.134 6.051 1.00 0.00 O ATOM 0 H GLY A 32 2.009 7.535 5.192 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.056 8.167 6.406 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.779 8.493 4.900 1.00 0.00 H new ATOM 268 N VAL A 33 0.022 5.520 4.624 1.00 0.00 N ATOM 269 CA VAL A 33 -0.430 4.134 4.560 1.00 0.00 C ATOM 270 C VAL A 33 0.326 3.262 5.550 1.00 0.00 C ATOM 271 O VAL A 33 1.554 3.196 5.529 1.00 0.00 O ATOM 272 CB VAL A 33 -0.276 3.525 3.153 1.00 0.00 C ATOM 273 CG1 VAL A 33 -1.452 3.912 2.273 1.00 0.00 C ATOM 274 CG2 VAL A 33 1.042 3.944 2.519 1.00 0.00 C ATOM 0 H VAL A 33 0.843 5.727 4.055 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.490 4.156 4.815 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.267 2.439 3.250 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.326 3.473 1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.376 3.544 2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.499 4.997 2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.126 3.501 1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.076 5.030 2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.870 3.602 3.140 1.00 0.00 H new ATOM 284 N VAL A 34 -0.422 2.585 6.409 1.00 0.00 N ATOM 285 CA VAL A 34 0.166 1.703 7.402 1.00 0.00 C ATOM 286 C VAL A 34 0.132 0.261 6.914 1.00 0.00 C ATOM 287 O VAL A 34 -0.895 -0.414 7.012 1.00 0.00 O ATOM 288 CB VAL A 34 -0.575 1.812 8.749 1.00 0.00 C ATOM 289 CG1 VAL A 34 0.012 0.849 9.771 1.00 0.00 C ATOM 290 CG2 VAL A 34 -0.524 3.242 9.266 1.00 0.00 C ATOM 0 H VAL A 34 -1.441 2.631 6.437 1.00 0.00 H new ATOM 0 HA VAL A 34 1.201 2.010 7.550 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.618 1.538 8.590 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.528 0.945 10.713 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.080 -0.173 9.403 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.064 1.084 9.930 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.051 3.304 10.218 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.515 3.541 9.406 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.999 3.907 8.544 1.00 0.00 H new ATOM 300 N ILE A 35 1.254 -0.209 6.377 1.00 0.00 N ATOM 301 CA ILE A 35 1.326 -1.571 5.872 1.00 0.00 C ATOM 302 C ILE A 35 1.859 -2.534 6.924 1.00 0.00 C ATOM 303 O ILE A 35 2.692 -2.172 7.756 1.00 0.00 O ATOM 304 CB ILE A 35 2.191 -1.689 4.598 1.00 0.00 C ATOM 305 CG1 ILE A 35 3.499 -0.899 4.719 1.00 0.00 C ATOM 306 CG2 ILE A 35 1.406 -1.222 3.382 1.00 0.00 C ATOM 307 CD1 ILE A 35 4.401 -1.355 5.846 1.00 0.00 C ATOM 0 H ILE A 35 2.116 0.328 6.282 1.00 0.00 H new ATOM 0 HA ILE A 35 0.301 -1.842 5.618 1.00 0.00 H new ATOM 0 HB ILE A 35 2.452 -2.740 4.476 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.045 -0.976 3.779 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.261 0.155 4.864 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.028 -1.311 2.491 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.515 -1.839 3.265 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.112 -0.181 3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.303 -0.744 5.860 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.877 -1.251 6.796 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.673 -2.400 5.694 1.00 0.00 H new ATOM 319 N VAL A 36 1.377 -3.768 6.872 1.00 0.00 N ATOM 320 CA VAL A 36 1.804 -4.803 7.804 1.00 0.00 C ATOM 321 C VAL A 36 2.220 -6.056 7.044 1.00 0.00 C ATOM 322 O VAL A 36 1.836 -6.243 5.892 1.00 0.00 O ATOM 323 CB VAL A 36 0.691 -5.160 8.807 1.00 0.00 C ATOM 324 CG1 VAL A 36 0.443 -4.004 9.764 1.00 0.00 C ATOM 325 CG2 VAL A 36 -0.588 -5.543 8.076 1.00 0.00 C ATOM 0 H VAL A 36 0.685 -4.078 6.189 1.00 0.00 H new ATOM 0 HA VAL A 36 2.654 -4.410 8.362 1.00 0.00 H new ATOM 0 HB VAL A 36 1.017 -6.021 9.391 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.347 -4.275 10.465 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.358 -3.785 10.315 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.140 -3.123 9.199 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.362 -5.792 8.802 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.921 -4.706 7.463 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.398 -6.406 7.438 1.00 0.00 H new ATOM 335 N GLU A 37 3.010 -6.908 7.684 1.00 0.00 N ATOM 336 CA GLU A 37 3.478 -8.135 7.048 1.00 0.00 C ATOM 337 C GLU A 37 2.305 -9.014 6.615 1.00 0.00 C ATOM 338 O GLU A 37 1.559 -9.527 7.450 1.00 0.00 O ATOM 339 CB GLU A 37 4.387 -8.912 8.002 1.00 0.00 C ATOM 340 CG GLU A 37 5.829 -8.433 7.990 1.00 0.00 C ATOM 341 CD GLU A 37 6.704 -9.195 8.965 1.00 0.00 C ATOM 342 OE1 GLU A 37 6.907 -10.410 8.757 1.00 0.00 O ATOM 343 OE2 GLU A 37 7.187 -8.578 9.938 1.00 0.00 O ATOM 0 H GLU A 37 3.340 -6.774 8.640 1.00 0.00 H new ATOM 0 HA GLU A 37 4.044 -7.858 6.159 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.993 -8.829 9.015 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.361 -9.969 7.736 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.235 -8.539 6.984 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.857 -7.371 8.235 1.00 0.00 H new ATOM 350 N SER A 38 2.152 -9.189 5.303 1.00 0.00 N ATOM 351 CA SER A 38 1.077 -10.012 4.757 1.00 0.00 C ATOM 352 C SER A 38 1.219 -11.460 5.218 1.00 0.00 C ATOM 353 O SER A 38 2.290 -12.056 5.095 1.00 0.00 O ATOM 354 CB SER A 38 1.071 -9.941 3.228 1.00 0.00 C ATOM 355 OG SER A 38 2.159 -9.173 2.746 1.00 0.00 O ATOM 0 H SER A 38 2.760 -8.771 4.599 1.00 0.00 H new ATOM 0 HA SER A 38 0.129 -9.623 5.128 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.122 -10.948 2.814 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.133 -9.503 2.885 1.00 0.00 H new ATOM 0 HG SER A 38 2.045 -9.011 1.786 1.00 0.00 H new ATOM 361 N GLY A 39 0.138 -12.018 5.751 1.00 0.00 N ATOM 362 CA GLY A 39 0.171 -13.391 6.224 1.00 0.00 C ATOM 363 C GLY A 39 -1.024 -14.198 5.758 1.00 0.00 C ATOM 364 O GLY A 39 -1.636 -14.922 6.543 1.00 0.00 O ATOM 0 H GLY A 39 -0.759 -11.546 5.864 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.086 -13.869 5.875 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.205 -13.395 7.313 1.00 0.00 H new ATOM 368 N TRP A 40 -1.357 -14.076 4.478 1.00 0.00 N ATOM 369 CA TRP A 40 -2.487 -14.803 3.910 1.00 0.00 C ATOM 370 C TRP A 40 -2.019 -15.833 2.887 1.00 0.00 C ATOM 371 O TRP A 40 -0.825 -16.106 2.766 1.00 0.00 O ATOM 372 CB TRP A 40 -3.484 -13.838 3.263 1.00 0.00 C ATOM 373 CG TRP A 40 -2.847 -12.727 2.487 1.00 0.00 C ATOM 374 CD1 TRP A 40 -1.636 -12.739 1.853 1.00 0.00 C ATOM 375 CD2 TRP A 40 -3.405 -11.434 2.258 1.00 0.00 C ATOM 376 NE1 TRP A 40 -1.407 -11.521 1.255 1.00 0.00 N ATOM 377 CE2 TRP A 40 -2.482 -10.705 1.488 1.00 0.00 C ATOM 378 CE3 TRP A 40 -4.599 -10.825 2.637 1.00 0.00 C ATOM 379 CZ2 TRP A 40 -2.719 -9.391 1.089 1.00 0.00 C ATOM 380 CZ3 TRP A 40 -4.837 -9.521 2.241 1.00 0.00 C ATOM 381 CH2 TRP A 40 -3.901 -8.817 1.474 1.00 0.00 C ATOM 0 H TRP A 40 -0.861 -13.481 3.814 1.00 0.00 H new ATOM 0 HA TRP A 40 -2.985 -15.328 4.725 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.139 -14.401 2.598 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -4.114 -13.408 4.042 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -0.959 -13.580 1.826 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -0.573 -11.267 0.725 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -5.326 -11.361 3.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.998 -8.846 0.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.760 -9.038 2.528 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.116 -7.800 1.180 1.00 0.00 H new ATOM 392 N GLY A 41 -2.970 -16.405 2.156 1.00 0.00 N ATOM 393 CA GLY A 41 -2.639 -17.403 1.155 1.00 0.00 C ATOM 394 C GLY A 41 -2.807 -16.889 -0.261 1.00 0.00 C ATOM 395 O GLY A 41 -3.588 -17.437 -1.038 1.00 0.00 O ATOM 0 H GLY A 41 -3.965 -16.195 2.239 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.609 -17.729 1.299 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.273 -18.278 1.297 1.00 0.00 H new ATOM 399 N SER A 42 -2.071 -15.834 -0.597 1.00 0.00 N ATOM 400 CA SER A 42 -2.143 -15.248 -1.929 1.00 0.00 C ATOM 401 C SER A 42 -0.934 -14.359 -2.197 1.00 0.00 C ATOM 402 O SER A 42 -0.348 -13.797 -1.272 1.00 0.00 O ATOM 403 CB SER A 42 -3.434 -14.443 -2.086 1.00 0.00 C ATOM 404 OG SER A 42 -4.570 -15.290 -2.060 1.00 0.00 O ATOM 0 H SER A 42 -1.419 -15.369 0.035 1.00 0.00 H new ATOM 0 HA SER A 42 -2.141 -16.059 -2.658 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.507 -13.707 -1.285 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.410 -13.891 -3.025 1.00 0.00 H new ATOM 0 HG SER A 42 -4.281 -16.222 -1.964 1.00 0.00 H new ATOM 410 N ILE A 43 -0.561 -14.245 -3.471 1.00 0.00 N ATOM 411 CA ILE A 43 0.585 -13.433 -3.878 1.00 0.00 C ATOM 412 C ILE A 43 1.792 -13.688 -2.974 1.00 0.00 C ATOM 413 O ILE A 43 1.795 -14.627 -2.178 1.00 0.00 O ATOM 414 CB ILE A 43 0.263 -11.920 -3.881 1.00 0.00 C ATOM 415 CG1 ILE A 43 -1.247 -11.676 -3.898 1.00 0.00 C ATOM 416 CG2 ILE A 43 0.919 -11.243 -5.078 1.00 0.00 C ATOM 417 CD1 ILE A 43 -1.838 -11.514 -2.519 1.00 0.00 C ATOM 0 H ILE A 43 -1.039 -14.708 -4.244 1.00 0.00 H new ATOM 0 HA ILE A 43 0.823 -13.734 -4.898 1.00 0.00 H new ATOM 0 HB ILE A 43 0.665 -11.488 -2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.457 -10.781 -4.484 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.738 -12.509 -4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.684 -10.179 -5.068 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.999 -11.377 -5.025 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.543 -11.689 -5.999 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.912 -11.344 -2.601 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.657 -12.418 -1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.373 -10.663 -2.021 1.00 0.00 H new ATOM 429 N LEU A 44 2.815 -12.849 -3.101 1.00 0.00 N ATOM 430 CA LEU A 44 4.022 -12.990 -2.292 1.00 0.00 C ATOM 431 C LEU A 44 3.964 -12.081 -1.066 1.00 0.00 C ATOM 432 O LEU A 44 3.965 -10.855 -1.193 1.00 0.00 O ATOM 433 CB LEU A 44 5.262 -12.659 -3.126 1.00 0.00 C ATOM 434 CG LEU A 44 5.125 -11.432 -4.030 1.00 0.00 C ATOM 435 CD1 LEU A 44 6.373 -10.567 -3.953 1.00 0.00 C ATOM 436 CD2 LEU A 44 4.857 -11.857 -5.467 1.00 0.00 C ATOM 0 H LEU A 44 2.833 -12.066 -3.754 1.00 0.00 H new ATOM 0 HA LEU A 44 4.084 -14.025 -1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.104 -12.502 -2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.506 -13.522 -3.745 1.00 0.00 H new ATOM 0 HG LEU A 44 4.278 -10.841 -3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.255 -9.700 -4.603 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.522 -10.233 -2.926 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.238 -11.147 -4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.762 -10.972 -6.096 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.684 -12.470 -5.825 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.933 -12.433 -5.510 1.00 0.00 H new ATOM 448 N PRO A 45 3.913 -12.665 0.145 1.00 0.00 N ATOM 449 CA PRO A 45 3.855 -11.894 1.392 1.00 0.00 C ATOM 450 C PRO A 45 4.943 -10.827 1.467 1.00 0.00 C ATOM 451 O PRO A 45 6.117 -11.105 1.214 1.00 0.00 O ATOM 452 CB PRO A 45 4.073 -12.953 2.474 1.00 0.00 C ATOM 453 CG PRO A 45 3.590 -14.222 1.863 1.00 0.00 C ATOM 454 CD PRO A 45 3.906 -14.120 0.396 1.00 0.00 C ATOM 0 HA PRO A 45 2.916 -11.350 1.490 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.124 -13.023 2.754 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.517 -12.713 3.381 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.085 -15.084 2.310 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.520 -14.350 2.024 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.869 -14.572 0.161 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.158 -14.629 -0.212 1.00 0.00 H new ATOM 462 N THR A 46 4.549 -9.607 1.820 1.00 0.00 N ATOM 463 CA THR A 46 5.495 -8.502 1.932 1.00 0.00 C ATOM 464 C THR A 46 4.937 -7.382 2.807 1.00 0.00 C ATOM 465 O THR A 46 5.533 -7.021 3.821 1.00 0.00 O ATOM 466 CB THR A 46 5.850 -7.959 0.545 1.00 0.00 C ATOM 467 OG1 THR A 46 6.480 -6.694 0.648 1.00 0.00 O ATOM 468 CG2 THR A 46 4.653 -7.798 -0.369 1.00 0.00 C ATOM 0 H THR A 46 3.583 -9.359 2.033 1.00 0.00 H new ATOM 0 HA THR A 46 6.399 -8.884 2.406 1.00 0.00 H new ATOM 0 HB THR A 46 6.517 -8.704 0.112 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.125 -6.709 1.386 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.981 -7.409 -1.333 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.172 -8.766 -0.512 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.943 -7.103 0.080 1.00 0.00 H new ATOM 476 N VAL A 47 3.791 -6.834 2.410 1.00 0.00 N ATOM 477 CA VAL A 47 3.160 -5.754 3.163 1.00 0.00 C ATOM 478 C VAL A 47 1.681 -5.624 2.811 1.00 0.00 C ATOM 479 O VAL A 47 1.256 -6.001 1.720 1.00 0.00 O ATOM 480 CB VAL A 47 3.852 -4.400 2.911 1.00 0.00 C ATOM 481 CG1 VAL A 47 4.962 -4.171 3.925 1.00 0.00 C ATOM 482 CG2 VAL A 47 4.391 -4.322 1.491 1.00 0.00 C ATOM 0 H VAL A 47 3.282 -7.119 1.573 1.00 0.00 H new ATOM 0 HA VAL A 47 3.262 -6.013 4.217 1.00 0.00 H new ATOM 0 HB VAL A 47 3.110 -3.610 3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.439 -3.210 3.731 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.542 -4.171 4.931 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.702 -4.967 3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.875 -3.357 1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.116 -5.121 1.333 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.569 -4.432 0.783 1.00 0.00 H new ATOM 492 N ILE A 48 0.909 -5.073 3.740 1.00 0.00 N ATOM 493 CA ILE A 48 -0.522 -4.872 3.535 1.00 0.00 C ATOM 494 C ILE A 48 -0.961 -3.537 4.107 1.00 0.00 C ATOM 495 O ILE A 48 -0.918 -3.348 5.319 1.00 0.00 O ATOM 496 CB ILE A 48 -1.401 -5.952 4.212 1.00 0.00 C ATOM 497 CG1 ILE A 48 -0.619 -7.221 4.548 1.00 0.00 C ATOM 498 CG2 ILE A 48 -2.594 -6.284 3.338 1.00 0.00 C ATOM 499 CD1 ILE A 48 -0.920 -7.727 5.943 1.00 0.00 C ATOM 0 H ILE A 48 1.251 -4.756 4.647 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.662 -4.922 2.455 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.749 -5.533 5.156 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.861 -7.997 3.822 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.449 -7.022 4.458 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.203 -7.045 3.827 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.192 -5.386 3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.247 -6.660 2.376 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.341 -8.630 6.135 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.653 -6.963 6.673 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.983 -7.953 6.027 1.00 0.00 H new ATOM 511 N ILE A 49 -1.416 -2.630 3.249 1.00 0.00 N ATOM 512 CA ILE A 49 -1.899 -1.333 3.711 1.00 0.00 C ATOM 513 C ILE A 49 -3.073 -1.542 4.657 1.00 0.00 C ATOM 514 O ILE A 49 -4.226 -1.293 4.305 1.00 0.00 O ATOM 515 CB ILE A 49 -2.346 -0.441 2.541 1.00 0.00 C ATOM 516 CG1 ILE A 49 -1.205 -0.251 1.542 1.00 0.00 C ATOM 517 CG2 ILE A 49 -2.837 0.907 3.049 1.00 0.00 C ATOM 518 CD1 ILE A 49 -1.685 0.013 0.133 1.00 0.00 C ATOM 0 H ILE A 49 -1.461 -2.766 2.239 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.078 -0.832 4.223 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.172 -0.938 2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.580 0.581 1.868 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.577 -1.142 1.544 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.148 1.522 2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.683 0.757 3.720 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.032 1.409 3.586 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.826 0.139 -0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.286 -0.829 -0.210 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.289 0.920 0.118 1.00 0.00 H new ATOM 530 N ALA A 50 -2.771 -2.024 5.854 1.00 0.00 N ATOM 531 CA ALA A 50 -3.794 -2.292 6.847 1.00 0.00 C ATOM 532 C ALA A 50 -4.643 -1.050 7.103 1.00 0.00 C ATOM 533 O ALA A 50 -5.791 -1.147 7.536 1.00 0.00 O ATOM 534 CB ALA A 50 -3.158 -2.793 8.134 1.00 0.00 C ATOM 0 H ALA A 50 -1.821 -2.237 6.159 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.454 -3.070 6.464 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.936 -2.991 8.871 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.606 -3.711 7.934 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.475 -2.037 8.521 1.00 0.00 H new ATOM 540 N ASN A 51 -4.067 0.116 6.826 1.00 0.00 N ATOM 541 CA ASN A 51 -4.762 1.377 7.013 1.00 0.00 C ATOM 542 C ASN A 51 -4.109 2.468 6.167 1.00 0.00 C ATOM 543 O ASN A 51 -3.008 2.291 5.647 1.00 0.00 O ATOM 544 CB ASN A 51 -4.774 1.748 8.509 1.00 0.00 C ATOM 545 CG ASN A 51 -4.591 3.232 8.773 1.00 0.00 C ATOM 546 OD1 ASN A 51 -5.518 3.916 9.208 1.00 0.00 O ATOM 547 ND2 ASN A 51 -3.392 3.733 8.509 1.00 0.00 N ATOM 0 H ASN A 51 -3.116 0.209 6.470 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.796 1.277 6.682 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.718 1.424 8.947 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.982 1.198 9.017 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.208 4.724 8.665 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.654 3.127 8.150 1.00 0.00 H new ATOM 554 N MET A 52 -4.802 3.590 6.028 1.00 0.00 N ATOM 555 CA MET A 52 -4.303 4.709 5.242 1.00 0.00 C ATOM 556 C MET A 52 -4.914 6.022 5.728 1.00 0.00 C ATOM 557 O MET A 52 -6.110 6.094 6.007 1.00 0.00 O ATOM 558 CB MET A 52 -4.616 4.482 3.765 1.00 0.00 C ATOM 559 CG MET A 52 -4.462 5.724 2.899 1.00 0.00 C ATOM 560 SD MET A 52 -4.917 5.434 1.178 1.00 0.00 S ATOM 561 CE MET A 52 -6.186 4.189 1.374 1.00 0.00 C ATOM 0 H MET A 52 -5.716 3.749 6.452 1.00 0.00 H new ATOM 0 HA MET A 52 -3.222 4.775 5.367 1.00 0.00 H new ATOM 0 HB2 MET A 52 -3.959 3.701 3.381 1.00 0.00 H new ATOM 0 HB3 MET A 52 -5.638 4.113 3.674 1.00 0.00 H new ATOM 0 HG2 MET A 52 -5.082 6.524 3.304 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.429 6.068 2.944 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.795 4.145 0.471 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.720 3.219 1.545 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.817 4.444 2.225 1.00 0.00 H new ATOM 571 N MET A 53 -4.084 7.054 5.830 1.00 0.00 N ATOM 572 CA MET A 53 -4.544 8.362 6.286 1.00 0.00 C ATOM 573 C MET A 53 -5.694 8.870 5.424 1.00 0.00 C ATOM 574 O MET A 53 -5.533 9.090 4.223 1.00 0.00 O ATOM 575 CB MET A 53 -3.389 9.367 6.267 1.00 0.00 C ATOM 576 CG MET A 53 -3.257 10.167 7.552 1.00 0.00 C ATOM 577 SD MET A 53 -1.540 10.440 8.029 1.00 0.00 S ATOM 578 CE MET A 53 -1.180 8.910 8.889 1.00 0.00 C ATOM 0 H MET A 53 -3.090 7.011 5.604 1.00 0.00 H new ATOM 0 HA MET A 53 -4.906 8.255 7.309 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.457 8.833 6.084 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.531 10.055 5.434 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.753 11.130 7.428 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.774 9.643 8.356 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.273 9.031 9.482 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.012 8.657 9.546 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.035 8.110 8.163 1.00 0.00 H new ATOM 588 N HIS A 54 -6.854 9.057 6.045 1.00 0.00 N ATOM 589 CA HIS A 54 -8.033 9.541 5.335 1.00 0.00 C ATOM 590 C HIS A 54 -7.792 10.942 4.780 1.00 0.00 C ATOM 591 O HIS A 54 -8.171 11.938 5.394 1.00 0.00 O ATOM 592 CB HIS A 54 -9.247 9.550 6.267 1.00 0.00 C ATOM 593 CG HIS A 54 -10.547 9.765 5.556 1.00 0.00 C ATOM 594 ND1 HIS A 54 -11.162 8.788 4.802 1.00 0.00 N ATOM 595 CD2 HIS A 54 -11.350 10.854 5.489 1.00 0.00 C ATOM 596 CE1 HIS A 54 -12.287 9.267 4.300 1.00 0.00 C ATOM 597 NE2 HIS A 54 -12.425 10.516 4.704 1.00 0.00 N ATOM 0 H HIS A 54 -7.003 8.881 7.039 1.00 0.00 H new ATOM 0 HA HIS A 54 -8.230 8.867 4.502 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.289 8.603 6.805 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -9.116 10.334 7.013 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -11.177 11.809 5.964 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -12.976 8.728 3.667 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -13.205 11.131 4.471 1.00 0.00 H new ATOM 606 N GLY A 55 -7.155 11.007 3.615 1.00 0.00 N ATOM 607 CA GLY A 55 -6.869 12.289 2.996 1.00 0.00 C ATOM 608 C GLY A 55 -5.379 12.557 2.872 1.00 0.00 C ATOM 609 O GLY A 55 -4.974 13.615 2.392 1.00 0.00 O ATOM 0 H GLY A 55 -6.832 10.195 3.089 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.324 12.320 2.006 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.330 13.083 3.583 1.00 0.00 H new ATOM 613 N GLY A 56 -4.563 11.599 3.305 1.00 0.00 N ATOM 614 CA GLY A 56 -3.124 11.761 3.227 1.00 0.00 C ATOM 615 C GLY A 56 -2.583 11.477 1.839 1.00 0.00 C ATOM 616 O GLY A 56 -3.350 11.180 0.923 1.00 0.00 O ATOM 0 H GLY A 56 -4.874 10.715 3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.860 12.778 3.515 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.647 11.092 3.943 1.00 0.00 H new ATOM 620 N PRO A 57 -1.256 11.563 1.650 1.00 0.00 N ATOM 621 CA PRO A 57 -0.624 11.313 0.350 1.00 0.00 C ATOM 622 C PRO A 57 -1.116 10.028 -0.309 1.00 0.00 C ATOM 623 O PRO A 57 -1.512 10.035 -1.475 1.00 0.00 O ATOM 624 CB PRO A 57 0.860 11.210 0.701 1.00 0.00 C ATOM 625 CG PRO A 57 1.013 12.070 1.906 1.00 0.00 C ATOM 626 CD PRO A 57 -0.266 11.917 2.685 1.00 0.00 C ATOM 0 HA PRO A 57 -0.854 12.095 -0.374 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.149 10.180 0.908 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.488 11.559 -0.119 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.872 11.760 2.501 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.178 13.110 1.625 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.183 11.140 3.445 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.535 12.839 3.200 1.00 0.00 H new ATOM 634 N ALA A 58 -1.089 8.927 0.435 1.00 0.00 N ATOM 635 CA ALA A 58 -1.531 7.645 -0.095 1.00 0.00 C ATOM 636 C ALA A 58 -2.977 7.725 -0.569 1.00 0.00 C ATOM 637 O ALA A 58 -3.324 7.201 -1.628 1.00 0.00 O ATOM 638 CB ALA A 58 -1.372 6.548 0.949 1.00 0.00 C ATOM 0 H ALA A 58 -0.767 8.898 1.402 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.904 7.398 -0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.708 5.598 0.533 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.323 6.468 1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.971 6.792 1.827 1.00 0.00 H new ATOM 644 N GLU A 59 -3.815 8.391 0.217 1.00 0.00 N ATOM 645 CA GLU A 59 -5.218 8.550 -0.130 1.00 0.00 C ATOM 646 C GLU A 59 -5.386 9.585 -1.236 1.00 0.00 C ATOM 647 O GLU A 59 -6.359 9.555 -1.990 1.00 0.00 O ATOM 648 CB GLU A 59 -6.026 8.957 1.105 1.00 0.00 C ATOM 649 CG GLU A 59 -7.499 9.189 0.818 1.00 0.00 C ATOM 650 CD GLU A 59 -8.402 8.595 1.881 1.00 0.00 C ATOM 651 OE1 GLU A 59 -8.222 7.407 2.218 1.00 0.00 O ATOM 652 OE2 GLU A 59 -9.291 9.320 2.376 1.00 0.00 O ATOM 0 H GLU A 59 -3.545 8.829 1.098 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.592 7.594 -0.496 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.930 8.180 1.864 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.598 9.867 1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.687 10.260 0.745 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.749 8.755 -0.150 1.00 0.00 H new ATOM 659 N LYS A 60 -4.431 10.501 -1.321 1.00 0.00 N ATOM 660 CA LYS A 60 -4.462 11.552 -2.329 1.00 0.00 C ATOM 661 C LYS A 60 -4.303 10.968 -3.728 1.00 0.00 C ATOM 662 O LYS A 60 -5.078 11.277 -4.632 1.00 0.00 O ATOM 663 CB LYS A 60 -3.356 12.576 -2.062 1.00 0.00 C ATOM 664 CG LYS A 60 -3.802 13.739 -1.193 1.00 0.00 C ATOM 665 CD LYS A 60 -3.171 15.045 -1.645 1.00 0.00 C ATOM 666 CE LYS A 60 -1.727 15.157 -1.182 1.00 0.00 C ATOM 667 NZ LYS A 60 -0.856 15.770 -2.222 1.00 0.00 N ATOM 0 H LYS A 60 -3.622 10.537 -0.701 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.430 12.049 -2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.516 12.075 -1.581 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.993 12.963 -3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.888 13.826 -1.229 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.533 13.543 -0.155 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.212 15.113 -2.732 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.746 15.883 -1.252 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.683 15.756 -0.272 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.349 14.166 -0.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.136 15.082 -2.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.434 16.044 -3.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.389 16.613 -1.831 1.00 0.00 H new ATOM 681 N SER A 61 -3.295 10.117 -3.898 1.00 0.00 N ATOM 682 CA SER A 61 -3.032 9.481 -5.181 1.00 0.00 C ATOM 683 C SER A 61 -4.285 8.802 -5.725 1.00 0.00 C ATOM 684 O SER A 61 -4.567 8.862 -6.922 1.00 0.00 O ATOM 685 CB SER A 61 -1.909 8.454 -5.039 1.00 0.00 C ATOM 686 OG SER A 61 -0.641 9.083 -5.070 1.00 0.00 O ATOM 0 H SER A 61 -2.645 9.852 -3.158 1.00 0.00 H new ATOM 0 HA SER A 61 -2.728 10.256 -5.884 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.026 7.909 -4.102 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.976 7.722 -5.844 1.00 0.00 H new ATOM 0 HG SER A 61 -0.328 9.143 -5.997 1.00 0.00 H new ATOM 692 N GLY A 62 -5.029 8.152 -4.839 1.00 0.00 N ATOM 693 CA GLY A 62 -6.237 7.463 -5.249 1.00 0.00 C ATOM 694 C GLY A 62 -5.951 6.080 -5.805 1.00 0.00 C ATOM 695 O GLY A 62 -6.833 5.440 -6.380 1.00 0.00 O ATOM 0 H GLY A 62 -4.817 8.090 -3.843 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.911 7.377 -4.396 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.752 8.056 -6.004 1.00 0.00 H new ATOM 699 N LYS A 63 -4.715 5.616 -5.632 1.00 0.00 N ATOM 700 CA LYS A 63 -4.313 4.303 -6.117 1.00 0.00 C ATOM 701 C LYS A 63 -4.206 3.309 -4.967 1.00 0.00 C ATOM 702 O LYS A 63 -4.733 2.200 -5.040 1.00 0.00 O ATOM 703 CB LYS A 63 -2.970 4.395 -6.845 1.00 0.00 C ATOM 704 CG LYS A 63 -3.033 5.175 -8.146 1.00 0.00 C ATOM 705 CD LYS A 63 -2.858 6.663 -7.911 1.00 0.00 C ATOM 706 CE LYS A 63 -3.496 7.477 -9.022 1.00 0.00 C ATOM 707 NZ LYS A 63 -2.848 8.807 -9.184 1.00 0.00 N ATOM 0 H LYS A 63 -3.975 6.134 -5.158 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.076 3.952 -6.812 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.241 4.865 -6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.610 3.387 -7.053 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.257 4.819 -8.823 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.990 4.993 -8.635 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.304 6.937 -6.955 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.796 6.901 -7.847 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.429 6.925 -9.960 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.556 7.614 -8.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.157 9.237 -10.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.119 9.424 -8.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.815 8.691 -9.195 1.00 0.00 H new ATOM 721 N LEU A 64 -3.514 3.716 -3.906 1.00 0.00 N ATOM 722 CA LEU A 64 -3.332 2.860 -2.742 1.00 0.00 C ATOM 723 C LEU A 64 -4.585 2.833 -1.874 1.00 0.00 C ATOM 724 O LEU A 64 -5.018 3.861 -1.354 1.00 0.00 O ATOM 725 CB LEU A 64 -2.138 3.333 -1.910 1.00 0.00 C ATOM 726 CG LEU A 64 -0.773 2.820 -2.373 1.00 0.00 C ATOM 727 CD1 LEU A 64 0.320 3.271 -1.418 1.00 0.00 C ATOM 728 CD2 LEU A 64 -0.779 1.302 -2.497 1.00 0.00 C ATOM 0 H LEU A 64 -3.072 4.632 -3.830 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.141 1.849 -3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.120 4.423 -1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.292 3.024 -0.876 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.568 3.242 -3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.283 2.896 -1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.346 4.360 -1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.116 2.881 -0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.202 0.960 -2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.010 0.859 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.533 0.999 -3.224 1.00 0.00 H new ATOM 740 N ASN A 65 -5.156 1.645 -1.718 1.00 0.00 N ATOM 741 CA ASN A 65 -6.354 1.468 -0.909 1.00 0.00 C ATOM 742 C ASN A 65 -6.112 0.425 0.176 1.00 0.00 C ATOM 743 O ASN A 65 -5.515 -0.620 -0.083 1.00 0.00 O ATOM 744 CB ASN A 65 -7.536 1.044 -1.785 1.00 0.00 C ATOM 745 CG ASN A 65 -7.609 1.827 -3.081 1.00 0.00 C ATOM 746 OD1 ASN A 65 -8.128 2.942 -3.118 1.00 0.00 O ATOM 747 ND2 ASN A 65 -7.090 1.242 -4.155 1.00 0.00 N ATOM 0 H ASN A 65 -4.806 0.787 -2.144 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.592 2.421 -0.437 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.454 -0.019 -2.011 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.463 1.181 -1.229 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.112 1.719 -5.056 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.669 0.316 -4.078 1.00 0.00 H new ATOM 754 N ILE A 66 -6.574 0.715 1.391 1.00 0.00 N ATOM 755 CA ILE A 66 -6.406 -0.197 2.519 1.00 0.00 C ATOM 756 C ILE A 66 -6.627 -1.653 2.105 1.00 0.00 C ATOM 757 O ILE A 66 -7.751 -2.060 1.806 1.00 0.00 O ATOM 758 CB ILE A 66 -7.372 0.164 3.663 1.00 0.00 C ATOM 759 CG1 ILE A 66 -6.906 1.447 4.343 1.00 0.00 C ATOM 760 CG2 ILE A 66 -7.467 -0.971 4.677 1.00 0.00 C ATOM 761 CD1 ILE A 66 -7.756 1.842 5.524 1.00 0.00 C ATOM 0 H ILE A 66 -7.069 1.577 1.619 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.379 -0.089 2.867 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.365 0.321 3.243 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.875 1.321 4.673 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.910 2.258 3.614 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.155 -0.690 5.474 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.832 -1.871 4.182 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.481 -1.164 5.100 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.368 2.763 5.960 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -8.783 2.000 5.196 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.732 1.049 6.271 1.00 0.00 H new ATOM 773 N GLY A 67 -5.550 -2.433 2.093 1.00 0.00 N ATOM 774 CA GLY A 67 -5.651 -3.832 1.718 1.00 0.00 C ATOM 775 C GLY A 67 -4.739 -4.208 0.563 1.00 0.00 C ATOM 776 O GLY A 67 -4.554 -5.390 0.276 1.00 0.00 O ATOM 0 H GLY A 67 -4.610 -2.121 2.336 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.408 -4.452 2.581 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.683 -4.055 1.446 1.00 0.00 H new ATOM 780 N ASP A 68 -4.160 -3.208 -0.102 1.00 0.00 N ATOM 781 CA ASP A 68 -3.264 -3.466 -1.224 1.00 0.00 C ATOM 782 C ASP A 68 -1.940 -4.028 -0.740 1.00 0.00 C ATOM 783 O ASP A 68 -1.352 -3.520 0.214 1.00 0.00 O ATOM 784 CB ASP A 68 -3.035 -2.201 -2.042 1.00 0.00 C ATOM 785 CG ASP A 68 -4.332 -1.518 -2.431 1.00 0.00 C ATOM 786 OD1 ASP A 68 -5.411 -2.059 -2.106 1.00 0.00 O ATOM 787 OD2 ASP A 68 -4.269 -0.442 -3.060 1.00 0.00 O ATOM 0 H ASP A 68 -4.295 -2.221 0.116 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.740 -4.207 -1.866 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.421 -1.507 -1.468 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.475 -2.451 -2.943 1.00 0.00 H new ATOM 792 N GLN A 69 -1.468 -5.080 -1.403 1.00 0.00 N ATOM 793 CA GLN A 69 -0.206 -5.694 -1.025 1.00 0.00 C ATOM 794 C GLN A 69 0.944 -5.001 -1.738 1.00 0.00 C ATOM 795 O GLN A 69 1.402 -5.450 -2.787 1.00 0.00 O ATOM 796 CB GLN A 69 -0.210 -7.190 -1.346 1.00 0.00 C ATOM 797 CG GLN A 69 1.050 -7.910 -0.894 1.00 0.00 C ATOM 798 CD GLN A 69 1.205 -9.275 -1.533 1.00 0.00 C ATOM 799 OE1 GLN A 69 1.381 -9.389 -2.746 1.00 0.00 O ATOM 800 NE2 GLN A 69 1.142 -10.320 -0.717 1.00 0.00 N ATOM 0 H GLN A 69 -1.937 -5.519 -2.196 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.075 -5.580 0.051 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.074 -7.653 -0.870 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.329 -7.323 -2.421 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.919 -7.299 -1.137 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.031 -8.021 0.190 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.995 -10.179 0.282 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.241 -11.264 -1.089 1.00 0.00 H new ATOM 809 N ILE A 70 1.399 -3.894 -1.165 1.00 0.00 N ATOM 810 CA ILE A 70 2.488 -3.123 -1.752 1.00 0.00 C ATOM 811 C ILE A 70 3.689 -4.020 -2.049 1.00 0.00 C ATOM 812 O ILE A 70 3.960 -4.968 -1.313 1.00 0.00 O ATOM 813 CB ILE A 70 2.927 -1.971 -0.823 1.00 0.00 C ATOM 814 CG1 ILE A 70 1.694 -1.268 -0.229 1.00 0.00 C ATOM 815 CG2 ILE A 70 3.809 -0.987 -1.580 1.00 0.00 C ATOM 816 CD1 ILE A 70 1.964 0.139 0.265 1.00 0.00 C ATOM 0 H ILE A 70 1.031 -3.510 -0.295 1.00 0.00 H new ATOM 0 HA ILE A 70 2.116 -2.698 -2.684 1.00 0.00 H new ATOM 0 HB ILE A 70 3.512 -2.383 -0.000 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.910 -1.232 -0.985 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.312 -1.865 0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.111 -0.180 -0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.695 -1.503 -1.950 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.253 -0.573 -2.421 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.046 0.565 0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.725 0.111 1.045 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.316 0.754 -0.563 1.00 0.00 H new ATOM 828 N MET A 71 4.397 -3.730 -3.135 1.00 0.00 N ATOM 829 CA MET A 71 5.552 -4.536 -3.523 1.00 0.00 C ATOM 830 C MET A 71 6.864 -3.784 -3.315 1.00 0.00 C ATOM 831 O MET A 71 7.849 -4.364 -2.857 1.00 0.00 O ATOM 832 CB MET A 71 5.428 -4.976 -4.981 1.00 0.00 C ATOM 833 CG MET A 71 4.265 -5.921 -5.232 1.00 0.00 C ATOM 834 SD MET A 71 4.753 -7.655 -5.157 1.00 0.00 S ATOM 835 CE MET A 71 3.639 -8.267 -3.895 1.00 0.00 C ATOM 0 H MET A 71 4.195 -2.949 -3.759 1.00 0.00 H new ATOM 0 HA MET A 71 5.566 -5.416 -2.880 1.00 0.00 H new ATOM 0 HB2 MET A 71 5.311 -4.093 -5.610 1.00 0.00 H new ATOM 0 HB3 MET A 71 6.354 -5.464 -5.285 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.484 -5.735 -4.494 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.835 -5.710 -6.211 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.217 -8.696 -3.077 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.030 -7.445 -3.517 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.991 -9.032 -4.322 1.00 0.00 H new ATOM 845 N SER A 72 6.886 -2.500 -3.661 1.00 0.00 N ATOM 846 CA SER A 72 8.100 -1.704 -3.508 1.00 0.00 C ATOM 847 C SER A 72 7.789 -0.212 -3.513 1.00 0.00 C ATOM 848 O SER A 72 6.752 0.212 -4.018 1.00 0.00 O ATOM 849 CB SER A 72 9.088 -2.031 -4.629 1.00 0.00 C ATOM 850 OG SER A 72 8.641 -1.514 -5.871 1.00 0.00 O ATOM 0 H SER A 72 6.088 -1.993 -4.044 1.00 0.00 H new ATOM 0 HA SER A 72 8.546 -1.956 -2.546 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.066 -1.614 -4.389 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.212 -3.111 -4.705 1.00 0.00 H new ATOM 0 HG SER A 72 9.291 -1.735 -6.570 1.00 0.00 H new ATOM 856 N ILE A 73 8.700 0.578 -2.952 1.00 0.00 N ATOM 857 CA ILE A 73 8.531 2.025 -2.892 1.00 0.00 C ATOM 858 C ILE A 73 9.691 2.746 -3.571 1.00 0.00 C ATOM 859 O ILE A 73 10.843 2.623 -3.151 1.00 0.00 O ATOM 860 CB ILE A 73 8.408 2.516 -1.442 1.00 0.00 C ATOM 861 CG1 ILE A 73 7.288 1.761 -0.732 1.00 0.00 C ATOM 862 CG2 ILE A 73 8.150 4.016 -1.407 1.00 0.00 C ATOM 863 CD1 ILE A 73 7.596 1.463 0.712 1.00 0.00 C ATOM 0 H ILE A 73 9.565 0.238 -2.532 1.00 0.00 H new ATOM 0 HA ILE A 73 7.608 2.257 -3.423 1.00 0.00 H new ATOM 0 HB ILE A 73 9.346 2.321 -0.923 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.371 2.348 -0.788 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.100 0.825 -1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 73 8.066 4.347 -0.372 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.976 4.539 -1.889 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.223 4.238 -1.936 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.760 0.925 1.159 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.496 0.851 0.773 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.756 2.397 1.250 1.00 0.00 H new ATOM 875 N ASN A 74 9.381 3.498 -4.624 1.00 0.00 N ATOM 876 CA ASN A 74 10.398 4.241 -5.368 1.00 0.00 C ATOM 877 C ASN A 74 11.546 3.326 -5.786 1.00 0.00 C ATOM 878 O ASN A 74 12.675 3.782 -5.977 1.00 0.00 O ATOM 879 CB ASN A 74 10.940 5.395 -4.522 1.00 0.00 C ATOM 880 CG ASN A 74 9.869 6.403 -4.159 1.00 0.00 C ATOM 881 OD1 ASN A 74 9.375 7.138 -5.014 1.00 0.00 O ATOM 882 ND2 ASN A 74 9.508 6.448 -2.881 1.00 0.00 N ATOM 0 H ASN A 74 8.433 3.610 -4.983 1.00 0.00 H new ATOM 0 HA ASN A 74 9.929 4.644 -6.266 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.382 4.995 -3.609 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.737 5.898 -5.069 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.795 7.110 -2.575 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.944 5.820 -2.206 1.00 0.00 H new ATOM 889 N GLY A 75 11.256 2.037 -5.920 1.00 0.00 N ATOM 890 CA GLY A 75 12.277 1.082 -6.306 1.00 0.00 C ATOM 891 C GLY A 75 12.831 0.311 -5.121 1.00 0.00 C ATOM 892 O GLY A 75 13.876 -0.331 -5.225 1.00 0.00 O ATOM 0 H GLY A 75 10.331 1.636 -5.768 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.859 0.381 -7.028 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.091 1.607 -6.806 1.00 0.00 H new ATOM 896 N THR A 76 12.129 0.373 -3.992 1.00 0.00 N ATOM 897 CA THR A 76 12.555 -0.325 -2.785 1.00 0.00 C ATOM 898 C THR A 76 11.653 -1.521 -2.507 1.00 0.00 C ATOM 899 O THR A 76 10.587 -1.384 -1.907 1.00 0.00 O ATOM 900 CB THR A 76 12.542 0.627 -1.592 1.00 0.00 C ATOM 901 OG1 THR A 76 13.216 1.833 -1.903 1.00 0.00 O ATOM 902 CG2 THR A 76 13.187 0.047 -0.352 1.00 0.00 C ATOM 0 H THR A 76 11.262 0.900 -3.889 1.00 0.00 H new ATOM 0 HA THR A 76 13.572 -0.687 -2.940 1.00 0.00 H new ATOM 0 HB THR A 76 11.488 0.807 -1.382 1.00 0.00 H new ATOM 0 HG1 THR A 76 12.615 2.424 -2.403 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.143 0.777 0.456 1.00 0.00 H new ATOM 0 HG22 THR A 76 12.656 -0.857 -0.054 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.228 -0.197 -0.564 1.00 0.00 H new ATOM 910 N SER A 77 12.086 -2.696 -2.954 1.00 0.00 N ATOM 911 CA SER A 77 11.317 -3.921 -2.761 1.00 0.00 C ATOM 912 C SER A 77 11.009 -4.153 -1.286 1.00 0.00 C ATOM 913 O SER A 77 11.892 -4.071 -0.434 1.00 0.00 O ATOM 914 CB SER A 77 12.081 -5.121 -3.329 1.00 0.00 C ATOM 915 OG SER A 77 11.197 -6.047 -3.937 1.00 0.00 O ATOM 0 H SER A 77 12.966 -2.826 -3.453 1.00 0.00 H new ATOM 0 HA SER A 77 10.372 -3.811 -3.294 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.812 -4.777 -4.061 1.00 0.00 H new ATOM 0 HB3 SER A 77 12.636 -5.614 -2.531 1.00 0.00 H new ATOM 0 HG SER A 77 11.709 -6.803 -4.293 1.00 0.00 H new ATOM 921 N LEU A 78 9.745 -4.447 -0.994 1.00 0.00 N ATOM 922 CA LEU A 78 9.313 -4.696 0.376 1.00 0.00 C ATOM 923 C LEU A 78 9.163 -6.192 0.648 1.00 0.00 C ATOM 924 O LEU A 78 8.783 -6.594 1.748 1.00 0.00 O ATOM 925 CB LEU A 78 7.989 -3.981 0.649 1.00 0.00 C ATOM 926 CG LEU A 78 8.094 -2.465 0.810 1.00 0.00 C ATOM 927 CD1 LEU A 78 6.740 -1.871 1.156 1.00 0.00 C ATOM 928 CD2 LEU A 78 9.122 -2.116 1.876 1.00 0.00 C ATOM 0 H LEU A 78 9.002 -4.518 -1.689 1.00 0.00 H new ATOM 0 HA LEU A 78 10.079 -4.305 1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.301 -4.198 -0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.549 -4.398 1.555 1.00 0.00 H new ATOM 0 HG LEU A 78 8.422 -2.037 -0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.834 -0.791 1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.031 -2.094 0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.382 -2.302 2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.186 -1.033 1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.822 -2.554 2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.096 -2.511 1.586 1.00 0.00 H new ATOM 940 N VAL A 79 9.461 -7.012 -0.357 1.00 0.00 N ATOM 941 CA VAL A 79 9.355 -8.458 -0.218 1.00 0.00 C ATOM 942 C VAL A 79 10.606 -9.039 0.433 1.00 0.00 C ATOM 943 O VAL A 79 11.728 -8.712 0.046 1.00 0.00 O ATOM 944 CB VAL A 79 9.143 -9.141 -1.581 1.00 0.00 C ATOM 945 CG1 VAL A 79 8.721 -10.591 -1.394 1.00 0.00 C ATOM 946 CG2 VAL A 79 8.113 -8.382 -2.407 1.00 0.00 C ATOM 0 H VAL A 79 9.777 -6.698 -1.275 1.00 0.00 H new ATOM 0 HA VAL A 79 8.490 -8.651 0.417 1.00 0.00 H new ATOM 0 HB VAL A 79 10.089 -9.129 -2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 79 8.576 -11.056 -2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.496 -11.128 -0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 79 7.788 -10.629 -0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 79 7.977 -8.881 -3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 79 7.163 -8.359 -1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 79 8.460 -7.362 -2.574 1.00 0.00 H new ATOM 956 N GLY A 80 10.405 -9.903 1.422 1.00 0.00 N ATOM 957 CA GLY A 80 11.528 -10.514 2.107 1.00 0.00 C ATOM 958 C GLY A 80 11.910 -9.776 3.374 1.00 0.00 C ATOM 959 O GLY A 80 12.511 -10.355 4.279 1.00 0.00 O ATOM 0 H GLY A 80 9.487 -10.190 1.761 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.280 -11.547 2.353 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.386 -10.543 1.435 1.00 0.00 H new ATOM 963 N LEU A 81 11.563 -8.495 3.444 1.00 0.00 N ATOM 964 CA LEU A 81 11.877 -7.687 4.616 1.00 0.00 C ATOM 965 C LEU A 81 10.675 -7.601 5.556 1.00 0.00 C ATOM 966 O LEU A 81 9.534 -7.477 5.110 1.00 0.00 O ATOM 967 CB LEU A 81 12.322 -6.280 4.204 1.00 0.00 C ATOM 968 CG LEU A 81 11.609 -5.693 2.983 1.00 0.00 C ATOM 969 CD1 LEU A 81 11.566 -4.175 3.073 1.00 0.00 C ATOM 970 CD2 LEU A 81 12.304 -6.134 1.702 1.00 0.00 C ATOM 0 H LEU A 81 11.066 -7.996 2.706 1.00 0.00 H new ATOM 0 HA LEU A 81 12.698 -8.172 5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.170 -5.608 5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.393 -6.301 4.002 1.00 0.00 H new ATOM 0 HG LEU A 81 10.585 -6.065 2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.056 -3.773 2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.029 -3.879 3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.583 -3.784 3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.786 -5.709 0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.337 -5.787 1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.287 -7.222 1.635 1.00 0.00 H new ATOM 982 N PRO A 82 10.916 -7.667 6.879 1.00 0.00 N ATOM 983 CA PRO A 82 9.847 -7.600 7.882 1.00 0.00 C ATOM 984 C PRO A 82 9.164 -6.237 7.906 1.00 0.00 C ATOM 985 O PRO A 82 9.538 -5.331 7.163 1.00 0.00 O ATOM 986 CB PRO A 82 10.573 -7.857 9.205 1.00 0.00 C ATOM 987 CG PRO A 82 11.990 -7.481 8.943 1.00 0.00 C ATOM 988 CD PRO A 82 12.245 -7.816 7.501 1.00 0.00 C ATOM 0 HA PRO A 82 9.052 -8.317 7.675 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.148 -7.259 10.011 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.490 -8.902 9.505 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.154 -6.420 9.132 1.00 0.00 H new ATOM 0 HG3 PRO A 82 12.667 -8.030 9.597 1.00 0.00 H new ATOM 0 HD2 PRO A 82 12.976 -7.142 7.054 1.00 0.00 H new ATOM 0 HD3 PRO A 82 12.632 -8.828 7.385 1.00 0.00 H new ATOM 996 N LEU A 83 8.159 -6.100 8.767 1.00 0.00 N ATOM 997 CA LEU A 83 7.426 -4.846 8.886 1.00 0.00 C ATOM 998 C LEU A 83 8.334 -3.727 9.385 1.00 0.00 C ATOM 999 O LEU A 83 8.171 -2.570 9.006 1.00 0.00 O ATOM 1000 CB LEU A 83 6.232 -5.008 9.828 1.00 0.00 C ATOM 1001 CG LEU A 83 5.433 -3.729 10.086 1.00 0.00 C ATOM 1002 CD1 LEU A 83 5.084 -3.039 8.776 1.00 0.00 C ATOM 1003 CD2 LEU A 83 4.172 -4.039 10.879 1.00 0.00 C ATOM 0 H LEU A 83 7.836 -6.840 9.390 1.00 0.00 H new ATOM 0 HA LEU A 83 7.060 -4.578 7.895 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.561 -5.760 9.413 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.591 -5.393 10.783 1.00 0.00 H new ATOM 0 HG LEU A 83 6.052 -3.052 10.674 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.516 -2.132 8.983 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.000 -2.780 8.246 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.485 -3.710 8.160 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.616 -3.118 11.053 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.551 -4.737 10.317 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.444 -4.485 11.836 1.00 0.00 H new ATOM 1015 N SER A 84 9.292 -4.079 10.236 1.00 0.00 N ATOM 1016 CA SER A 84 10.224 -3.098 10.781 1.00 0.00 C ATOM 1017 C SER A 84 10.905 -2.316 9.661 1.00 0.00 C ATOM 1018 O SER A 84 11.006 -1.089 9.716 1.00 0.00 O ATOM 1019 CB SER A 84 11.279 -3.791 11.647 1.00 0.00 C ATOM 1020 OG SER A 84 11.739 -4.982 11.034 1.00 0.00 O ATOM 0 H SER A 84 9.443 -5.033 10.563 1.00 0.00 H new ATOM 0 HA SER A 84 9.658 -2.400 11.398 1.00 0.00 H new ATOM 0 HB2 SER A 84 12.119 -3.116 11.813 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.857 -4.021 12.625 1.00 0.00 H new ATOM 0 HG SER A 84 12.413 -5.405 11.606 1.00 0.00 H new ATOM 1026 N THR A 85 11.363 -3.035 8.642 1.00 0.00 N ATOM 1027 CA THR A 85 12.028 -2.414 7.506 1.00 0.00 C ATOM 1028 C THR A 85 11.052 -1.558 6.706 1.00 0.00 C ATOM 1029 O THR A 85 11.348 -0.411 6.374 1.00 0.00 O ATOM 1030 CB THR A 85 12.644 -3.480 6.605 1.00 0.00 C ATOM 1031 OG1 THR A 85 13.253 -4.499 7.377 1.00 0.00 O ATOM 1032 CG2 THR A 85 13.687 -2.934 5.655 1.00 0.00 C ATOM 0 H THR A 85 11.285 -4.050 8.581 1.00 0.00 H new ATOM 0 HA THR A 85 12.820 -1.770 7.888 1.00 0.00 H new ATOM 0 HB THR A 85 11.815 -3.874 6.017 1.00 0.00 H new ATOM 0 HG1 THR A 85 13.775 -5.086 6.791 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.083 -3.745 5.045 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.233 -2.182 5.009 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.497 -2.480 6.226 1.00 0.00 H new ATOM 1040 N CYS A 86 9.886 -2.122 6.407 1.00 0.00 N ATOM 1041 CA CYS A 86 8.861 -1.411 5.646 1.00 0.00 C ATOM 1042 C CYS A 86 8.479 -0.110 6.343 1.00 0.00 C ATOM 1043 O CYS A 86 8.413 0.944 5.711 1.00 0.00 O ATOM 1044 CB CYS A 86 7.625 -2.294 5.465 1.00 0.00 C ATOM 1045 SG CYS A 86 7.996 -3.988 4.951 1.00 0.00 S ATOM 0 H CYS A 86 9.626 -3.070 6.680 1.00 0.00 H new ATOM 0 HA CYS A 86 9.269 -1.171 4.664 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.072 -2.324 6.404 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.970 -1.836 4.724 1.00 0.00 H new ATOM 0 HG CYS A 86 8.513 -4.641 5.949 1.00 0.00 H new ATOM 1051 N GLN A 87 8.239 -0.187 7.648 1.00 0.00 N ATOM 1052 CA GLN A 87 7.878 0.992 8.426 1.00 0.00 C ATOM 1053 C GLN A 87 8.944 2.071 8.279 1.00 0.00 C ATOM 1054 O GLN A 87 8.634 3.242 8.061 1.00 0.00 O ATOM 1055 CB GLN A 87 7.704 0.627 9.901 1.00 0.00 C ATOM 1056 CG GLN A 87 6.511 -0.275 10.170 1.00 0.00 C ATOM 1057 CD GLN A 87 5.187 0.408 9.896 1.00 0.00 C ATOM 1058 OE1 GLN A 87 4.508 0.867 10.814 1.00 0.00 O ATOM 1059 NE2 GLN A 87 4.810 0.479 8.625 1.00 0.00 N ATOM 0 H GLN A 87 8.288 -1.051 8.188 1.00 0.00 H new ATOM 0 HA GLN A 87 6.932 1.377 8.046 1.00 0.00 H new ATOM 0 HB2 GLN A 87 8.609 0.132 10.253 1.00 0.00 H new ATOM 0 HB3 GLN A 87 7.595 1.543 10.482 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.589 -1.168 9.550 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.537 -0.604 11.209 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.403 0.085 7.894 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.927 0.927 8.379 1.00 0.00 H new ATOM 1068 N SER A 88 10.202 1.661 8.400 1.00 0.00 N ATOM 1069 CA SER A 88 11.321 2.583 8.281 1.00 0.00 C ATOM 1070 C SER A 88 11.336 3.246 6.908 1.00 0.00 C ATOM 1071 O SER A 88 11.690 4.419 6.780 1.00 0.00 O ATOM 1072 CB SER A 88 12.643 1.852 8.526 1.00 0.00 C ATOM 1073 OG SER A 88 12.679 1.287 9.825 1.00 0.00 O ATOM 0 H SER A 88 10.471 0.694 8.581 1.00 0.00 H new ATOM 0 HA SER A 88 11.201 3.359 9.037 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.772 1.067 7.781 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.474 2.546 8.405 1.00 0.00 H new ATOM 0 HG SER A 88 12.126 0.478 9.845 1.00 0.00 H new ATOM 1079 N ILE A 89 10.942 2.494 5.884 1.00 0.00 N ATOM 1080 CA ILE A 89 10.901 3.014 4.532 1.00 0.00 C ATOM 1081 C ILE A 89 9.894 4.149 4.449 1.00 0.00 C ATOM 1082 O ILE A 89 10.179 5.206 3.891 1.00 0.00 O ATOM 1083 CB ILE A 89 10.532 1.906 3.524 1.00 0.00 C ATOM 1084 CG1 ILE A 89 11.635 0.846 3.495 1.00 0.00 C ATOM 1085 CG2 ILE A 89 10.307 2.485 2.134 1.00 0.00 C ATOM 1086 CD1 ILE A 89 11.424 -0.232 2.456 1.00 0.00 C ATOM 0 H ILE A 89 10.647 1.521 5.971 1.00 0.00 H new ATOM 0 HA ILE A 89 11.892 3.389 4.277 1.00 0.00 H new ATOM 0 HB ILE A 89 9.600 1.440 3.844 1.00 0.00 H new ATOM 0 HG12 ILE A 89 12.591 1.336 3.307 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.703 0.380 4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 89 10.048 1.683 1.443 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.494 3.210 2.169 1.00 0.00 H new ATOM 0 HG23 ILE A 89 11.218 2.978 1.793 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.248 -0.945 2.499 1.00 0.00 H new ATOM 0 HD12 ILE A 89 10.486 -0.750 2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 89 11.386 0.220 1.465 1.00 0.00 H new ATOM 1098 N ILE A 90 8.720 3.926 5.025 1.00 0.00 N ATOM 1099 CA ILE A 90 7.676 4.936 5.029 1.00 0.00 C ATOM 1100 C ILE A 90 8.124 6.173 5.794 1.00 0.00 C ATOM 1101 O ILE A 90 7.884 7.303 5.366 1.00 0.00 O ATOM 1102 CB ILE A 90 6.376 4.405 5.655 1.00 0.00 C ATOM 1103 CG1 ILE A 90 6.062 3.014 5.098 1.00 0.00 C ATOM 1104 CG2 ILE A 90 5.236 5.378 5.392 1.00 0.00 C ATOM 1105 CD1 ILE A 90 4.639 2.556 5.346 1.00 0.00 C ATOM 0 H ILE A 90 8.469 3.056 5.494 1.00 0.00 H new ATOM 0 HA ILE A 90 7.484 5.197 3.988 1.00 0.00 H new ATOM 0 HB ILE A 90 6.500 4.318 6.734 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.251 3.013 4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.747 2.293 5.543 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.319 4.994 5.839 1.00 0.00 H new ATOM 0 HG22 ILE A 90 5.476 6.346 5.831 1.00 0.00 H new ATOM 0 HG23 ILE A 90 5.096 5.492 4.317 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.497 1.562 4.921 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.449 2.522 6.419 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.945 3.254 4.877 1.00 0.00 H new ATOM 1117 N LYS A 91 8.786 5.951 6.928 1.00 0.00 N ATOM 1118 CA LYS A 91 9.275 7.052 7.746 1.00 0.00 C ATOM 1119 C LYS A 91 10.316 7.856 6.977 1.00 0.00 C ATOM 1120 O LYS A 91 10.314 9.086 7.006 1.00 0.00 O ATOM 1121 CB LYS A 91 9.875 6.522 9.051 1.00 0.00 C ATOM 1122 CG LYS A 91 8.937 6.638 10.242 1.00 0.00 C ATOM 1123 CD LYS A 91 8.673 5.284 10.883 1.00 0.00 C ATOM 1124 CE LYS A 91 7.317 4.732 10.477 1.00 0.00 C ATOM 1125 NZ LYS A 91 6.216 5.295 11.307 1.00 0.00 N ATOM 0 H LYS A 91 8.994 5.023 7.297 1.00 0.00 H new ATOM 0 HA LYS A 91 8.436 7.704 7.989 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.150 5.476 8.916 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.793 7.068 9.267 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.369 7.313 10.981 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.993 7.079 9.921 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.455 4.583 10.591 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.719 5.378 11.968 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.132 4.959 9.427 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.324 3.646 10.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.308 4.893 10.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.378 5.057 12.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.192 6.329 11.197 1.00 0.00 H new ATOM 1139 N GLY A 92 11.199 7.147 6.280 1.00 0.00 N ATOM 1140 CA GLY A 92 12.226 7.807 5.499 1.00 0.00 C ATOM 1141 C GLY A 92 11.652 8.555 4.310 1.00 0.00 C ATOM 1142 O GLY A 92 12.336 9.368 3.689 1.00 0.00 O ATOM 0 H GLY A 92 11.220 6.128 6.243 1.00 0.00 H new ATOM 0 HA2 GLY A 92 12.772 8.504 6.135 1.00 0.00 H new ATOM 0 HA3 GLY A 92 12.945 7.067 5.148 1.00 0.00 H new ATOM 1146 N LEU A 93 10.386 8.283 3.999 1.00 0.00 N ATOM 1147 CA LEU A 93 9.712 8.939 2.883 1.00 0.00 C ATOM 1148 C LEU A 93 8.944 10.162 3.363 1.00 0.00 C ATOM 1149 O LEU A 93 7.849 10.450 2.882 1.00 0.00 O ATOM 1150 CB LEU A 93 8.752 7.967 2.199 1.00 0.00 C ATOM 1151 CG LEU A 93 9.417 6.804 1.467 1.00 0.00 C ATOM 1152 CD1 LEU A 93 8.363 5.866 0.905 1.00 0.00 C ATOM 1153 CD2 LEU A 93 10.322 7.320 0.360 1.00 0.00 C ATOM 0 H LEU A 93 9.807 7.613 4.505 1.00 0.00 H new ATOM 0 HA LEU A 93 10.471 9.258 2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 93 8.074 7.562 2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.143 8.524 1.486 1.00 0.00 H new ATOM 0 HG LEU A 93 10.030 6.249 2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.850 5.041 0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.754 5.473 1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.727 6.410 0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.788 6.478 -0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.732 7.896 -0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.096 7.957 0.790 1.00 0.00 H new ATOM 1165 N LYS A 94 9.522 10.873 4.322 1.00 0.00 N ATOM 1166 CA LYS A 94 8.895 12.055 4.876 1.00 0.00 C ATOM 1167 C LYS A 94 9.136 13.271 3.992 1.00 0.00 C ATOM 1168 O LYS A 94 8.240 14.088 3.793 1.00 0.00 O ATOM 1169 CB LYS A 94 9.421 12.320 6.288 1.00 0.00 C ATOM 1170 CG LYS A 94 8.322 12.461 7.328 1.00 0.00 C ATOM 1171 CD LYS A 94 8.804 12.037 8.707 1.00 0.00 C ATOM 1172 CE LYS A 94 8.983 13.235 9.629 1.00 0.00 C ATOM 1173 NZ LYS A 94 9.629 12.853 10.915 1.00 0.00 N ATOM 0 H LYS A 94 10.429 10.646 4.731 1.00 0.00 H new ATOM 0 HA LYS A 94 7.821 11.876 4.922 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.083 11.505 6.579 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.021 13.230 6.279 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.982 13.496 7.362 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.465 11.854 7.038 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.088 11.343 9.146 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.750 11.503 8.615 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.588 13.991 9.129 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.012 13.687 9.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.733 13.696 11.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.039 12.150 11.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.567 12.445 10.725 1.00 0.00 H new ATOM 1187 N ASN A 95 10.356 13.397 3.479 1.00 0.00 N ATOM 1188 CA ASN A 95 10.702 14.530 2.638 1.00 0.00 C ATOM 1189 C ASN A 95 11.163 14.093 1.249 1.00 0.00 C ATOM 1190 O ASN A 95 12.310 14.324 0.862 1.00 0.00 O ATOM 1191 CB ASN A 95 11.792 15.363 3.314 1.00 0.00 C ATOM 1192 CG ASN A 95 12.926 14.509 3.845 1.00 0.00 C ATOM 1193 OD1 ASN A 95 14.013 14.469 3.267 1.00 0.00 O ATOM 1194 ND2 ASN A 95 12.679 13.821 4.954 1.00 0.00 N ATOM 0 H ASN A 95 11.114 12.732 3.631 1.00 0.00 H new ATOM 0 HA ASN A 95 9.803 15.133 2.509 1.00 0.00 H new ATOM 0 HB2 ASN A 95 12.188 16.086 2.601 1.00 0.00 H new ATOM 0 HB3 ASN A 95 11.354 15.932 4.134 1.00 0.00 H new ATOM 0 HD21 ASN A 95 13.405 13.230 5.360 1.00 0.00 H new ATOM 0 HD22 ASN A 95 11.764 13.884 5.400 1.00 0.00 H new ATOM 1201 N GLN A 96 10.259 13.477 0.497 1.00 0.00 N ATOM 1202 CA GLN A 96 10.566 13.026 -0.860 1.00 0.00 C ATOM 1203 C GLN A 96 9.746 13.808 -1.876 1.00 0.00 C ATOM 1204 O GLN A 96 10.216 14.113 -2.972 1.00 0.00 O ATOM 1205 CB GLN A 96 10.284 11.530 -1.024 1.00 0.00 C ATOM 1206 CG GLN A 96 10.461 10.723 0.248 1.00 0.00 C ATOM 1207 CD GLN A 96 11.920 10.470 0.578 1.00 0.00 C ATOM 1208 OE1 GLN A 96 12.624 9.780 -0.159 1.00 0.00 O ATOM 1209 NE2 GLN A 96 12.380 11.030 1.690 1.00 0.00 N ATOM 0 H GLN A 96 9.306 13.277 0.802 1.00 0.00 H new ATOM 0 HA GLN A 96 11.627 13.202 -1.034 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.263 11.401 -1.384 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.946 11.128 -1.791 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.991 11.251 1.078 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.945 9.769 0.144 1.00 0.00 H new ATOM 0 HE21 GLN A 96 11.760 11.594 2.271 1.00 0.00 H new ATOM 0 HE22 GLN A 96 13.353 10.896 1.964 1.00 0.00 H new ATOM 1218 N SER A 97 8.509 14.124 -1.499 1.00 0.00 N ATOM 1219 CA SER A 97 7.595 14.869 -2.362 1.00 0.00 C ATOM 1220 C SER A 97 6.988 13.977 -3.447 1.00 0.00 C ATOM 1221 O SER A 97 6.158 14.432 -4.234 1.00 0.00 O ATOM 1222 CB SER A 97 8.311 16.058 -3.012 1.00 0.00 C ATOM 1223 OG SER A 97 7.395 17.094 -3.326 1.00 0.00 O ATOM 0 H SER A 97 8.114 13.873 -0.593 1.00 0.00 H new ATOM 0 HA SER A 97 6.786 15.237 -1.731 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.078 16.438 -2.337 1.00 0.00 H new ATOM 0 HB3 SER A 97 8.819 15.730 -3.919 1.00 0.00 H new ATOM 0 HG SER A 97 6.491 16.822 -3.064 1.00 0.00 H new ATOM 1229 N ARG A 98 7.396 12.710 -3.486 1.00 0.00 N ATOM 1230 CA ARG A 98 6.878 11.774 -4.479 1.00 0.00 C ATOM 1231 C ARG A 98 7.145 10.334 -4.049 1.00 0.00 C ATOM 1232 O ARG A 98 8.142 10.054 -3.383 1.00 0.00 O ATOM 1233 CB ARG A 98 7.513 12.042 -5.848 1.00 0.00 C ATOM 1234 CG ARG A 98 6.569 12.689 -6.850 1.00 0.00 C ATOM 1235 CD ARG A 98 7.216 13.875 -7.547 1.00 0.00 C ATOM 1236 NE ARG A 98 7.276 15.053 -6.687 1.00 0.00 N ATOM 1237 CZ ARG A 98 7.459 16.292 -7.138 1.00 0.00 C ATOM 1238 NH1 ARG A 98 7.598 16.518 -8.439 1.00 0.00 N ATOM 1239 NH2 ARG A 98 7.503 17.308 -6.287 1.00 0.00 N ATOM 0 H ARG A 98 8.081 12.310 -2.844 1.00 0.00 H new ATOM 0 HA ARG A 98 5.801 11.919 -4.558 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.382 12.686 -5.714 1.00 0.00 H new ATOM 0 HB3 ARG A 98 7.875 11.100 -6.260 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.266 11.951 -7.593 1.00 0.00 H new ATOM 0 HG3 ARG A 98 5.664 13.017 -6.338 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.224 13.604 -7.861 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.655 14.114 -8.450 1.00 0.00 H new ATOM 0 HE ARG A 98 7.172 14.919 -5.681 1.00 0.00 H new ATOM 0 HH11 ARG A 98 7.565 15.740 -9.098 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.738 17.469 -8.779 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.397 17.140 -5.287 1.00 0.00 H new ATOM 0 HH22 ARG A 98 7.643 18.257 -6.633 1.00 0.00 H new ATOM 1253 N VAL A 99 6.253 9.423 -4.427 1.00 0.00 N ATOM 1254 CA VAL A 99 6.407 8.016 -4.066 1.00 0.00 C ATOM 1255 C VAL A 99 5.989 7.092 -5.203 1.00 0.00 C ATOM 1256 O VAL A 99 4.802 6.879 -5.439 1.00 0.00 O ATOM 1257 CB VAL A 99 5.590 7.659 -2.808 1.00 0.00 C ATOM 1258 CG1 VAL A 99 6.037 6.319 -2.244 1.00 0.00 C ATOM 1259 CG2 VAL A 99 5.714 8.753 -1.756 1.00 0.00 C ATOM 0 H VAL A 99 5.421 9.631 -4.979 1.00 0.00 H new ATOM 0 HA VAL A 99 7.467 7.870 -3.859 1.00 0.00 H new ATOM 0 HB VAL A 99 4.541 7.579 -3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.449 6.084 -1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 99 5.890 5.541 -2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.093 6.370 -1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 99 5.130 8.480 -0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.760 8.870 -1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.341 9.693 -2.163 1.00 0.00 H new ATOM 1269 N LYS A 100 6.979 6.529 -5.890 1.00 0.00 N ATOM 1270 CA LYS A 100 6.728 5.603 -6.989 1.00 0.00 C ATOM 1271 C LYS A 100 6.733 4.177 -6.462 1.00 0.00 C ATOM 1272 O LYS A 100 7.698 3.436 -6.653 1.00 0.00 O ATOM 1273 CB LYS A 100 7.797 5.752 -8.073 1.00 0.00 C ATOM 1274 CG LYS A 100 8.142 7.195 -8.399 1.00 0.00 C ATOM 1275 CD LYS A 100 7.943 7.499 -9.877 1.00 0.00 C ATOM 1276 CE LYS A 100 6.534 7.159 -10.335 1.00 0.00 C ATOM 1277 NZ LYS A 100 6.535 6.401 -11.618 1.00 0.00 N ATOM 0 H LYS A 100 7.967 6.699 -5.703 1.00 0.00 H new ATOM 0 HA LYS A 100 5.755 5.832 -7.424 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.702 5.236 -7.752 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.452 5.257 -8.981 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.519 7.862 -7.803 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.177 7.393 -8.122 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.141 8.555 -10.061 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.664 6.932 -10.466 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.034 6.570 -9.566 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.960 8.078 -10.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.556 6.188 -11.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.989 6.973 -12.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.061 5.512 -11.496 1.00 0.00 H new ATOM 1291 N LEU A 101 5.660 3.802 -5.784 1.00 0.00 N ATOM 1292 CA LEU A 101 5.555 2.470 -5.211 1.00 0.00 C ATOM 1293 C LEU A 101 4.564 1.609 -5.982 1.00 0.00 C ATOM 1294 O LEU A 101 3.403 1.977 -6.164 1.00 0.00 O ATOM 1295 CB LEU A 101 5.174 2.555 -3.730 1.00 0.00 C ATOM 1296 CG LEU A 101 3.770 3.073 -3.448 1.00 0.00 C ATOM 1297 CD1 LEU A 101 3.346 2.708 -2.032 1.00 0.00 C ATOM 1298 CD2 LEU A 101 3.697 4.580 -3.659 1.00 0.00 C ATOM 0 H LEU A 101 4.851 4.400 -5.617 1.00 0.00 H new ATOM 0 HA LEU A 101 6.531 1.991 -5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.273 1.563 -3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.891 3.202 -3.224 1.00 0.00 H new ATOM 0 HG LEU A 101 3.082 2.600 -4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.340 3.085 -1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.354 1.624 -1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.039 3.154 -1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.685 4.928 -3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.396 5.076 -2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.958 4.816 -4.691 1.00 0.00 H new ATOM 1310 N ASN A 102 5.040 0.455 -6.439 1.00 0.00 N ATOM 1311 CA ASN A 102 4.209 -0.471 -7.193 1.00 0.00 C ATOM 1312 C ASN A 102 3.536 -1.461 -6.251 1.00 0.00 C ATOM 1313 O ASN A 102 4.208 -2.196 -5.528 1.00 0.00 O ATOM 1314 CB ASN A 102 5.050 -1.219 -8.230 1.00 0.00 C ATOM 1315 CG ASN A 102 4.856 -0.676 -9.632 1.00 0.00 C ATOM 1316 OD1 ASN A 102 5.706 0.046 -10.154 1.00 0.00 O ATOM 1317 ND2 ASN A 102 3.731 -1.021 -10.250 1.00 0.00 N ATOM 0 H ASN A 102 6.000 0.140 -6.299 1.00 0.00 H new ATOM 0 HA ASN A 102 3.439 0.098 -7.714 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.103 -1.149 -7.959 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.786 -2.277 -8.213 1.00 0.00 H new ATOM 0 HD21 ASN A 102 3.545 -0.685 -11.195 1.00 0.00 H new ATOM 0 HD22 ASN A 102 3.054 -1.622 -9.779 1.00 0.00 H new ATOM 1324 N ILE A 103 2.209 -1.472 -6.254 1.00 0.00 N ATOM 1325 CA ILE A 103 1.459 -2.372 -5.389 1.00 0.00 C ATOM 1326 C ILE A 103 0.621 -3.356 -6.197 1.00 0.00 C ATOM 1327 O ILE A 103 0.191 -3.056 -7.311 1.00 0.00 O ATOM 1328 CB ILE A 103 0.546 -1.594 -4.426 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -0.518 -0.814 -5.185 1.00 0.00 C ATOM 1330 CG2 ILE A 103 1.358 -0.648 -3.565 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -1.816 -0.742 -4.434 1.00 0.00 C ATOM 0 H ILE A 103 1.633 -0.871 -6.843 1.00 0.00 H new ATOM 0 HA ILE A 103 2.193 -2.930 -4.807 1.00 0.00 H new ATOM 0 HB ILE A 103 0.050 -2.322 -3.784 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.156 0.196 -5.378 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.687 -1.283 -6.154 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.693 -0.108 -2.891 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.081 -1.217 -2.981 1.00 0.00 H new ATOM 0 HG23 ILE A 103 1.885 0.063 -4.202 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.543 -0.176 -5.017 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -2.194 -1.750 -4.264 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.655 -0.248 -3.476 1.00 0.00 H new ATOM 1343 N VAL A 104 0.394 -4.534 -5.625 1.00 0.00 N ATOM 1344 CA VAL A 104 -0.392 -5.566 -6.287 1.00 0.00 C ATOM 1345 C VAL A 104 -1.790 -5.666 -5.688 1.00 0.00 C ATOM 1346 O VAL A 104 -1.960 -5.664 -4.464 1.00 0.00 O ATOM 1347 CB VAL A 104 0.289 -6.946 -6.200 1.00 0.00 C ATOM 1348 CG1 VAL A 104 1.392 -7.069 -7.239 1.00 0.00 C ATOM 1349 CG2 VAL A 104 0.833 -7.187 -4.804 1.00 0.00 C ATOM 0 H VAL A 104 0.744 -4.797 -4.704 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.467 -5.274 -7.334 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.459 -7.710 -6.410 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.859 -8.051 -7.159 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.968 -6.949 -8.236 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.141 -6.296 -7.068 1.00 0.00 H new ATOM 0 HG21 VAL A 104 1.310 -8.166 -4.763 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.565 -6.417 -4.561 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.016 -7.151 -4.084 1.00 0.00 H new ATOM 1359 N ARG A 105 -2.786 -5.756 -6.563 1.00 0.00 N ATOM 1360 CA ARG A 105 -4.176 -5.861 -6.137 1.00 0.00 C ATOM 1361 C ARG A 105 -4.944 -6.845 -7.017 1.00 0.00 C ATOM 1362 O ARG A 105 -5.336 -6.509 -8.132 1.00 0.00 O ATOM 1363 CB ARG A 105 -4.849 -4.486 -6.177 1.00 0.00 C ATOM 1364 CG ARG A 105 -5.055 -3.867 -4.804 1.00 0.00 C ATOM 1365 CD ARG A 105 -6.532 -3.751 -4.460 1.00 0.00 C ATOM 1366 NE ARG A 105 -7.219 -2.785 -5.314 1.00 0.00 N ATOM 1367 CZ ARG A 105 -8.542 -2.716 -5.439 1.00 0.00 C ATOM 1368 NH1 ARG A 105 -9.323 -3.550 -4.766 1.00 0.00 N ATOM 1369 NH2 ARG A 105 -9.085 -1.809 -6.238 1.00 0.00 N ATOM 0 H ARG A 105 -2.655 -5.758 -7.575 1.00 0.00 H new ATOM 0 HA ARG A 105 -4.189 -6.234 -5.113 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -4.243 -3.812 -6.783 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.815 -4.578 -6.673 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -4.552 -4.474 -4.051 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -4.595 -2.879 -4.777 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -7.006 -4.727 -4.563 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -6.639 -3.453 -3.417 1.00 0.00 H new ATOM 0 HE ARG A 105 -6.651 -2.125 -5.845 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -8.910 -4.249 -4.149 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -10.336 -3.492 -4.866 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -8.489 -1.164 -6.757 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -10.099 -1.756 -6.334 1.00 0.00 H new TER 1383 ARG A 105