USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 857 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 GLN : amide:sc= -0.0106 X(o=-0.011,f=-0.18) USER MOD Set 1.2: A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 177:sc= -0.534 (180deg=-0.54) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.0455 (180deg=-0.0455) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN :FLIP amide:sc= -4.44! C(o=-5.2!,f=-4.4!) USER MOD Single : A 11 ASN : amide:sc= -0.0307 X(o=-0.031,f=-0.23) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0683 X(o=-0.068,f=-0.49) USER MOD Single : A 23 LYS NZ :NH3+ -172:sc= -0.0453 (180deg=-0.0962) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 33 TYR OH : rot 15:sc= -0.782 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.274 K(o=-0.27,f=-2.3) USER MOD Single : A 67 MET CE :methyl -117:sc= -3.2! (180deg=-9.93!) USER MOD Single : A 73 ASN : amide:sc= 0.789 K(o=0.79,f=-4.9!) USER MOD Single : A 84 ASN : amide:sc= -0.0471 X(o=-0.047,f=-0.26) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -90:sc= 1.04 USER MOD Single : A 94 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 100 ASN : amide:sc= -0.233 K(o=-0.23,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.474 -12.636 2.390 1.00 0.00 N ATOM 2 CA MET A 1 -7.991 -12.046 3.672 1.00 0.00 C ATOM 3 C MET A 1 -6.508 -11.681 3.562 1.00 0.00 C ATOM 4 O MET A 1 -5.688 -12.141 4.330 1.00 0.00 O ATOM 5 CB MET A 1 -8.197 -13.145 4.714 1.00 0.00 C ATOM 6 CG MET A 1 -8.288 -12.520 6.107 1.00 0.00 C ATOM 7 SD MET A 1 -9.701 -11.390 6.173 1.00 0.00 S ATOM 8 CE MET A 1 -10.591 -12.220 7.512 1.00 0.00 C ATOM 0 H1 MET A 1 -9.481 -12.879 2.478 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.350 -11.946 1.622 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.928 -13.495 2.175 1.00 0.00 H new ATOM 0 HA MET A 1 -8.523 -11.131 3.933 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.107 -13.703 4.494 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.371 -13.855 4.676 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.398 -13.300 6.860 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.368 -11.982 6.336 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.488 -11.652 7.760 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.873 -13.224 7.194 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.949 -12.285 8.390 1.00 0.00 H new ATOM 20 N ARG A 2 -6.160 -10.859 2.611 1.00 0.00 N ATOM 21 CA ARG A 2 -4.730 -10.467 2.452 1.00 0.00 C ATOM 22 C ARG A 2 -4.552 -8.980 2.773 1.00 0.00 C ATOM 23 O ARG A 2 -5.473 -8.312 3.196 1.00 0.00 O ATOM 24 CB ARG A 2 -4.404 -10.742 0.984 1.00 0.00 C ATOM 25 CG ARG A 2 -4.135 -12.235 0.793 1.00 0.00 C ATOM 26 CD ARG A 2 -4.686 -12.685 -0.563 1.00 0.00 C ATOM 27 NE ARG A 2 -3.483 -13.044 -1.367 1.00 0.00 N ATOM 28 CZ ARG A 2 -3.563 -13.112 -2.669 1.00 0.00 C ATOM 29 NH1 ARG A 2 -3.418 -12.034 -3.390 1.00 0.00 N ATOM 30 NH2 ARG A 2 -3.788 -14.259 -3.251 1.00 0.00 N ATOM 0 H ARG A 2 -6.803 -10.442 1.938 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.073 -11.018 3.124 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.234 -10.427 0.351 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.533 -10.163 0.679 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.064 -12.432 0.846 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.604 -12.805 1.595 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.357 -13.537 -0.454 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.257 -11.889 -1.041 1.00 0.00 H new ATOM 0 HE ARG A 2 -2.597 -13.237 -0.900 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -3.242 -11.137 -2.937 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -3.481 -12.088 -4.407 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -3.901 -15.103 -2.689 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -3.850 -14.311 -4.268 1.00 0.00 H new ATOM 44 N ARG A 3 -3.373 -8.458 2.574 1.00 0.00 N ATOM 45 CA ARG A 3 -3.139 -7.015 2.866 1.00 0.00 C ATOM 46 C ARG A 3 -3.147 -6.205 1.568 1.00 0.00 C ATOM 47 O ARG A 3 -2.484 -6.546 0.610 1.00 0.00 O ATOM 48 CB ARG A 3 -1.759 -6.964 3.525 1.00 0.00 C ATOM 49 CG ARG A 3 -1.796 -7.746 4.841 1.00 0.00 C ATOM 50 CD ARG A 3 -0.475 -8.495 5.033 1.00 0.00 C ATOM 51 NE ARG A 3 -0.858 -9.800 5.639 1.00 0.00 N ATOM 52 CZ ARG A 3 -0.570 -10.049 6.888 1.00 0.00 C ATOM 53 NH1 ARG A 3 -0.908 -9.198 7.816 1.00 0.00 N ATOM 54 NH2 ARG A 3 0.057 -11.147 7.207 1.00 0.00 N ATOM 0 H ARG A 3 -2.562 -8.967 2.222 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.912 -6.591 3.507 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.009 -7.389 2.858 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.471 -5.930 3.712 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.964 -7.065 5.675 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.627 -8.451 4.833 1.00 0.00 H new ATOM 0 HD2 ARG A 3 0.040 -8.637 4.083 1.00 0.00 H new ATOM 0 HD3 ARG A 3 0.202 -7.941 5.683 1.00 0.00 H new ATOM 0 HE ARG A 3 -1.345 -10.499 5.079 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -1.397 -8.338 7.566 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -0.683 -9.392 8.792 1.00 0.00 H new ATOM 0 HH21 ARG A 3 0.323 -11.812 6.481 1.00 0.00 H new ATOM 0 HH22 ARG A 3 0.282 -11.341 8.183 1.00 0.00 H new ATOM 68 N TYR A 4 -3.893 -5.133 1.526 1.00 0.00 N ATOM 69 CA TYR A 4 -3.939 -4.311 0.289 1.00 0.00 C ATOM 70 C TYR A 4 -3.445 -2.897 0.580 1.00 0.00 C ATOM 71 O TYR A 4 -3.316 -2.491 1.717 1.00 0.00 O ATOM 72 CB TYR A 4 -5.403 -4.287 -0.135 1.00 0.00 C ATOM 73 CG TYR A 4 -5.825 -5.670 -0.570 1.00 0.00 C ATOM 74 CD1 TYR A 4 -5.413 -6.165 -1.814 1.00 0.00 C ATOM 75 CD2 TYR A 4 -6.626 -6.458 0.265 1.00 0.00 C ATOM 76 CE1 TYR A 4 -5.801 -7.446 -2.222 1.00 0.00 C ATOM 77 CE2 TYR A 4 -7.013 -7.741 -0.144 1.00 0.00 C ATOM 78 CZ TYR A 4 -6.601 -8.234 -1.387 1.00 0.00 C ATOM 79 OH TYR A 4 -6.983 -9.498 -1.788 1.00 0.00 O ATOM 0 H TYR A 4 -4.471 -4.794 2.295 1.00 0.00 H new ATOM 0 HA TYR A 4 -3.302 -4.721 -0.495 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.027 -3.949 0.692 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.545 -3.579 -0.951 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -4.795 -5.557 -2.459 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -6.945 -6.077 1.224 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -5.483 -7.827 -3.181 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -7.630 -8.350 0.501 1.00 0.00 H new ATOM 0 HH TYR A 4 -7.535 -9.910 -1.091 1.00 0.00 H new ATOM 89 N GLU A 5 -3.166 -2.151 -0.445 1.00 0.00 N ATOM 90 CA GLU A 5 -2.675 -0.761 -0.248 1.00 0.00 C ATOM 91 C GLU A 5 -3.753 0.233 -0.683 1.00 0.00 C ATOM 92 O GLU A 5 -4.399 0.059 -1.698 1.00 0.00 O ATOM 93 CB GLU A 5 -1.433 -0.657 -1.145 1.00 0.00 C ATOM 94 CG GLU A 5 -1.191 0.800 -1.553 1.00 0.00 C ATOM 95 CD GLU A 5 0.137 0.904 -2.308 1.00 0.00 C ATOM 96 OE1 GLU A 5 1.168 0.897 -1.658 1.00 0.00 O ATOM 97 OE2 GLU A 5 0.097 0.987 -3.524 1.00 0.00 O ATOM 0 H GLU A 5 -3.257 -2.444 -1.418 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.440 -0.536 0.792 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.561 -1.043 -0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.566 -1.273 -2.034 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.008 1.153 -2.182 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.170 1.438 -0.669 1.00 0.00 H new ATOM 104 N VAL A 6 -3.955 1.273 0.076 1.00 0.00 N ATOM 105 CA VAL A 6 -4.995 2.270 -0.304 1.00 0.00 C ATOM 106 C VAL A 6 -4.352 3.430 -1.073 1.00 0.00 C ATOM 107 O VAL A 6 -3.630 4.236 -0.520 1.00 0.00 O ATOM 108 CB VAL A 6 -5.591 2.751 1.021 1.00 0.00 C ATOM 109 CG1 VAL A 6 -4.565 3.601 1.773 1.00 0.00 C ATOM 110 CG2 VAL A 6 -6.839 3.591 0.739 1.00 0.00 C ATOM 0 H VAL A 6 -3.449 1.476 0.938 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.760 1.848 -0.955 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.858 1.888 1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.995 3.941 2.715 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.675 3.004 1.974 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.293 4.465 1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.266 3.935 1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.568 4.452 0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.573 2.985 0.208 1.00 0.00 H new ATOM 120 N ASN A 7 -4.605 3.508 -2.352 1.00 0.00 N ATOM 121 CA ASN A 7 -4.008 4.603 -3.170 1.00 0.00 C ATOM 122 C ASN A 7 -5.064 5.665 -3.489 1.00 0.00 C ATOM 123 O ASN A 7 -5.835 5.528 -4.417 1.00 0.00 O ATOM 124 CB ASN A 7 -3.534 3.923 -4.456 1.00 0.00 C ATOM 125 CG ASN A 7 -2.087 4.325 -4.747 1.00 0.00 C ATOM 126 OD1 ASN A 7 -1.132 3.455 -4.564 1.00 0.00 O flip ATOM 127 ND2 ASN A 7 -1.822 5.442 -5.145 1.00 0.00 N flip ATOM 0 H ASN A 7 -5.201 2.859 -2.867 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.195 5.108 -2.649 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -3.608 2.840 -4.355 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.176 4.210 -5.289 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.568 6.123 -5.288 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -0.854 5.699 -5.336 1.00 0.00 H new ATOM 134 N ILE A 8 -5.101 6.722 -2.728 1.00 0.00 N ATOM 135 CA ILE A 8 -6.102 7.793 -2.990 1.00 0.00 C ATOM 136 C ILE A 8 -5.392 9.135 -3.179 1.00 0.00 C ATOM 137 O ILE A 8 -4.495 9.483 -2.435 1.00 0.00 O ATOM 138 CB ILE A 8 -6.989 7.818 -1.741 1.00 0.00 C ATOM 139 CG1 ILE A 8 -8.043 6.714 -1.848 1.00 0.00 C ATOM 140 CG2 ILE A 8 -7.690 9.175 -1.623 1.00 0.00 C ATOM 141 CD1 ILE A 8 -7.448 5.390 -1.366 1.00 0.00 C ATOM 0 H ILE A 8 -4.481 6.891 -1.936 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.683 7.611 -3.894 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.369 7.656 -0.859 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.916 6.972 -1.249 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.381 6.618 -2.880 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.318 9.184 -0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.943 9.965 -1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.308 9.343 -2.505 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.199 4.604 -1.443 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.588 5.131 -1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.132 5.490 -0.328 1.00 0.00 H new ATOM 153 N VAL A 9 -5.785 9.895 -4.163 1.00 0.00 N ATOM 154 CA VAL A 9 -5.133 11.215 -4.386 1.00 0.00 C ATOM 155 C VAL A 9 -6.135 12.337 -4.100 1.00 0.00 C ATOM 156 O VAL A 9 -7.154 12.451 -4.753 1.00 0.00 O ATOM 157 CB VAL A 9 -4.721 11.215 -5.859 1.00 0.00 C ATOM 158 CG1 VAL A 9 -5.907 10.784 -6.726 1.00 0.00 C ATOM 159 CG2 VAL A 9 -4.284 12.623 -6.266 1.00 0.00 C ATOM 0 H VAL A 9 -6.528 9.660 -4.821 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.275 11.375 -3.733 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.895 10.519 -6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.610 10.785 -7.775 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.222 9.781 -6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.734 11.479 -6.582 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.990 12.624 -7.316 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.112 13.317 -6.120 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.438 12.933 -5.652 1.00 0.00 H new ATOM 169 N LEU A 10 -5.859 13.158 -3.126 1.00 0.00 N ATOM 170 CA LEU A 10 -6.803 14.262 -2.795 1.00 0.00 C ATOM 171 C LEU A 10 -6.226 15.610 -3.233 1.00 0.00 C ATOM 172 O LEU A 10 -5.039 15.750 -3.448 1.00 0.00 O ATOM 173 CB LEU A 10 -6.949 14.209 -1.276 1.00 0.00 C ATOM 174 CG LEU A 10 -7.636 12.902 -0.877 1.00 0.00 C ATOM 175 CD1 LEU A 10 -6.763 12.150 0.128 1.00 0.00 C ATOM 176 CD2 LEU A 10 -8.991 13.214 -0.240 1.00 0.00 C ATOM 0 H LEU A 10 -5.022 13.113 -2.545 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.761 14.152 -3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.969 14.277 -0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.532 15.061 -0.926 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.782 12.284 -1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.254 11.219 0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.797 11.928 -0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.615 12.767 1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.482 12.283 0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.843 13.832 0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.615 13.749 -0.956 1.00 0.00 H new ATOM 188 N ASN A 11 -7.063 16.604 -3.368 1.00 0.00 N ATOM 189 CA ASN A 11 -6.569 17.945 -3.793 1.00 0.00 C ATOM 190 C ASN A 11 -5.926 18.675 -2.611 1.00 0.00 C ATOM 191 O ASN A 11 -6.560 18.894 -1.598 1.00 0.00 O ATOM 192 CB ASN A 11 -7.817 18.692 -4.265 1.00 0.00 C ATOM 193 CG ASN A 11 -8.028 18.446 -5.761 1.00 0.00 C ATOM 194 OD1 ASN A 11 -7.121 18.626 -6.551 1.00 0.00 O ATOM 195 ND2 ASN A 11 -9.194 18.040 -6.186 1.00 0.00 N ATOM 0 H ASN A 11 -8.068 16.545 -3.202 1.00 0.00 H new ATOM 0 HA ASN A 11 -5.811 17.876 -4.573 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.689 18.355 -3.704 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.708 19.760 -4.074 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.345 17.874 -7.181 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.954 17.889 -5.523 1.00 0.00 H new ATOM 202 N PRO A 12 -4.680 19.032 -2.781 1.00 0.00 N ATOM 203 CA PRO A 12 -3.944 19.746 -1.719 1.00 0.00 C ATOM 204 C PRO A 12 -4.266 21.238 -1.766 1.00 0.00 C ATOM 205 O PRO A 12 -3.388 22.078 -1.749 1.00 0.00 O ATOM 206 CB PRO A 12 -2.482 19.492 -2.067 1.00 0.00 C ATOM 207 CG PRO A 12 -2.460 19.221 -3.542 1.00 0.00 C ATOM 208 CD PRO A 12 -3.851 18.807 -3.965 1.00 0.00 C ATOM 0 HA PRO A 12 -4.201 19.410 -0.714 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.864 20.355 -1.818 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.087 18.644 -1.507 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.145 20.111 -4.088 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.742 18.434 -3.774 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.200 19.398 -4.811 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.877 17.762 -4.274 1.00 0.00 H new ATOM 216 N ASN A 13 -5.523 21.570 -1.829 1.00 0.00 N ATOM 217 CA ASN A 13 -5.916 23.008 -1.879 1.00 0.00 C ATOM 218 C ASN A 13 -6.129 23.550 -0.463 1.00 0.00 C ATOM 219 O ASN A 13 -5.788 24.676 -0.159 1.00 0.00 O ATOM 220 CB ASN A 13 -7.229 23.035 -2.662 1.00 0.00 C ATOM 221 CG ASN A 13 -7.491 24.453 -3.173 1.00 0.00 C ATOM 222 OD1 ASN A 13 -8.308 25.167 -2.628 1.00 0.00 O ATOM 223 ND2 ASN A 13 -6.826 24.893 -4.207 1.00 0.00 N ATOM 0 H ASN A 13 -6.299 20.908 -1.848 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.149 23.627 -2.345 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.179 22.339 -3.499 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.051 22.709 -2.025 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.993 25.836 -4.557 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.140 24.293 -4.665 1.00 0.00 H new ATOM 230 N LEU A 14 -6.695 22.757 0.406 1.00 0.00 N ATOM 231 CA LEU A 14 -6.938 23.226 1.802 1.00 0.00 C ATOM 232 C LEU A 14 -5.617 23.344 2.565 1.00 0.00 C ATOM 233 O LEU A 14 -4.592 22.852 2.137 1.00 0.00 O ATOM 234 CB LEU A 14 -7.829 22.150 2.426 1.00 0.00 C ATOM 235 CG LEU A 14 -9.256 22.687 2.592 1.00 0.00 C ATOM 236 CD1 LEU A 14 -9.657 23.501 1.358 1.00 0.00 C ATOM 237 CD2 LEU A 14 -10.222 21.510 2.753 1.00 0.00 C ATOM 0 H LEU A 14 -7.000 21.804 0.210 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.403 24.211 1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.837 21.261 1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.429 21.850 3.395 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.297 23.327 3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.672 23.878 1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.971 24.339 1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.614 22.866 0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.238 21.887 2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -10.171 20.874 1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.945 20.930 3.633 1.00 0.00 H new ATOM 249 N ASP A 15 -5.635 23.999 3.694 1.00 0.00 N ATOM 250 CA ASP A 15 -4.382 24.153 4.487 1.00 0.00 C ATOM 251 C ASP A 15 -4.079 22.863 5.253 1.00 0.00 C ATOM 252 O ASP A 15 -4.808 21.895 5.171 1.00 0.00 O ATOM 253 CB ASP A 15 -4.663 25.300 5.457 1.00 0.00 C ATOM 254 CG ASP A 15 -5.954 25.019 6.227 1.00 0.00 C ATOM 255 OD1 ASP A 15 -7.014 25.296 5.690 1.00 0.00 O ATOM 256 OD2 ASP A 15 -5.862 24.531 7.341 1.00 0.00 O ATOM 0 H ASP A 15 -6.463 24.434 4.101 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.517 24.358 3.856 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.831 25.413 6.152 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.751 26.239 4.910 1.00 0.00 H new ATOM 261 N GLN A 16 -3.006 22.843 5.995 1.00 0.00 N ATOM 262 CA GLN A 16 -2.656 21.614 6.764 1.00 0.00 C ATOM 263 C GLN A 16 -3.688 21.367 7.869 1.00 0.00 C ATOM 264 O GLN A 16 -4.194 20.273 8.024 1.00 0.00 O ATOM 265 CB GLN A 16 -1.283 21.910 7.369 1.00 0.00 C ATOM 266 CG GLN A 16 -0.993 20.919 8.500 1.00 0.00 C ATOM 267 CD GLN A 16 0.355 21.250 9.138 1.00 0.00 C ATOM 268 OE1 GLN A 16 0.609 22.381 9.501 1.00 0.00 O ATOM 269 NE2 GLN A 16 1.238 20.301 9.294 1.00 0.00 N ATOM 0 H GLN A 16 -2.357 23.623 6.102 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.645 20.722 6.138 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -0.513 21.836 6.601 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.255 22.931 7.751 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.783 20.966 9.250 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -0.983 19.901 8.111 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.025 19.351 8.989 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.141 20.509 9.721 1.00 0.00 H new ATOM 278 N SER A 17 -3.999 22.374 8.641 1.00 0.00 N ATOM 279 CA SER A 17 -4.989 22.195 9.735 1.00 0.00 C ATOM 280 C SER A 17 -6.327 21.715 9.168 1.00 0.00 C ATOM 281 O SER A 17 -6.930 20.790 9.674 1.00 0.00 O ATOM 282 CB SER A 17 -5.137 23.579 10.366 1.00 0.00 C ATOM 283 OG SER A 17 -4.262 23.682 11.482 1.00 0.00 O ATOM 0 H SER A 17 -3.608 23.313 8.559 1.00 0.00 H new ATOM 0 HA SER A 17 -4.669 21.448 10.462 1.00 0.00 H new ATOM 0 HB2 SER A 17 -4.904 24.352 9.634 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.168 23.739 10.681 1.00 0.00 H new ATOM 0 HG SER A 17 -4.353 24.569 11.888 1.00 0.00 H new ATOM 289 N GLN A 18 -6.794 22.333 8.118 1.00 0.00 N ATOM 290 CA GLN A 18 -8.089 21.901 7.520 1.00 0.00 C ATOM 291 C GLN A 18 -7.930 20.517 6.891 1.00 0.00 C ATOM 292 O GLN A 18 -8.777 19.658 7.030 1.00 0.00 O ATOM 293 CB GLN A 18 -8.401 22.944 6.449 1.00 0.00 C ATOM 294 CG GLN A 18 -9.099 24.144 7.093 1.00 0.00 C ATOM 295 CD GLN A 18 -10.576 23.814 7.317 1.00 0.00 C ATOM 296 OE1 GLN A 18 -11.253 23.363 6.416 1.00 0.00 O ATOM 297 NE2 GLN A 18 -11.107 24.020 8.491 1.00 0.00 N ATOM 0 H GLN A 18 -6.337 23.115 7.650 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.887 21.831 8.259 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.481 23.264 5.960 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.038 22.510 5.678 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.622 24.390 8.042 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.004 25.021 6.452 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -10.539 24.399 9.248 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -12.090 23.802 8.651 1.00 0.00 H new ATOM 306 N LEU A 19 -6.842 20.293 6.207 1.00 0.00 N ATOM 307 CA LEU A 19 -6.620 18.965 5.574 1.00 0.00 C ATOM 308 C LEU A 19 -6.445 17.895 6.656 1.00 0.00 C ATOM 309 O LEU A 19 -6.895 16.775 6.514 1.00 0.00 O ATOM 310 CB LEU A 19 -5.334 19.127 4.761 1.00 0.00 C ATOM 311 CG LEU A 19 -4.767 17.749 4.415 1.00 0.00 C ATOM 312 CD1 LEU A 19 -4.364 17.718 2.940 1.00 0.00 C ATOM 313 CD2 LEU A 19 -3.538 17.471 5.285 1.00 0.00 C ATOM 0 H LEU A 19 -6.097 20.974 6.060 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.457 18.653 4.950 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.537 19.687 3.848 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.602 19.700 5.330 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.525 16.988 4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.960 16.736 2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.238 17.917 2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.606 18.479 2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.133 16.489 5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.781 18.233 5.099 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.824 17.493 6.337 1.00 0.00 H new ATOM 325 N ALA A 20 -5.793 18.230 7.737 1.00 0.00 N ATOM 326 CA ALA A 20 -5.591 17.237 8.822 1.00 0.00 C ATOM 327 C ALA A 20 -6.941 16.780 9.377 1.00 0.00 C ATOM 328 O ALA A 20 -7.129 15.626 9.708 1.00 0.00 O ATOM 329 CB ALA A 20 -4.789 17.977 9.894 1.00 0.00 C ATOM 0 H ALA A 20 -5.392 19.151 7.912 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.073 16.343 8.474 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.598 17.308 10.733 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.840 18.311 9.473 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.356 18.841 10.241 1.00 0.00 H new ATOM 335 N LEU A 21 -7.884 17.676 9.486 1.00 0.00 N ATOM 336 CA LEU A 21 -9.217 17.293 10.023 1.00 0.00 C ATOM 337 C LEU A 21 -9.863 16.230 9.126 1.00 0.00 C ATOM 338 O LEU A 21 -10.576 15.362 9.588 1.00 0.00 O ATOM 339 CB LEU A 21 -10.031 18.599 10.040 1.00 0.00 C ATOM 340 CG LEU A 21 -10.801 18.783 8.727 1.00 0.00 C ATOM 341 CD1 LEU A 21 -12.129 18.026 8.803 1.00 0.00 C ATOM 342 CD2 LEU A 21 -11.079 20.272 8.508 1.00 0.00 C ATOM 0 H LEU A 21 -7.787 18.657 9.226 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.160 16.853 11.019 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.730 18.586 10.877 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.363 19.446 10.196 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.208 18.394 7.899 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -12.676 18.157 7.870 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.935 16.966 8.964 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.723 18.416 9.630 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.626 20.407 7.575 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.674 20.657 9.336 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.135 20.815 8.456 1.00 0.00 H new ATOM 354 N GLU A 22 -9.613 16.294 7.847 1.00 0.00 N ATOM 355 CA GLU A 22 -10.206 15.285 6.919 1.00 0.00 C ATOM 356 C GLU A 22 -9.522 13.933 7.120 1.00 0.00 C ATOM 357 O GLU A 22 -10.161 12.900 7.173 1.00 0.00 O ATOM 358 CB GLU A 22 -9.929 15.811 5.506 1.00 0.00 C ATOM 359 CG GLU A 22 -10.117 17.329 5.465 1.00 0.00 C ATOM 360 CD GLU A 22 -10.403 17.772 4.030 1.00 0.00 C ATOM 361 OE1 GLU A 22 -9.995 17.069 3.121 1.00 0.00 O ATOM 362 OE2 GLU A 22 -11.026 18.809 3.863 1.00 0.00 O ATOM 0 H GLU A 22 -9.025 16.999 7.403 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.273 15.145 7.095 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.913 15.554 5.206 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.602 15.334 4.793 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.940 17.621 6.117 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.222 17.827 5.838 1.00 0.00 H new ATOM 369 N LYS A 23 -8.223 13.936 7.233 1.00 0.00 N ATOM 370 CA LYS A 23 -7.486 12.655 7.431 1.00 0.00 C ATOM 371 C LYS A 23 -7.932 11.985 8.733 1.00 0.00 C ATOM 372 O LYS A 23 -8.033 10.777 8.819 1.00 0.00 O ATOM 373 CB LYS A 23 -6.013 13.054 7.510 1.00 0.00 C ATOM 374 CG LYS A 23 -5.340 12.805 6.158 1.00 0.00 C ATOM 375 CD LYS A 23 -5.547 14.019 5.251 1.00 0.00 C ATOM 376 CE LYS A 23 -6.158 13.567 3.923 1.00 0.00 C ATOM 377 NZ LYS A 23 -6.294 14.812 3.118 1.00 0.00 N ATOM 0 H LYS A 23 -7.638 14.771 7.197 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.672 11.942 6.628 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.925 14.106 7.783 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.511 12.479 8.289 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.275 12.621 6.299 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.758 11.914 5.691 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.202 14.742 5.737 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.595 14.520 5.074 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.519 12.841 3.421 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.125 13.088 4.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.828 14.607 2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.799 15.531 3.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.350 15.168 2.867 1.00 0.00 H new ATOM 391 N GLU A 24 -8.200 12.761 9.748 1.00 0.00 N ATOM 392 CA GLU A 24 -8.639 12.165 11.043 1.00 0.00 C ATOM 393 C GLU A 24 -10.086 11.672 10.935 1.00 0.00 C ATOM 394 O GLU A 24 -10.445 10.650 11.484 1.00 0.00 O ATOM 395 CB GLU A 24 -8.531 13.303 12.059 1.00 0.00 C ATOM 396 CG GLU A 24 -7.443 12.970 13.083 1.00 0.00 C ATOM 397 CD GLU A 24 -7.389 14.066 14.149 1.00 0.00 C ATOM 398 OE1 GLU A 24 -8.441 14.433 14.647 1.00 0.00 O ATOM 399 OE2 GLU A 24 -6.297 14.518 14.450 1.00 0.00 O ATOM 0 H GLU A 24 -8.134 13.779 9.737 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.033 11.305 11.330 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.293 14.238 11.551 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.487 13.448 12.562 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.650 12.006 13.548 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.476 12.883 12.587 1.00 0.00 H new ATOM 406 N ILE A 25 -10.916 12.390 10.230 1.00 0.00 N ATOM 407 CA ILE A 25 -12.336 11.966 10.084 1.00 0.00 C ATOM 408 C ILE A 25 -12.443 10.821 9.072 1.00 0.00 C ATOM 409 O ILE A 25 -13.087 9.820 9.318 1.00 0.00 O ATOM 410 CB ILE A 25 -13.058 13.211 9.572 1.00 0.00 C ATOM 411 CG1 ILE A 25 -13.112 14.257 10.686 1.00 0.00 C ATOM 412 CG2 ILE A 25 -14.481 12.847 9.150 1.00 0.00 C ATOM 413 CD1 ILE A 25 -13.948 13.718 11.849 1.00 0.00 C ATOM 0 H ILE A 25 -10.671 13.255 9.748 1.00 0.00 H new ATOM 0 HA ILE A 25 -12.763 11.600 11.017 1.00 0.00 H new ATOM 0 HB ILE A 25 -12.520 13.613 8.714 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -12.104 14.493 11.027 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -13.547 15.183 10.310 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -14.992 13.738 8.786 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -14.446 12.100 8.357 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -15.022 12.443 10.006 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.988 14.462 12.644 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -14.959 13.504 11.502 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -13.494 12.803 12.230 1.00 0.00 H new ATOM 425 N ILE A 26 -11.819 10.962 7.935 1.00 0.00 N ATOM 426 CA ILE A 26 -11.886 9.883 6.907 1.00 0.00 C ATOM 427 C ILE A 26 -11.340 8.571 7.479 1.00 0.00 C ATOM 428 O ILE A 26 -11.852 7.504 7.207 1.00 0.00 O ATOM 429 CB ILE A 26 -11.000 10.375 5.764 1.00 0.00 C ATOM 430 CG1 ILE A 26 -11.169 9.452 4.554 1.00 0.00 C ATOM 431 CG2 ILE A 26 -9.536 10.362 6.211 1.00 0.00 C ATOM 432 CD1 ILE A 26 -11.023 10.264 3.267 1.00 0.00 C ATOM 0 H ILE A 26 -11.265 11.777 7.673 1.00 0.00 H new ATOM 0 HA ILE A 26 -12.907 9.686 6.580 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.289 11.390 5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.423 8.658 4.582 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -12.147 8.971 4.584 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.903 10.713 5.396 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.413 11.017 7.073 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.248 9.347 6.483 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.143 9.606 2.406 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.786 11.042 3.239 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.035 10.724 3.237 1.00 0.00 H new ATOM 444 N GLN A 27 -10.303 8.645 8.267 1.00 0.00 N ATOM 445 CA GLN A 27 -9.721 7.404 8.854 1.00 0.00 C ATOM 446 C GLN A 27 -10.753 6.695 9.736 1.00 0.00 C ATOM 447 O GLN A 27 -10.871 5.485 9.720 1.00 0.00 O ATOM 448 CB GLN A 27 -8.538 7.884 9.696 1.00 0.00 C ATOM 449 CG GLN A 27 -7.239 7.692 8.910 1.00 0.00 C ATOM 450 CD GLN A 27 -6.119 8.496 9.573 1.00 0.00 C ATOM 451 OE1 GLN A 27 -6.018 8.535 10.782 1.00 0.00 O ATOM 452 NE2 GLN A 27 -5.266 9.144 8.826 1.00 0.00 N ATOM 0 H GLN A 27 -9.833 9.511 8.530 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.417 6.690 8.088 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.666 8.935 9.956 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.495 7.327 10.632 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.973 6.635 8.878 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.374 8.018 7.879 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.350 9.112 7.810 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.515 9.682 9.259 1.00 0.00 H new ATOM 461 N ARG A 28 -11.499 7.436 10.509 1.00 0.00 N ATOM 462 CA ARG A 28 -12.519 6.799 11.392 1.00 0.00 C ATOM 463 C ARG A 28 -13.576 6.079 10.549 1.00 0.00 C ATOM 464 O ARG A 28 -14.136 5.082 10.959 1.00 0.00 O ATOM 465 CB ARG A 28 -13.150 7.953 12.171 1.00 0.00 C ATOM 466 CG ARG A 28 -12.149 8.487 13.198 1.00 0.00 C ATOM 467 CD ARG A 28 -12.452 7.883 14.571 1.00 0.00 C ATOM 468 NE ARG A 28 -12.007 6.466 14.471 1.00 0.00 N ATOM 469 CZ ARG A 28 -10.936 6.073 15.103 1.00 0.00 C ATOM 470 NH1 ARG A 28 -9.818 6.733 14.966 1.00 0.00 N ATOM 471 NH2 ARG A 28 -10.980 5.021 15.874 1.00 0.00 N ATOM 0 H ARG A 28 -11.447 8.453 10.568 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.080 6.053 12.055 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.444 8.749 11.487 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -14.056 7.614 12.673 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.133 8.236 12.895 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.207 9.574 13.247 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.918 8.410 15.361 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -13.514 7.948 14.806 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.540 5.803 13.908 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.782 7.556 14.365 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.980 6.426 15.460 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.853 4.505 15.983 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.141 4.715 16.368 1.00 0.00 H new ATOM 485 N ALA A 29 -13.859 6.577 9.377 1.00 0.00 N ATOM 486 CA ALA A 29 -14.881 5.924 8.521 1.00 0.00 C ATOM 487 C ALA A 29 -14.366 4.582 8.002 1.00 0.00 C ATOM 488 O ALA A 29 -15.111 3.631 7.878 1.00 0.00 O ATOM 489 CB ALA A 29 -15.119 6.898 7.368 1.00 0.00 C ATOM 0 H ALA A 29 -13.425 7.409 8.977 1.00 0.00 H new ATOM 0 HA ALA A 29 -15.800 5.713 9.068 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.865 6.484 6.690 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.476 7.849 7.763 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.186 7.057 6.827 1.00 0.00 H new ATOM 495 N LEU A 30 -13.097 4.482 7.714 1.00 0.00 N ATOM 496 CA LEU A 30 -12.569 3.176 7.230 1.00 0.00 C ATOM 497 C LEU A 30 -12.947 2.131 8.260 1.00 0.00 C ATOM 498 O LEU A 30 -13.275 1.002 7.953 1.00 0.00 O ATOM 499 CB LEU A 30 -11.040 3.331 7.149 1.00 0.00 C ATOM 500 CG LEU A 30 -10.658 4.705 6.578 1.00 0.00 C ATOM 501 CD1 LEU A 30 -9.305 4.605 5.870 1.00 0.00 C ATOM 502 CD2 LEU A 30 -11.719 5.166 5.576 1.00 0.00 C ATOM 0 H LEU A 30 -12.413 5.235 7.791 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.967 2.882 6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.605 3.211 8.141 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.623 2.543 6.521 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.595 5.425 7.394 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.034 5.580 5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.545 4.284 6.582 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.372 3.880 5.058 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -11.442 6.141 5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.788 4.445 4.761 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.684 5.241 6.077 1.00 0.00 H new ATOM 514 N GLU A 31 -12.915 2.533 9.493 1.00 0.00 N ATOM 515 CA GLU A 31 -13.283 1.621 10.600 1.00 0.00 C ATOM 516 C GLU A 31 -14.785 1.323 10.563 1.00 0.00 C ATOM 517 O GLU A 31 -15.220 0.237 10.890 1.00 0.00 O ATOM 518 CB GLU A 31 -12.914 2.373 11.879 1.00 0.00 C ATOM 519 CG GLU A 31 -11.393 2.381 12.044 1.00 0.00 C ATOM 520 CD GLU A 31 -10.976 1.263 13.004 1.00 0.00 C ATOM 521 OE1 GLU A 31 -10.969 0.119 12.582 1.00 0.00 O ATOM 522 OE2 GLU A 31 -10.670 1.572 14.143 1.00 0.00 O ATOM 0 H GLU A 31 -12.644 3.472 9.785 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.768 0.663 10.532 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.291 3.395 11.835 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -13.382 1.898 12.741 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.911 2.242 11.076 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.064 3.346 12.428 1.00 0.00 H new ATOM 529 N ASN A 32 -15.585 2.283 10.171 1.00 0.00 N ATOM 530 CA ASN A 32 -17.052 2.056 10.119 1.00 0.00 C ATOM 531 C ASN A 32 -17.367 0.888 9.191 1.00 0.00 C ATOM 532 O ASN A 32 -18.284 0.124 9.421 1.00 0.00 O ATOM 533 CB ASN A 32 -17.631 3.352 9.559 1.00 0.00 C ATOM 534 CG ASN A 32 -19.110 3.457 9.937 1.00 0.00 C ATOM 535 OD1 ASN A 32 -19.949 2.824 9.329 1.00 0.00 O ATOM 536 ND2 ASN A 32 -19.468 4.233 10.924 1.00 0.00 N ATOM 0 H ASN A 32 -15.280 3.214 9.885 1.00 0.00 H new ATOM 0 HA ASN A 32 -17.469 1.811 11.096 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.083 4.208 9.953 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.520 3.374 8.475 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -20.452 4.307 11.184 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -18.764 4.765 11.435 1.00 0.00 H new ATOM 543 N TYR A 33 -16.616 0.751 8.137 1.00 0.00 N ATOM 544 CA TYR A 33 -16.860 -0.350 7.186 1.00 0.00 C ATOM 545 C TYR A 33 -16.329 -1.668 7.769 1.00 0.00 C ATOM 546 O TYR A 33 -16.599 -2.738 7.260 1.00 0.00 O ATOM 547 CB TYR A 33 -16.101 0.081 5.923 1.00 0.00 C ATOM 548 CG TYR A 33 -15.470 -1.114 5.253 1.00 0.00 C ATOM 549 CD1 TYR A 33 -14.325 -1.684 5.808 1.00 0.00 C ATOM 550 CD2 TYR A 33 -16.032 -1.651 4.091 1.00 0.00 C ATOM 551 CE1 TYR A 33 -13.733 -2.792 5.203 1.00 0.00 C ATOM 552 CE2 TYR A 33 -15.442 -2.764 3.484 1.00 0.00 C ATOM 553 CZ TYR A 33 -14.291 -3.336 4.040 1.00 0.00 C ATOM 554 OH TYR A 33 -13.709 -4.436 3.442 1.00 0.00 O ATOM 0 H TYR A 33 -15.837 1.364 7.897 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.915 -0.527 6.975 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -16.784 0.575 5.232 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -15.332 0.808 6.184 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -13.896 -1.267 6.707 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -16.919 -1.208 3.663 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.844 -3.231 5.632 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -15.874 -3.182 2.587 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.078 -4.852 4.066 1.00 0.00 H new ATOM 564 N GLY A 34 -15.580 -1.594 8.836 1.00 0.00 N ATOM 565 CA GLY A 34 -15.039 -2.827 9.455 1.00 0.00 C ATOM 566 C GLY A 34 -13.660 -3.145 8.869 1.00 0.00 C ATOM 567 O GLY A 34 -13.352 -4.282 8.565 1.00 0.00 O ATOM 0 H GLY A 34 -15.321 -0.726 9.304 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.964 -2.699 10.535 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -15.719 -3.661 9.279 1.00 0.00 H new ATOM 571 N ALA A 35 -12.827 -2.153 8.712 1.00 0.00 N ATOM 572 CA ALA A 35 -11.467 -2.403 8.151 1.00 0.00 C ATOM 573 C ALA A 35 -10.400 -2.163 9.225 1.00 0.00 C ATOM 574 O ALA A 35 -10.424 -1.168 9.922 1.00 0.00 O ATOM 575 CB ALA A 35 -11.316 -1.393 7.012 1.00 0.00 C ATOM 0 H ALA A 35 -13.028 -1.181 8.947 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.345 -3.429 7.805 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.338 -1.513 6.547 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.095 -1.564 6.269 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.408 -0.382 7.408 1.00 0.00 H new ATOM 581 N ARG A 36 -9.466 -3.064 9.365 1.00 0.00 N ATOM 582 CA ARG A 36 -8.402 -2.880 10.393 1.00 0.00 C ATOM 583 C ARG A 36 -7.075 -2.532 9.719 1.00 0.00 C ATOM 584 O ARG A 36 -6.722 -3.073 8.689 1.00 0.00 O ATOM 585 CB ARG A 36 -8.281 -4.212 11.128 1.00 0.00 C ATOM 586 CG ARG A 36 -9.650 -4.891 11.234 1.00 0.00 C ATOM 587 CD ARG A 36 -9.806 -5.517 12.623 1.00 0.00 C ATOM 588 NE ARG A 36 -10.448 -6.839 12.381 1.00 0.00 N ATOM 589 CZ ARG A 36 -11.009 -7.483 13.368 1.00 0.00 C ATOM 590 NH1 ARG A 36 -11.832 -6.862 14.167 1.00 0.00 N ATOM 591 NH2 ARG A 36 -10.748 -8.748 13.556 1.00 0.00 N ATOM 0 H ARG A 36 -9.394 -3.919 8.813 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.649 -2.069 11.078 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.585 -4.864 10.600 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.871 -4.048 12.125 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.443 -4.163 11.061 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.748 -5.658 10.465 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.840 -5.632 13.115 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.421 -4.892 13.271 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.449 -7.241 11.444 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.037 -5.874 14.020 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.271 -7.365 14.938 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.105 -9.234 12.931 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.187 -9.250 14.328 1.00 0.00 H new ATOM 605 N VAL A 37 -6.345 -1.627 10.295 1.00 0.00 N ATOM 606 CA VAL A 37 -5.034 -1.218 9.704 1.00 0.00 C ATOM 607 C VAL A 37 -3.876 -1.886 10.450 1.00 0.00 C ATOM 608 O VAL A 37 -3.686 -1.686 11.632 1.00 0.00 O ATOM 609 CB VAL A 37 -4.976 0.299 9.883 1.00 0.00 C ATOM 610 CG1 VAL A 37 -5.282 0.654 11.340 1.00 0.00 C ATOM 611 CG2 VAL A 37 -3.576 0.799 9.522 1.00 0.00 C ATOM 0 H VAL A 37 -6.597 -1.145 11.158 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.948 -1.513 8.658 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.712 0.770 9.232 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.241 1.736 11.467 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.278 0.296 11.600 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.546 0.184 11.991 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.532 1.881 9.649 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.842 0.327 10.175 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.355 0.546 8.485 1.00 0.00 H new ATOM 621 N GLU A 38 -3.097 -2.674 9.762 1.00 0.00 N ATOM 622 CA GLU A 38 -1.948 -3.348 10.428 1.00 0.00 C ATOM 623 C GLU A 38 -0.764 -2.382 10.534 1.00 0.00 C ATOM 624 O GLU A 38 0.053 -2.482 11.428 1.00 0.00 O ATOM 625 CB GLU A 38 -1.599 -4.526 9.519 1.00 0.00 C ATOM 626 CG GLU A 38 -2.448 -5.737 9.904 1.00 0.00 C ATOM 627 CD GLU A 38 -2.839 -6.508 8.643 1.00 0.00 C ATOM 628 OE1 GLU A 38 -2.332 -6.171 7.585 1.00 0.00 O ATOM 629 OE2 GLU A 38 -3.639 -7.422 8.755 1.00 0.00 O ATOM 0 H GLU A 38 -3.206 -2.880 8.769 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.187 -3.673 11.440 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.777 -4.260 8.477 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.540 -4.768 9.610 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.891 -6.385 10.581 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.342 -5.413 10.437 1.00 0.00 H new ATOM 636 N LYS A 39 -0.667 -1.448 9.627 1.00 0.00 N ATOM 637 CA LYS A 39 0.466 -0.475 9.673 1.00 0.00 C ATOM 638 C LYS A 39 0.185 0.723 8.759 1.00 0.00 C ATOM 639 O LYS A 39 -0.536 0.619 7.787 1.00 0.00 O ATOM 640 CB LYS A 39 1.680 -1.253 9.165 1.00 0.00 C ATOM 641 CG LYS A 39 2.412 -1.888 10.347 1.00 0.00 C ATOM 642 CD LYS A 39 2.349 -3.409 10.220 1.00 0.00 C ATOM 643 CE LYS A 39 3.191 -4.049 11.327 1.00 0.00 C ATOM 644 NZ LYS A 39 4.079 -5.019 10.626 1.00 0.00 N ATOM 0 H LYS A 39 -1.322 -1.315 8.856 1.00 0.00 H new ATOM 0 HA LYS A 39 0.620 -0.079 10.677 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.363 -2.025 8.463 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.351 -0.587 8.624 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.450 -1.556 10.368 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.957 -1.570 11.285 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.316 -3.748 10.292 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.718 -3.719 9.242 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.772 -3.299 11.864 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.561 -4.551 12.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.687 -5.498 11.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.499 -5.725 10.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.672 -4.512 9.938 1.00 0.00 H new ATOM 658 N VAL A 40 0.752 1.859 9.067 1.00 0.00 N ATOM 659 CA VAL A 40 0.523 3.064 8.218 1.00 0.00 C ATOM 660 C VAL A 40 1.851 3.769 7.926 1.00 0.00 C ATOM 661 O VAL A 40 2.597 4.102 8.825 1.00 0.00 O ATOM 662 CB VAL A 40 -0.386 3.968 9.051 1.00 0.00 C ATOM 663 CG1 VAL A 40 0.195 4.122 10.458 1.00 0.00 C ATOM 664 CG2 VAL A 40 -0.480 5.344 8.388 1.00 0.00 C ATOM 0 H VAL A 40 1.364 2.004 9.870 1.00 0.00 H new ATOM 0 HA VAL A 40 0.079 2.810 7.256 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.379 3.524 9.115 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.454 4.767 11.051 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.265 3.143 10.932 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.188 4.566 10.395 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.128 5.990 8.981 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.514 5.786 8.325 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.893 5.237 7.385 1.00 0.00 H new ATOM 674 N GLU A 41 2.152 4.006 6.677 1.00 0.00 N ATOM 675 CA GLU A 41 3.431 4.696 6.337 1.00 0.00 C ATOM 676 C GLU A 41 3.144 6.114 5.835 1.00 0.00 C ATOM 677 O GLU A 41 2.258 6.330 5.031 1.00 0.00 O ATOM 678 CB GLU A 41 4.065 3.851 5.231 1.00 0.00 C ATOM 679 CG GLU A 41 5.507 4.310 5.003 1.00 0.00 C ATOM 680 CD GLU A 41 6.173 3.411 3.959 1.00 0.00 C ATOM 681 OE1 GLU A 41 5.478 2.588 3.385 1.00 0.00 O ATOM 682 OE2 GLU A 41 7.366 3.561 3.751 1.00 0.00 O ATOM 0 H GLU A 41 1.569 3.752 5.879 1.00 0.00 H new ATOM 0 HA GLU A 41 4.091 4.789 7.199 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.047 2.797 5.508 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.491 3.948 4.310 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.520 5.347 4.667 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.064 4.271 5.939 1.00 0.00 H new ATOM 689 N GLU A 42 3.886 7.082 6.299 1.00 0.00 N ATOM 690 CA GLU A 42 3.649 8.483 5.841 1.00 0.00 C ATOM 691 C GLU A 42 4.568 8.817 4.663 1.00 0.00 C ATOM 692 O GLU A 42 5.777 8.838 4.787 1.00 0.00 O ATOM 693 CB GLU A 42 3.955 9.373 7.053 1.00 0.00 C ATOM 694 CG GLU A 42 5.338 9.045 7.623 1.00 0.00 C ATOM 695 CD GLU A 42 5.739 10.127 8.626 1.00 0.00 C ATOM 696 OE1 GLU A 42 4.978 10.361 9.550 1.00 0.00 O ATOM 697 OE2 GLU A 42 6.800 10.705 8.454 1.00 0.00 O ATOM 0 H GLU A 42 4.643 6.966 6.972 1.00 0.00 H new ATOM 0 HA GLU A 42 2.627 8.633 5.492 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.915 10.422 6.761 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.195 9.227 7.820 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.322 8.070 8.109 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.072 8.988 6.819 1.00 0.00 H new ATOM 704 N LEU A 43 4.002 9.074 3.517 1.00 0.00 N ATOM 705 CA LEU A 43 4.840 9.403 2.329 1.00 0.00 C ATOM 706 C LEU A 43 5.076 10.912 2.247 1.00 0.00 C ATOM 707 O LEU A 43 6.194 11.381 2.340 1.00 0.00 O ATOM 708 CB LEU A 43 4.027 8.918 1.127 1.00 0.00 C ATOM 709 CG LEU A 43 4.253 7.419 0.935 1.00 0.00 C ATOM 710 CD1 LEU A 43 5.734 7.158 0.653 1.00 0.00 C ATOM 711 CD2 LEU A 43 3.840 6.677 2.207 1.00 0.00 C ATOM 0 H LEU A 43 2.996 9.071 3.351 1.00 0.00 H new ATOM 0 HA LEU A 43 5.823 8.933 2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.968 9.120 1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.325 9.460 0.230 1.00 0.00 H new ATOM 0 HG LEU A 43 3.655 7.066 0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.895 6.089 0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.031 7.689 -0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.332 7.510 1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.000 5.607 2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.439 7.031 3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.785 6.863 2.411 1.00 0.00 H new ATOM 723 N GLY A 44 4.034 11.677 2.073 1.00 0.00 N ATOM 724 CA GLY A 44 4.201 13.155 1.984 1.00 0.00 C ATOM 725 C GLY A 44 4.707 13.528 0.590 1.00 0.00 C ATOM 726 O GLY A 44 5.674 14.248 0.440 1.00 0.00 O ATOM 0 H GLY A 44 3.074 11.343 1.989 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.251 13.652 2.183 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.905 13.498 2.742 1.00 0.00 H new ATOM 730 N LEU A 45 4.061 13.041 -0.432 1.00 0.00 N ATOM 731 CA LEU A 45 4.504 13.365 -1.817 1.00 0.00 C ATOM 732 C LEU A 45 4.503 14.881 -2.031 1.00 0.00 C ATOM 733 O LEU A 45 3.791 15.610 -1.369 1.00 0.00 O ATOM 734 CB LEU A 45 3.478 12.693 -2.730 1.00 0.00 C ATOM 735 CG LEU A 45 4.196 11.747 -3.691 1.00 0.00 C ATOM 736 CD1 LEU A 45 3.267 10.588 -4.058 1.00 0.00 C ATOM 737 CD2 LEU A 45 4.585 12.508 -4.959 1.00 0.00 C ATOM 0 H LEU A 45 3.245 12.432 -0.368 1.00 0.00 H new ATOM 0 HA LEU A 45 5.517 13.017 -2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.751 12.141 -2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.924 13.447 -3.290 1.00 0.00 H new ATOM 0 HG LEU A 45 5.093 11.355 -3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.780 9.914 -4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.989 10.045 -3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.369 10.979 -4.537 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.097 11.834 -5.645 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.688 12.900 -5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.248 13.333 -4.699 1.00 0.00 H new ATOM 749 N ARG A 46 5.297 15.359 -2.949 1.00 0.00 N ATOM 750 CA ARG A 46 5.341 16.828 -3.202 1.00 0.00 C ATOM 751 C ARG A 46 4.686 17.155 -4.546 1.00 0.00 C ATOM 752 O ARG A 46 4.544 16.304 -5.403 1.00 0.00 O ATOM 753 CB ARG A 46 6.829 17.178 -3.229 1.00 0.00 C ATOM 754 CG ARG A 46 7.316 17.431 -1.801 1.00 0.00 C ATOM 755 CD ARG A 46 7.858 16.128 -1.209 1.00 0.00 C ATOM 756 NE ARG A 46 9.158 16.500 -0.588 1.00 0.00 N ATOM 757 CZ ARG A 46 10.140 16.925 -1.335 1.00 0.00 C ATOM 758 NH1 ARG A 46 10.603 16.168 -2.293 1.00 0.00 N ATOM 759 NH2 ARG A 46 10.655 18.105 -1.128 1.00 0.00 N ATOM 0 H ARG A 46 5.916 14.798 -3.534 1.00 0.00 H new ATOM 0 HA ARG A 46 4.802 17.395 -2.443 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.397 16.365 -3.680 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.995 18.063 -3.844 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.094 18.195 -1.800 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.498 17.809 -1.188 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.172 15.714 -0.470 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.991 15.369 -1.980 1.00 0.00 H new ATOM 0 HE ARG A 46 9.282 16.423 0.422 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.197 15.247 -2.456 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.370 16.498 -2.878 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.290 18.697 -0.382 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.423 18.436 -1.712 1.00 0.00 H new ATOM 773 N ARG A 47 4.282 18.380 -4.735 1.00 0.00 N ATOM 774 CA ARG A 47 3.632 18.763 -6.021 1.00 0.00 C ATOM 775 C ARG A 47 4.640 18.700 -7.173 1.00 0.00 C ATOM 776 O ARG A 47 5.440 19.595 -7.360 1.00 0.00 O ATOM 777 CB ARG A 47 3.154 20.200 -5.807 1.00 0.00 C ATOM 778 CG ARG A 47 2.200 20.251 -4.612 1.00 0.00 C ATOM 779 CD ARG A 47 0.962 21.073 -4.978 1.00 0.00 C ATOM 780 NE ARG A 47 0.557 21.741 -3.709 1.00 0.00 N ATOM 781 CZ ARG A 47 0.589 23.042 -3.618 1.00 0.00 C ATOM 782 NH1 ARG A 47 -0.150 23.770 -4.411 1.00 0.00 N ATOM 783 NH2 ARG A 47 1.360 23.616 -2.737 1.00 0.00 N ATOM 0 H ARG A 47 4.374 19.134 -4.054 1.00 0.00 H new ATOM 0 HA ARG A 47 2.814 18.092 -6.283 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.007 20.856 -5.632 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.651 20.564 -6.703 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.907 19.241 -4.325 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.702 20.694 -3.752 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.188 21.804 -5.754 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.164 20.437 -5.362 1.00 0.00 H new ATOM 0 HE ARG A 47 0.255 21.181 -2.912 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.752 23.321 -5.101 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.125 24.787 -4.340 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.939 23.048 -2.118 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.385 24.633 -2.666 1.00 0.00 H new ATOM 797 N LEU A 48 4.604 17.652 -7.952 1.00 0.00 N ATOM 798 CA LEU A 48 5.556 17.540 -9.095 1.00 0.00 C ATOM 799 C LEU A 48 5.185 18.552 -10.182 1.00 0.00 C ATOM 800 O LEU A 48 4.025 18.821 -10.422 1.00 0.00 O ATOM 801 CB LEU A 48 5.394 16.108 -9.610 1.00 0.00 C ATOM 802 CG LEU A 48 6.055 15.133 -8.632 1.00 0.00 C ATOM 803 CD1 LEU A 48 5.335 13.784 -8.688 1.00 0.00 C ATOM 804 CD2 LEU A 48 7.523 14.942 -9.019 1.00 0.00 C ATOM 0 H LEU A 48 3.958 16.870 -7.847 1.00 0.00 H new ATOM 0 HA LEU A 48 6.585 17.748 -8.802 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.337 15.868 -9.720 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.847 16.012 -10.597 1.00 0.00 H new ATOM 0 HG LEU A 48 5.993 15.536 -7.621 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.806 13.091 -7.991 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.289 13.918 -8.414 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.396 13.381 -9.699 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.995 14.248 -8.324 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.583 14.540 -10.030 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.038 15.902 -8.979 1.00 0.00 H new ATOM 816 N ALA A 49 6.160 19.120 -10.839 1.00 0.00 N ATOM 817 CA ALA A 49 5.858 20.120 -11.904 1.00 0.00 C ATOM 818 C ALA A 49 5.632 19.423 -13.250 1.00 0.00 C ATOM 819 O ALA A 49 6.406 18.583 -13.664 1.00 0.00 O ATOM 820 CB ALA A 49 7.097 21.014 -11.965 1.00 0.00 C ATOM 0 H ALA A 49 7.151 18.935 -10.685 1.00 0.00 H new ATOM 0 HA ALA A 49 4.952 20.686 -11.690 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.956 21.780 -12.728 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.250 21.490 -10.996 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.969 20.410 -12.215 1.00 0.00 H new ATOM 826 N TYR A 50 4.576 19.769 -13.938 1.00 0.00 N ATOM 827 CA TYR A 50 4.302 19.135 -15.260 1.00 0.00 C ATOM 828 C TYR A 50 4.237 17.611 -15.119 1.00 0.00 C ATOM 829 O TYR A 50 4.589 17.066 -14.092 1.00 0.00 O ATOM 830 CB TYR A 50 5.479 19.546 -16.144 1.00 0.00 C ATOM 831 CG TYR A 50 5.204 20.904 -16.744 1.00 0.00 C ATOM 832 CD1 TYR A 50 4.679 21.927 -15.946 1.00 0.00 C ATOM 833 CD2 TYR A 50 5.473 21.139 -18.098 1.00 0.00 C ATOM 834 CE1 TYR A 50 4.422 23.185 -16.501 1.00 0.00 C ATOM 835 CE2 TYR A 50 5.216 22.398 -18.653 1.00 0.00 C ATOM 836 CZ TYR A 50 4.691 23.421 -17.855 1.00 0.00 C ATOM 837 OH TYR A 50 4.438 24.662 -18.401 1.00 0.00 O ATOM 0 H TYR A 50 3.891 20.464 -13.641 1.00 0.00 H new ATOM 0 HA TYR A 50 3.347 19.450 -15.679 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.397 19.575 -15.557 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.629 18.810 -16.934 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.472 21.745 -14.902 1.00 0.00 H new ATOM 0 HD2 TYR A 50 5.878 20.350 -18.713 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.016 23.974 -15.885 1.00 0.00 H new ATOM 0 HE2 TYR A 50 5.423 22.580 -19.697 1.00 0.00 H new ATOM 0 HH TYR A 50 4.681 24.658 -19.350 1.00 0.00 H new ATOM 847 N PRO A 51 3.783 16.974 -16.165 1.00 0.00 N ATOM 848 CA PRO A 51 3.663 15.492 -16.168 1.00 0.00 C ATOM 849 C PRO A 51 5.047 14.842 -16.100 1.00 0.00 C ATOM 850 O PRO A 51 5.973 15.259 -16.767 1.00 0.00 O ATOM 851 CB PRO A 51 2.970 15.192 -17.496 1.00 0.00 C ATOM 852 CG PRO A 51 3.283 16.371 -18.360 1.00 0.00 C ATOM 853 CD PRO A 51 3.350 17.560 -17.439 1.00 0.00 C ATOM 0 HA PRO A 51 3.111 15.102 -15.313 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.342 14.267 -17.937 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.895 15.072 -17.364 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.229 16.230 -18.883 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.515 16.511 -19.121 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.056 18.308 -17.799 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.382 18.053 -17.347 1.00 0.00 H new ATOM 861 N ILE A 52 5.195 13.827 -15.293 1.00 0.00 N ATOM 862 CA ILE A 52 6.519 13.157 -15.177 1.00 0.00 C ATOM 863 C ILE A 52 6.347 11.635 -15.171 1.00 0.00 C ATOM 864 O ILE A 52 5.911 11.054 -14.197 1.00 0.00 O ATOM 865 CB ILE A 52 7.078 13.640 -13.840 1.00 0.00 C ATOM 866 CG1 ILE A 52 6.961 15.164 -13.765 1.00 0.00 C ATOM 867 CG2 ILE A 52 8.548 13.234 -13.724 1.00 0.00 C ATOM 868 CD1 ILE A 52 7.720 15.675 -12.540 1.00 0.00 C ATOM 0 H ILE A 52 4.456 13.434 -14.710 1.00 0.00 H new ATOM 0 HA ILE A 52 7.180 13.393 -16.010 1.00 0.00 H new ATOM 0 HB ILE A 52 6.514 13.189 -13.024 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.366 15.615 -14.671 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.913 15.456 -13.704 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.947 13.579 -12.770 1.00 0.00 H new ATOM 0 HG22 ILE A 52 8.631 12.149 -13.781 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.115 13.685 -14.538 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.636 16.760 -12.487 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.295 15.234 -11.638 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.770 15.395 -12.620 1.00 0.00 H new ATOM 880 N ALA A 53 6.688 10.986 -16.251 1.00 0.00 N ATOM 881 CA ALA A 53 6.546 9.503 -16.304 1.00 0.00 C ATOM 882 C ALA A 53 5.210 9.077 -15.680 1.00 0.00 C ATOM 883 O ALA A 53 4.167 9.603 -16.016 1.00 0.00 O ATOM 884 CB ALA A 53 7.727 8.968 -15.493 1.00 0.00 C ATOM 0 H ALA A 53 7.058 11.418 -17.098 1.00 0.00 H new ATOM 0 HA ALA A 53 6.549 9.118 -17.324 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.697 7.878 -15.482 1.00 0.00 H new ATOM 0 HB2 ALA A 53 8.661 9.301 -15.947 1.00 0.00 H new ATOM 0 HB3 ALA A 53 7.666 9.343 -14.471 1.00 0.00 H new ATOM 890 N LYS A 54 5.226 8.129 -14.780 1.00 0.00 N ATOM 891 CA LYS A 54 3.952 7.680 -14.149 1.00 0.00 C ATOM 892 C LYS A 54 3.992 7.916 -12.637 1.00 0.00 C ATOM 893 O LYS A 54 3.860 6.996 -11.853 1.00 0.00 O ATOM 894 CB LYS A 54 3.868 6.186 -14.457 1.00 0.00 C ATOM 895 CG LYS A 54 3.145 5.980 -15.789 1.00 0.00 C ATOM 896 CD LYS A 54 1.956 5.041 -15.582 1.00 0.00 C ATOM 897 CE LYS A 54 0.762 5.837 -15.048 1.00 0.00 C ATOM 898 NZ LYS A 54 -0.330 5.595 -16.030 1.00 0.00 N ATOM 0 H LYS A 54 6.065 7.648 -14.456 1.00 0.00 H new ATOM 0 HA LYS A 54 3.089 8.226 -14.528 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.869 5.757 -14.504 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.336 5.668 -13.659 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.802 6.938 -16.181 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.830 5.560 -16.526 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.693 4.558 -16.523 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.222 4.250 -14.881 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.478 5.501 -14.051 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.997 6.899 -14.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.184 6.108 -15.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.033 5.930 -16.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.537 4.577 -16.076 1.00 0.00 H new ATOM 912 N ASP A 55 4.172 9.139 -12.218 1.00 0.00 N ATOM 913 CA ASP A 55 4.217 9.426 -10.755 1.00 0.00 C ATOM 914 C ASP A 55 2.950 10.170 -10.320 1.00 0.00 C ATOM 915 O ASP A 55 2.616 11.199 -10.872 1.00 0.00 O ATOM 916 CB ASP A 55 5.447 10.314 -10.562 1.00 0.00 C ATOM 917 CG ASP A 55 5.802 10.375 -9.075 1.00 0.00 C ATOM 918 OD1 ASP A 55 4.912 10.175 -8.265 1.00 0.00 O ATOM 919 OD2 ASP A 55 6.958 10.620 -8.771 1.00 0.00 O ATOM 0 H ASP A 55 4.290 9.951 -12.824 1.00 0.00 H new ATOM 0 HA ASP A 55 4.272 8.515 -10.160 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.288 9.918 -11.132 1.00 0.00 H new ATOM 0 HB3 ASP A 55 5.248 11.316 -10.941 1.00 0.00 H new ATOM 924 N PRO A 56 2.286 9.621 -9.339 1.00 0.00 N ATOM 925 CA PRO A 56 1.041 10.241 -8.822 1.00 0.00 C ATOM 926 C PRO A 56 1.365 11.493 -8.000 1.00 0.00 C ATOM 927 O PRO A 56 1.825 11.409 -6.879 1.00 0.00 O ATOM 928 CB PRO A 56 0.441 9.154 -7.936 1.00 0.00 C ATOM 929 CG PRO A 56 1.602 8.305 -7.524 1.00 0.00 C ATOM 930 CD PRO A 56 2.624 8.384 -8.627 1.00 0.00 C ATOM 0 HA PRO A 56 0.365 10.564 -9.613 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.061 9.584 -7.069 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.303 8.569 -8.477 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.023 8.659 -6.583 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.287 7.274 -7.364 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.638 8.417 -8.229 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.568 7.517 -9.285 1.00 0.00 H new ATOM 938 N GLN A 57 1.128 12.653 -8.549 1.00 0.00 N ATOM 939 CA GLN A 57 1.419 13.907 -7.796 1.00 0.00 C ATOM 940 C GLN A 57 0.294 14.195 -6.798 1.00 0.00 C ATOM 941 O GLN A 57 -0.871 14.004 -7.090 1.00 0.00 O ATOM 942 CB GLN A 57 1.491 15.004 -8.861 1.00 0.00 C ATOM 943 CG GLN A 57 0.199 15.010 -9.679 1.00 0.00 C ATOM 944 CD GLN A 57 0.049 16.359 -10.388 1.00 0.00 C ATOM 945 OE1 GLN A 57 -0.963 17.019 -10.254 1.00 0.00 O ATOM 946 NE2 GLN A 57 1.020 16.798 -11.140 1.00 0.00 N ATOM 0 H GLN A 57 0.746 12.787 -9.485 1.00 0.00 H new ATOM 0 HA GLN A 57 2.343 13.840 -7.222 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.638 15.975 -8.388 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.347 14.835 -9.515 1.00 0.00 H new ATOM 0 HG2 GLN A 57 0.216 14.202 -10.411 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.657 14.832 -9.028 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.869 16.244 -11.252 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.930 17.696 -11.616 1.00 0.00 H new ATOM 955 N GLY A 58 0.632 14.649 -5.623 1.00 0.00 N ATOM 956 CA GLY A 58 -0.418 14.946 -4.605 1.00 0.00 C ATOM 957 C GLY A 58 -0.059 14.253 -3.290 1.00 0.00 C ATOM 958 O GLY A 58 1.076 14.273 -2.856 1.00 0.00 O ATOM 0 H GLY A 58 1.590 14.828 -5.322 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.498 16.022 -4.452 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.390 14.601 -4.957 1.00 0.00 H new ATOM 962 N TYR A 59 -1.016 13.638 -2.650 1.00 0.00 N ATOM 963 CA TYR A 59 -0.725 12.943 -1.363 1.00 0.00 C ATOM 964 C TYR A 59 -1.087 11.459 -1.473 1.00 0.00 C ATOM 965 O TYR A 59 -2.232 11.103 -1.673 1.00 0.00 O ATOM 966 CB TYR A 59 -1.612 13.635 -0.327 1.00 0.00 C ATOM 967 CG TYR A 59 -0.820 13.868 0.937 1.00 0.00 C ATOM 968 CD1 TYR A 59 -0.712 12.852 1.896 1.00 0.00 C ATOM 969 CD2 TYR A 59 -0.192 15.101 1.152 1.00 0.00 C ATOM 970 CE1 TYR A 59 0.024 13.069 3.067 1.00 0.00 C ATOM 971 CE2 TYR A 59 0.543 15.318 2.323 1.00 0.00 C ATOM 972 CZ TYR A 59 0.651 14.302 3.281 1.00 0.00 C ATOM 973 OH TYR A 59 1.377 14.516 4.436 1.00 0.00 O ATOM 0 H TYR A 59 -1.986 13.587 -2.962 1.00 0.00 H new ATOM 0 HA TYR A 59 0.330 12.996 -1.094 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.977 14.584 -0.720 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.487 13.021 -0.113 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.197 11.901 1.732 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.275 15.885 0.414 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.108 12.285 3.805 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.027 16.269 2.488 1.00 0.00 H new ATOM 0 HH TYR A 59 1.747 15.423 4.426 1.00 0.00 H new ATOM 983 N PHE A 60 -0.121 10.591 -1.349 1.00 0.00 N ATOM 984 CA PHE A 60 -0.409 9.131 -1.448 1.00 0.00 C ATOM 985 C PHE A 60 -0.202 8.458 -0.089 1.00 0.00 C ATOM 986 O PHE A 60 0.878 8.477 0.468 1.00 0.00 O ATOM 987 CB PHE A 60 0.594 8.601 -2.475 1.00 0.00 C ATOM 988 CG PHE A 60 0.695 7.098 -2.363 1.00 0.00 C ATOM 989 CD1 PHE A 60 -0.453 6.306 -2.500 1.00 0.00 C ATOM 990 CD2 PHE A 60 1.936 6.496 -2.122 1.00 0.00 C ATOM 991 CE1 PHE A 60 -0.358 4.913 -2.395 1.00 0.00 C ATOM 992 CE2 PHE A 60 2.029 5.102 -2.018 1.00 0.00 C ATOM 993 CZ PHE A 60 0.882 4.311 -2.154 1.00 0.00 C ATOM 0 H PHE A 60 0.857 10.829 -1.183 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.438 8.929 -1.744 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.280 8.880 -3.481 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.572 9.054 -2.309 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.410 6.770 -2.686 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.821 7.106 -2.016 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.243 4.303 -2.500 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.986 4.637 -1.833 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.954 3.236 -2.073 1.00 0.00 H new ATOM 1003 N LEU A 61 -1.228 7.860 0.449 1.00 0.00 N ATOM 1004 CA LEU A 61 -1.089 7.184 1.772 1.00 0.00 C ATOM 1005 C LEU A 61 -1.146 5.663 1.599 1.00 0.00 C ATOM 1006 O LEU A 61 -1.893 5.147 0.792 1.00 0.00 O ATOM 1007 CB LEU A 61 -2.281 7.675 2.596 1.00 0.00 C ATOM 1008 CG LEU A 61 -3.577 7.405 1.830 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -4.679 7.015 2.817 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -3.993 8.670 1.076 1.00 0.00 C ATOM 0 H LEU A 61 -2.157 7.809 0.031 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.138 7.413 2.254 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.304 7.167 3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.182 8.741 2.799 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.420 6.592 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.603 6.822 2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.382 6.116 3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.838 7.828 3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.917 8.480 0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.152 9.481 1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.207 8.951 0.375 1.00 0.00 H new ATOM 1022 N TRP A 62 -0.366 4.941 2.356 1.00 0.00 N ATOM 1023 CA TRP A 62 -0.378 3.453 2.241 1.00 0.00 C ATOM 1024 C TRP A 62 -0.929 2.846 3.533 1.00 0.00 C ATOM 1025 O TRP A 62 -0.520 3.208 4.618 1.00 0.00 O ATOM 1026 CB TRP A 62 1.088 3.064 2.042 1.00 0.00 C ATOM 1027 CG TRP A 62 1.239 1.580 2.150 1.00 0.00 C ATOM 1028 CD1 TRP A 62 0.841 0.688 1.215 1.00 0.00 C ATOM 1029 CD2 TRP A 62 1.824 0.802 3.233 1.00 0.00 C ATOM 1030 NE1 TRP A 62 1.144 -0.588 1.655 1.00 0.00 N ATOM 1031 CE2 TRP A 62 1.752 -0.569 2.893 1.00 0.00 C ATOM 1032 CE3 TRP A 62 2.406 1.152 4.465 1.00 0.00 C ATOM 1033 CZ2 TRP A 62 2.239 -1.560 3.747 1.00 0.00 C ATOM 1034 CZ3 TRP A 62 2.896 0.157 5.326 1.00 0.00 C ATOM 1035 CH2 TRP A 62 2.814 -1.196 4.966 1.00 0.00 C ATOM 0 H TRP A 62 0.280 5.317 3.050 1.00 0.00 H new ATOM 0 HA TRP A 62 -1.004 3.096 1.424 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.434 3.404 1.066 1.00 0.00 H new ATOM 0 HB3 TRP A 62 1.709 3.557 2.790 1.00 0.00 H new ATOM 0 HD1 TRP A 62 0.364 0.932 0.277 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.943 -1.438 1.129 1.00 0.00 H new ATOM 0 HE3 TRP A 62 2.476 2.191 4.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 2.171 -2.601 3.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 3.339 0.435 6.271 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.196 -1.956 5.632 1.00 0.00 H new ATOM 1046 N TYR A 63 -1.859 1.935 3.434 1.00 0.00 N ATOM 1047 CA TYR A 63 -2.426 1.330 4.670 1.00 0.00 C ATOM 1048 C TYR A 63 -2.521 -0.187 4.526 1.00 0.00 C ATOM 1049 O TYR A 63 -2.943 -0.699 3.508 1.00 0.00 O ATOM 1050 CB TYR A 63 -3.822 1.939 4.799 1.00 0.00 C ATOM 1051 CG TYR A 63 -3.753 3.203 5.620 1.00 0.00 C ATOM 1052 CD1 TYR A 63 -3.178 4.359 5.078 1.00 0.00 C ATOM 1053 CD2 TYR A 63 -4.266 3.221 6.923 1.00 0.00 C ATOM 1054 CE1 TYR A 63 -3.116 5.533 5.837 1.00 0.00 C ATOM 1055 CE2 TYR A 63 -4.204 4.396 7.684 1.00 0.00 C ATOM 1056 CZ TYR A 63 -3.629 5.551 7.139 1.00 0.00 C ATOM 1057 OH TYR A 63 -3.567 6.709 7.888 1.00 0.00 O ATOM 0 H TYR A 63 -2.247 1.587 2.558 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.807 1.527 5.545 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.226 2.158 3.811 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.498 1.225 5.269 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -2.782 4.345 4.073 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.709 2.329 7.341 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.673 6.424 5.418 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.599 4.411 8.689 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.968 6.551 8.768 1.00 0.00 H new ATOM 1067 N GLN A 64 -2.154 -0.911 5.545 1.00 0.00 N ATOM 1068 CA GLN A 64 -2.250 -2.393 5.466 1.00 0.00 C ATOM 1069 C GLN A 64 -3.601 -2.823 6.035 1.00 0.00 C ATOM 1070 O GLN A 64 -3.945 -2.499 7.155 1.00 0.00 O ATOM 1071 CB GLN A 64 -1.100 -2.924 6.321 1.00 0.00 C ATOM 1072 CG GLN A 64 0.163 -3.030 5.464 1.00 0.00 C ATOM 1073 CD GLN A 64 1.177 -3.945 6.155 1.00 0.00 C ATOM 1074 OE1 GLN A 64 1.115 -4.148 7.351 1.00 0.00 O ATOM 1075 NE2 GLN A 64 2.117 -4.510 5.445 1.00 0.00 N ATOM 0 H GLN A 64 -1.793 -0.542 6.425 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.180 -2.773 4.447 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.924 -2.259 7.167 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.358 -3.901 6.731 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.086 -3.425 4.479 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.595 -2.041 5.311 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.169 -4.340 4.441 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.798 -5.121 5.895 1.00 0.00 H new ATOM 1084 N VAL A 65 -4.388 -3.511 5.261 1.00 0.00 N ATOM 1085 CA VAL A 65 -5.734 -3.915 5.743 1.00 0.00 C ATOM 1086 C VAL A 65 -5.914 -5.433 5.692 1.00 0.00 C ATOM 1087 O VAL A 65 -5.110 -6.149 5.133 1.00 0.00 O ATOM 1088 CB VAL A 65 -6.677 -3.234 4.758 1.00 0.00 C ATOM 1089 CG1 VAL A 65 -6.382 -1.738 4.729 1.00 0.00 C ATOM 1090 CG2 VAL A 65 -6.442 -3.807 3.361 1.00 0.00 C ATOM 0 H VAL A 65 -4.157 -3.811 4.314 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.909 -3.632 6.781 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.709 -3.404 5.065 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.055 -1.248 4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.530 -1.319 5.724 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.350 -1.577 4.417 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.114 -3.324 2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.409 -3.627 3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.635 -4.880 3.371 1.00 0.00 H new ATOM 1100 N GLU A 66 -6.979 -5.923 6.266 1.00 0.00 N ATOM 1101 CA GLU A 66 -7.239 -7.390 6.247 1.00 0.00 C ATOM 1102 C GLU A 66 -8.639 -7.650 5.689 1.00 0.00 C ATOM 1103 O GLU A 66 -9.591 -7.823 6.423 1.00 0.00 O ATOM 1104 CB GLU A 66 -7.150 -7.837 7.705 1.00 0.00 C ATOM 1105 CG GLU A 66 -7.242 -9.361 7.767 1.00 0.00 C ATOM 1106 CD GLU A 66 -8.292 -9.768 8.804 1.00 0.00 C ATOM 1107 OE1 GLU A 66 -9.464 -9.767 8.462 1.00 0.00 O ATOM 1108 OE2 GLU A 66 -7.907 -10.073 9.920 1.00 0.00 O ATOM 0 H GLU A 66 -7.684 -5.367 6.750 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.530 -7.932 5.621 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.212 -7.499 8.145 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.955 -7.388 8.286 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.509 -9.760 6.788 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.273 -9.784 8.030 1.00 0.00 H new ATOM 1115 N MET A 67 -8.769 -7.659 4.394 1.00 0.00 N ATOM 1116 CA MET A 67 -10.106 -7.887 3.773 1.00 0.00 C ATOM 1117 C MET A 67 -9.985 -8.842 2.584 1.00 0.00 C ATOM 1118 O MET A 67 -8.923 -8.995 2.017 1.00 0.00 O ATOM 1119 CB MET A 67 -10.564 -6.505 3.306 1.00 0.00 C ATOM 1120 CG MET A 67 -9.443 -5.836 2.510 1.00 0.00 C ATOM 1121 SD MET A 67 -9.976 -4.188 1.985 1.00 0.00 S ATOM 1122 CE MET A 67 -9.663 -3.342 3.553 1.00 0.00 C ATOM 0 H MET A 67 -8.005 -7.518 3.734 1.00 0.00 H new ATOM 0 HA MET A 67 -10.812 -8.339 4.469 1.00 0.00 H new ATOM 0 HB2 MET A 67 -11.458 -6.596 2.689 1.00 0.00 H new ATOM 0 HB3 MET A 67 -10.831 -5.890 4.165 1.00 0.00 H new ATOM 0 HG2 MET A 67 -8.543 -5.761 3.121 1.00 0.00 H new ATOM 0 HG3 MET A 67 -9.189 -6.442 1.640 1.00 0.00 H new ATOM 0 HE1 MET A 67 -10.602 -2.960 3.954 1.00 0.00 H new ATOM 0 HE2 MET A 67 -9.223 -4.042 4.263 1.00 0.00 H new ATOM 0 HE3 MET A 67 -8.975 -2.513 3.388 1.00 0.00 H new ATOM 1132 N PRO A 68 -11.085 -9.458 2.250 1.00 0.00 N ATOM 1133 CA PRO A 68 -11.108 -10.415 1.116 1.00 0.00 C ATOM 1134 C PRO A 68 -10.874 -9.677 -0.206 1.00 0.00 C ATOM 1135 O PRO A 68 -10.807 -8.465 -0.246 1.00 0.00 O ATOM 1136 CB PRO A 68 -12.511 -11.017 1.184 1.00 0.00 C ATOM 1137 CG PRO A 68 -13.329 -9.992 1.900 1.00 0.00 C ATOM 1138 CD PRO A 68 -12.403 -9.318 2.878 1.00 0.00 C ATOM 0 HA PRO A 68 -10.329 -11.176 1.172 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.906 -11.214 0.187 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -12.509 -11.967 1.719 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.747 -9.269 1.199 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.169 -10.457 2.417 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.668 -8.271 3.026 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -12.435 -9.797 3.857 1.00 0.00 H new ATOM 1146 N GLU A 69 -10.735 -10.398 -1.284 1.00 0.00 N ATOM 1147 CA GLU A 69 -10.489 -9.745 -2.596 1.00 0.00 C ATOM 1148 C GLU A 69 -11.764 -9.065 -3.112 1.00 0.00 C ATOM 1149 O GLU A 69 -11.716 -8.228 -3.991 1.00 0.00 O ATOM 1150 CB GLU A 69 -10.063 -10.896 -3.510 1.00 0.00 C ATOM 1151 CG GLU A 69 -10.311 -10.519 -4.967 1.00 0.00 C ATOM 1152 CD GLU A 69 -9.270 -11.200 -5.856 1.00 0.00 C ATOM 1153 OE1 GLU A 69 -8.570 -12.066 -5.357 1.00 0.00 O ATOM 1154 OE2 GLU A 69 -9.187 -10.844 -7.020 1.00 0.00 O ATOM 0 H GLU A 69 -10.782 -11.417 -1.310 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.735 -8.959 -2.543 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.007 -11.121 -3.358 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.621 -11.798 -3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.314 -10.822 -5.266 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.256 -9.437 -5.088 1.00 0.00 H new ATOM 1161 N ASP A 70 -12.903 -9.420 -2.584 1.00 0.00 N ATOM 1162 CA ASP A 70 -14.169 -8.793 -3.063 1.00 0.00 C ATOM 1163 C ASP A 70 -14.431 -7.472 -2.333 1.00 0.00 C ATOM 1164 O ASP A 70 -14.909 -6.517 -2.912 1.00 0.00 O ATOM 1165 CB ASP A 70 -15.262 -9.808 -2.731 1.00 0.00 C ATOM 1166 CG ASP A 70 -16.618 -9.263 -3.182 1.00 0.00 C ATOM 1167 OD1 ASP A 70 -16.923 -8.132 -2.841 1.00 0.00 O ATOM 1168 OD2 ASP A 70 -17.330 -9.987 -3.858 1.00 0.00 O ATOM 0 H ASP A 70 -13.013 -10.114 -1.845 1.00 0.00 H new ATOM 0 HA ASP A 70 -14.130 -8.560 -4.127 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -15.056 -10.756 -3.228 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -15.276 -10.006 -1.659 1.00 0.00 H new ATOM 1173 N ARG A 71 -14.127 -7.411 -1.067 1.00 0.00 N ATOM 1174 CA ARG A 71 -14.365 -6.161 -0.302 1.00 0.00 C ATOM 1175 C ARG A 71 -13.511 -5.021 -0.861 1.00 0.00 C ATOM 1176 O ARG A 71 -13.692 -3.870 -0.515 1.00 0.00 O ATOM 1177 CB ARG A 71 -13.953 -6.488 1.133 1.00 0.00 C ATOM 1178 CG ARG A 71 -15.202 -6.610 2.008 1.00 0.00 C ATOM 1179 CD ARG A 71 -14.842 -7.322 3.314 1.00 0.00 C ATOM 1180 NE ARG A 71 -16.090 -7.291 4.127 1.00 0.00 N ATOM 1181 CZ ARG A 71 -16.512 -8.377 4.715 1.00 0.00 C ATOM 1182 NH1 ARG A 71 -15.659 -9.190 5.275 1.00 0.00 N ATOM 1183 NH2 ARG A 71 -17.790 -8.648 4.744 1.00 0.00 N ATOM 0 H ARG A 71 -13.722 -8.177 -0.529 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.403 -5.834 -0.363 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.387 -7.419 1.157 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -13.299 -5.708 1.522 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.608 -5.621 2.220 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -15.976 -7.166 1.480 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -14.517 -8.346 3.129 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -14.024 -6.816 3.827 1.00 0.00 H new ATOM 0 HE ARG A 71 -16.614 -6.421 4.224 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -14.662 -8.977 5.253 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -15.989 -10.039 5.734 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -18.456 -8.011 4.307 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -18.121 -9.496 5.203 1.00 0.00 H new ATOM 1197 N VAL A 72 -12.579 -5.329 -1.720 1.00 0.00 N ATOM 1198 CA VAL A 72 -11.718 -4.258 -2.291 1.00 0.00 C ATOM 1199 C VAL A 72 -12.560 -3.289 -3.121 1.00 0.00 C ATOM 1200 O VAL A 72 -12.422 -2.087 -3.018 1.00 0.00 O ATOM 1201 CB VAL A 72 -10.700 -4.990 -3.166 1.00 0.00 C ATOM 1202 CG1 VAL A 72 -11.348 -5.419 -4.485 1.00 0.00 C ATOM 1203 CG2 VAL A 72 -9.532 -4.055 -3.459 1.00 0.00 C ATOM 0 H VAL A 72 -12.377 -6.273 -2.050 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.229 -3.663 -1.520 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.347 -5.877 -2.640 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.613 -5.939 -5.099 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -12.186 -6.085 -4.279 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -11.707 -4.538 -5.017 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.801 -4.570 -4.083 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.896 -3.171 -3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.062 -3.755 -2.522 1.00 0.00 H new ATOM 1213 N ASN A 73 -13.437 -3.800 -3.936 1.00 0.00 N ATOM 1214 CA ASN A 73 -14.294 -2.902 -4.761 1.00 0.00 C ATOM 1215 C ASN A 73 -15.190 -2.068 -3.844 1.00 0.00 C ATOM 1216 O ASN A 73 -15.418 -0.897 -4.076 1.00 0.00 O ATOM 1217 CB ASN A 73 -15.131 -3.839 -5.633 1.00 0.00 C ATOM 1218 CG ASN A 73 -15.799 -3.037 -6.752 1.00 0.00 C ATOM 1219 OD1 ASN A 73 -16.694 -2.253 -6.503 1.00 0.00 O ATOM 1220 ND2 ASN A 73 -15.399 -3.201 -7.983 1.00 0.00 N ATOM 0 H ASN A 73 -13.599 -4.798 -4.068 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.714 -2.206 -5.367 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -14.499 -4.619 -6.058 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -15.888 -4.337 -5.027 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -15.837 -2.671 -8.737 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -14.648 -3.859 -8.192 1.00 0.00 H new ATOM 1227 N ASP A 74 -15.697 -2.667 -2.801 1.00 0.00 N ATOM 1228 CA ASP A 74 -16.576 -1.927 -1.859 1.00 0.00 C ATOM 1229 C ASP A 74 -15.801 -0.788 -1.190 1.00 0.00 C ATOM 1230 O ASP A 74 -16.252 0.339 -1.140 1.00 0.00 O ATOM 1231 CB ASP A 74 -17.000 -2.966 -0.822 1.00 0.00 C ATOM 1232 CG ASP A 74 -18.113 -2.389 0.054 1.00 0.00 C ATOM 1233 OD1 ASP A 74 -18.099 -1.192 0.284 1.00 0.00 O ATOM 1234 OD2 ASP A 74 -18.962 -3.156 0.481 1.00 0.00 O ATOM 0 H ASP A 74 -15.537 -3.645 -2.562 1.00 0.00 H new ATOM 0 HA ASP A 74 -17.431 -1.474 -2.361 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -17.347 -3.871 -1.320 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -16.147 -3.249 -0.205 1.00 0.00 H new ATOM 1239 N LEU A 75 -14.641 -1.078 -0.669 1.00 0.00 N ATOM 1240 CA LEU A 75 -13.836 -0.032 0.002 1.00 0.00 C ATOM 1241 C LEU A 75 -13.625 1.166 -0.927 1.00 0.00 C ATOM 1242 O LEU A 75 -13.830 2.302 -0.551 1.00 0.00 O ATOM 1243 CB LEU A 75 -12.501 -0.720 0.306 1.00 0.00 C ATOM 1244 CG LEU A 75 -12.077 -0.402 1.739 1.00 0.00 C ATOM 1245 CD1 LEU A 75 -12.395 1.059 2.030 1.00 0.00 C ATOM 1246 CD2 LEU A 75 -12.848 -1.297 2.712 1.00 0.00 C ATOM 0 H LEU A 75 -14.217 -2.005 -0.682 1.00 0.00 H new ATOM 0 HA LEU A 75 -14.320 0.356 0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.597 -1.798 0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.737 -0.381 -0.394 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.009 -0.581 1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.097 1.300 3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.850 1.696 1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -13.466 1.228 1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.545 -1.069 3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.917 -1.117 2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.632 -2.343 2.494 1.00 0.00 H new ATOM 1258 N ALA A 76 -13.231 0.917 -2.139 1.00 0.00 N ATOM 1259 CA ALA A 76 -13.023 2.031 -3.106 1.00 0.00 C ATOM 1260 C ALA A 76 -14.368 2.692 -3.369 1.00 0.00 C ATOM 1261 O ALA A 76 -14.487 3.893 -3.499 1.00 0.00 O ATOM 1262 CB ALA A 76 -12.482 1.371 -4.374 1.00 0.00 C ATOM 0 H ALA A 76 -13.042 -0.015 -2.507 1.00 0.00 H new ATOM 0 HA ALA A 76 -12.336 2.796 -2.743 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.304 2.133 -5.133 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -11.547 0.860 -4.147 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.209 0.649 -4.747 1.00 0.00 H new ATOM 1268 N ARG A 77 -15.375 1.881 -3.446 1.00 0.00 N ATOM 1269 CA ARG A 77 -16.749 2.377 -3.701 1.00 0.00 C ATOM 1270 C ARG A 77 -17.153 3.418 -2.651 1.00 0.00 C ATOM 1271 O ARG A 77 -17.787 4.408 -2.959 1.00 0.00 O ATOM 1272 CB ARG A 77 -17.596 1.116 -3.562 1.00 0.00 C ATOM 1273 CG ARG A 77 -18.259 0.788 -4.901 1.00 0.00 C ATOM 1274 CD ARG A 77 -19.444 -0.153 -4.669 1.00 0.00 C ATOM 1275 NE ARG A 77 -18.895 -1.521 -4.885 1.00 0.00 N ATOM 1276 CZ ARG A 77 -19.616 -2.568 -4.589 1.00 0.00 C ATOM 1277 NH1 ARG A 77 -20.550 -2.969 -5.406 1.00 0.00 N ATOM 1278 NH2 ARG A 77 -19.403 -3.212 -3.474 1.00 0.00 N ATOM 0 H ARG A 77 -15.303 0.869 -3.340 1.00 0.00 H new ATOM 0 HA ARG A 77 -16.859 2.868 -4.668 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -16.973 0.282 -3.240 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -18.357 1.260 -2.795 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -18.598 1.704 -5.385 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -17.537 0.322 -5.572 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -19.845 -0.043 -3.661 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -20.259 0.060 -5.361 1.00 0.00 H new ATOM 0 HE ARG A 77 -17.956 -1.639 -5.264 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -20.717 -2.464 -6.277 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -21.113 -3.787 -5.174 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -18.673 -2.897 -2.834 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -19.966 -4.030 -3.242 1.00 0.00 H new ATOM 1292 N GLU A 78 -16.788 3.208 -1.415 1.00 0.00 N ATOM 1293 CA GLU A 78 -17.146 4.187 -0.350 1.00 0.00 C ATOM 1294 C GLU A 78 -16.307 5.452 -0.514 1.00 0.00 C ATOM 1295 O GLU A 78 -16.802 6.561 -0.490 1.00 0.00 O ATOM 1296 CB GLU A 78 -16.816 3.440 0.953 1.00 0.00 C ATOM 1297 CG GLU A 78 -15.479 3.898 1.550 1.00 0.00 C ATOM 1298 CD GLU A 78 -15.352 3.364 2.978 1.00 0.00 C ATOM 1299 OE1 GLU A 78 -16.219 2.608 3.385 1.00 0.00 O ATOM 1300 OE2 GLU A 78 -14.391 3.720 3.639 1.00 0.00 O ATOM 0 H GLU A 78 -16.256 2.398 -1.097 1.00 0.00 H new ATOM 0 HA GLU A 78 -18.186 4.512 -0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -17.613 3.605 1.678 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -16.779 2.368 0.758 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -14.652 3.536 0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.422 4.987 1.550 1.00 0.00 H new ATOM 1307 N LEU A 79 -15.034 5.271 -0.676 1.00 0.00 N ATOM 1308 CA LEU A 79 -14.116 6.436 -0.844 1.00 0.00 C ATOM 1309 C LEU A 79 -14.533 7.271 -2.056 1.00 0.00 C ATOM 1310 O LEU A 79 -14.366 8.473 -2.083 1.00 0.00 O ATOM 1311 CB LEU A 79 -12.738 5.822 -1.080 1.00 0.00 C ATOM 1312 CG LEU A 79 -11.910 5.903 0.203 1.00 0.00 C ATOM 1313 CD1 LEU A 79 -12.723 5.348 1.374 1.00 0.00 C ATOM 1314 CD2 LEU A 79 -10.634 5.077 0.033 1.00 0.00 C ATOM 0 H LEU A 79 -14.579 4.358 -0.700 1.00 0.00 H new ATOM 0 HA LEU A 79 -14.131 7.097 0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.841 4.783 -1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.228 6.348 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 79 -11.650 6.942 0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -12.131 5.406 2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -13.635 5.933 1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -12.983 4.308 1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.041 5.132 0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.897 4.038 -0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.054 5.471 -0.801 1.00 0.00 H new ATOM 1326 N ARG A 80 -15.065 6.638 -3.062 1.00 0.00 N ATOM 1327 CA ARG A 80 -15.489 7.385 -4.280 1.00 0.00 C ATOM 1328 C ARG A 80 -16.694 8.281 -3.975 1.00 0.00 C ATOM 1329 O ARG A 80 -16.949 9.247 -4.666 1.00 0.00 O ATOM 1330 CB ARG A 80 -15.870 6.296 -5.284 1.00 0.00 C ATOM 1331 CG ARG A 80 -16.417 6.945 -6.555 1.00 0.00 C ATOM 1332 CD ARG A 80 -15.419 7.982 -7.070 1.00 0.00 C ATOM 1333 NE ARG A 80 -15.818 8.225 -8.483 1.00 0.00 N ATOM 1334 CZ ARG A 80 -15.074 8.969 -9.255 1.00 0.00 C ATOM 1335 NH1 ARG A 80 -13.783 8.780 -9.298 1.00 0.00 N ATOM 1336 NH2 ARG A 80 -15.622 9.901 -9.984 1.00 0.00 N ATOM 0 H ARG A 80 -15.226 5.631 -3.095 1.00 0.00 H new ATOM 0 HA ARG A 80 -14.704 8.042 -4.656 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -15.000 5.684 -5.521 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -16.618 5.632 -4.851 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -16.593 6.185 -7.317 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -17.377 7.419 -6.349 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -15.464 8.899 -6.483 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.396 7.612 -7.006 1.00 0.00 H new ATOM 0 HE ARG A 80 -16.675 7.809 -8.849 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.355 8.050 -8.728 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.202 9.362 -9.902 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -16.631 10.048 -9.950 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.042 10.483 -10.588 1.00 0.00 H new ATOM 1350 N ILE A 81 -17.451 7.954 -2.963 1.00 0.00 N ATOM 1351 CA ILE A 81 -18.654 8.770 -2.630 1.00 0.00 C ATOM 1352 C ILE A 81 -18.274 10.194 -2.196 1.00 0.00 C ATOM 1353 O ILE A 81 -18.844 11.159 -2.663 1.00 0.00 O ATOM 1354 CB ILE A 81 -19.316 8.020 -1.477 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -19.621 6.585 -1.914 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -20.617 8.719 -1.094 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -20.497 5.904 -0.861 1.00 0.00 C ATOM 0 H ILE A 81 -17.288 7.155 -2.351 1.00 0.00 H new ATOM 0 HA ILE A 81 -19.311 8.888 -3.492 1.00 0.00 H new ATOM 0 HB ILE A 81 -18.644 8.007 -0.619 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -20.129 6.588 -2.878 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -18.693 6.029 -2.045 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -21.089 8.183 -0.271 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -20.403 9.742 -0.786 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -21.289 8.732 -1.952 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -20.714 4.882 -1.173 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -19.972 5.888 0.094 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -21.431 6.456 -0.752 1.00 0.00 H new ATOM 1369 N ARG A 82 -17.339 10.342 -1.295 1.00 0.00 N ATOM 1370 CA ARG A 82 -16.976 11.722 -0.840 1.00 0.00 C ATOM 1371 C ARG A 82 -16.404 12.557 -1.979 1.00 0.00 C ATOM 1372 O ARG A 82 -15.790 12.060 -2.903 1.00 0.00 O ATOM 1373 CB ARG A 82 -15.939 11.577 0.271 1.00 0.00 C ATOM 1374 CG ARG A 82 -14.774 10.692 -0.185 1.00 0.00 C ATOM 1375 CD ARG A 82 -13.998 10.200 1.038 1.00 0.00 C ATOM 1376 NE ARG A 82 -15.032 9.624 1.942 1.00 0.00 N ATOM 1377 CZ ARG A 82 -14.790 9.498 3.219 1.00 0.00 C ATOM 1378 NH1 ARG A 82 -14.991 10.506 4.024 1.00 0.00 N ATOM 1379 NH2 ARG A 82 -14.346 8.366 3.691 1.00 0.00 N ATOM 0 H ARG A 82 -16.817 9.582 -0.859 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.869 12.237 -0.484 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.565 12.560 0.556 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.406 11.145 1.156 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.150 9.843 -0.756 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.114 11.254 -0.846 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -13.255 9.452 0.760 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -13.462 11.017 1.521 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.931 9.327 1.563 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -15.337 11.392 3.655 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -14.802 10.408 5.021 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -14.188 7.578 3.062 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -14.157 8.268 4.689 1.00 0.00 H new ATOM 1393 N ASP A 83 -16.617 13.834 -1.895 1.00 0.00 N ATOM 1394 CA ASP A 83 -16.112 14.769 -2.944 1.00 0.00 C ATOM 1395 C ASP A 83 -14.592 14.945 -2.842 1.00 0.00 C ATOM 1396 O ASP A 83 -13.918 15.167 -3.828 1.00 0.00 O ATOM 1397 CB ASP A 83 -16.822 16.094 -2.662 1.00 0.00 C ATOM 1398 CG ASP A 83 -16.883 16.924 -3.946 1.00 0.00 C ATOM 1399 OD1 ASP A 83 -17.834 16.756 -4.691 1.00 0.00 O ATOM 1400 OD2 ASP A 83 -15.979 17.713 -4.163 1.00 0.00 O ATOM 0 H ASP A 83 -17.127 14.282 -1.134 1.00 0.00 H new ATOM 0 HA ASP A 83 -16.311 14.395 -3.948 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -17.829 15.907 -2.289 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -16.292 16.645 -1.885 1.00 0.00 H new ATOM 1405 N ASN A 84 -14.052 14.873 -1.656 1.00 0.00 N ATOM 1406 CA ASN A 84 -12.581 15.064 -1.493 1.00 0.00 C ATOM 1407 C ASN A 84 -11.805 13.969 -2.229 1.00 0.00 C ATOM 1408 O ASN A 84 -10.683 14.172 -2.650 1.00 0.00 O ATOM 1409 CB ASN A 84 -12.336 14.981 0.013 1.00 0.00 C ATOM 1410 CG ASN A 84 -13.142 16.073 0.719 1.00 0.00 C ATOM 1411 OD1 ASN A 84 -14.200 15.812 1.255 1.00 0.00 O ATOM 1412 ND2 ASN A 84 -12.684 17.295 0.740 1.00 0.00 N ATOM 0 H ASN A 84 -14.564 14.690 -0.793 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.244 16.013 -1.911 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.627 13.999 0.387 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.274 15.101 0.227 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.215 18.031 1.207 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.795 17.514 0.290 1.00 0.00 H new ATOM 1419 N VAL A 85 -12.386 12.815 -2.395 1.00 0.00 N ATOM 1420 CA VAL A 85 -11.670 11.726 -3.110 1.00 0.00 C ATOM 1421 C VAL A 85 -11.974 11.797 -4.607 1.00 0.00 C ATOM 1422 O VAL A 85 -13.115 11.739 -5.021 1.00 0.00 O ATOM 1423 CB VAL A 85 -12.222 10.434 -2.512 1.00 0.00 C ATOM 1424 CG1 VAL A 85 -11.785 9.249 -3.371 1.00 0.00 C ATOM 1425 CG2 VAL A 85 -11.684 10.262 -1.090 1.00 0.00 C ATOM 0 H VAL A 85 -13.323 12.580 -2.067 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.588 11.796 -3.000 1.00 0.00 H new ATOM 0 HB VAL A 85 -13.311 10.480 -2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.179 8.326 -2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.168 9.373 -4.384 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -10.696 9.201 -3.398 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -12.077 9.340 -0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.595 10.215 -1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.996 11.108 -0.478 1.00 0.00 H new ATOM 1435 N ARG A 86 -10.965 11.923 -5.424 1.00 0.00 N ATOM 1436 CA ARG A 86 -11.209 11.996 -6.892 1.00 0.00 C ATOM 1437 C ARG A 86 -11.216 10.590 -7.494 1.00 0.00 C ATOM 1438 O ARG A 86 -11.970 10.298 -8.401 1.00 0.00 O ATOM 1439 CB ARG A 86 -10.046 12.817 -7.450 1.00 0.00 C ATOM 1440 CG ARG A 86 -10.534 14.230 -7.780 1.00 0.00 C ATOM 1441 CD ARG A 86 -11.476 14.176 -8.985 1.00 0.00 C ATOM 1442 NE ARG A 86 -12.485 15.241 -8.732 1.00 0.00 N ATOM 1443 CZ ARG A 86 -13.667 15.161 -9.279 1.00 0.00 C ATOM 1444 NH1 ARG A 86 -14.458 14.165 -8.983 1.00 0.00 N ATOM 1445 NH2 ARG A 86 -14.060 16.076 -10.122 1.00 0.00 N ATOM 0 H ARG A 86 -9.987 11.978 -5.141 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.172 12.448 -7.129 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.235 12.861 -6.723 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.646 12.340 -8.345 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.050 14.658 -6.921 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.685 14.878 -7.997 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.937 14.355 -9.916 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.948 13.198 -9.073 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.253 16.032 -8.132 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.152 13.449 -8.324 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.382 14.103 -9.411 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.443 16.855 -10.354 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.984 16.013 -10.549 1.00 0.00 H new ATOM 1459 N ARG A 87 -10.386 9.716 -6.995 1.00 0.00 N ATOM 1460 CA ARG A 87 -10.353 8.332 -7.542 1.00 0.00 C ATOM 1461 C ARG A 87 -9.982 7.334 -6.446 1.00 0.00 C ATOM 1462 O ARG A 87 -9.461 7.697 -5.409 1.00 0.00 O ATOM 1463 CB ARG A 87 -9.268 8.356 -8.615 1.00 0.00 C ATOM 1464 CG ARG A 87 -9.534 9.499 -9.595 1.00 0.00 C ATOM 1465 CD ARG A 87 -8.580 9.379 -10.784 1.00 0.00 C ATOM 1466 NE ARG A 87 -9.218 10.169 -11.872 1.00 0.00 N ATOM 1467 CZ ARG A 87 -9.136 11.471 -11.864 1.00 0.00 C ATOM 1468 NH1 ARG A 87 -9.776 12.160 -10.960 1.00 0.00 N ATOM 1469 NH2 ARG A 87 -8.412 12.084 -12.760 1.00 0.00 N ATOM 0 H ARG A 87 -9.732 9.900 -6.235 1.00 0.00 H new ATOM 0 HA ARG A 87 -11.322 8.028 -7.939 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.289 8.482 -8.152 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.249 7.405 -9.148 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -10.568 9.465 -9.939 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -9.395 10.459 -9.098 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.593 9.771 -10.539 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.446 8.338 -11.079 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.719 9.693 -12.623 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.341 11.681 -10.259 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.711 13.178 -10.954 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.911 11.545 -13.466 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.348 13.102 -12.754 1.00 0.00 H new ATOM 1483 N VAL A 88 -10.234 6.077 -6.676 1.00 0.00 N ATOM 1484 CA VAL A 88 -9.887 5.044 -5.662 1.00 0.00 C ATOM 1485 C VAL A 88 -9.068 3.935 -6.327 1.00 0.00 C ATOM 1486 O VAL A 88 -9.510 3.306 -7.268 1.00 0.00 O ATOM 1487 CB VAL A 88 -11.226 4.497 -5.153 1.00 0.00 C ATOM 1488 CG1 VAL A 88 -11.775 5.421 -4.066 1.00 0.00 C ATOM 1489 CG2 VAL A 88 -12.235 4.418 -6.304 1.00 0.00 C ATOM 0 H VAL A 88 -10.668 5.719 -7.527 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.291 5.448 -4.844 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.068 3.499 -4.745 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.727 5.032 -3.704 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -11.066 5.472 -3.240 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.924 6.419 -4.478 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -13.182 4.028 -5.931 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.391 5.413 -6.720 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.851 3.756 -7.080 1.00 0.00 H new ATOM 1499 N MET A 89 -7.877 3.697 -5.853 1.00 0.00 N ATOM 1500 CA MET A 89 -7.033 2.634 -6.469 1.00 0.00 C ATOM 1501 C MET A 89 -6.499 1.687 -5.393 1.00 0.00 C ATOM 1502 O MET A 89 -5.762 2.084 -4.513 1.00 0.00 O ATOM 1503 CB MET A 89 -5.882 3.386 -7.137 1.00 0.00 C ATOM 1504 CG MET A 89 -5.987 3.242 -8.656 1.00 0.00 C ATOM 1505 SD MET A 89 -4.499 3.918 -9.433 1.00 0.00 S ATOM 1506 CE MET A 89 -4.111 2.485 -10.466 1.00 0.00 C ATOM 0 H MET A 89 -7.452 4.191 -5.068 1.00 0.00 H new ATOM 0 HA MET A 89 -7.592 2.023 -7.178 1.00 0.00 H new ATOM 0 HB2 MET A 89 -5.913 4.439 -6.859 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.927 2.992 -6.790 1.00 0.00 H new ATOM 0 HG2 MET A 89 -6.105 2.192 -8.925 1.00 0.00 H new ATOM 0 HG3 MET A 89 -6.870 3.766 -9.021 1.00 0.00 H new ATOM 0 HE1 MET A 89 -3.209 2.687 -11.044 1.00 0.00 H new ATOM 0 HE2 MET A 89 -3.948 1.613 -9.832 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.941 2.290 -11.145 1.00 0.00 H new ATOM 1516 N VAL A 90 -6.859 0.435 -5.459 1.00 0.00 N ATOM 1517 CA VAL A 90 -6.363 -0.533 -4.442 1.00 0.00 C ATOM 1518 C VAL A 90 -5.212 -1.358 -5.021 1.00 0.00 C ATOM 1519 O VAL A 90 -5.325 -1.941 -6.081 1.00 0.00 O ATOM 1520 CB VAL A 90 -7.559 -1.431 -4.127 1.00 0.00 C ATOM 1521 CG1 VAL A 90 -7.866 -2.319 -5.336 1.00 0.00 C ATOM 1522 CG2 VAL A 90 -7.223 -2.312 -2.922 1.00 0.00 C ATOM 0 H VAL A 90 -7.474 0.041 -6.172 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.984 -0.035 -3.549 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.429 -0.814 -3.901 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.719 -2.959 -5.110 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.100 -1.693 -6.197 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.998 -2.938 -5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.073 -2.955 -2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.354 -2.928 -3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.002 -1.682 -2.061 1.00 0.00 H new ATOM 1532 N VAL A 91 -4.106 -1.411 -4.333 1.00 0.00 N ATOM 1533 CA VAL A 91 -2.950 -2.202 -4.844 1.00 0.00 C ATOM 1534 C VAL A 91 -2.575 -3.286 -3.836 1.00 0.00 C ATOM 1535 O VAL A 91 -2.810 -3.155 -2.650 1.00 0.00 O ATOM 1536 CB VAL A 91 -1.800 -1.203 -4.994 1.00 0.00 C ATOM 1537 CG1 VAL A 91 -0.743 -1.784 -5.936 1.00 0.00 C ATOM 1538 CG2 VAL A 91 -2.326 0.114 -5.572 1.00 0.00 C ATOM 0 H VAL A 91 -3.952 -0.942 -3.440 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.181 -2.696 -5.788 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.358 -1.015 -4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.077 -1.074 -6.045 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.362 -2.718 -5.524 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.190 -1.974 -6.912 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.502 0.820 -5.676 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.772 -0.070 -6.549 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.079 0.530 -4.902 1.00 0.00 H new ATOM 1548 N LYS A 92 -1.990 -4.354 -4.294 1.00 0.00 N ATOM 1549 CA LYS A 92 -1.595 -5.442 -3.359 1.00 0.00 C ATOM 1550 C LYS A 92 -0.426 -4.977 -2.489 1.00 0.00 C ATOM 1551 O LYS A 92 0.293 -4.062 -2.838 1.00 0.00 O ATOM 1552 CB LYS A 92 -1.170 -6.603 -4.256 1.00 0.00 C ATOM 1553 CG LYS A 92 0.050 -6.188 -5.075 1.00 0.00 C ATOM 1554 CD LYS A 92 -0.182 -6.542 -6.545 1.00 0.00 C ATOM 1555 CE LYS A 92 1.141 -6.462 -7.309 1.00 0.00 C ATOM 1556 NZ LYS A 92 0.760 -6.555 -8.746 1.00 0.00 N ATOM 0 H LYS A 92 -1.768 -4.522 -5.275 1.00 0.00 H new ATOM 0 HA LYS A 92 -2.403 -5.728 -2.686 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.935 -7.478 -3.650 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.989 -6.884 -4.919 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.225 -5.117 -4.970 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.941 -6.694 -4.704 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.600 -7.545 -6.626 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.908 -5.858 -6.984 1.00 0.00 H new ATOM 0 HE2 LYS A 92 1.663 -5.529 -7.098 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.811 -7.273 -7.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.615 -6.507 -9.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.271 -7.457 -8.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.127 -5.766 -8.989 1.00 0.00 H new ATOM 1570 N SER A 93 -0.234 -5.593 -1.360 1.00 0.00 N ATOM 1571 CA SER A 93 0.886 -5.181 -0.468 1.00 0.00 C ATOM 1572 C SER A 93 1.320 -6.352 0.416 1.00 0.00 C ATOM 1573 O SER A 93 0.965 -6.432 1.575 1.00 0.00 O ATOM 1574 CB SER A 93 0.311 -4.049 0.384 1.00 0.00 C ATOM 1575 OG SER A 93 1.175 -2.924 0.313 1.00 0.00 O ATOM 0 H SER A 93 -0.804 -6.365 -1.014 1.00 0.00 H new ATOM 0 HA SER A 93 1.767 -4.866 -1.028 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.684 -3.781 0.030 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.204 -4.375 1.419 1.00 0.00 H new ATOM 0 HG SER A 93 1.841 -2.977 1.030 1.00 0.00 H new ATOM 1581 N GLN A 94 2.085 -7.260 -0.123 1.00 0.00 N ATOM 1582 CA GLN A 94 2.541 -8.424 0.688 1.00 0.00 C ATOM 1583 C GLN A 94 3.853 -8.978 0.126 1.00 0.00 C ATOM 1584 O GLN A 94 3.926 -9.387 -1.016 1.00 0.00 O ATOM 1585 CB GLN A 94 1.425 -9.460 0.560 1.00 0.00 C ATOM 1586 CG GLN A 94 1.039 -9.619 -0.911 1.00 0.00 C ATOM 1587 CD GLN A 94 -0.002 -10.731 -1.046 1.00 0.00 C ATOM 1588 OE1 GLN A 94 0.314 -11.896 -0.905 1.00 0.00 O ATOM 1589 NE2 GLN A 94 -1.240 -10.419 -1.317 1.00 0.00 N ATOM 0 H GLN A 94 2.414 -7.247 -1.088 1.00 0.00 H new ATOM 0 HA GLN A 94 2.728 -8.154 1.727 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.755 -10.417 0.965 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.558 -9.149 1.142 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.638 -8.682 -1.296 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.921 -9.857 -1.506 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.505 -9.441 -1.435 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.942 -11.153 -1.410 1.00 0.00 H new ATOM 1598 N GLU A 95 4.885 -8.997 0.921 1.00 0.00 N ATOM 1599 CA GLU A 95 6.191 -9.527 0.436 1.00 0.00 C ATOM 1600 C GLU A 95 6.441 -10.917 1.028 1.00 0.00 C ATOM 1601 O GLU A 95 6.249 -11.131 2.209 1.00 0.00 O ATOM 1602 CB GLU A 95 7.234 -8.529 0.939 1.00 0.00 C ATOM 1603 CG GLU A 95 7.403 -8.686 2.451 1.00 0.00 C ATOM 1604 CD GLU A 95 8.152 -7.474 3.008 1.00 0.00 C ATOM 1605 OE1 GLU A 95 7.687 -6.365 2.796 1.00 0.00 O ATOM 1606 OE2 GLU A 95 9.179 -7.673 3.635 1.00 0.00 O ATOM 0 H GLU A 95 4.882 -8.668 1.887 1.00 0.00 H new ATOM 0 HA GLU A 95 6.223 -9.632 -0.648 1.00 0.00 H new ATOM 0 HB2 GLU A 95 8.186 -8.698 0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.924 -7.512 0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.428 -8.776 2.929 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.953 -9.601 2.673 1.00 0.00 H new ATOM 1613 N PRO A 96 6.859 -11.819 0.182 1.00 0.00 N ATOM 1614 CA PRO A 96 7.136 -13.207 0.626 1.00 0.00 C ATOM 1615 C PRO A 96 8.415 -13.255 1.465 1.00 0.00 C ATOM 1616 O PRO A 96 9.383 -13.895 1.104 1.00 0.00 O ATOM 1617 CB PRO A 96 7.313 -13.972 -0.683 1.00 0.00 C ATOM 1618 CG PRO A 96 7.733 -12.939 -1.680 1.00 0.00 C ATOM 1619 CD PRO A 96 7.112 -11.635 -1.251 1.00 0.00 C ATOM 0 HA PRO A 96 6.347 -13.623 1.253 1.00 0.00 H new ATOM 0 HB2 PRO A 96 8.065 -14.755 -0.584 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.385 -14.458 -0.985 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.819 -12.856 -1.715 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.402 -13.213 -2.682 1.00 0.00 H new ATOM 0 HD2 PRO A 96 7.782 -10.794 -1.434 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.190 -11.433 -1.797 1.00 0.00 H new ATOM 1627 N PHE A 97 8.428 -12.583 2.585 1.00 0.00 N ATOM 1628 CA PHE A 97 9.646 -12.592 3.444 1.00 0.00 C ATOM 1629 C PHE A 97 9.309 -12.097 4.853 1.00 0.00 C ATOM 1630 O PHE A 97 8.179 -11.765 5.152 1.00 0.00 O ATOM 1631 CB PHE A 97 10.618 -11.634 2.758 1.00 0.00 C ATOM 1632 CG PHE A 97 11.842 -12.398 2.313 1.00 0.00 C ATOM 1633 CD1 PHE A 97 12.905 -12.594 3.203 1.00 0.00 C ATOM 1634 CD2 PHE A 97 11.914 -12.909 1.013 1.00 0.00 C ATOM 1635 CE1 PHE A 97 14.040 -13.303 2.792 1.00 0.00 C ATOM 1636 CE2 PHE A 97 13.049 -13.618 0.602 1.00 0.00 C ATOM 1637 CZ PHE A 97 14.112 -13.814 1.491 1.00 0.00 C ATOM 0 H PHE A 97 7.649 -12.029 2.941 1.00 0.00 H new ATOM 0 HA PHE A 97 10.065 -13.592 3.554 1.00 0.00 H new ATOM 0 HB2 PHE A 97 10.138 -11.163 1.900 1.00 0.00 H new ATOM 0 HB3 PHE A 97 10.903 -10.835 3.442 1.00 0.00 H new ATOM 0 HD1 PHE A 97 12.849 -12.198 4.206 1.00 0.00 H new ATOM 0 HD2 PHE A 97 11.094 -12.757 0.327 1.00 0.00 H new ATOM 0 HE1 PHE A 97 14.860 -13.456 3.479 1.00 0.00 H new ATOM 0 HE2 PHE A 97 13.104 -14.014 -0.401 1.00 0.00 H new ATOM 0 HZ PHE A 97 14.988 -14.360 1.173 1.00 0.00 H new ATOM 1647 N LEU A 98 10.283 -12.048 5.720 1.00 0.00 N ATOM 1648 CA LEU A 98 10.020 -11.578 7.111 1.00 0.00 C ATOM 1649 C LEU A 98 11.315 -11.071 7.753 1.00 0.00 C ATOM 1650 O LEU A 98 11.954 -11.768 8.517 1.00 0.00 O ATOM 1651 CB LEU A 98 9.503 -12.811 7.851 1.00 0.00 C ATOM 1652 CG LEU A 98 10.481 -13.970 7.658 1.00 0.00 C ATOM 1653 CD1 LEU A 98 10.888 -14.529 9.022 1.00 0.00 C ATOM 1654 CD2 LEU A 98 9.808 -15.072 6.837 1.00 0.00 C ATOM 0 H LEU A 98 11.249 -12.313 5.526 1.00 0.00 H new ATOM 0 HA LEU A 98 9.308 -10.754 7.141 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.390 -12.590 8.912 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.517 -13.087 7.476 1.00 0.00 H new ATOM 0 HG LEU A 98 11.367 -13.613 7.133 1.00 0.00 H new ATOM 0 HD11 LEU A 98 11.585 -15.355 8.883 1.00 0.00 H new ATOM 0 HD12 LEU A 98 11.367 -13.745 9.608 1.00 0.00 H new ATOM 0 HD13 LEU A 98 10.002 -14.886 9.548 1.00 0.00 H new ATOM 0 HD21 LEU A 98 10.504 -15.899 6.698 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.922 -15.428 7.363 1.00 0.00 H new ATOM 0 HD23 LEU A 98 9.518 -14.675 5.864 1.00 0.00 H new ATOM 1666 N ALA A 99 11.707 -9.864 7.449 1.00 0.00 N ATOM 1667 CA ALA A 99 12.961 -9.317 8.044 1.00 0.00 C ATOM 1668 C ALA A 99 12.920 -7.785 8.055 1.00 0.00 C ATOM 1669 O ALA A 99 13.044 -7.160 9.090 1.00 0.00 O ATOM 1670 CB ALA A 99 14.082 -9.819 7.133 1.00 0.00 C ATOM 0 H ALA A 99 11.215 -9.234 6.816 1.00 0.00 H new ATOM 0 HA ALA A 99 13.101 -9.636 9.077 1.00 0.00 H new ATOM 0 HB1 ALA A 99 15.041 -9.458 7.504 1.00 0.00 H new ATOM 0 HB2 ALA A 99 14.083 -10.909 7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 99 13.922 -9.448 6.121 1.00 0.00 H new ATOM 1676 N ASN A 100 12.748 -7.177 6.914 1.00 0.00 N ATOM 1677 CA ASN A 100 12.700 -5.687 6.862 1.00 0.00 C ATOM 1678 C ASN A 100 12.382 -5.219 5.439 1.00 0.00 C ATOM 1679 O ASN A 100 12.834 -5.797 4.471 1.00 0.00 O ATOM 1680 CB ASN A 100 14.101 -5.231 7.275 1.00 0.00 C ATOM 1681 CG ASN A 100 13.997 -4.289 8.477 1.00 0.00 C ATOM 1682 OD1 ASN A 100 13.098 -4.412 9.284 1.00 0.00 O ATOM 1683 ND2 ASN A 100 14.886 -3.346 8.630 1.00 0.00 N ATOM 0 H ASN A 100 12.639 -7.646 6.015 1.00 0.00 H new ATOM 0 HA ASN A 100 11.929 -5.275 7.513 1.00 0.00 H new ATOM 0 HB2 ASN A 100 14.716 -6.094 7.528 1.00 0.00 H new ATOM 0 HB3 ASN A 100 14.590 -4.724 6.443 1.00 0.00 H new ATOM 0 HD21 ASN A 100 14.826 -2.713 9.427 1.00 0.00 H new ATOM 0 HD22 ASN A 100 15.641 -3.242 7.952 1.00 0.00 H new ATOM 1690 N ALA A 101 11.607 -4.178 5.306 1.00 0.00 N ATOM 1691 CA ALA A 101 11.262 -3.675 3.945 1.00 0.00 C ATOM 1692 C ALA A 101 12.539 -3.414 3.142 1.00 0.00 C ATOM 1693 O ALA A 101 12.678 -3.999 2.080 1.00 0.00 O ATOM 1694 CB ALA A 101 10.503 -2.369 4.185 1.00 0.00 C ATOM 1695 OXT ALA A 101 13.356 -2.635 3.605 1.00 0.00 O ATOM 0 H ALA A 101 11.198 -3.654 6.080 1.00 0.00 H new ATOM 0 HA ALA A 101 10.669 -4.391 3.377 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.213 -1.935 3.228 1.00 0.00 H new ATOM 0 HB2 ALA A 101 9.610 -2.571 4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.144 -1.669 4.721 1.00 0.00 H new TER 1701 ALA A 101