USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 426 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 62 THR OG1 : rot 99:sc= 1.03 USER MOD Set 1.2: A 101 SER OG : rot 180:sc= 0.987 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 152:sc= 0 (180deg=-0.472) USER MOD Single : A 53 ASN : amide:sc= -3.06! K(o=-3.1!,f=-0.037) USER MOD Single : A 60 ASN : amide:sc= -0.982 K(o=-0.98,f=-4.8!) USER MOD Single : A 70 THR OG1 : rot 79:sc= 0.862 USER MOD Single : A 71 MET CE :methyl 144:sc= -0.1 (180deg=-0.468) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -2.91 X(o=-2.9,f=-3!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.0286 X(o=-0.029,f=-0.025) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -84:sc= 0.984 USER MOD Single : A 111 ASN : amide:sc= -0.558 K(o=-0.56,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 48 13.721 0.872 -3.389 1.00 0.00 N ATOM 29 CA LEU A 48 12.458 0.704 -2.694 1.00 0.00 C ATOM 30 C LEU A 48 12.279 1.775 -1.641 1.00 0.00 C ATOM 31 O LEU A 48 11.184 2.290 -1.461 1.00 0.00 O ATOM 32 CB LEU A 48 12.373 -0.683 -2.064 1.00 0.00 C ATOM 33 CG LEU A 48 11.889 -1.765 -3.012 1.00 0.00 C ATOM 34 CD1 LEU A 48 12.029 -3.133 -2.374 1.00 0.00 C ATOM 35 CD2 LEU A 48 10.444 -1.495 -3.396 1.00 0.00 C ATOM 0 HA LEU A 48 11.653 0.803 -3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.357 -0.960 -1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.702 -0.640 -1.206 1.00 0.00 H new ATOM 0 HG LEU A 48 12.502 -1.752 -3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.677 -3.896 -3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 48 13.076 -3.317 -2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.435 -3.171 -1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.097 -2.272 -4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.823 -1.494 -2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.373 -0.525 -3.887 1.00 0.00 H new ATOM 47 N GLN A 49 13.364 2.105 -0.956 1.00 0.00 N ATOM 48 CA GLN A 49 13.357 3.185 0.018 1.00 0.00 C ATOM 49 C GLN A 49 12.908 4.480 -0.650 1.00 0.00 C ATOM 50 O GLN A 49 12.172 5.274 -0.066 1.00 0.00 O ATOM 51 CB GLN A 49 14.750 3.353 0.616 1.00 0.00 C ATOM 52 CG GLN A 49 14.839 4.443 1.666 1.00 0.00 C ATOM 53 CD GLN A 49 16.251 4.626 2.172 1.00 0.00 C ATOM 54 OE1 GLN A 49 16.662 3.994 3.148 1.00 0.00 O ATOM 55 NE2 GLN A 49 17.002 5.488 1.511 1.00 0.00 N ATOM 0 H GLN A 49 14.265 1.637 -1.058 1.00 0.00 H new ATOM 0 HA GLN A 49 12.659 2.942 0.819 1.00 0.00 H new ATOM 0 HB2 GLN A 49 15.061 2.407 1.060 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.455 3.575 -0.185 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.480 5.382 1.245 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.183 4.197 2.501 1.00 0.00 H new ATOM 0 HE21 GLN A 49 16.619 5.988 0.709 1.00 0.00 H new ATOM 0 HE22 GLN A 49 17.965 5.654 1.803 1.00 0.00 H new ATOM 64 N ASP A 50 13.338 4.660 -1.891 1.00 0.00 N ATOM 65 CA ASP A 50 12.937 5.813 -2.687 1.00 0.00 C ATOM 66 C ASP A 50 11.422 5.831 -2.878 1.00 0.00 C ATOM 67 O ASP A 50 10.760 6.824 -2.562 1.00 0.00 O ATOM 68 CB ASP A 50 13.644 5.800 -4.045 1.00 0.00 C ATOM 69 CG ASP A 50 15.062 6.336 -3.972 1.00 0.00 C ATOM 70 OD1 ASP A 50 15.242 7.525 -3.641 1.00 0.00 O ATOM 71 OD2 ASP A 50 16.009 5.569 -4.252 1.00 0.00 O ATOM 0 H ASP A 50 13.969 4.018 -2.371 1.00 0.00 H new ATOM 0 HA ASP A 50 13.230 6.717 -2.153 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.665 4.780 -4.430 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.070 6.397 -4.754 1.00 0.00 H new ATOM 76 N MET A 51 10.874 4.721 -3.374 1.00 0.00 N ATOM 77 CA MET A 51 9.430 4.592 -3.565 1.00 0.00 C ATOM 78 C MET A 51 8.701 4.707 -2.225 1.00 0.00 C ATOM 79 O MET A 51 7.640 5.322 -2.136 1.00 0.00 O ATOM 80 CB MET A 51 9.107 3.247 -4.229 1.00 0.00 C ATOM 81 CG MET A 51 7.641 3.072 -4.612 1.00 0.00 C ATOM 82 SD MET A 51 7.123 4.191 -5.930 1.00 0.00 S ATOM 83 CE MET A 51 5.428 3.663 -6.183 1.00 0.00 C ATOM 0 H MET A 51 11.409 3.898 -3.651 1.00 0.00 H new ATOM 0 HA MET A 51 9.090 5.399 -4.214 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.719 3.141 -5.124 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.392 2.443 -3.551 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.474 2.043 -4.929 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.018 3.240 -3.733 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.838 4.500 -6.555 1.00 0.00 H new ATOM 0 HE2 MET A 51 5.404 2.851 -6.910 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.010 3.316 -5.238 1.00 0.00 H new ATOM 93 N ILE A 52 9.297 4.125 -1.184 1.00 0.00 N ATOM 94 CA ILE A 52 8.728 4.163 0.160 1.00 0.00 C ATOM 95 C ILE A 52 8.521 5.608 0.612 1.00 0.00 C ATOM 96 O ILE A 52 7.472 5.964 1.143 1.00 0.00 O ATOM 97 CB ILE A 52 9.642 3.433 1.187 1.00 0.00 C ATOM 98 CG1 ILE A 52 9.506 1.914 1.043 1.00 0.00 C ATOM 99 CG2 ILE A 52 9.328 3.861 2.616 1.00 0.00 C ATOM 100 CD1 ILE A 52 10.405 1.124 1.972 1.00 0.00 C ATOM 0 H ILE A 52 10.180 3.619 -1.249 1.00 0.00 H new ATOM 0 HA ILE A 52 7.768 3.649 0.120 1.00 0.00 H new ATOM 0 HB ILE A 52 10.673 3.716 0.972 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.470 1.633 1.231 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.730 1.635 0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.984 3.332 3.307 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.485 4.935 2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.290 3.623 2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.250 0.058 1.809 1.00 0.00 H new ATOM 0 HD12 ILE A 52 11.447 1.374 1.770 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.167 1.371 3.006 1.00 0.00 H new ATOM 112 N ASN A 53 9.517 6.438 0.337 1.00 0.00 N ATOM 113 CA ASN A 53 9.538 7.809 0.841 1.00 0.00 C ATOM 114 C ASN A 53 8.708 8.735 -0.034 1.00 0.00 C ATOM 115 O ASN A 53 8.253 9.783 0.422 1.00 0.00 O ATOM 116 CB ASN A 53 10.977 8.329 0.948 1.00 0.00 C ATOM 117 CG ASN A 53 11.707 7.796 2.173 1.00 0.00 C ATOM 118 OD1 ASN A 53 12.571 8.470 2.735 1.00 0.00 O ATOM 119 ND2 ASN A 53 11.371 6.586 2.593 1.00 0.00 N ATOM 0 H ASN A 53 10.324 6.188 -0.234 1.00 0.00 H new ATOM 0 HA ASN A 53 9.095 7.798 1.837 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.528 8.047 0.051 1.00 0.00 H new ATOM 0 HB3 ASN A 53 10.963 9.418 0.984 1.00 0.00 H new ATOM 0 HD21 ASN A 53 11.833 6.183 3.408 1.00 0.00 H new ATOM 0 HD22 ASN A 53 10.650 6.057 2.102 1.00 0.00 H new ATOM 126 N GLU A 54 8.494 8.342 -1.283 1.00 0.00 N ATOM 127 CA GLU A 54 7.723 9.155 -2.214 1.00 0.00 C ATOM 128 C GLU A 54 6.230 8.978 -1.955 1.00 0.00 C ATOM 129 O GLU A 54 5.440 9.913 -2.102 1.00 0.00 O ATOM 130 CB GLU A 54 8.056 8.755 -3.654 1.00 0.00 C ATOM 131 CG GLU A 54 7.476 9.685 -4.706 1.00 0.00 C ATOM 132 CD GLU A 54 7.751 9.205 -6.115 1.00 0.00 C ATOM 133 OE1 GLU A 54 8.928 8.939 -6.437 1.00 0.00 O ATOM 134 OE2 GLU A 54 6.795 9.086 -6.909 1.00 0.00 O ATOM 0 H GLU A 54 8.843 7.467 -1.674 1.00 0.00 H new ATOM 0 HA GLU A 54 7.983 10.203 -2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.139 8.724 -3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.687 7.745 -3.834 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.400 9.770 -4.558 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.896 10.683 -4.576 1.00 0.00 H new ATOM 141 N VAL A 55 5.865 7.772 -1.552 1.00 0.00 N ATOM 142 CA VAL A 55 4.466 7.433 -1.337 1.00 0.00 C ATOM 143 C VAL A 55 4.047 7.688 0.113 1.00 0.00 C ATOM 144 O VAL A 55 2.888 8.011 0.382 1.00 0.00 O ATOM 145 CB VAL A 55 4.175 5.966 -1.725 1.00 0.00 C ATOM 146 CG1 VAL A 55 2.685 5.679 -1.665 1.00 0.00 C ATOM 147 CG2 VAL A 55 4.714 5.662 -3.115 1.00 0.00 C ATOM 0 H VAL A 55 6.518 7.010 -1.367 1.00 0.00 H new ATOM 0 HA VAL A 55 3.877 8.082 -1.984 1.00 0.00 H new ATOM 0 HB VAL A 55 4.680 5.320 -1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.503 4.641 -1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.321 5.854 -0.652 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.160 6.337 -2.358 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.499 4.624 -3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.238 6.320 -3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.792 5.824 -3.131 1.00 0.00 H new ATOM 157 N ASP A 56 4.989 7.549 1.045 1.00 0.00 N ATOM 158 CA ASP A 56 4.727 7.872 2.449 1.00 0.00 C ATOM 159 C ASP A 56 4.363 9.339 2.587 1.00 0.00 C ATOM 160 O ASP A 56 5.140 10.229 2.236 1.00 0.00 O ATOM 161 CB ASP A 56 5.927 7.537 3.326 1.00 0.00 C ATOM 162 CG ASP A 56 5.556 7.416 4.791 1.00 0.00 C ATOM 163 OD1 ASP A 56 4.346 7.474 5.132 1.00 0.00 O ATOM 164 OD2 ASP A 56 6.466 7.246 5.615 1.00 0.00 O ATOM 0 H ASP A 56 5.935 7.217 0.856 1.00 0.00 H new ATOM 0 HA ASP A 56 3.888 7.264 2.787 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.371 6.601 2.988 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.686 8.310 3.209 1.00 0.00 H new ATOM 169 N ALA A 57 3.180 9.574 3.111 1.00 0.00 N ATOM 170 CA ALA A 57 2.609 10.911 3.146 1.00 0.00 C ATOM 171 C ALA A 57 2.845 11.555 4.498 1.00 0.00 C ATOM 172 O ALA A 57 3.008 12.770 4.610 1.00 0.00 O ATOM 173 CB ALA A 57 1.121 10.862 2.830 1.00 0.00 C ATOM 0 H ALA A 57 2.587 8.853 3.523 1.00 0.00 H new ATOM 0 HA ALA A 57 3.103 11.517 2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.709 11.871 2.860 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.974 10.440 1.836 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.613 10.240 3.567 1.00 0.00 H new ATOM 179 N ASP A 58 2.874 10.717 5.520 1.00 0.00 N ATOM 180 CA ASP A 58 2.978 11.179 6.893 1.00 0.00 C ATOM 181 C ASP A 58 4.357 10.886 7.475 1.00 0.00 C ATOM 182 O ASP A 58 4.727 11.439 8.511 1.00 0.00 O ATOM 183 CB ASP A 58 1.909 10.506 7.754 1.00 0.00 C ATOM 184 CG ASP A 58 2.194 9.036 7.977 1.00 0.00 C ATOM 185 OD1 ASP A 58 2.604 8.343 7.008 1.00 0.00 O ATOM 186 OD2 ASP A 58 2.018 8.564 9.109 1.00 0.00 O ATOM 0 H ASP A 58 2.826 9.703 5.422 1.00 0.00 H new ATOM 0 HA ASP A 58 2.827 12.258 6.894 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.849 11.013 8.717 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.936 10.617 7.275 1.00 0.00 H new ATOM 191 N GLY A 59 5.122 10.024 6.809 1.00 0.00 N ATOM 192 CA GLY A 59 6.460 9.716 7.284 1.00 0.00 C ATOM 193 C GLY A 59 6.504 8.643 8.364 1.00 0.00 C ATOM 194 O GLY A 59 7.485 8.549 9.103 1.00 0.00 O ATOM 0 H GLY A 59 4.843 9.538 5.957 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.068 9.392 6.440 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.915 10.627 7.673 1.00 0.00 H new ATOM 198 N ASN A 60 5.453 7.829 8.460 1.00 0.00 N ATOM 199 CA ASN A 60 5.428 6.716 9.416 1.00 0.00 C ATOM 200 C ASN A 60 6.211 5.512 8.889 1.00 0.00 C ATOM 201 O ASN A 60 6.321 4.489 9.562 1.00 0.00 O ATOM 202 CB ASN A 60 3.979 6.309 9.752 1.00 0.00 C ATOM 203 CG ASN A 60 3.199 5.775 8.559 1.00 0.00 C ATOM 204 OD1 ASN A 60 3.575 5.989 7.405 1.00 0.00 O ATOM 205 ND2 ASN A 60 2.078 5.115 8.820 1.00 0.00 N ATOM 0 H ASN A 60 4.610 7.916 7.892 1.00 0.00 H new ATOM 0 HA ASN A 60 5.911 7.060 10.331 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.997 5.548 10.533 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.454 7.173 10.160 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.500 4.769 8.054 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.794 4.954 9.786 1.00 0.00 H new ATOM 212 N GLY A 61 6.745 5.637 7.678 1.00 0.00 N ATOM 213 CA GLY A 61 7.577 4.590 7.115 1.00 0.00 C ATOM 214 C GLY A 61 6.789 3.625 6.254 1.00 0.00 C ATOM 215 O GLY A 61 7.326 2.624 5.778 1.00 0.00 O ATOM 0 H GLY A 61 6.615 6.449 7.074 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.369 5.041 6.518 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.060 4.040 7.923 1.00 0.00 H new ATOM 219 N THR A 62 5.511 3.922 6.064 1.00 0.00 N ATOM 220 CA THR A 62 4.633 3.048 5.304 1.00 0.00 C ATOM 221 C THR A 62 3.407 3.817 4.817 1.00 0.00 C ATOM 222 O THR A 62 3.260 5.020 5.077 1.00 0.00 O ATOM 223 CB THR A 62 4.188 1.835 6.163 1.00 0.00 C ATOM 224 OG1 THR A 62 3.484 0.875 5.360 1.00 0.00 O ATOM 225 CG2 THR A 62 3.305 2.279 7.322 1.00 0.00 C ATOM 0 H THR A 62 5.060 4.762 6.426 1.00 0.00 H new ATOM 0 HA THR A 62 5.187 2.680 4.440 1.00 0.00 H new ATOM 0 HB THR A 62 5.087 1.370 6.567 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.094 0.152 5.105 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.008 1.409 7.907 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.858 2.971 7.957 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.416 2.775 6.933 1.00 0.00 H new ATOM 233 N ILE A 63 2.549 3.133 4.091 1.00 0.00 N ATOM 234 CA ILE A 63 1.262 3.673 3.733 1.00 0.00 C ATOM 235 C ILE A 63 0.231 3.205 4.751 1.00 0.00 C ATOM 236 O ILE A 63 0.275 2.065 5.213 1.00 0.00 O ATOM 237 CB ILE A 63 0.852 3.253 2.296 1.00 0.00 C ATOM 238 CG1 ILE A 63 0.692 4.489 1.410 1.00 0.00 C ATOM 239 CG2 ILE A 63 -0.422 2.414 2.285 1.00 0.00 C ATOM 240 CD1 ILE A 63 0.251 4.167 0.000 1.00 0.00 C ATOM 0 H ILE A 63 2.725 2.193 3.736 1.00 0.00 H new ATOM 0 HA ILE A 63 1.317 4.762 3.743 1.00 0.00 H new ATOM 0 HB ILE A 63 1.650 2.628 1.895 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.036 5.161 1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.641 5.025 1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.670 2.143 1.259 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.266 1.509 2.872 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.241 2.990 2.717 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.158 5.090 -0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.989 3.520 -0.473 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.713 3.658 0.027 1.00 0.00 H new ATOM 252 N ASP A 64 -0.684 4.089 5.101 1.00 0.00 N ATOM 253 CA ASP A 64 -1.757 3.758 6.017 1.00 0.00 C ATOM 254 C ASP A 64 -3.032 3.790 5.196 1.00 0.00 C ATOM 255 O ASP A 64 -2.975 4.164 4.020 1.00 0.00 O ATOM 256 CB ASP A 64 -1.821 4.769 7.170 1.00 0.00 C ATOM 257 CG ASP A 64 -2.509 4.225 8.411 1.00 0.00 C ATOM 258 OD1 ASP A 64 -3.719 3.917 8.353 1.00 0.00 O ATOM 259 OD2 ASP A 64 -1.849 4.129 9.461 1.00 0.00 O ATOM 0 H ASP A 64 -0.704 5.050 4.761 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.604 2.779 6.472 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.808 5.077 7.430 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.349 5.661 6.833 1.00 0.00 H new ATOM 264 N PHE A 65 -4.163 3.422 5.768 1.00 0.00 N ATOM 265 CA PHE A 65 -5.421 3.474 5.031 1.00 0.00 C ATOM 266 C PHE A 65 -5.670 4.874 4.453 1.00 0.00 C ATOM 267 O PHE A 65 -5.926 5.004 3.256 1.00 0.00 O ATOM 268 CB PHE A 65 -6.593 3.010 5.901 1.00 0.00 C ATOM 269 CG PHE A 65 -6.608 1.524 6.131 1.00 0.00 C ATOM 270 CD1 PHE A 65 -5.708 0.942 7.008 1.00 0.00 C ATOM 271 CD2 PHE A 65 -7.523 0.713 5.478 1.00 0.00 C ATOM 272 CE1 PHE A 65 -5.719 -0.423 7.230 1.00 0.00 C ATOM 273 CE2 PHE A 65 -7.541 -0.651 5.696 1.00 0.00 C ATOM 274 CZ PHE A 65 -6.632 -1.225 6.540 1.00 0.00 C ATOM 0 H PHE A 65 -4.242 3.087 6.728 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.343 2.783 4.192 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.547 3.520 6.863 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.529 3.307 5.427 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.989 1.561 7.524 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.230 1.153 4.791 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.027 -0.866 7.931 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.276 -1.266 5.198 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.619 -2.297 6.673 1.00 0.00 H new ATOM 284 N PRO A 66 -5.576 5.950 5.270 1.00 0.00 N ATOM 285 CA PRO A 66 -5.685 7.320 4.764 1.00 0.00 C ATOM 286 C PRO A 66 -4.691 7.612 3.639 1.00 0.00 C ATOM 287 O PRO A 66 -5.066 8.166 2.606 1.00 0.00 O ATOM 288 CB PRO A 66 -5.367 8.187 5.985 1.00 0.00 C ATOM 289 CG PRO A 66 -5.696 7.336 7.156 1.00 0.00 C ATOM 290 CD PRO A 66 -5.394 5.926 6.737 1.00 0.00 C ATOM 0 HA PRO A 66 -6.669 7.508 4.334 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.318 8.485 5.995 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.958 9.103 5.984 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.103 7.621 8.025 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.744 7.445 7.436 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.379 5.636 7.010 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.068 5.214 7.213 1.00 0.00 H new ATOM 298 N GLU A 67 -3.428 7.219 3.834 1.00 0.00 N ATOM 299 CA GLU A 67 -2.378 7.513 2.860 1.00 0.00 C ATOM 300 C GLU A 67 -2.668 6.877 1.502 1.00 0.00 C ATOM 301 O GLU A 67 -2.660 7.562 0.480 1.00 0.00 O ATOM 302 CB GLU A 67 -1.021 7.021 3.360 1.00 0.00 C ATOM 303 CG GLU A 67 -0.585 7.635 4.677 1.00 0.00 C ATOM 304 CD GLU A 67 0.823 7.234 5.055 1.00 0.00 C ATOM 305 OE1 GLU A 67 1.787 7.792 4.511 1.00 0.00 O ATOM 306 OE2 GLU A 67 1.010 6.358 5.908 1.00 0.00 O ATOM 0 H GLU A 67 -3.112 6.700 4.653 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.355 8.596 2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.058 5.937 3.472 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.267 7.238 2.603 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.645 8.721 4.607 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.273 7.327 5.465 1.00 0.00 H new ATOM 313 N PHE A 68 -2.914 5.568 1.506 1.00 0.00 N ATOM 314 CA PHE A 68 -3.130 4.818 0.269 1.00 0.00 C ATOM 315 C PHE A 68 -4.272 5.419 -0.542 1.00 0.00 C ATOM 316 O PHE A 68 -4.144 5.617 -1.748 1.00 0.00 O ATOM 317 CB PHE A 68 -3.423 3.345 0.572 1.00 0.00 C ATOM 318 CG PHE A 68 -3.381 2.451 -0.643 1.00 0.00 C ATOM 319 CD1 PHE A 68 -2.192 1.854 -1.039 1.00 0.00 C ATOM 320 CD2 PHE A 68 -4.527 2.207 -1.386 1.00 0.00 C ATOM 321 CE1 PHE A 68 -2.146 1.031 -2.149 1.00 0.00 C ATOM 322 CE2 PHE A 68 -4.486 1.385 -2.498 1.00 0.00 C ATOM 323 CZ PHE A 68 -3.295 0.797 -2.880 1.00 0.00 C ATOM 0 H PHE A 68 -2.969 5.003 2.354 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.216 4.881 -0.321 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.699 2.983 1.302 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.407 3.268 1.034 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.291 2.035 -0.472 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.461 2.664 -1.093 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.214 0.572 -2.444 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.385 1.203 -3.068 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.262 0.156 -3.748 1.00 0.00 H new ATOM 333 N LEU A 69 -5.375 5.721 0.128 1.00 0.00 N ATOM 334 CA LEU A 69 -6.539 6.272 -0.536 1.00 0.00 C ATOM 335 C LEU A 69 -6.265 7.648 -1.117 1.00 0.00 C ATOM 336 O LEU A 69 -6.670 7.945 -2.243 1.00 0.00 O ATOM 337 CB LEU A 69 -7.707 6.340 0.437 1.00 0.00 C ATOM 338 CG LEU A 69 -8.552 5.077 0.502 1.00 0.00 C ATOM 339 CD1 LEU A 69 -9.049 4.731 -0.889 1.00 0.00 C ATOM 340 CD2 LEU A 69 -7.769 3.914 1.086 1.00 0.00 C ATOM 0 H LEU A 69 -5.485 5.592 1.134 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.790 5.610 -1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.321 6.554 1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.348 7.176 0.157 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.401 5.264 1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.655 3.826 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.652 5.553 -1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.197 4.565 -1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.403 3.028 1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.897 3.714 0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.445 4.164 2.096 1.00 0.00 H new ATOM 352 N THR A 70 -5.573 8.483 -0.361 1.00 0.00 N ATOM 353 CA THR A 70 -5.314 9.838 -0.800 1.00 0.00 C ATOM 354 C THR A 70 -4.287 9.857 -1.937 1.00 0.00 C ATOM 355 O THR A 70 -4.463 10.559 -2.924 1.00 0.00 O ATOM 356 CB THR A 70 -4.833 10.722 0.368 1.00 0.00 C ATOM 357 OG1 THR A 70 -5.782 10.664 1.442 1.00 0.00 O ATOM 358 CG2 THR A 70 -4.656 12.170 -0.069 1.00 0.00 C ATOM 0 H THR A 70 -5.184 8.247 0.552 1.00 0.00 H new ATOM 0 HA THR A 70 -6.253 10.247 -1.173 1.00 0.00 H new ATOM 0 HB THR A 70 -3.867 10.342 0.701 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.655 9.833 1.946 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.316 12.767 0.778 1.00 0.00 H new ATOM 0 HG22 THR A 70 -3.917 12.221 -0.869 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.608 12.560 -0.429 1.00 0.00 H new ATOM 366 N MET A 71 -3.218 9.085 -1.786 1.00 0.00 N ATOM 367 CA MET A 71 -2.210 8.933 -2.838 1.00 0.00 C ATOM 368 C MET A 71 -2.797 8.266 -4.079 1.00 0.00 C ATOM 369 O MET A 71 -2.332 8.501 -5.192 1.00 0.00 O ATOM 370 CB MET A 71 -1.012 8.125 -2.335 1.00 0.00 C ATOM 371 CG MET A 71 -0.082 8.912 -1.424 1.00 0.00 C ATOM 372 SD MET A 71 0.666 10.327 -2.261 1.00 0.00 S ATOM 373 CE MET A 71 1.683 10.998 -0.946 1.00 0.00 C ATOM 0 H MET A 71 -3.022 8.549 -0.940 1.00 0.00 H new ATOM 0 HA MET A 71 -1.873 9.934 -3.110 1.00 0.00 H new ATOM 0 HB2 MET A 71 -1.376 7.249 -1.798 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.445 7.761 -3.192 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.639 9.260 -0.554 1.00 0.00 H new ATOM 0 HG3 MET A 71 0.705 8.253 -1.056 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.610 11.389 -1.366 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.145 11.802 -0.444 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.914 10.212 -0.227 1.00 0.00 H new ATOM 383 N MET A 72 -3.792 7.413 -3.887 1.00 0.00 N ATOM 384 CA MET A 72 -4.522 6.853 -5.015 1.00 0.00 C ATOM 385 C MET A 72 -5.277 7.969 -5.721 1.00 0.00 C ATOM 386 O MET A 72 -4.960 8.324 -6.861 1.00 0.00 O ATOM 387 CB MET A 72 -5.505 5.768 -4.564 1.00 0.00 C ATOM 388 CG MET A 72 -6.180 5.053 -5.723 1.00 0.00 C ATOM 389 SD MET A 72 -7.500 3.949 -5.193 1.00 0.00 S ATOM 390 CE MET A 72 -7.909 3.164 -6.752 1.00 0.00 C ATOM 0 H MET A 72 -4.110 7.096 -2.971 1.00 0.00 H new ATOM 0 HA MET A 72 -3.806 6.392 -5.696 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.975 5.037 -3.954 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.268 6.219 -3.930 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.587 5.793 -6.412 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.434 4.481 -6.274 1.00 0.00 H new ATOM 0 HE1 MET A 72 -8.715 2.446 -6.598 1.00 0.00 H new ATOM 0 HE2 MET A 72 -8.229 3.921 -7.468 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.032 2.646 -7.140 1.00 0.00 H new ATOM 400 N ALA A 73 -6.265 8.526 -5.018 1.00 0.00 N ATOM 401 CA ALA A 73 -7.052 9.659 -5.498 1.00 0.00 C ATOM 402 C ALA A 73 -6.192 10.831 -5.940 1.00 0.00 C ATOM 403 O ALA A 73 -6.686 11.737 -6.611 1.00 0.00 O ATOM 404 CB ALA A 73 -8.014 10.115 -4.413 1.00 0.00 C ATOM 0 H ALA A 73 -6.542 8.199 -4.092 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.602 9.314 -6.374 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.598 10.960 -4.777 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.684 9.296 -4.153 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.450 10.417 -3.530 1.00 0.00 H new ATOM 410 N ARG A 74 -4.924 10.826 -5.538 1.00 0.00 N ATOM 411 CA ARG A 74 -3.987 11.851 -5.952 1.00 0.00 C ATOM 412 C ARG A 74 -4.084 12.059 -7.459 1.00 0.00 C ATOM 413 O ARG A 74 -4.211 13.187 -7.940 1.00 0.00 O ATOM 414 CB ARG A 74 -2.556 11.468 -5.568 1.00 0.00 C ATOM 415 CG ARG A 74 -1.532 12.578 -5.772 1.00 0.00 C ATOM 416 CD ARG A 74 -1.863 13.803 -4.930 1.00 0.00 C ATOM 417 NE ARG A 74 -0.757 14.757 -4.868 1.00 0.00 N ATOM 418 CZ ARG A 74 -0.574 15.612 -3.860 1.00 0.00 C ATOM 419 NH1 ARG A 74 -1.468 15.677 -2.873 1.00 0.00 N ATOM 420 NH2 ARG A 74 0.488 16.411 -3.850 1.00 0.00 N ATOM 0 H ARG A 74 -4.526 10.117 -4.923 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.241 12.780 -5.441 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.542 11.165 -4.521 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.255 10.600 -6.155 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.539 12.212 -5.509 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.501 12.857 -6.825 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.742 14.297 -5.344 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.122 13.486 -3.920 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.088 14.770 -5.638 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.290 15.074 -2.889 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.330 16.330 -2.102 1.00 0.00 H new ATOM 0 HH21 ARG A 74 1.164 16.371 -4.613 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.627 17.064 -3.079 1.00 0.00 H new ATOM 544 N GLU A 82 -13.904 -0.122 1.227 1.00 0.00 N ATOM 545 CA GLU A 82 -12.808 -0.141 2.181 1.00 0.00 C ATOM 546 C GLU A 82 -12.457 -1.579 2.543 1.00 0.00 C ATOM 547 O GLU A 82 -11.299 -1.892 2.816 1.00 0.00 O ATOM 548 CB GLU A 82 -13.163 0.638 3.446 1.00 0.00 C ATOM 549 CG GLU A 82 -11.999 0.775 4.413 1.00 0.00 C ATOM 550 CD GLU A 82 -12.431 1.216 5.792 1.00 0.00 C ATOM 551 OE1 GLU A 82 -12.597 2.434 6.009 1.00 0.00 O ATOM 552 OE2 GLU A 82 -12.611 0.343 6.666 1.00 0.00 O ATOM 0 HA GLU A 82 -11.947 0.338 1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.513 1.632 3.166 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -13.990 0.139 3.952 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.481 -0.181 4.488 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.284 1.495 4.014 1.00 0.00 H new ATOM 559 N GLU A 83 -13.459 -2.455 2.556 1.00 0.00 N ATOM 560 CA GLU A 83 -13.238 -3.875 2.803 1.00 0.00 C ATOM 561 C GLU A 83 -12.262 -4.468 1.792 1.00 0.00 C ATOM 562 O GLU A 83 -11.361 -5.216 2.160 1.00 0.00 O ATOM 563 CB GLU A 83 -14.574 -4.617 2.763 1.00 0.00 C ATOM 564 CG GLU A 83 -15.565 -4.110 3.800 1.00 0.00 C ATOM 565 CD GLU A 83 -16.945 -4.713 3.650 1.00 0.00 C ATOM 566 OE1 GLU A 83 -17.590 -4.482 2.608 1.00 0.00 O ATOM 567 OE2 GLU A 83 -17.378 -5.450 4.561 1.00 0.00 O ATOM 0 H GLU A 83 -14.435 -2.204 2.398 1.00 0.00 H new ATOM 0 HA GLU A 83 -12.794 -3.990 3.792 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.011 -4.514 1.770 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.398 -5.680 2.926 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -15.184 -4.333 4.797 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -15.639 -3.025 3.723 1.00 0.00 H new ATOM 574 N GLU A 84 -12.425 -4.123 0.522 1.00 0.00 N ATOM 575 CA GLU A 84 -11.488 -4.572 -0.501 1.00 0.00 C ATOM 576 C GLU A 84 -10.119 -3.957 -0.257 1.00 0.00 C ATOM 577 O GLU A 84 -9.089 -4.586 -0.494 1.00 0.00 O ATOM 578 CB GLU A 84 -11.972 -4.189 -1.901 1.00 0.00 C ATOM 579 CG GLU A 84 -13.352 -4.713 -2.254 1.00 0.00 C ATOM 580 CD GLU A 84 -13.407 -6.218 -2.366 1.00 0.00 C ATOM 581 OE1 GLU A 84 -12.617 -6.785 -3.145 1.00 0.00 O ATOM 582 OE2 GLU A 84 -14.222 -6.844 -1.656 1.00 0.00 O ATOM 0 H GLU A 84 -13.188 -3.540 0.177 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.422 -5.658 -0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.977 -3.102 -1.985 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.257 -4.562 -2.634 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.063 -4.386 -1.495 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.670 -4.273 -3.199 1.00 0.00 H new ATOM 589 N ILE A 85 -10.117 -2.726 0.223 1.00 0.00 N ATOM 590 CA ILE A 85 -8.884 -2.013 0.487 1.00 0.00 C ATOM 591 C ILE A 85 -8.126 -2.630 1.659 1.00 0.00 C ATOM 592 O ILE A 85 -6.909 -2.765 1.607 1.00 0.00 O ATOM 593 CB ILE A 85 -9.153 -0.511 0.734 1.00 0.00 C ATOM 594 CG1 ILE A 85 -9.815 0.095 -0.498 1.00 0.00 C ATOM 595 CG2 ILE A 85 -7.870 0.241 1.059 1.00 0.00 C ATOM 596 CD1 ILE A 85 -9.026 -0.147 -1.767 1.00 0.00 C ATOM 0 H ILE A 85 -10.963 -2.198 0.438 1.00 0.00 H new ATOM 0 HA ILE A 85 -8.256 -2.102 -0.399 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.817 -0.420 1.594 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -10.814 -0.325 -0.611 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.935 1.168 -0.349 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.098 1.294 1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.419 -0.180 1.958 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.173 0.149 0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -9.546 0.307 -2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.035 0.297 -1.670 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -8.928 -1.219 -1.936 1.00 0.00 H new ATOM 608 N ARG A 86 -8.840 -3.032 2.703 1.00 0.00 N ATOM 609 CA ARG A 86 -8.194 -3.673 3.841 1.00 0.00 C ATOM 610 C ARG A 86 -7.631 -5.028 3.424 1.00 0.00 C ATOM 611 O ARG A 86 -6.555 -5.432 3.879 1.00 0.00 O ATOM 612 CB ARG A 86 -9.154 -3.825 5.029 1.00 0.00 C ATOM 613 CG ARG A 86 -10.278 -4.823 4.815 1.00 0.00 C ATOM 614 CD ARG A 86 -11.201 -4.896 6.016 1.00 0.00 C ATOM 615 NE ARG A 86 -11.856 -3.618 6.289 1.00 0.00 N ATOM 616 CZ ARG A 86 -12.586 -3.380 7.377 1.00 0.00 C ATOM 617 NH1 ARG A 86 -12.710 -4.314 8.310 1.00 0.00 N ATOM 618 NH2 ARG A 86 -13.175 -2.204 7.543 1.00 0.00 N ATOM 0 H ARG A 86 -9.851 -2.928 2.786 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.375 -3.032 4.169 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.580 -4.127 5.905 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.589 -2.851 5.253 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.852 -4.541 3.932 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.857 -5.809 4.620 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.958 -5.661 5.844 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.630 -5.204 6.892 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.748 -2.866 5.608 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.246 -5.215 8.194 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.269 -4.131 9.143 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.070 -1.477 6.836 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.733 -2.027 8.378 1.00 0.00 H new ATOM 632 N GLU A 87 -8.342 -5.715 2.529 1.00 0.00 N ATOM 633 CA GLU A 87 -7.843 -6.965 1.980 1.00 0.00 C ATOM 634 C GLU A 87 -6.627 -6.687 1.111 1.00 0.00 C ATOM 635 O GLU A 87 -5.690 -7.478 1.067 1.00 0.00 O ATOM 636 CB GLU A 87 -8.916 -7.690 1.167 1.00 0.00 C ATOM 637 CG GLU A 87 -10.122 -8.106 1.988 1.00 0.00 C ATOM 638 CD GLU A 87 -11.030 -9.059 1.243 1.00 0.00 C ATOM 639 OE1 GLU A 87 -11.599 -8.648 0.211 1.00 0.00 O ATOM 640 OE2 GLU A 87 -11.173 -10.220 1.675 1.00 0.00 O ATOM 0 H GLU A 87 -9.254 -5.427 2.175 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.563 -7.615 2.809 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.246 -7.041 0.356 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.476 -8.576 0.708 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.784 -8.578 2.911 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.687 -7.219 2.273 1.00 0.00 H new ATOM 647 N ALA A 88 -6.636 -5.536 0.449 1.00 0.00 N ATOM 648 CA ALA A 88 -5.519 -5.126 -0.382 1.00 0.00 C ATOM 649 C ALA A 88 -4.296 -4.849 0.481 1.00 0.00 C ATOM 650 O ALA A 88 -3.188 -5.230 0.131 1.00 0.00 O ATOM 651 CB ALA A 88 -5.884 -3.901 -1.208 1.00 0.00 C ATOM 0 H ALA A 88 -7.409 -4.871 0.474 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.282 -5.938 -1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.033 -3.610 -1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.733 -4.135 -1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.148 -3.079 -0.543 1.00 0.00 H new ATOM 657 N PHE A 89 -4.506 -4.193 1.616 1.00 0.00 N ATOM 658 CA PHE A 89 -3.431 -3.959 2.579 1.00 0.00 C ATOM 659 C PHE A 89 -2.799 -5.270 3.031 1.00 0.00 C ATOM 660 O PHE A 89 -1.590 -5.343 3.240 1.00 0.00 O ATOM 661 CB PHE A 89 -3.948 -3.180 3.794 1.00 0.00 C ATOM 662 CG PHE A 89 -3.924 -1.690 3.605 1.00 0.00 C ATOM 663 CD1 PHE A 89 -4.884 -1.054 2.838 1.00 0.00 C ATOM 664 CD2 PHE A 89 -2.932 -0.924 4.195 1.00 0.00 C ATOM 665 CE1 PHE A 89 -4.853 0.316 2.660 1.00 0.00 C ATOM 666 CE2 PHE A 89 -2.897 0.444 4.022 1.00 0.00 C ATOM 667 CZ PHE A 89 -3.859 1.064 3.253 1.00 0.00 C ATOM 0 H PHE A 89 -5.411 -3.813 1.894 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.667 -3.364 2.079 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.969 -3.495 4.010 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.345 -3.438 4.664 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.667 -1.635 2.373 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.176 -1.404 4.798 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.607 0.800 2.057 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.117 1.028 4.488 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.834 2.135 3.116 1.00 0.00 H new ATOM 677 N ARG A 90 -3.617 -6.301 3.182 1.00 0.00 N ATOM 678 CA ARG A 90 -3.119 -7.606 3.594 1.00 0.00 C ATOM 679 C ARG A 90 -2.418 -8.328 2.436 1.00 0.00 C ATOM 680 O ARG A 90 -1.448 -9.052 2.651 1.00 0.00 O ATOM 681 CB ARG A 90 -4.278 -8.446 4.156 1.00 0.00 C ATOM 682 CG ARG A 90 -3.873 -9.822 4.676 1.00 0.00 C ATOM 683 CD ARG A 90 -3.909 -10.879 3.582 1.00 0.00 C ATOM 684 NE ARG A 90 -3.401 -12.169 4.042 1.00 0.00 N ATOM 685 CZ ARG A 90 -3.807 -13.342 3.558 1.00 0.00 C ATOM 686 NH1 ARG A 90 -4.805 -13.391 2.683 1.00 0.00 N ATOM 687 NH2 ARG A 90 -3.233 -14.466 3.972 1.00 0.00 N ATOM 0 H ARG A 90 -4.624 -6.261 3.026 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.374 -7.465 4.378 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.752 -7.891 4.966 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.028 -8.574 3.376 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.869 -9.769 5.096 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.542 -10.115 5.485 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.933 -10.999 3.229 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.317 -10.540 2.732 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.694 -12.172 4.777 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.261 -12.530 2.381 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.115 -14.289 2.313 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.481 -14.431 4.661 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.544 -15.364 3.601 1.00 0.00 H new ATOM 701 N VAL A 91 -2.906 -8.130 1.216 1.00 0.00 N ATOM 702 CA VAL A 91 -2.363 -8.835 0.052 1.00 0.00 C ATOM 703 C VAL A 91 -1.163 -8.111 -0.555 1.00 0.00 C ATOM 704 O VAL A 91 -0.212 -8.750 -0.988 1.00 0.00 O ATOM 705 CB VAL A 91 -3.446 -9.052 -1.034 1.00 0.00 C ATOM 706 CG1 VAL A 91 -2.856 -9.683 -2.288 1.00 0.00 C ATOM 707 CG2 VAL A 91 -4.574 -9.918 -0.493 1.00 0.00 C ATOM 0 H VAL A 91 -3.673 -7.491 1.004 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.025 -9.806 0.414 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.846 -8.075 -1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.642 -9.822 -3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.084 -9.030 -2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.419 -10.650 -2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.327 -10.061 -1.268 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.176 -10.887 -0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.028 -9.428 0.368 1.00 0.00 H new ATOM 717 N PHE A 92 -1.214 -6.786 -0.597 1.00 0.00 N ATOM 718 CA PHE A 92 -0.112 -6.007 -1.148 1.00 0.00 C ATOM 719 C PHE A 92 1.089 -6.017 -0.214 1.00 0.00 C ATOM 720 O PHE A 92 2.222 -5.888 -0.656 1.00 0.00 O ATOM 721 CB PHE A 92 -0.538 -4.569 -1.457 1.00 0.00 C ATOM 722 CG PHE A 92 -1.315 -4.443 -2.737 1.00 0.00 C ATOM 723 CD1 PHE A 92 -0.699 -4.677 -3.956 1.00 0.00 C ATOM 724 CD2 PHE A 92 -2.654 -4.090 -2.725 1.00 0.00 C ATOM 725 CE1 PHE A 92 -1.405 -4.562 -5.139 1.00 0.00 C ATOM 726 CE2 PHE A 92 -3.365 -3.974 -3.905 1.00 0.00 C ATOM 727 CZ PHE A 92 -2.740 -4.211 -5.115 1.00 0.00 C ATOM 0 H PHE A 92 -2.000 -6.231 -0.259 1.00 0.00 H new ATOM 0 HA PHE A 92 0.179 -6.480 -2.086 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.144 -4.192 -0.633 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.349 -3.939 -1.515 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.345 -4.952 -3.982 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.148 -3.903 -1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.912 -4.747 -6.082 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.409 -3.698 -3.881 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.294 -4.122 -6.038 1.00 0.00 H new ATOM 737 N ASP A 93 0.846 -6.120 1.080 1.00 0.00 N ATOM 738 CA ASP A 93 1.932 -6.336 2.023 1.00 0.00 C ATOM 739 C ASP A 93 2.481 -7.763 1.905 1.00 0.00 C ATOM 740 O ASP A 93 1.742 -8.698 1.603 1.00 0.00 O ATOM 741 CB ASP A 93 1.450 -6.065 3.448 1.00 0.00 C ATOM 742 CG ASP A 93 2.579 -6.085 4.449 1.00 0.00 C ATOM 743 OD1 ASP A 93 2.916 -7.145 4.964 1.00 0.00 O ATOM 744 OD2 ASP A 93 3.183 -5.044 4.738 1.00 0.00 O ATOM 0 H ASP A 93 -0.082 -6.059 1.500 1.00 0.00 H new ATOM 0 HA ASP A 93 2.739 -5.643 1.786 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.954 -5.095 3.483 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.708 -6.813 3.726 1.00 0.00 H new ATOM 749 N LYS A 94 3.783 -7.917 2.167 1.00 0.00 N ATOM 750 CA LYS A 94 4.445 -9.221 2.076 1.00 0.00 C ATOM 751 C LYS A 94 3.915 -10.155 3.154 1.00 0.00 C ATOM 752 O LYS A 94 3.619 -11.325 2.906 1.00 0.00 O ATOM 753 CB LYS A 94 5.953 -9.098 2.293 1.00 0.00 C ATOM 754 CG LYS A 94 6.712 -8.263 1.276 1.00 0.00 C ATOM 755 CD LYS A 94 8.173 -8.189 1.686 1.00 0.00 C ATOM 756 CE LYS A 94 9.022 -7.325 0.772 1.00 0.00 C ATOM 757 NZ LYS A 94 10.412 -7.204 1.293 1.00 0.00 N ATOM 0 H LYS A 94 4.399 -7.153 2.444 1.00 0.00 H new ATOM 0 HA LYS A 94 4.241 -9.611 1.079 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.123 -8.671 3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.381 -10.101 2.301 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.622 -8.705 0.284 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.286 -7.261 1.219 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.236 -7.799 2.702 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.587 -9.197 1.705 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.041 -7.757 -0.229 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.575 -6.335 0.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.973 -6.609 0.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.392 -6.770 2.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.843 -8.148 1.354 1.00 0.00 H new ATOM 771 N ASP A 95 3.810 -9.609 4.354 1.00 0.00 N ATOM 772 CA ASP A 95 3.465 -10.372 5.542 1.00 0.00 C ATOM 773 C ASP A 95 2.071 -9.995 6.031 1.00 0.00 C ATOM 774 O ASP A 95 1.681 -10.322 7.153 1.00 0.00 O ATOM 775 CB ASP A 95 4.512 -10.120 6.640 1.00 0.00 C ATOM 776 CG ASP A 95 4.587 -8.665 7.083 1.00 0.00 C ATOM 777 OD1 ASP A 95 4.990 -7.816 6.269 1.00 0.00 O ATOM 778 OD2 ASP A 95 4.230 -8.353 8.255 1.00 0.00 O ATOM 0 H ASP A 95 3.963 -8.616 4.533 1.00 0.00 H new ATOM 0 HA ASP A 95 3.461 -11.434 5.296 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.279 -10.743 7.503 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.491 -10.432 6.276 1.00 0.00 H new ATOM 783 N GLY A 96 1.324 -9.324 5.156 1.00 0.00 N ATOM 784 CA GLY A 96 -0.026 -8.876 5.457 1.00 0.00 C ATOM 785 C GLY A 96 -0.186 -8.177 6.795 1.00 0.00 C ATOM 786 O GLY A 96 -1.193 -8.391 7.470 1.00 0.00 O ATOM 0 H GLY A 96 1.642 -9.078 4.219 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.352 -8.198 4.668 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.693 -9.738 5.432 1.00 0.00 H new ATOM 790 N ASN A 97 0.769 -7.334 7.198 1.00 0.00 N ATOM 791 CA ASN A 97 0.657 -6.623 8.477 1.00 0.00 C ATOM 792 C ASN A 97 -0.302 -5.430 8.405 1.00 0.00 C ATOM 793 O ASN A 97 -0.222 -4.513 9.224 1.00 0.00 O ATOM 794 CB ASN A 97 2.035 -6.156 8.987 1.00 0.00 C ATOM 795 CG ASN A 97 2.761 -5.214 8.033 1.00 0.00 C ATOM 796 OD1 ASN A 97 3.585 -5.645 7.219 1.00 0.00 O ATOM 797 ND2 ASN A 97 2.470 -3.926 8.126 1.00 0.00 N ATOM 0 H ASN A 97 1.616 -7.128 6.668 1.00 0.00 H new ATOM 0 HA ASN A 97 0.243 -7.341 9.184 1.00 0.00 H new ATOM 0 HB2 ASN A 97 1.906 -5.656 9.947 1.00 0.00 H new ATOM 0 HB3 ASN A 97 2.661 -7.030 9.165 1.00 0.00 H new ATOM 0 HD21 ASN A 97 2.931 -3.253 7.514 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.784 -3.606 8.810 1.00 0.00 H new ATOM 804 N GLY A 98 -1.199 -5.434 7.428 1.00 0.00 N ATOM 805 CA GLY A 98 -2.240 -4.420 7.376 1.00 0.00 C ATOM 806 C GLY A 98 -1.746 -3.067 6.902 1.00 0.00 C ATOM 807 O GLY A 98 -2.371 -2.046 7.185 1.00 0.00 O ATOM 0 H GLY A 98 -1.227 -6.118 6.672 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.034 -4.760 6.712 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.679 -4.310 8.368 1.00 0.00 H new ATOM 811 N TYR A 99 -0.634 -3.060 6.179 1.00 0.00 N ATOM 812 CA TYR A 99 -0.046 -1.825 5.671 1.00 0.00 C ATOM 813 C TYR A 99 0.624 -2.096 4.341 1.00 0.00 C ATOM 814 O TYR A 99 1.156 -3.176 4.127 1.00 0.00 O ATOM 815 CB TYR A 99 0.978 -1.237 6.646 1.00 0.00 C ATOM 816 CG TYR A 99 0.372 -0.661 7.900 1.00 0.00 C ATOM 817 CD1 TYR A 99 -0.417 0.477 7.848 1.00 0.00 C ATOM 818 CD2 TYR A 99 0.596 -1.251 9.137 1.00 0.00 C ATOM 819 CE1 TYR A 99 -0.966 1.014 8.991 1.00 0.00 C ATOM 820 CE2 TYR A 99 0.047 -0.722 10.285 1.00 0.00 C ATOM 821 CZ TYR A 99 -0.756 0.385 10.207 1.00 0.00 C ATOM 822 OH TYR A 99 -1.278 0.948 11.349 1.00 0.00 O ATOM 0 H TYR A 99 -0.117 -3.903 5.929 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.849 -1.098 5.551 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.689 -2.015 6.923 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.543 -0.456 6.136 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.604 0.950 6.896 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.210 -2.138 9.200 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.555 1.918 8.940 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.249 -1.179 11.243 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.048 0.392 12.122 1.00 0.00 H new ATOM 832 N ILE A 100 0.596 -1.125 3.449 1.00 0.00 N ATOM 833 CA ILE A 100 1.181 -1.301 2.133 1.00 0.00 C ATOM 834 C ILE A 100 2.436 -0.451 1.987 1.00 0.00 C ATOM 835 O ILE A 100 2.362 0.760 1.804 1.00 0.00 O ATOM 836 CB ILE A 100 0.173 -0.932 1.023 1.00 0.00 C ATOM 837 CG1 ILE A 100 -1.092 -1.788 1.155 1.00 0.00 C ATOM 838 CG2 ILE A 100 0.804 -1.115 -0.353 1.00 0.00 C ATOM 839 CD1 ILE A 100 -2.206 -1.394 0.206 1.00 0.00 C ATOM 0 H ILE A 100 0.176 -0.209 3.610 1.00 0.00 H new ATOM 0 HA ILE A 100 1.447 -2.353 2.027 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.103 0.117 1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.832 -2.832 0.980 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.460 -1.719 2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.080 -0.851 -1.123 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.679 -0.471 -0.441 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.105 -2.155 -0.480 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.065 -2.047 0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.497 -0.361 0.395 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.859 -1.491 -0.823 1.00 0.00 H new ATOM 851 N SER A 101 3.588 -1.086 2.082 1.00 0.00 N ATOM 852 CA SER A 101 4.846 -0.389 1.879 1.00 0.00 C ATOM 853 C SER A 101 5.373 -0.675 0.476 1.00 0.00 C ATOM 854 O SER A 101 4.982 -1.665 -0.133 1.00 0.00 O ATOM 855 CB SER A 101 5.870 -0.823 2.930 1.00 0.00 C ATOM 856 OG SER A 101 5.353 -0.672 4.242 1.00 0.00 O ATOM 0 H SER A 101 3.681 -2.079 2.297 1.00 0.00 H new ATOM 0 HA SER A 101 4.679 0.683 1.984 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.148 -1.864 2.763 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.778 -0.230 2.824 1.00 0.00 H new ATOM 0 HG SER A 101 6.027 -0.957 4.894 1.00 0.00 H new ATOM 862 N ALA A 102 6.249 0.185 -0.031 1.00 0.00 N ATOM 863 CA ALA A 102 6.806 0.002 -1.374 1.00 0.00 C ATOM 864 C ALA A 102 7.401 -1.396 -1.546 1.00 0.00 C ATOM 865 O ALA A 102 7.059 -2.112 -2.486 1.00 0.00 O ATOM 866 CB ALA A 102 7.850 1.059 -1.671 1.00 0.00 C ATOM 0 H ALA A 102 6.589 1.011 0.460 1.00 0.00 H new ATOM 0 HA ALA A 102 5.988 0.109 -2.086 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.250 0.904 -2.673 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.394 2.047 -1.611 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.658 0.987 -0.943 1.00 0.00 H new ATOM 872 N ALA A 103 8.295 -1.768 -0.633 1.00 0.00 N ATOM 873 CA ALA A 103 8.888 -3.105 -0.621 1.00 0.00 C ATOM 874 C ALA A 103 7.828 -4.201 -0.719 1.00 0.00 C ATOM 875 O ALA A 103 7.961 -5.143 -1.500 1.00 0.00 O ATOM 876 CB ALA A 103 9.716 -3.291 0.638 1.00 0.00 C ATOM 0 H ALA A 103 8.627 -1.158 0.114 1.00 0.00 H new ATOM 0 HA ALA A 103 9.530 -3.191 -1.498 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.155 -4.289 0.641 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.510 -2.545 0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.078 -3.173 1.514 1.00 0.00 H new ATOM 882 N GLU A 104 6.773 -4.066 0.071 1.00 0.00 N ATOM 883 CA GLU A 104 5.689 -5.042 0.070 1.00 0.00 C ATOM 884 C GLU A 104 5.001 -5.041 -1.287 1.00 0.00 C ATOM 885 O GLU A 104 4.809 -6.091 -1.904 1.00 0.00 O ATOM 886 CB GLU A 104 4.658 -4.701 1.143 1.00 0.00 C ATOM 887 CG GLU A 104 5.254 -4.205 2.462 1.00 0.00 C ATOM 888 CD GLU A 104 6.072 -5.250 3.210 1.00 0.00 C ATOM 889 OE1 GLU A 104 7.284 -5.357 2.945 1.00 0.00 O ATOM 890 OE2 GLU A 104 5.510 -5.954 4.092 1.00 0.00 O ATOM 0 H GLU A 104 6.643 -3.291 0.721 1.00 0.00 H new ATOM 0 HA GLU A 104 6.112 -6.025 0.277 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.986 -3.937 0.753 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.054 -5.586 1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.887 -3.341 2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.445 -3.863 3.107 1.00 0.00 H new ATOM 897 N LEU A 105 4.704 -3.829 -1.757 1.00 0.00 N ATOM 898 CA LEU A 105 3.952 -3.609 -2.986 1.00 0.00 C ATOM 899 C LEU A 105 4.622 -4.327 -4.148 1.00 0.00 C ATOM 900 O LEU A 105 3.966 -4.949 -4.970 1.00 0.00 O ATOM 901 CB LEU A 105 3.877 -2.103 -3.274 1.00 0.00 C ATOM 902 CG LEU A 105 3.184 -1.703 -4.577 1.00 0.00 C ATOM 903 CD1 LEU A 105 1.711 -2.088 -4.547 1.00 0.00 C ATOM 904 CD2 LEU A 105 3.345 -0.208 -4.815 1.00 0.00 C ATOM 0 H LEU A 105 4.983 -2.967 -1.289 1.00 0.00 H new ATOM 0 HA LEU A 105 2.944 -4.007 -2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.357 -1.621 -2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.892 -1.705 -3.288 1.00 0.00 H new ATOM 0 HG LEU A 105 3.654 -2.241 -5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.239 -1.794 -5.484 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.619 -3.166 -4.418 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.219 -1.580 -3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.848 0.068 -5.745 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.897 0.342 -3.988 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.405 0.038 -4.883 1.00 0.00 H new ATOM 916 N ARG A 106 5.938 -4.278 -4.167 1.00 0.00 N ATOM 917 CA ARG A 106 6.686 -4.842 -5.273 1.00 0.00 C ATOM 918 C ARG A 106 6.788 -6.355 -5.161 1.00 0.00 C ATOM 919 O ARG A 106 6.332 -7.068 -6.053 1.00 0.00 O ATOM 920 CB ARG A 106 8.072 -4.218 -5.383 1.00 0.00 C ATOM 921 CG ARG A 106 8.055 -2.827 -5.985 1.00 0.00 C ATOM 922 CD ARG A 106 9.438 -2.416 -6.452 1.00 0.00 C ATOM 923 NE ARG A 106 9.430 -1.131 -7.141 1.00 0.00 N ATOM 924 CZ ARG A 106 10.417 -0.712 -7.932 1.00 0.00 C ATOM 925 NH1 ARG A 106 11.455 -1.507 -8.173 1.00 0.00 N ATOM 926 NH2 ARG A 106 10.359 0.484 -8.498 1.00 0.00 N ATOM 0 H ARG A 106 6.509 -3.857 -3.435 1.00 0.00 H new ATOM 0 HA ARG A 106 6.137 -4.608 -6.185 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.522 -4.172 -4.391 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.706 -4.863 -5.992 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.361 -2.800 -6.825 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.690 -2.113 -5.247 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.108 -2.361 -5.594 1.00 0.00 H new ATOM 0 HD3 ARG A 106 9.836 -3.181 -7.119 1.00 0.00 H new ATOM 0 HE ARG A 106 8.624 -0.519 -7.010 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.495 -2.436 -7.753 1.00 0.00 H new ATOM 0 HH12 ARG A 106 12.212 -1.188 -8.778 1.00 0.00 H new ATOM 0 HH21 ARG A 106 9.556 1.090 -8.329 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.118 0.799 -9.103 1.00 0.00 H new ATOM 940 N HIS A 107 7.346 -6.834 -4.049 1.00 0.00 N ATOM 941 CA HIS A 107 7.648 -8.260 -3.870 1.00 0.00 C ATOM 942 C HIS A 107 6.414 -9.125 -4.075 1.00 0.00 C ATOM 943 O HIS A 107 6.498 -10.235 -4.600 1.00 0.00 O ATOM 944 CB HIS A 107 8.212 -8.498 -2.468 1.00 0.00 C ATOM 945 CG HIS A 107 8.740 -9.884 -2.219 1.00 0.00 C ATOM 946 ND1 HIS A 107 9.298 -10.683 -3.195 1.00 0.00 N ATOM 947 CD2 HIS A 107 8.810 -10.600 -1.072 1.00 0.00 C ATOM 948 CE1 HIS A 107 9.683 -11.826 -2.658 1.00 0.00 C ATOM 949 NE2 HIS A 107 9.400 -11.800 -1.370 1.00 0.00 N ATOM 0 H HIS A 107 7.601 -6.252 -3.251 1.00 0.00 H new ATOM 0 HA HIS A 107 8.386 -8.541 -4.621 1.00 0.00 H new ATOM 0 HB2 HIS A 107 9.015 -7.783 -2.290 1.00 0.00 H new ATOM 0 HB3 HIS A 107 7.430 -8.287 -1.738 1.00 0.00 H new ATOM 0 HD2 HIS A 107 8.464 -10.283 -0.099 1.00 0.00 H new ATOM 0 HE1 HIS A 107 10.151 -12.645 -3.185 1.00 0.00 H new ATOM 0 HE2 HIS A 107 9.589 -12.550 -0.705 1.00 0.00 H new ATOM 958 N VAL A 108 5.275 -8.607 -3.667 1.00 0.00 N ATOM 959 CA VAL A 108 4.050 -9.367 -3.758 1.00 0.00 C ATOM 960 C VAL A 108 3.419 -9.215 -5.147 1.00 0.00 C ATOM 961 O VAL A 108 2.977 -10.194 -5.750 1.00 0.00 O ATOM 962 CB VAL A 108 3.047 -8.994 -2.643 1.00 0.00 C ATOM 963 CG1 VAL A 108 2.262 -7.738 -2.979 1.00 0.00 C ATOM 964 CG2 VAL A 108 2.117 -10.164 -2.366 1.00 0.00 C ATOM 0 H VAL A 108 5.173 -7.672 -3.273 1.00 0.00 H new ATOM 0 HA VAL A 108 4.307 -10.416 -3.611 1.00 0.00 H new ATOM 0 HB VAL A 108 3.617 -8.775 -1.740 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.570 -7.514 -2.168 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.950 -6.903 -3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.702 -7.895 -3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.414 -9.892 -1.579 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.567 -10.414 -3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.702 -11.026 -2.047 1.00 0.00 H new ATOM 974 N MET A 109 3.387 -7.982 -5.650 1.00 0.00 N ATOM 975 CA MET A 109 2.680 -7.684 -6.885 1.00 0.00 C ATOM 976 C MET A 109 3.441 -8.166 -8.129 1.00 0.00 C ATOM 977 O MET A 109 3.071 -9.184 -8.719 1.00 0.00 O ATOM 978 CB MET A 109 2.410 -6.174 -6.927 1.00 0.00 C ATOM 979 CG MET A 109 1.224 -5.749 -7.774 1.00 0.00 C ATOM 980 SD MET A 109 1.561 -5.787 -9.541 1.00 0.00 S ATOM 981 CE MET A 109 -0.016 -5.247 -10.193 1.00 0.00 C ATOM 0 H MET A 109 3.843 -7.178 -5.219 1.00 0.00 H new ATOM 0 HA MET A 109 1.736 -8.229 -6.899 1.00 0.00 H new ATOM 0 HB2 MET A 109 2.252 -5.822 -5.908 1.00 0.00 H new ATOM 0 HB3 MET A 109 3.302 -5.673 -7.303 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.379 -6.403 -7.558 1.00 0.00 H new ATOM 0 HG3 MET A 109 0.926 -4.740 -7.490 1.00 0.00 H new ATOM 0 HE1 MET A 109 0.031 -5.218 -11.282 1.00 0.00 H new ATOM 0 HE2 MET A 109 -0.796 -5.942 -9.882 1.00 0.00 H new ATOM 0 HE3 MET A 109 -0.245 -4.251 -9.813 1.00 0.00 H new ATOM 991 N THR A 110 4.505 -7.471 -8.528 1.00 0.00 N ATOM 992 CA THR A 110 5.235 -7.850 -9.742 1.00 0.00 C ATOM 993 C THR A 110 6.753 -7.864 -9.556 1.00 0.00 C ATOM 994 O THR A 110 7.440 -8.786 -9.997 1.00 0.00 O ATOM 995 CB THR A 110 4.891 -6.898 -10.903 1.00 0.00 C ATOM 996 OG1 THR A 110 4.684 -5.569 -10.398 1.00 0.00 O ATOM 997 CG2 THR A 110 3.656 -7.370 -11.659 1.00 0.00 C ATOM 0 H THR A 110 4.878 -6.656 -8.040 1.00 0.00 H new ATOM 0 HA THR A 110 4.917 -8.867 -9.972 1.00 0.00 H new ATOM 0 HB THR A 110 5.729 -6.895 -11.600 1.00 0.00 H new ATOM 0 HG1 THR A 110 3.762 -5.481 -10.078 1.00 0.00 H new ATOM 0 HG21 THR A 110 3.440 -6.677 -12.472 1.00 0.00 H new ATOM 0 HG22 THR A 110 3.838 -8.364 -12.068 1.00 0.00 H new ATOM 0 HG23 THR A 110 2.805 -7.408 -10.979 1.00 0.00 H new ATOM 1005 N ASN A 111 7.266 -6.841 -8.894 1.00 0.00 N ATOM 1006 CA ASN A 111 8.704 -6.589 -8.838 1.00 0.00 C ATOM 1007 C ASN A 111 9.314 -7.253 -7.609 1.00 0.00 C ATOM 1008 O ASN A 111 8.653 -8.038 -6.933 1.00 0.00 O ATOM 1009 CB ASN A 111 8.939 -5.072 -8.822 1.00 0.00 C ATOM 1010 CG ASN A 111 10.329 -4.663 -9.276 1.00 0.00 C ATOM 1011 OD1 ASN A 111 11.258 -4.565 -8.477 1.00 0.00 O ATOM 1012 ND2 ASN A 111 10.474 -4.402 -10.565 1.00 0.00 N ATOM 0 H ASN A 111 6.704 -6.162 -8.381 1.00 0.00 H new ATOM 0 HA ASN A 111 9.190 -7.017 -9.715 1.00 0.00 H new ATOM 0 HB2 ASN A 111 8.201 -4.593 -9.465 1.00 0.00 H new ATOM 0 HB3 ASN A 111 8.772 -4.698 -7.812 1.00 0.00 H new ATOM 0 HD21 ASN A 111 11.381 -4.108 -10.927 1.00 0.00 H new ATOM 0 HD22 ASN A 111 9.679 -4.495 -11.197 1.00 0.00 H new