USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 817 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 31 HIS : no HD1:sc= -0.441 K(o=-0.44,f=-2) USER MOD Set 1.2: A 41 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -64:sc= 0.296 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN :FLIP amide:sc= 0.331 F(o=-0.83,f=0.33) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 VAL N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 SER OG : rot 21:sc= 0.154 USER MOD Single : B 7 SER OG : rot 180:sc= 0 USER MOD Single : B 8 SER OG : rot 152:sc= 0.17 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.046 -25.219 6.370 1.00 0.00 N ATOM 2 CA GLY A 1 -1.513 -26.617 6.130 1.00 0.00 C ATOM 3 C GLY A 1 -2.151 -26.802 4.756 1.00 0.00 C ATOM 4 O GLY A 1 -1.413 -26.947 3.745 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.622 -25.152 7.317 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.336 -24.962 5.654 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.854 -24.567 6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.668 -27.299 6.228 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.234 -26.891 6.900 1.00 0.00 H new ATOM 10 N ALA A 2 -3.571 -26.806 4.743 1.00 0.00 N ATOM 11 CA ALA A 2 -4.482 -26.971 3.490 1.00 0.00 C ATOM 12 C ALA A 2 -5.181 -25.615 2.950 1.00 0.00 C ATOM 13 O ALA A 2 -5.871 -25.621 1.861 1.00 0.00 O ATOM 14 CB ALA A 2 -5.518 -28.116 3.723 1.00 0.00 C ATOM 0 H ALA A 2 -4.112 -26.695 5.600 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.812 -27.248 2.676 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.149 -28.221 2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -4.991 -29.052 3.906 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -6.139 -27.875 4.586 1.00 0.00 H new ATOM 20 N MET A 3 -4.885 -24.444 3.679 1.00 0.00 N ATOM 21 CA MET A 3 -5.460 -23.034 3.434 1.00 0.00 C ATOM 22 C MET A 3 -4.529 -22.102 2.583 1.00 0.00 C ATOM 23 O MET A 3 -3.349 -21.790 2.971 1.00 0.00 O ATOM 24 CB MET A 3 -6.007 -22.329 4.761 1.00 0.00 C ATOM 25 CG MET A 3 -7.409 -22.788 5.204 1.00 0.00 C ATOM 26 SD MET A 3 -7.898 -22.133 6.811 1.00 0.00 S ATOM 27 CE MET A 3 -9.519 -22.874 7.003 1.00 0.00 C ATOM 0 H MET A 3 -4.232 -24.459 4.462 1.00 0.00 H new ATOM 0 HA MET A 3 -6.336 -23.204 2.808 1.00 0.00 H new ATOM 0 HB2 MET A 3 -5.304 -22.519 5.573 1.00 0.00 H new ATOM 0 HB3 MET A 3 -6.026 -21.251 4.602 1.00 0.00 H new ATOM 0 HG2 MET A 3 -8.139 -22.478 4.456 1.00 0.00 H new ATOM 0 HG3 MET A 3 -7.433 -23.877 5.241 1.00 0.00 H new ATOM 0 HE1 MET A 3 -9.952 -22.562 7.954 1.00 0.00 H new ATOM 0 HE2 MET A 3 -10.165 -22.552 6.187 1.00 0.00 H new ATOM 0 HE3 MET A 3 -9.427 -23.960 6.986 1.00 0.00 H new ATOM 37 N GLU A 4 -5.111 -21.730 1.361 1.00 0.00 N ATOM 38 CA GLU A 4 -4.493 -20.818 0.280 1.00 0.00 C ATOM 39 C GLU A 4 -5.112 -19.333 0.262 1.00 0.00 C ATOM 40 O GLU A 4 -6.165 -19.068 0.906 1.00 0.00 O ATOM 41 CB GLU A 4 -4.509 -21.504 -1.205 1.00 0.00 C ATOM 42 CG GLU A 4 -3.620 -22.810 -1.469 1.00 0.00 C ATOM 43 CD GLU A 4 -2.068 -22.601 -1.574 1.00 0.00 C ATOM 44 OE1 GLU A 4 -1.567 -22.373 -2.704 1.00 0.00 O ATOM 45 OE2 GLU A 4 -1.378 -22.689 -0.527 1.00 0.00 O ATOM 0 H GLU A 4 -6.038 -22.061 1.095 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.448 -20.703 0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.543 -21.758 -1.439 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.197 -20.744 -1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.813 -23.521 -0.665 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.964 -23.273 -2.394 1.00 0.00 H new ATOM 52 N MET A 5 -4.373 -18.386 -0.483 1.00 0.00 N ATOM 53 CA MET A 5 -4.639 -16.887 -0.657 1.00 0.00 C ATOM 54 C MET A 5 -5.197 -16.452 -2.122 1.00 0.00 C ATOM 55 O MET A 5 -4.995 -17.179 -3.135 1.00 0.00 O ATOM 56 CB MET A 5 -3.379 -15.977 -0.101 1.00 0.00 C ATOM 57 CG MET A 5 -1.940 -16.289 -0.628 1.00 0.00 C ATOM 58 SD MET A 5 -0.654 -15.399 0.275 1.00 0.00 S ATOM 59 CE MET A 5 0.824 -16.114 -0.438 1.00 0.00 C ATOM 0 H MET A 5 -3.540 -18.672 -0.997 1.00 0.00 H new ATOM 0 HA MET A 5 -5.488 -16.659 -0.013 1.00 0.00 H new ATOM 0 HB2 MET A 5 -3.597 -14.934 -0.331 1.00 0.00 H new ATOM 0 HB3 MET A 5 -3.360 -16.066 0.985 1.00 0.00 H new ATOM 0 HG2 MET A 5 -1.755 -17.361 -0.552 1.00 0.00 H new ATOM 0 HG3 MET A 5 -1.881 -16.029 -1.685 1.00 0.00 H new ATOM 0 HE1 MET A 5 1.704 -15.663 0.021 1.00 0.00 H new ATOM 0 HE2 MET A 5 0.831 -17.189 -0.258 1.00 0.00 H new ATOM 0 HE3 MET A 5 0.838 -15.926 -1.512 1.00 0.00 H new ATOM 69 N GLU A 6 -5.884 -15.222 -2.134 1.00 0.00 N ATOM 70 CA GLU A 6 -6.584 -14.510 -3.320 1.00 0.00 C ATOM 71 C GLU A 6 -6.132 -12.984 -3.450 1.00 0.00 C ATOM 72 O GLU A 6 -6.313 -12.171 -2.489 1.00 0.00 O ATOM 73 CB GLU A 6 -8.229 -14.734 -3.402 1.00 0.00 C ATOM 74 CG GLU A 6 -9.158 -14.316 -2.159 1.00 0.00 C ATOM 75 CD GLU A 6 -10.673 -14.513 -2.399 1.00 0.00 C ATOM 76 OE1 GLU A 6 -11.333 -13.562 -2.897 1.00 0.00 O ATOM 77 OE2 GLU A 6 -11.202 -15.604 -2.063 1.00 0.00 O ATOM 0 H GLU A 6 -5.969 -14.674 -1.278 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.224 -15.020 -4.214 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.588 -14.187 -4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.403 -15.792 -3.596 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.862 -14.899 -1.287 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.974 -13.269 -1.919 1.00 0.00 H new ATOM 84 N TYR A 7 -5.561 -12.631 -4.681 1.00 0.00 N ATOM 85 CA TYR A 7 -4.936 -11.256 -5.038 1.00 0.00 C ATOM 86 C TYR A 7 -5.897 -10.325 -5.872 1.00 0.00 C ATOM 87 O TYR A 7 -6.689 -10.832 -6.746 1.00 0.00 O ATOM 88 CB TYR A 7 -3.537 -11.445 -5.817 1.00 0.00 C ATOM 89 CG TYR A 7 -2.345 -12.210 -5.108 1.00 0.00 C ATOM 90 CD1 TYR A 7 -2.260 -13.623 -5.081 1.00 0.00 C ATOM 91 CD2 TYR A 7 -1.308 -11.501 -4.535 1.00 0.00 C ATOM 92 CE1 TYR A 7 -1.186 -14.270 -4.512 1.00 0.00 C ATOM 93 CE2 TYR A 7 -0.219 -12.152 -3.955 1.00 0.00 C ATOM 94 CZ TYR A 7 -0.162 -13.530 -3.956 1.00 0.00 C ATOM 95 OH TYR A 7 0.917 -14.167 -3.395 1.00 0.00 O ATOM 0 H TYR A 7 -5.518 -13.289 -5.459 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.760 -10.754 -4.087 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.751 -11.967 -6.750 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.175 -10.452 -6.083 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.057 -14.207 -5.517 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.341 -10.421 -4.536 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.145 -15.349 -4.501 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.578 -11.578 -3.506 1.00 0.00 H new ATOM 0 HH TYR A 7 1.547 -13.501 -3.050 1.00 0.00 H new ATOM 105 N GLU A 8 -5.814 -8.922 -5.565 1.00 0.00 N ATOM 106 CA GLU A 8 -6.687 -7.835 -6.223 1.00 0.00 C ATOM 107 C GLU A 8 -5.795 -6.624 -6.781 1.00 0.00 C ATOM 108 O GLU A 8 -4.883 -6.097 -6.068 1.00 0.00 O ATOM 109 CB GLU A 8 -7.882 -7.351 -5.210 1.00 0.00 C ATOM 110 CG GLU A 8 -9.185 -6.714 -5.869 1.00 0.00 C ATOM 111 CD GLU A 8 -10.295 -6.331 -4.867 1.00 0.00 C ATOM 112 OE1 GLU A 8 -10.277 -5.183 -4.348 1.00 0.00 O ATOM 113 OE2 GLU A 8 -11.204 -7.169 -4.632 1.00 0.00 O ATOM 0 H GLU A 8 -5.159 -8.548 -4.878 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.179 -8.267 -7.095 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.190 -8.212 -4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.463 -6.621 -4.518 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.895 -5.823 -6.426 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.594 -7.422 -6.590 1.00 0.00 H new ATOM 120 N GLU A 9 -6.102 -6.244 -8.117 1.00 0.00 N ATOM 121 CA GLU A 9 -5.517 -5.056 -8.882 1.00 0.00 C ATOM 122 C GLU A 9 -6.549 -3.847 -9.012 1.00 0.00 C ATOM 123 O GLU A 9 -7.622 -3.978 -9.700 1.00 0.00 O ATOM 124 CB GLU A 9 -4.766 -5.469 -10.286 1.00 0.00 C ATOM 125 CG GLU A 9 -5.564 -6.279 -11.428 1.00 0.00 C ATOM 126 CD GLU A 9 -4.725 -6.599 -12.685 1.00 0.00 C ATOM 127 OE1 GLU A 9 -4.086 -7.685 -12.724 1.00 0.00 O ATOM 128 OE2 GLU A 9 -4.731 -5.776 -13.640 1.00 0.00 O ATOM 0 H GLU A 9 -6.770 -6.771 -8.680 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.704 -4.673 -8.265 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.401 -4.548 -10.740 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.891 -6.063 -10.021 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.932 -7.213 -11.004 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.437 -5.698 -11.726 1.00 0.00 H new ATOM 135 N ILE A 10 -6.203 -2.696 -8.279 1.00 0.00 N ATOM 136 CA ILE A 10 -7.039 -1.395 -8.198 1.00 0.00 C ATOM 137 C ILE A 10 -6.208 -0.190 -8.926 1.00 0.00 C ATOM 138 O ILE A 10 -4.959 -0.111 -8.803 1.00 0.00 O ATOM 139 CB ILE A 10 -7.496 -1.017 -6.592 1.00 0.00 C ATOM 140 CG1 ILE A 10 -8.222 -2.259 -5.840 1.00 0.00 C ATOM 141 CG2 ILE A 10 -8.491 0.262 -6.503 1.00 0.00 C ATOM 142 CD1 ILE A 10 -7.916 -2.410 -4.311 1.00 0.00 C ATOM 0 H ILE A 10 -5.344 -2.643 -7.732 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.980 -1.537 -8.729 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.555 -0.782 -6.094 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.300 -2.154 -5.966 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.931 -3.182 -6.341 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.746 0.453 -5.461 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.996 1.138 -6.922 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.401 0.055 -7.067 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.454 -3.271 -3.916 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.845 -2.554 -4.167 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.235 -1.510 -3.785 1.00 0.00 H new ATOM 154 N THR A 11 -7.003 0.720 -9.672 1.00 0.00 N ATOM 155 CA THR A 11 -6.497 1.982 -10.386 1.00 0.00 C ATOM 156 C THR A 11 -7.197 3.273 -9.720 1.00 0.00 C ATOM 157 O THR A 11 -8.467 3.396 -9.690 1.00 0.00 O ATOM 158 CB THR A 11 -6.701 1.930 -12.034 1.00 0.00 C ATOM 159 OG1 THR A 11 -6.459 0.594 -12.534 1.00 0.00 O ATOM 160 CG2 THR A 11 -5.683 2.852 -12.801 1.00 0.00 C ATOM 0 H THR A 11 -8.008 0.586 -9.786 1.00 0.00 H new ATOM 0 HA THR A 11 -5.418 2.046 -10.247 1.00 0.00 H new ATOM 0 HB THR A 11 -7.724 2.264 -12.207 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.585 0.581 -13.506 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.862 2.779 -13.874 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.816 3.885 -12.481 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.665 2.532 -12.581 1.00 0.00 H new ATOM 168 N LEU A 12 -6.277 4.191 -9.184 1.00 0.00 N ATOM 169 CA LEU A 12 -6.582 5.520 -8.508 1.00 0.00 C ATOM 170 C LEU A 12 -6.068 6.768 -9.307 1.00 0.00 C ATOM 171 O LEU A 12 -5.044 6.694 -10.047 1.00 0.00 O ATOM 172 CB LEU A 12 -6.008 5.568 -6.940 1.00 0.00 C ATOM 173 CG LEU A 12 -6.906 5.173 -5.639 1.00 0.00 C ATOM 174 CD1 LEU A 12 -8.203 6.004 -5.418 1.00 0.00 C ATOM 175 CD2 LEU A 12 -7.156 3.670 -5.462 1.00 0.00 C ATOM 0 H LEU A 12 -5.274 4.008 -9.218 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.670 5.581 -8.489 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.131 4.921 -6.915 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.658 6.587 -6.773 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.241 5.477 -4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.714 5.649 -4.523 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.945 7.056 -5.295 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.860 5.890 -6.281 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.762 3.504 -4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.682 3.283 -6.335 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.203 3.153 -5.354 1.00 0.00 H new ATOM 187 N GLU A 13 -6.870 7.926 -9.155 1.00 0.00 N ATOM 188 CA GLU A 13 -6.532 9.347 -9.629 1.00 0.00 C ATOM 189 C GLU A 13 -6.047 10.174 -8.364 1.00 0.00 C ATOM 190 O GLU A 13 -6.750 10.188 -7.285 1.00 0.00 O ATOM 191 CB GLU A 13 -7.769 10.094 -10.349 1.00 0.00 C ATOM 192 CG GLU A 13 -8.354 9.462 -11.649 1.00 0.00 C ATOM 193 CD GLU A 13 -9.608 10.169 -12.216 1.00 0.00 C ATOM 194 OE1 GLU A 13 -9.452 11.097 -13.057 1.00 0.00 O ATOM 195 OE2 GLU A 13 -10.746 9.774 -11.841 1.00 0.00 O ATOM 0 H GLU A 13 -7.778 7.884 -8.692 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.751 9.280 -10.386 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.579 10.173 -9.623 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.453 11.110 -10.586 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.579 9.462 -12.415 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.603 8.420 -11.448 1.00 0.00 H new ATOM 202 N ARG A 14 -4.797 10.856 -8.509 1.00 0.00 N ATOM 203 CA ARG A 14 -3.996 11.641 -7.424 1.00 0.00 C ATOM 204 C ARG A 14 -4.853 12.830 -6.750 1.00 0.00 C ATOM 205 O ARG A 14 -5.221 13.851 -7.424 1.00 0.00 O ATOM 206 CB ARG A 14 -2.544 12.098 -8.055 1.00 0.00 C ATOM 207 CG ARG A 14 -1.293 12.412 -7.094 1.00 0.00 C ATOM 208 CD ARG A 14 -1.248 13.861 -6.507 1.00 0.00 C ATOM 209 NE ARG A 14 -0.044 14.083 -5.605 1.00 0.00 N ATOM 210 CZ ARG A 14 0.278 15.193 -4.777 1.00 0.00 C ATOM 211 NH1 ARG A 14 -0.511 16.310 -4.638 1.00 0.00 N ATOM 212 NH2 ARG A 14 1.411 15.150 -4.088 1.00 0.00 N ATOM 0 H ARG A 14 -4.315 10.870 -9.408 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.787 10.986 -6.578 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -2.231 11.312 -8.742 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.721 12.992 -8.653 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.305 11.703 -6.266 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.374 12.235 -7.652 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.224 14.581 -7.325 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.161 14.050 -5.943 1.00 0.00 H new ATOM 0 HE ARG A 14 0.634 13.321 -5.592 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.392 16.379 -5.148 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.216 17.070 -4.025 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.022 14.337 -4.162 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.671 15.930 -3.485 1.00 0.00 H new ATOM 226 N GLY A 15 -5.180 12.578 -5.393 1.00 0.00 N ATOM 227 CA GLY A 15 -6.099 13.446 -4.494 1.00 0.00 C ATOM 228 C GLY A 15 -5.648 14.913 -4.146 1.00 0.00 C ATOM 229 O GLY A 15 -4.426 15.220 -4.124 1.00 0.00 O ATOM 0 H GLY A 15 -4.811 11.766 -4.897 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.074 13.506 -4.978 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.242 12.912 -3.554 1.00 0.00 H new ATOM 233 N ASN A 16 -6.719 15.803 -3.858 1.00 0.00 N ATOM 234 CA ASN A 16 -6.621 17.321 -3.453 1.00 0.00 C ATOM 235 C ASN A 16 -6.138 17.571 -1.935 1.00 0.00 C ATOM 236 O ASN A 16 -5.453 18.602 -1.653 1.00 0.00 O ATOM 237 CB ASN A 16 -7.991 18.112 -3.763 1.00 0.00 C ATOM 238 CG ASN A 16 -8.331 18.327 -5.271 1.00 0.00 C ATOM 239 OD1 ASN A 16 -8.978 17.483 -5.902 1.00 0.00 O ATOM 240 ND2 ASN A 16 -7.923 19.476 -5.826 1.00 0.00 N ATOM 0 H ASN A 16 -7.688 15.487 -3.900 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.833 17.731 -4.085 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -8.814 17.568 -3.299 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.941 19.088 -3.280 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.144 19.678 -6.801 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.391 20.148 -5.274 1.00 0.00 H new ATOM 247 N SER A 17 -6.498 16.553 -0.992 1.00 0.00 N ATOM 248 CA SER A 17 -6.063 16.446 0.475 1.00 0.00 C ATOM 249 C SER A 17 -4.757 15.506 0.684 1.00 0.00 C ATOM 250 O SER A 17 -4.029 15.672 1.722 1.00 0.00 O ATOM 251 CB SER A 17 -7.268 15.957 1.380 1.00 0.00 C ATOM 252 OG SER A 17 -8.332 16.906 1.418 1.00 0.00 O ATOM 0 H SER A 17 -7.110 15.782 -1.260 1.00 0.00 H new ATOM 0 HA SER A 17 -5.770 17.448 0.789 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.644 15.007 1.000 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.909 15.775 2.393 1.00 0.00 H new ATOM 0 HG SER A 17 -9.055 16.565 1.985 1.00 0.00 H new ATOM 258 N GLY A 18 -4.455 14.558 -0.377 1.00 0.00 N ATOM 259 CA GLY A 18 -3.294 13.606 -0.405 1.00 0.00 C ATOM 260 C GLY A 18 -3.730 12.146 -0.295 1.00 0.00 C ATOM 261 O GLY A 18 -3.305 11.433 0.641 1.00 0.00 O ATOM 0 H GLY A 18 -5.042 14.478 -1.207 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.736 13.746 -1.331 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.616 13.842 0.415 1.00 0.00 H new ATOM 265 N LEU A 19 -4.626 11.698 -1.340 1.00 0.00 N ATOM 266 CA LEU A 19 -5.291 10.310 -1.547 1.00 0.00 C ATOM 267 C LEU A 19 -6.405 9.814 -0.547 1.00 0.00 C ATOM 268 O LEU A 19 -7.453 9.321 -1.022 1.00 0.00 O ATOM 269 CB LEU A 19 -4.290 9.111 -2.092 1.00 0.00 C ATOM 270 CG LEU A 19 -3.916 8.891 -3.613 1.00 0.00 C ATOM 271 CD1 LEU A 19 -5.057 8.676 -4.598 1.00 0.00 C ATOM 272 CD2 LEU A 19 -2.812 9.783 -4.119 1.00 0.00 C ATOM 0 H LEU A 19 -4.901 12.342 -2.082 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.921 10.590 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.346 9.239 -1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.724 8.173 -1.747 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.486 7.890 -3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.651 8.539 -5.600 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.623 7.789 -4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.715 9.545 -4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.621 9.565 -5.170 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.110 10.826 -4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.906 9.604 -3.540 1.00 0.00 H new ATOM 284 N GLY A 20 -6.139 9.943 0.826 1.00 0.00 N ATOM 285 CA GLY A 20 -7.096 9.554 1.947 1.00 0.00 C ATOM 286 C GLY A 20 -6.723 8.276 2.751 1.00 0.00 C ATOM 287 O GLY A 20 -7.641 7.567 3.230 1.00 0.00 O ATOM 0 H GLY A 20 -5.257 10.319 1.174 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.166 10.389 2.644 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.088 9.412 1.518 1.00 0.00 H new ATOM 291 N PHE A 21 -5.324 7.991 2.883 1.00 0.00 N ATOM 292 CA PHE A 21 -4.639 6.864 3.664 1.00 0.00 C ATOM 293 C PHE A 21 -3.114 7.314 4.024 1.00 0.00 C ATOM 294 O PHE A 21 -2.672 8.431 3.585 1.00 0.00 O ATOM 295 CB PHE A 21 -4.730 5.392 2.846 1.00 0.00 C ATOM 296 CG PHE A 21 -3.953 5.154 1.460 1.00 0.00 C ATOM 297 CD1 PHE A 21 -4.388 5.730 0.238 1.00 0.00 C ATOM 298 CD2 PHE A 21 -2.821 4.332 1.427 1.00 0.00 C ATOM 299 CE1 PHE A 21 -3.710 5.496 -0.956 1.00 0.00 C ATOM 300 CE2 PHE A 21 -2.144 4.092 0.230 1.00 0.00 C ATOM 301 CZ PHE A 21 -2.588 4.675 -0.957 1.00 0.00 C ATOM 0 H PHE A 21 -4.635 8.582 2.418 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.166 6.696 4.603 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.387 4.623 3.538 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.786 5.200 2.655 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.263 6.363 0.234 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.466 3.877 2.340 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.053 5.949 -1.874 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.274 3.453 0.223 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.059 4.488 -1.880 1.00 0.00 H new ATOM 311 N SER A 22 -2.337 6.470 4.903 1.00 0.00 N ATOM 312 CA SER A 22 -0.831 6.597 5.139 1.00 0.00 C ATOM 313 C SER A 22 -0.151 5.180 5.196 1.00 0.00 C ATOM 314 O SER A 22 -0.779 4.185 5.716 1.00 0.00 O ATOM 315 CB SER A 22 -0.456 7.480 6.388 1.00 0.00 C ATOM 316 OG SER A 22 -0.815 8.846 6.223 1.00 0.00 O ATOM 0 H SER A 22 -2.758 5.711 5.439 1.00 0.00 H new ATOM 0 HA SER A 22 -0.431 7.136 4.280 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.954 7.082 7.272 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.617 7.410 6.568 1.00 0.00 H new ATOM 0 HG SER A 22 -0.304 9.231 5.481 1.00 0.00 H new ATOM 322 N ILE A 23 1.164 5.088 4.641 1.00 0.00 N ATOM 323 CA ILE A 23 1.985 3.778 4.489 1.00 0.00 C ATOM 324 C ILE A 23 3.311 3.596 5.284 1.00 0.00 C ATOM 325 O ILE A 23 4.230 4.451 5.231 1.00 0.00 O ATOM 326 CB ILE A 23 1.989 3.038 3.023 1.00 0.00 C ATOM 327 CG1 ILE A 23 2.041 3.941 1.657 1.00 0.00 C ATOM 328 CG2 ILE A 23 0.784 2.146 3.005 1.00 0.00 C ATOM 329 CD1 ILE A 23 3.341 4.727 1.236 1.00 0.00 C ATOM 0 H ILE A 23 1.665 5.907 4.297 1.00 0.00 H new ATOM 0 HA ILE A 23 1.293 3.192 5.093 1.00 0.00 H new ATOM 0 HB ILE A 23 2.953 2.532 2.965 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.791 3.277 0.829 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.238 4.674 1.732 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.732 1.624 2.050 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.858 1.418 3.813 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.115 2.747 3.139 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.158 5.258 0.302 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.602 5.443 2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.163 4.024 1.099 1.00 0.00 H new ATOM 341 N ALA A 24 3.344 2.364 6.045 1.00 0.00 N ATOM 342 CA ALA A 24 4.464 1.888 6.944 1.00 0.00 C ATOM 343 C ALA A 24 5.271 0.719 6.238 1.00 0.00 C ATOM 344 O ALA A 24 4.701 -0.379 5.943 1.00 0.00 O ATOM 345 CB ALA A 24 3.877 1.469 8.363 1.00 0.00 C ATOM 0 H ALA A 24 2.567 1.703 6.019 1.00 0.00 H new ATOM 0 HA ALA A 24 5.173 2.697 7.118 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.688 1.127 9.006 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.387 2.328 8.822 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.153 0.665 8.234 1.00 0.00 H new ATOM 351 N GLY A 25 6.608 1.007 5.984 1.00 0.00 N ATOM 352 CA GLY A 25 7.550 0.102 5.223 1.00 0.00 C ATOM 353 C GLY A 25 8.976 0.644 5.071 1.00 0.00 C ATOM 354 O GLY A 25 9.208 1.886 5.220 1.00 0.00 O ATOM 0 H GLY A 25 7.052 1.868 6.302 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.594 -0.862 5.730 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.137 -0.078 4.231 1.00 0.00 H new ATOM 358 N GLY A 26 9.928 -0.327 4.753 1.00 0.00 N ATOM 359 CA GLY A 26 11.405 -0.051 4.684 1.00 0.00 C ATOM 360 C GLY A 26 12.332 -1.256 4.429 1.00 0.00 C ATOM 361 O GLY A 26 11.924 -2.441 4.559 1.00 0.00 O ATOM 0 H GLY A 26 9.685 -1.295 4.545 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.576 0.681 3.895 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.706 0.416 5.622 1.00 0.00 H new ATOM 365 N THR A 27 13.606 -0.884 3.993 1.00 0.00 N ATOM 366 CA THR A 27 14.883 -1.773 3.958 1.00 0.00 C ATOM 367 C THR A 27 15.897 -1.404 5.132 1.00 0.00 C ATOM 368 O THR A 27 16.515 -2.328 5.739 1.00 0.00 O ATOM 369 CB THR A 27 15.660 -1.844 2.540 1.00 0.00 C ATOM 370 OG1 THR A 27 15.761 -0.573 1.867 1.00 0.00 O ATOM 371 CG2 THR A 27 15.122 -2.945 1.620 1.00 0.00 C ATOM 0 H THR A 27 13.791 0.058 3.647 1.00 0.00 H new ATOM 0 HA THR A 27 14.491 -2.778 4.114 1.00 0.00 H new ATOM 0 HB THR A 27 16.682 -2.122 2.797 1.00 0.00 H new ATOM 0 HG1 THR A 27 16.242 -0.688 1.021 1.00 0.00 H new ATOM 0 HG21 THR A 27 15.682 -2.944 0.685 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.233 -3.913 2.108 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.068 -2.762 1.412 1.00 0.00 H new ATOM 379 N ASP A 28 16.011 -0.005 5.433 1.00 0.00 N ATOM 380 CA ASP A 28 16.836 0.621 6.560 1.00 0.00 C ATOM 381 C ASP A 28 15.932 1.159 7.787 1.00 0.00 C ATOM 382 O ASP A 28 16.399 1.113 8.967 1.00 0.00 O ATOM 383 CB ASP A 28 17.842 1.764 6.031 1.00 0.00 C ATOM 384 CG ASP A 28 19.044 1.263 5.179 1.00 0.00 C ATOM 385 OD1 ASP A 28 20.111 0.961 5.768 1.00 0.00 O ATOM 386 OD2 ASP A 28 18.908 1.196 3.933 1.00 0.00 O ATOM 0 H ASP A 28 15.520 0.699 4.882 1.00 0.00 H new ATOM 0 HA ASP A 28 17.446 -0.193 6.953 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.271 2.478 5.437 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.232 2.306 6.892 1.00 0.00 H new ATOM 391 N ASN A 29 14.595 1.624 7.464 1.00 0.00 N ATOM 392 CA ASN A 29 13.563 2.202 8.432 1.00 0.00 C ATOM 393 C ASN A 29 12.410 1.098 8.891 1.00 0.00 C ATOM 394 O ASN A 29 11.548 0.723 8.034 1.00 0.00 O ATOM 395 CB ASN A 29 12.919 3.585 7.894 1.00 0.00 C ATOM 396 CG ASN A 29 13.861 4.828 7.906 1.00 0.00 C ATOM 397 OD1 ASN A 29 14.583 5.086 6.936 1.00 0.00 O ATOM 398 ND2 ASN A 29 13.821 5.609 8.994 1.00 0.00 N ATOM 0 H ASN A 29 14.241 1.590 6.508 1.00 0.00 H new ATOM 0 HA ASN A 29 14.112 2.449 9.340 1.00 0.00 H new ATOM 0 HB2 ASN A 29 12.571 3.428 6.873 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.041 3.813 8.499 1.00 0.00 H new ATOM 0 HD21 ASN A 29 14.399 6.448 9.041 1.00 0.00 H new ATOM 0 HD22 ASN A 29 13.213 5.364 9.775 1.00 0.00 H new ATOM 405 N PRO A 30 12.424 0.479 10.308 1.00 0.00 N ATOM 406 CA PRO A 30 11.336 -0.531 10.862 1.00 0.00 C ATOM 407 C PRO A 30 9.830 0.044 11.128 1.00 0.00 C ATOM 408 O PRO A 30 9.598 1.288 11.043 1.00 0.00 O ATOM 409 CB PRO A 30 11.972 -0.988 12.247 1.00 0.00 C ATOM 410 CG PRO A 30 13.434 -0.658 12.169 1.00 0.00 C ATOM 411 CD PRO A 30 13.527 0.623 11.394 1.00 0.00 C ATOM 0 HA PRO A 30 11.155 -1.301 10.112 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.500 -0.469 13.081 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.823 -2.055 12.410 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.862 -0.544 13.165 1.00 0.00 H new ATOM 0 HG3 PRO A 30 13.988 -1.455 11.673 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.351 1.490 12.031 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.513 0.750 10.948 1.00 0.00 H new ATOM 419 N HIS A 31 8.829 -0.956 11.411 1.00 0.00 N ATOM 420 CA HIS A 31 7.424 -0.721 11.945 1.00 0.00 C ATOM 421 C HIS A 31 7.187 -1.460 13.385 1.00 0.00 C ATOM 422 O HIS A 31 6.648 -0.805 14.306 1.00 0.00 O ATOM 423 CB HIS A 31 6.248 -1.049 10.830 1.00 0.00 C ATOM 424 CG HIS A 31 4.740 -0.866 11.301 1.00 0.00 C ATOM 425 ND1 HIS A 31 4.193 0.358 11.669 1.00 0.00 N ATOM 426 CD2 HIS A 31 3.785 -1.785 11.580 1.00 0.00 C ATOM 427 CE1 HIS A 31 2.980 0.174 12.155 1.00 0.00 C ATOM 428 NE2 HIS A 31 2.713 -1.118 12.110 1.00 0.00 N ATOM 0 H HIS A 31 9.016 -1.947 11.260 1.00 0.00 H new ATOM 0 HA HIS A 31 7.334 0.348 12.138 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.413 -0.408 9.964 1.00 0.00 H new ATOM 0 HB3 HIS A 31 6.376 -2.078 10.494 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.856 -2.850 11.415 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.321 0.946 12.525 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.844 -1.552 12.421 1.00 0.00 H new ATOM 437 N ILE A 32 7.625 -2.797 13.503 1.00 0.00 N ATOM 438 CA ILE A 32 7.355 -3.770 14.632 1.00 0.00 C ATOM 439 C ILE A 32 8.733 -4.199 15.428 1.00 0.00 C ATOM 440 O ILE A 32 8.688 -4.472 16.661 1.00 0.00 O ATOM 441 CB ILE A 32 6.372 -5.073 14.049 1.00 0.00 C ATOM 442 CG1 ILE A 32 5.676 -5.931 15.145 1.00 0.00 C ATOM 443 CG2 ILE A 32 6.976 -6.038 12.943 1.00 0.00 C ATOM 444 CD1 ILE A 32 4.329 -5.389 15.680 1.00 0.00 C ATOM 0 H ILE A 32 8.197 -3.223 12.774 1.00 0.00 H new ATOM 0 HA ILE A 32 6.770 -3.287 15.415 1.00 0.00 H new ATOM 0 HB ILE A 32 5.626 -4.466 13.537 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.509 -6.930 14.743 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.362 -6.036 15.986 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.241 -6.800 12.684 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.228 -5.460 12.054 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.874 -6.518 13.331 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.938 -6.069 16.438 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.482 -4.404 16.121 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.616 -5.312 14.859 1.00 0.00 H new ATOM 456 N GLY A 33 9.873 -4.216 14.631 1.00 0.00 N ATOM 457 CA GLY A 33 11.271 -4.575 15.038 1.00 0.00 C ATOM 458 C GLY A 33 12.050 -5.300 13.945 1.00 0.00 C ATOM 459 O GLY A 33 12.299 -6.519 14.052 1.00 0.00 O ATOM 0 H GLY A 33 9.824 -3.966 13.643 1.00 0.00 H new ATOM 0 HA2 GLY A 33 11.806 -3.667 15.314 1.00 0.00 H new ATOM 0 HA3 GLY A 33 11.233 -5.205 15.926 1.00 0.00 H new ATOM 463 N ASP A 34 12.442 -4.471 12.835 1.00 0.00 N ATOM 464 CA ASP A 34 13.230 -4.804 11.543 1.00 0.00 C ATOM 465 C ASP A 34 12.415 -5.628 10.465 1.00 0.00 C ATOM 466 O ASP A 34 12.463 -6.905 10.387 1.00 0.00 O ATOM 467 CB ASP A 34 14.793 -5.218 11.711 1.00 0.00 C ATOM 468 CG ASP A 34 15.733 -4.074 12.163 1.00 0.00 C ATOM 469 OD1 ASP A 34 16.287 -3.370 11.284 1.00 0.00 O ATOM 470 OD2 ASP A 34 15.920 -3.902 13.394 1.00 0.00 O ATOM 0 H ASP A 34 12.187 -3.483 12.840 1.00 0.00 H new ATOM 0 HA ASP A 34 13.339 -3.818 11.092 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.861 -6.030 12.435 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.153 -5.608 10.759 1.00 0.00 H new ATOM 475 N ASP A 35 11.573 -4.807 9.712 1.00 0.00 N ATOM 476 CA ASP A 35 10.581 -5.207 8.609 1.00 0.00 C ATOM 477 C ASP A 35 11.196 -5.299 7.087 1.00 0.00 C ATOM 478 O ASP A 35 11.968 -4.369 6.701 1.00 0.00 O ATOM 479 CB ASP A 35 9.349 -4.218 8.634 1.00 0.00 C ATOM 480 CG ASP A 35 8.257 -4.519 9.651 1.00 0.00 C ATOM 481 OD1 ASP A 35 7.326 -5.303 9.333 1.00 0.00 O ATOM 482 OD2 ASP A 35 8.322 -3.952 10.746 1.00 0.00 O ATOM 0 H ASP A 35 11.566 -3.798 9.864 1.00 0.00 H new ATOM 0 HA ASP A 35 10.286 -6.229 8.845 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.723 -3.212 8.823 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.898 -4.209 7.642 1.00 0.00 H new ATOM 487 N PRO A 36 10.925 -6.535 6.194 1.00 0.00 N ATOM 488 CA PRO A 36 11.254 -6.581 4.675 1.00 0.00 C ATOM 489 C PRO A 36 10.139 -5.932 3.636 1.00 0.00 C ATOM 490 O PRO A 36 10.540 -5.240 2.664 1.00 0.00 O ATOM 491 CB PRO A 36 11.502 -8.128 4.395 1.00 0.00 C ATOM 492 CG PRO A 36 11.369 -8.850 5.730 1.00 0.00 C ATOM 493 CD PRO A 36 10.508 -7.972 6.623 1.00 0.00 C ATOM 0 HA PRO A 36 12.108 -5.936 4.471 1.00 0.00 H new ATOM 0 HB2 PRO A 36 10.778 -8.511 3.676 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.491 -8.289 3.967 1.00 0.00 H new ATOM 0 HG2 PRO A 36 10.911 -9.830 5.595 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.348 -9.015 6.179 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.445 -8.150 6.462 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.705 -8.152 7.680 1.00 0.00 H new ATOM 501 N SER A 37 8.745 -6.181 3.935 1.00 0.00 N ATOM 502 CA SER A 37 7.513 -5.763 3.094 1.00 0.00 C ATOM 503 C SER A 37 6.752 -4.441 3.631 1.00 0.00 C ATOM 504 O SER A 37 6.851 -4.111 4.854 1.00 0.00 O ATOM 505 CB SER A 37 6.520 -7.017 2.899 1.00 0.00 C ATOM 506 OG SER A 37 6.059 -7.590 4.140 1.00 0.00 O ATOM 0 H SER A 37 8.471 -6.683 4.779 1.00 0.00 H new ATOM 0 HA SER A 37 7.891 -5.464 2.116 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.657 -6.699 2.314 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.031 -7.787 2.321 1.00 0.00 H new ATOM 0 HG SER A 37 5.461 -8.343 3.950 1.00 0.00 H new ATOM 512 N ILE A 38 5.976 -3.701 2.653 1.00 0.00 N ATOM 513 CA ILE A 38 5.195 -2.389 2.920 1.00 0.00 C ATOM 514 C ILE A 38 3.617 -2.738 3.223 1.00 0.00 C ATOM 515 O ILE A 38 2.899 -3.297 2.368 1.00 0.00 O ATOM 516 CB ILE A 38 5.425 -1.179 1.703 1.00 0.00 C ATOM 517 CG1 ILE A 38 6.916 -1.078 0.892 1.00 0.00 C ATOM 518 CG2 ILE A 38 4.965 0.276 2.127 1.00 0.00 C ATOM 519 CD1 ILE A 38 8.315 -1.306 1.612 1.00 0.00 C ATOM 0 H ILE A 38 5.893 -4.013 1.685 1.00 0.00 H new ATOM 0 HA ILE A 38 5.612 -1.924 3.813 1.00 0.00 H new ATOM 0 HB ILE A 38 4.744 -1.598 0.962 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.870 -1.795 0.072 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.957 -0.085 0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.146 0.969 1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.902 0.266 2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.531 0.596 3.002 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.121 -1.189 0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.437 -0.574 2.411 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.348 -2.311 2.032 1.00 0.00 H new ATOM 531 N PHE A 39 3.176 -2.331 4.502 1.00 0.00 N ATOM 532 CA PHE A 39 1.856 -2.648 5.233 1.00 0.00 C ATOM 533 C PHE A 39 1.039 -1.315 5.611 1.00 0.00 C ATOM 534 O PHE A 39 1.661 -0.213 5.887 1.00 0.00 O ATOM 535 CB PHE A 39 2.296 -3.610 6.521 1.00 0.00 C ATOM 536 CG PHE A 39 1.374 -4.038 7.763 1.00 0.00 C ATOM 537 CD1 PHE A 39 0.056 -4.524 7.654 1.00 0.00 C ATOM 538 CD2 PHE A 39 1.943 -4.002 9.038 1.00 0.00 C ATOM 539 CE1 PHE A 39 -0.646 -4.938 8.785 1.00 0.00 C ATOM 540 CE2 PHE A 39 1.243 -4.411 10.170 1.00 0.00 C ATOM 541 CZ PHE A 39 -0.052 -4.881 10.040 1.00 0.00 C ATOM 0 H PHE A 39 3.772 -1.738 5.079 1.00 0.00 H new ATOM 0 HA PHE A 39 1.140 -3.183 4.609 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.640 -4.545 6.080 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.168 -3.125 6.961 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.415 -4.576 6.684 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.957 -3.646 9.149 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.657 -5.305 8.685 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.708 -4.362 11.144 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.600 -5.203 10.913 1.00 0.00 H new ATOM 551 N ILE A 40 -0.405 -1.450 5.589 1.00 0.00 N ATOM 552 CA ILE A 40 -1.423 -0.353 5.974 1.00 0.00 C ATOM 553 C ILE A 40 -1.737 -0.412 7.533 1.00 0.00 C ATOM 554 O ILE A 40 -1.910 -1.522 8.134 1.00 0.00 O ATOM 555 CB ILE A 40 -2.890 -0.393 5.109 1.00 0.00 C ATOM 556 CG1 ILE A 40 -2.902 -1.108 3.618 1.00 0.00 C ATOM 557 CG2 ILE A 40 -3.656 1.021 5.065 1.00 0.00 C ATOM 558 CD1 ILE A 40 -1.985 -0.542 2.504 1.00 0.00 C ATOM 0 H ILE A 40 -0.859 -2.318 5.305 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.937 0.584 5.703 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.450 -1.090 5.733 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.643 -2.158 3.755 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.927 -1.078 3.247 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.581 0.916 4.497 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.888 1.341 6.081 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.019 1.765 4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.116 -1.126 1.593 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.248 0.498 2.309 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.945 -0.599 2.825 1.00 0.00 H new ATOM 570 N THR A 41 -1.834 0.849 8.110 1.00 0.00 N ATOM 571 CA THR A 41 -2.120 1.182 9.603 1.00 0.00 C ATOM 572 C THR A 41 -2.971 2.493 9.823 1.00 0.00 C ATOM 573 O THR A 41 -3.696 2.570 10.879 1.00 0.00 O ATOM 574 CB THR A 41 -0.880 1.077 10.675 1.00 0.00 C ATOM 575 OG1 THR A 41 0.307 1.687 10.198 1.00 0.00 O ATOM 576 CG2 THR A 41 -0.577 -0.364 11.096 1.00 0.00 C ATOM 0 H THR A 41 -1.715 1.694 7.551 1.00 0.00 H new ATOM 0 HA THR A 41 -2.740 0.324 9.863 1.00 0.00 H new ATOM 0 HB THR A 41 -1.224 1.625 11.552 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.013 1.599 10.872 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.251 -0.370 11.805 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.459 -0.799 11.566 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.307 -0.950 10.218 1.00 0.00 H new ATOM 584 N LYS A 42 -2.938 3.533 8.782 1.00 0.00 N ATOM 585 CA LYS A 42 -3.752 4.800 8.869 1.00 0.00 C ATOM 586 C LYS A 42 -4.730 4.939 7.618 1.00 0.00 C ATOM 587 O LYS A 42 -4.294 4.815 6.428 1.00 0.00 O ATOM 588 CB LYS A 42 -2.776 6.089 9.094 1.00 0.00 C ATOM 589 CG LYS A 42 -3.278 7.306 9.964 1.00 0.00 C ATOM 590 CD LYS A 42 -4.168 8.350 9.195 1.00 0.00 C ATOM 591 CE LYS A 42 -4.522 9.589 10.029 1.00 0.00 C ATOM 592 NZ LYS A 42 -5.602 9.376 11.082 1.00 0.00 N ATOM 0 H LYS A 42 -2.367 3.466 7.940 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.402 4.754 9.743 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.853 5.724 9.546 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.517 6.477 8.109 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.847 6.919 10.809 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.410 7.823 10.374 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.644 8.667 8.293 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.089 7.863 8.874 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.618 9.943 10.525 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.847 10.381 9.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.771 10.267 11.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.482 9.070 10.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.292 8.646 11.755 1.00 0.00 H new ATOM 606 N ILE A 43 -6.088 5.125 7.969 1.00 0.00 N ATOM 607 CA ILE A 43 -7.240 5.422 7.026 1.00 0.00 C ATOM 608 C ILE A 43 -7.963 6.782 7.507 1.00 0.00 C ATOM 609 O ILE A 43 -8.321 6.925 8.722 1.00 0.00 O ATOM 610 CB ILE A 43 -8.322 4.061 6.825 1.00 0.00 C ATOM 611 CG1 ILE A 43 -7.637 2.691 6.183 1.00 0.00 C ATOM 612 CG2 ILE A 43 -9.770 4.329 6.154 1.00 0.00 C ATOM 613 CD1 ILE A 43 -6.889 2.750 4.774 1.00 0.00 C ATOM 0 H ILE A 43 -6.396 5.067 8.940 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.855 5.585 6.019 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.531 3.879 7.879 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.920 2.316 6.913 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.427 1.944 6.098 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.324 3.392 6.097 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.326 5.043 6.762 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.637 4.733 5.150 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.509 1.760 4.522 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.588 3.077 4.004 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.059 3.454 4.832 1.00 0.00 H new ATOM 625 N ILE A 44 -8.156 7.750 6.490 1.00 0.00 N ATOM 626 CA ILE A 44 -8.954 9.065 6.617 1.00 0.00 C ATOM 627 C ILE A 44 -10.590 8.787 6.365 1.00 0.00 C ATOM 628 O ILE A 44 -10.918 8.126 5.343 1.00 0.00 O ATOM 629 CB ILE A 44 -8.261 10.339 5.660 1.00 0.00 C ATOM 630 CG1 ILE A 44 -6.832 10.856 6.158 1.00 0.00 C ATOM 631 CG2 ILE A 44 -9.135 11.630 5.423 1.00 0.00 C ATOM 632 CD1 ILE A 44 -5.618 9.981 5.894 1.00 0.00 C ATOM 0 H ILE A 44 -7.757 7.631 5.559 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.877 9.436 7.639 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.182 9.798 4.717 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.650 11.826 5.696 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.895 11.022 7.233 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.578 12.339 4.811 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.058 11.356 4.912 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.374 12.089 6.382 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.726 10.467 6.290 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.752 9.016 6.382 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.503 9.832 4.820 1.00 0.00 H new ATOM 644 N PRO A 45 -11.643 9.330 7.345 1.00 0.00 N ATOM 645 CA PRO A 45 -13.187 9.136 7.173 1.00 0.00 C ATOM 646 C PRO A 45 -13.904 9.847 5.881 1.00 0.00 C ATOM 647 O PRO A 45 -15.008 9.371 5.449 1.00 0.00 O ATOM 648 CB PRO A 45 -13.774 9.668 8.541 1.00 0.00 C ATOM 649 CG PRO A 45 -12.613 9.716 9.501 1.00 0.00 C ATOM 650 CD PRO A 45 -11.409 10.093 8.675 1.00 0.00 C ATOM 0 HA PRO A 45 -13.395 8.089 6.954 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.219 10.655 8.417 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.559 9.009 8.911 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -12.789 10.446 10.291 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.467 8.751 9.986 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.350 11.170 8.517 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.479 9.790 9.156 1.00 0.00 H new ATOM 658 N GLY A 46 -13.206 10.945 5.290 1.00 0.00 N ATOM 659 CA GLY A 46 -13.684 11.721 4.092 1.00 0.00 C ATOM 660 C GLY A 46 -12.656 11.911 2.933 1.00 0.00 C ATOM 661 O GLY A 46 -12.628 13.028 2.345 1.00 0.00 O ATOM 0 H GLY A 46 -12.314 11.283 5.652 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.564 11.220 3.689 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.005 12.707 4.429 1.00 0.00 H new ATOM 665 N GLY A 47 -11.790 10.800 2.617 1.00 0.00 N ATOM 666 CA GLY A 47 -10.833 10.748 1.429 1.00 0.00 C ATOM 667 C GLY A 47 -11.389 10.053 0.126 1.00 0.00 C ATOM 668 O GLY A 47 -12.573 9.610 0.079 1.00 0.00 O ATOM 0 H GLY A 47 -11.762 9.953 3.185 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.541 11.768 1.177 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.928 10.225 1.739 1.00 0.00 H new ATOM 672 N ALA A 48 -10.462 9.985 -0.941 1.00 0.00 N ATOM 673 CA ALA A 48 -10.673 9.424 -2.358 1.00 0.00 C ATOM 674 C ALA A 48 -10.561 7.819 -2.502 1.00 0.00 C ATOM 675 O ALA A 48 -11.341 7.235 -3.278 1.00 0.00 O ATOM 676 CB ALA A 48 -9.752 10.191 -3.375 1.00 0.00 C ATOM 0 H ALA A 48 -9.512 10.336 -0.822 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.719 9.610 -2.602 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.904 9.791 -4.377 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.004 11.251 -3.366 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.708 10.063 -3.088 1.00 0.00 H new ATOM 682 N ALA A 49 -9.560 7.133 -1.710 1.00 0.00 N ATOM 683 CA ALA A 49 -9.315 5.594 -1.645 1.00 0.00 C ATOM 684 C ALA A 49 -10.296 4.759 -0.668 1.00 0.00 C ATOM 685 O ALA A 49 -10.516 3.509 -0.895 1.00 0.00 O ATOM 686 CB ALA A 49 -7.829 5.299 -1.364 1.00 0.00 C ATOM 0 H ALA A 49 -8.915 7.647 -1.110 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.582 5.224 -2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.674 4.221 -1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.217 5.723 -2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.543 5.744 -0.411 1.00 0.00 H new ATOM 692 N ALA A 50 -10.912 5.505 0.408 1.00 0.00 N ATOM 693 CA ALA A 50 -11.923 4.990 1.438 1.00 0.00 C ATOM 694 C ALA A 50 -13.445 4.992 0.894 1.00 0.00 C ATOM 695 O ALA A 50 -14.180 3.989 1.122 1.00 0.00 O ATOM 696 CB ALA A 50 -11.775 5.796 2.783 1.00 0.00 C ATOM 0 H ALA A 50 -10.694 6.490 0.555 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.691 3.942 1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.497 5.425 3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.766 5.668 3.175 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -11.960 6.854 2.596 1.00 0.00 H new ATOM 702 N GLN A 51 -13.872 6.160 0.147 1.00 0.00 N ATOM 703 CA GLN A 51 -15.243 6.398 -0.507 1.00 0.00 C ATOM 704 C GLN A 51 -15.364 5.920 -2.043 1.00 0.00 C ATOM 705 O GLN A 51 -16.249 5.070 -2.334 1.00 0.00 O ATOM 706 CB GLN A 51 -15.756 7.916 -0.338 1.00 0.00 C ATOM 707 CG GLN A 51 -15.943 8.447 1.132 1.00 0.00 C ATOM 708 CD GLN A 51 -16.743 9.777 1.261 1.00 0.00 C ATOM 709 OE1 GLN A 51 -17.979 9.768 1.385 1.00 0.00 O ATOM 710 NE2 GLN A 51 -16.035 10.923 1.282 1.00 0.00 N ATOM 0 H GLN A 51 -13.243 6.949 0.001 1.00 0.00 H new ATOM 0 HA GLN A 51 -15.908 5.743 0.056 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -15.050 8.571 -0.848 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -16.710 8.011 -0.857 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -16.449 7.679 1.717 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.958 8.589 1.578 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -15.021 10.898 1.178 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -16.513 11.816 1.402 1.00 0.00 H new ATOM 719 N ASP A 52 -14.426 6.478 -3.012 1.00 0.00 N ATOM 720 CA ASP A 52 -14.463 6.282 -4.540 1.00 0.00 C ATOM 721 C ASP A 52 -13.644 5.038 -5.155 1.00 0.00 C ATOM 722 O ASP A 52 -14.134 4.428 -6.160 1.00 0.00 O ATOM 723 CB ASP A 52 -14.085 7.643 -5.278 1.00 0.00 C ATOM 724 CG ASP A 52 -15.213 8.708 -5.361 1.00 0.00 C ATOM 725 OD1 ASP A 52 -15.310 9.554 -4.438 1.00 0.00 O ATOM 726 OD2 ASP A 52 -15.975 8.697 -6.361 1.00 0.00 O ATOM 0 H ASP A 52 -13.645 7.065 -2.719 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.497 6.001 -4.737 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.231 8.086 -4.766 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.761 7.406 -6.291 1.00 0.00 H new ATOM 731 N GLY A 53 -12.427 4.644 -4.498 1.00 0.00 N ATOM 732 CA GLY A 53 -11.433 3.578 -5.011 1.00 0.00 C ATOM 733 C GLY A 53 -11.726 2.088 -4.642 1.00 0.00 C ATOM 734 O GLY A 53 -11.740 1.228 -5.548 1.00 0.00 O ATOM 0 H GLY A 53 -12.132 5.061 -3.615 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.388 3.654 -6.097 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.442 3.831 -4.633 1.00 0.00 H new ATOM 738 N ARG A 54 -11.974 1.813 -3.260 1.00 0.00 N ATOM 739 CA ARG A 54 -12.285 0.458 -2.523 1.00 0.00 C ATOM 740 C ARG A 54 -11.034 -0.348 -1.942 1.00 0.00 C ATOM 741 O ARG A 54 -10.737 -1.545 -2.318 1.00 0.00 O ATOM 742 CB ARG A 54 -13.502 -0.455 -3.082 1.00 0.00 C ATOM 743 CG ARG A 54 -14.927 0.087 -2.841 1.00 0.00 C ATOM 744 CD ARG A 54 -15.993 -0.863 -3.389 1.00 0.00 C ATOM 745 NE ARG A 54 -17.405 -0.341 -3.156 1.00 0.00 N ATOM 746 CZ ARG A 54 -18.659 -0.928 -3.482 1.00 0.00 C ATOM 747 NH1 ARG A 54 -18.807 -2.146 -4.099 1.00 0.00 N ATOM 748 NH2 ARG A 54 -19.761 -0.257 -3.169 1.00 0.00 N ATOM 0 H ARG A 54 -11.961 2.581 -2.589 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.744 0.871 -1.625 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.364 -0.591 -4.155 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.429 -1.441 -2.624 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.085 0.234 -1.773 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.030 1.063 -3.315 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.833 -1.008 -4.457 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.886 -1.839 -2.915 1.00 0.00 H new ATOM 0 HE ARG A 54 -17.460 0.568 -2.696 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -17.984 -2.692 -4.354 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -19.740 -2.505 -4.302 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -19.692 0.651 -2.709 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -20.677 -0.649 -3.389 1.00 0.00 H new ATOM 762 N LEU A 55 -10.210 0.444 -1.107 1.00 0.00 N ATOM 763 CA LEU A 55 -9.082 -0.013 -0.233 1.00 0.00 C ATOM 764 C LEU A 55 -9.454 0.137 1.321 1.00 0.00 C ATOM 765 O LEU A 55 -9.930 1.225 1.791 1.00 0.00 O ATOM 766 CB LEU A 55 -7.694 0.739 -0.693 1.00 0.00 C ATOM 767 CG LEU A 55 -6.365 0.663 0.170 1.00 0.00 C ATOM 768 CD1 LEU A 55 -5.228 -0.013 -0.570 1.00 0.00 C ATOM 769 CD2 LEU A 55 -5.995 2.065 0.566 1.00 0.00 C ATOM 0 H LEU A 55 -10.345 1.453 -1.045 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.907 -1.081 -0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.446 0.360 -1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.933 1.796 -0.807 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.547 0.049 1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.343 -0.038 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.517 -1.031 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.004 0.544 -1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.083 2.046 1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.831 2.665 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.803 2.502 1.153 1.00 0.00 H new ATOM 781 N ARG A 56 -9.226 -1.028 2.051 1.00 0.00 N ATOM 782 CA ARG A 56 -9.290 -1.203 3.565 1.00 0.00 C ATOM 783 C ARG A 56 -7.831 -1.464 4.169 1.00 0.00 C ATOM 784 O ARG A 56 -6.917 -1.999 3.467 1.00 0.00 O ATOM 785 CB ARG A 56 -10.337 -2.356 4.013 1.00 0.00 C ATOM 786 CG ARG A 56 -11.820 -2.043 3.893 1.00 0.00 C ATOM 787 CD ARG A 56 -12.569 -3.224 4.422 1.00 0.00 C ATOM 788 NE ARG A 56 -14.074 -3.008 4.484 1.00 0.00 N ATOM 789 CZ ARG A 56 -15.095 -3.849 5.011 1.00 0.00 C ATOM 790 NH1 ARG A 56 -14.866 -5.072 5.592 1.00 0.00 N ATOM 791 NH2 ARG A 56 -16.350 -3.425 4.940 1.00 0.00 N ATOM 0 H ARG A 56 -8.984 -1.901 1.582 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.668 -0.269 3.981 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.132 -3.246 3.418 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.130 -2.613 5.052 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.070 -1.145 4.458 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.089 -1.851 2.854 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.359 -4.089 3.793 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.202 -3.460 5.421 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.401 -2.127 4.088 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.914 -5.431 5.667 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.648 -5.622 5.949 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.560 -2.521 4.517 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -17.105 -4.003 5.308 1.00 0.00 H new ATOM 805 N VAL A 57 -7.646 -1.094 5.519 1.00 0.00 N ATOM 806 CA VAL A 57 -6.375 -1.237 6.427 1.00 0.00 C ATOM 807 C VAL A 57 -5.720 -2.747 6.520 1.00 0.00 C ATOM 808 O VAL A 57 -4.486 -2.910 6.741 1.00 0.00 O ATOM 809 CB VAL A 57 -6.722 -0.557 7.868 1.00 0.00 C ATOM 810 CG1 VAL A 57 -7.641 -1.255 8.901 1.00 0.00 C ATOM 811 CG2 VAL A 57 -5.673 0.311 8.444 1.00 0.00 C ATOM 0 H VAL A 57 -8.412 -0.666 6.038 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.553 -0.701 5.952 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.492 0.100 7.463 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.736 -0.627 9.787 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.626 -1.414 8.462 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.209 -2.216 9.182 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.013 0.707 9.401 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.763 -0.269 8.595 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.468 1.136 7.762 1.00 0.00 H new ATOM 821 N ASN A 58 -6.659 -3.752 6.345 1.00 0.00 N ATOM 822 CA ASN A 58 -6.453 -5.211 6.333 1.00 0.00 C ATOM 823 C ASN A 58 -6.158 -5.832 4.826 1.00 0.00 C ATOM 824 O ASN A 58 -6.055 -7.095 4.680 1.00 0.00 O ATOM 825 CB ASN A 58 -7.640 -5.923 7.223 1.00 0.00 C ATOM 826 CG ASN A 58 -9.131 -5.887 6.679 1.00 0.00 C ATOM 827 OD1 ASN A 58 -9.556 -6.777 5.938 1.00 0.00 O ATOM 828 ND2 ASN A 58 -9.893 -4.864 7.077 1.00 0.00 N ATOM 0 H ASN A 58 -7.642 -3.519 6.200 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.515 -5.462 6.828 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.365 -6.968 7.363 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -7.637 -5.458 8.209 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.863 -4.800 6.767 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.505 -4.147 7.690 1.00 0.00 H new ATOM 835 N ASP A 59 -5.939 -4.863 3.719 1.00 0.00 N ATOM 836 CA ASP A 59 -5.669 -5.280 2.249 1.00 0.00 C ATOM 837 C ASP A 59 -4.148 -5.542 1.863 1.00 0.00 C ATOM 838 O ASP A 59 -3.873 -6.423 0.983 1.00 0.00 O ATOM 839 CB ASP A 59 -6.409 -4.353 1.190 1.00 0.00 C ATOM 840 CG ASP A 59 -7.885 -4.729 0.908 1.00 0.00 C ATOM 841 OD1 ASP A 59 -8.779 -4.228 1.616 1.00 0.00 O ATOM 842 OD2 ASP A 59 -8.131 -5.513 -0.043 1.00 0.00 O ATOM 0 H ASP A 59 -5.953 -3.853 3.857 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.125 -6.269 2.193 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.374 -3.323 1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.856 -4.386 0.251 1.00 0.00 H new ATOM 847 N SER A 60 -3.119 -4.749 2.560 1.00 0.00 N ATOM 848 CA SER A 60 -1.527 -4.842 2.448 1.00 0.00 C ATOM 849 C SER A 60 -0.924 -4.909 0.969 1.00 0.00 C ATOM 850 O SER A 60 -1.237 -5.870 0.195 1.00 0.00 O ATOM 851 CB SER A 60 -0.905 -5.976 3.388 1.00 0.00 C ATOM 852 OG SER A 60 -1.200 -5.752 4.755 1.00 0.00 O ATOM 0 H SER A 60 -3.394 -4.022 3.220 1.00 0.00 H new ATOM 0 HA SER A 60 -1.205 -3.870 2.823 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.294 -6.949 3.088 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.176 -6.008 3.251 1.00 0.00 H new ATOM 0 HG SER A 60 -0.804 -6.467 5.296 1.00 0.00 H new ATOM 858 N ILE A 61 -0.023 -3.885 0.606 1.00 0.00 N ATOM 859 CA ILE A 61 0.591 -3.717 -0.816 1.00 0.00 C ATOM 860 C ILE A 61 1.928 -4.620 -0.987 1.00 0.00 C ATOM 861 O ILE A 61 2.833 -4.607 -0.107 1.00 0.00 O ATOM 862 CB ILE A 61 0.806 -2.070 -1.285 1.00 0.00 C ATOM 863 CG1 ILE A 61 -0.608 -1.230 -1.147 1.00 0.00 C ATOM 864 CG2 ILE A 61 1.386 -1.928 -2.805 1.00 0.00 C ATOM 865 CD1 ILE A 61 -0.569 0.355 -1.076 1.00 0.00 C ATOM 0 H ILE A 61 0.292 -3.173 1.265 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.143 -4.101 -1.525 1.00 0.00 H new ATOM 0 HB ILE A 61 1.546 -1.647 -0.605 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.235 -1.504 -1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.113 -1.585 -0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.504 -0.873 -3.052 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.353 -2.427 -2.874 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.689 -2.389 -3.505 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.585 0.740 -0.987 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.014 0.666 -0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.110 0.749 -1.983 1.00 0.00 H new ATOM 877 N LEU A 62 1.956 -5.405 -2.176 1.00 0.00 N ATOM 878 CA LEU A 62 3.189 -6.119 -2.706 1.00 0.00 C ATOM 879 C LEU A 62 3.897 -5.304 -3.842 1.00 0.00 C ATOM 880 O LEU A 62 5.149 -5.125 -3.788 1.00 0.00 O ATOM 881 CB LEU A 62 2.949 -7.700 -3.076 1.00 0.00 C ATOM 882 CG LEU A 62 1.894 -8.179 -4.177 1.00 0.00 C ATOM 883 CD1 LEU A 62 2.261 -9.542 -4.631 1.00 0.00 C ATOM 884 CD2 LEU A 62 0.471 -8.239 -3.655 1.00 0.00 C ATOM 0 H LEU A 62 1.132 -5.542 -2.762 1.00 0.00 H new ATOM 0 HA LEU A 62 3.890 -6.156 -1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.917 -8.099 -3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.676 -8.199 -2.146 1.00 0.00 H new ATOM 0 HG LEU A 62 1.928 -7.447 -4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.548 -9.879 -5.383 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.262 -9.525 -5.062 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.244 -10.225 -3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.195 -8.571 -4.451 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.418 -8.940 -2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.166 -7.249 -3.316 1.00 0.00 H new ATOM 896 N PHE A 63 3.025 -4.783 -4.872 1.00 0.00 N ATOM 897 CA PHE A 63 3.504 -4.019 -6.108 1.00 0.00 C ATOM 898 C PHE A 63 2.717 -2.710 -6.342 1.00 0.00 C ATOM 899 O PHE A 63 1.485 -2.684 -6.176 1.00 0.00 O ATOM 900 CB PHE A 63 3.480 -4.974 -7.447 1.00 0.00 C ATOM 901 CG PHE A 63 4.562 -6.120 -7.517 1.00 0.00 C ATOM 902 CD1 PHE A 63 4.408 -7.323 -6.810 1.00 0.00 C ATOM 903 CD2 PHE A 63 5.696 -5.963 -8.281 1.00 0.00 C ATOM 904 CE1 PHE A 63 5.340 -8.320 -6.864 1.00 0.00 C ATOM 905 CE2 PHE A 63 6.645 -6.949 -8.359 1.00 0.00 C ATOM 906 CZ PHE A 63 6.475 -8.148 -7.654 1.00 0.00 C ATOM 0 H PHE A 63 2.012 -4.894 -4.839 1.00 0.00 H new ATOM 0 HA PHE A 63 4.537 -3.732 -5.913 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.494 -5.432 -7.521 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.602 -4.336 -8.322 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.525 -7.465 -6.204 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.841 -5.044 -8.830 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.199 -9.231 -6.301 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.526 -6.801 -8.966 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.216 -8.931 -7.722 1.00 0.00 H new ATOM 916 N VAL A 64 3.477 -1.577 -6.656 1.00 0.00 N ATOM 917 CA VAL A 64 2.891 -0.219 -7.090 1.00 0.00 C ATOM 918 C VAL A 64 3.414 0.187 -8.451 1.00 0.00 C ATOM 919 O VAL A 64 4.530 -0.064 -8.710 1.00 0.00 O ATOM 920 CB VAL A 64 2.812 1.043 -6.042 1.00 0.00 C ATOM 921 CG1 VAL A 64 1.580 1.020 -5.209 1.00 0.00 C ATOM 922 CG2 VAL A 64 4.047 1.391 -5.169 1.00 0.00 C ATOM 0 H VAL A 64 4.496 -1.576 -6.617 1.00 0.00 H new ATOM 0 HA VAL A 64 1.829 -0.463 -7.122 1.00 0.00 H new ATOM 0 HB VAL A 64 2.789 1.867 -6.755 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.580 1.877 -4.535 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.703 1.067 -5.855 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.552 0.100 -4.626 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.816 2.250 -4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.301 0.537 -4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.892 1.631 -5.814 1.00 0.00 H new ATOM 932 N ASN A 65 2.529 0.827 -9.360 1.00 0.00 N ATOM 933 CA ASN A 65 2.846 1.322 -10.855 1.00 0.00 C ATOM 934 C ASN A 65 2.970 0.124 -11.970 1.00 0.00 C ATOM 935 O ASN A 65 3.010 0.400 -13.196 1.00 0.00 O ATOM 936 CB ASN A 65 4.194 2.334 -10.970 1.00 0.00 C ATOM 937 CG ASN A 65 3.941 3.784 -10.591 1.00 0.00 C ATOM 938 OD1 ASN A 65 3.623 4.620 -11.586 1.00 0.00 O flip ATOM 939 ND2 ASN A 65 4.056 4.151 -9.435 1.00 0.00 N flip ATOM 0 H ASN A 65 1.564 1.026 -9.097 1.00 0.00 H new ATOM 0 HA ASN A 65 1.955 1.901 -11.097 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.982 1.939 -10.329 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.568 2.301 -11.993 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.300 3.478 -8.708 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.908 5.131 -9.194 1.00 0.00 H new ATOM 946 N GLU A 66 2.898 -1.218 -11.447 1.00 0.00 N ATOM 947 CA GLU A 66 3.420 -2.596 -12.012 1.00 0.00 C ATOM 948 C GLU A 66 5.022 -2.836 -11.680 1.00 0.00 C ATOM 949 O GLU A 66 5.669 -3.825 -12.153 1.00 0.00 O ATOM 950 CB GLU A 66 2.866 -3.129 -13.502 1.00 0.00 C ATOM 951 CG GLU A 66 3.300 -2.391 -14.838 1.00 0.00 C ATOM 952 CD GLU A 66 2.707 -3.001 -16.129 1.00 0.00 C ATOM 953 OE1 GLU A 66 1.603 -2.561 -16.554 1.00 0.00 O ATOM 954 OE2 GLU A 66 3.360 -3.896 -16.731 1.00 0.00 O ATOM 0 H GLU A 66 2.437 -1.370 -10.550 1.00 0.00 H new ATOM 0 HA GLU A 66 2.870 -3.329 -11.422 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.164 -4.173 -13.601 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.777 -3.111 -13.465 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.000 -1.345 -14.774 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.388 -2.407 -14.910 1.00 0.00 H new ATOM 961 N VAL A 67 5.560 -1.904 -10.707 1.00 0.00 N ATOM 962 CA VAL A 67 6.962 -1.771 -10.181 1.00 0.00 C ATOM 963 C VAL A 67 7.124 -2.513 -8.747 1.00 0.00 C ATOM 964 O VAL A 67 6.150 -2.510 -7.884 1.00 0.00 O ATOM 965 CB VAL A 67 7.449 -0.150 -10.256 1.00 0.00 C ATOM 966 CG1 VAL A 67 7.424 0.811 -8.994 1.00 0.00 C ATOM 967 CG2 VAL A 67 8.617 0.111 -11.146 1.00 0.00 C ATOM 0 H VAL A 67 4.948 -1.210 -10.278 1.00 0.00 H new ATOM 0 HA VAL A 67 7.669 -2.304 -10.816 1.00 0.00 H new ATOM 0 HB VAL A 67 6.525 0.189 -10.724 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.780 1.800 -9.283 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.405 0.888 -8.615 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.071 0.406 -8.215 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.856 1.174 -11.130 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.477 -0.459 -10.795 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.373 -0.191 -12.164 1.00 0.00 H new ATOM 977 N ASP A 68 8.421 -3.004 -8.512 1.00 0.00 N ATOM 978 CA ASP A 68 8.895 -3.859 -7.362 1.00 0.00 C ATOM 979 C ASP A 68 9.282 -3.046 -6.075 1.00 0.00 C ATOM 980 O ASP A 68 10.402 -2.444 -5.957 1.00 0.00 O ATOM 981 CB ASP A 68 9.948 -5.050 -7.791 1.00 0.00 C ATOM 982 CG ASP A 68 11.273 -4.636 -8.541 1.00 0.00 C ATOM 983 OD1 ASP A 68 12.290 -4.375 -7.857 1.00 0.00 O ATOM 984 OD2 ASP A 68 11.262 -4.593 -9.793 1.00 0.00 O ATOM 0 H ASP A 68 9.182 -2.794 -9.158 1.00 0.00 H new ATOM 0 HA ASP A 68 8.012 -4.416 -7.048 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.231 -5.587 -6.886 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.412 -5.756 -8.426 1.00 0.00 H new ATOM 989 N VAL A 69 8.233 -3.003 -5.172 1.00 0.00 N ATOM 990 CA VAL A 69 8.209 -2.331 -3.805 1.00 0.00 C ATOM 991 C VAL A 69 8.445 -3.366 -2.580 1.00 0.00 C ATOM 992 O VAL A 69 8.572 -2.944 -1.412 1.00 0.00 O ATOM 993 CB VAL A 69 6.923 -1.304 -3.758 1.00 0.00 C ATOM 994 CG1 VAL A 69 5.730 -1.444 -2.721 1.00 0.00 C ATOM 995 CG2 VAL A 69 7.354 0.115 -3.993 1.00 0.00 C ATOM 0 H VAL A 69 7.343 -3.454 -5.383 1.00 0.00 H new ATOM 0 HA VAL A 69 9.078 -1.692 -3.647 1.00 0.00 H new ATOM 0 HB VAL A 69 6.359 -1.719 -4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.005 -0.648 -2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.245 -2.411 -2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.120 -1.369 -1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.484 0.770 -3.956 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.065 0.412 -3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.827 0.194 -4.972 1.00 0.00 H new ATOM 1005 N ARG A 70 8.577 -4.723 -2.960 1.00 0.00 N ATOM 1006 CA ARG A 70 8.912 -5.956 -2.034 1.00 0.00 C ATOM 1007 C ARG A 70 10.314 -5.857 -1.209 1.00 0.00 C ATOM 1008 O ARG A 70 10.466 -6.513 -0.132 1.00 0.00 O ATOM 1009 CB ARG A 70 8.845 -7.325 -2.839 1.00 0.00 C ATOM 1010 CG ARG A 70 7.460 -7.993 -2.964 1.00 0.00 C ATOM 1011 CD ARG A 70 7.588 -9.371 -3.624 1.00 0.00 C ATOM 1012 NE ARG A 70 6.286 -10.160 -3.618 1.00 0.00 N ATOM 1013 CZ ARG A 70 6.071 -11.550 -3.854 1.00 0.00 C ATOM 1014 NH1 ARG A 70 7.065 -12.443 -4.176 1.00 0.00 N ATOM 1015 NH2 ARG A 70 4.836 -12.018 -3.759 1.00 0.00 N ATOM 0 H ARG A 70 8.454 -5.008 -3.932 1.00 0.00 H new ATOM 0 HA ARG A 70 8.129 -5.931 -1.276 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.228 -7.147 -3.844 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.522 -8.033 -2.361 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.009 -8.096 -1.977 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.796 -7.361 -3.554 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.924 -9.244 -4.653 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.356 -9.945 -3.106 1.00 0.00 H new ATOM 0 HE ARG A 70 5.447 -9.616 -3.416 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.030 -12.124 -4.260 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.838 -13.425 -4.331 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.069 -11.389 -3.522 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.652 -13.008 -3.922 1.00 0.00 H new ATOM 1029 N GLU A 71 11.305 -4.932 -1.743 1.00 0.00 N ATOM 1030 CA GLU A 71 12.698 -4.617 -1.227 1.00 0.00 C ATOM 1031 C GLU A 71 13.131 -3.176 -1.720 1.00 0.00 C ATOM 1032 O GLU A 71 13.785 -2.974 -2.821 1.00 0.00 O ATOM 1033 CB GLU A 71 13.816 -5.724 -1.534 1.00 0.00 C ATOM 1034 CG GLU A 71 13.975 -6.880 -0.492 1.00 0.00 C ATOM 1035 CD GLU A 71 15.063 -7.923 -0.843 1.00 0.00 C ATOM 1036 OE1 GLU A 71 16.239 -7.738 -0.423 1.00 0.00 O ATOM 1037 OE2 GLU A 71 14.730 -8.943 -1.509 1.00 0.00 O ATOM 0 H GLU A 71 11.097 -4.388 -2.580 1.00 0.00 H new ATOM 0 HA GLU A 71 12.629 -4.633 -0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.594 -6.170 -2.504 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.777 -5.218 -1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 71 14.208 -6.445 0.480 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.019 -7.393 -0.390 1.00 0.00 H new ATOM 1044 N VAL A 72 12.607 -2.154 -0.930 1.00 0.00 N ATOM 1045 CA VAL A 72 12.826 -0.629 -1.077 1.00 0.00 C ATOM 1046 C VAL A 72 12.829 0.067 0.373 1.00 0.00 C ATOM 1047 O VAL A 72 12.289 -0.515 1.329 1.00 0.00 O ATOM 1048 CB VAL A 72 11.717 0.179 -2.133 1.00 0.00 C ATOM 1049 CG1 VAL A 72 11.741 -0.267 -3.601 1.00 0.00 C ATOM 1050 CG2 VAL A 72 10.224 0.335 -1.627 1.00 0.00 C ATOM 0 H VAL A 72 11.996 -2.367 -0.141 1.00 0.00 H new ATOM 0 HA VAL A 72 13.798 -0.522 -1.559 1.00 0.00 H new ATOM 0 HB VAL A 72 12.151 1.178 -2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.007 0.306 -4.167 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.734 -0.096 -4.017 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.499 -1.328 -3.663 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.637 0.858 -2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.794 -0.651 -1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.212 0.906 -0.699 1.00 0.00 H new ATOM 1060 N THR A 73 13.371 1.371 0.442 1.00 0.00 N ATOM 1061 CA THR A 73 13.189 2.378 1.624 1.00 0.00 C ATOM 1062 C THR A 73 11.714 3.060 1.620 1.00 0.00 C ATOM 1063 O THR A 73 10.995 2.992 0.586 1.00 0.00 O ATOM 1064 CB THR A 73 14.334 3.531 1.677 1.00 0.00 C ATOM 1065 OG1 THR A 73 14.712 4.045 0.384 1.00 0.00 O ATOM 1066 CG2 THR A 73 15.560 3.128 2.485 1.00 0.00 C ATOM 0 H THR A 73 13.942 1.755 -0.311 1.00 0.00 H new ATOM 0 HA THR A 73 13.297 1.776 2.526 1.00 0.00 H new ATOM 0 HB THR A 73 13.851 4.352 2.207 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.401 4.733 0.494 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.284 3.943 2.479 1.00 0.00 H new ATOM 0 HG22 THR A 73 15.264 2.913 3.512 1.00 0.00 H new ATOM 0 HG23 THR A 73 16.011 2.239 2.043 1.00 0.00 H new ATOM 1074 N HIS A 74 11.278 3.678 2.837 1.00 0.00 N ATOM 1075 CA HIS A 74 9.962 4.515 3.110 1.00 0.00 C ATOM 1076 C HIS A 74 9.676 5.642 1.926 1.00 0.00 C ATOM 1077 O HIS A 74 8.670 5.485 1.098 1.00 0.00 O ATOM 1078 CB HIS A 74 10.129 5.124 4.620 1.00 0.00 C ATOM 1079 CG HIS A 74 8.923 5.815 5.356 1.00 0.00 C ATOM 1080 ND1 HIS A 74 8.852 7.189 5.556 1.00 0.00 N ATOM 1081 CD2 HIS A 74 7.840 5.296 6.021 1.00 0.00 C ATOM 1082 CE1 HIS A 74 7.790 7.483 6.311 1.00 0.00 C ATOM 1083 NE2 HIS A 74 7.164 6.353 6.600 1.00 0.00 N ATOM 0 H HIS A 74 11.847 3.607 3.681 1.00 0.00 H new ATOM 0 HA HIS A 74 9.064 3.898 3.067 1.00 0.00 H new ATOM 0 HB2 HIS A 74 10.465 4.307 5.258 1.00 0.00 H new ATOM 0 HB3 HIS A 74 10.939 5.853 4.582 1.00 0.00 H new ATOM 0 HD2 HIS A 74 7.566 4.253 6.081 1.00 0.00 H new ATOM 0 HE1 HIS A 74 7.494 8.471 6.630 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.316 6.275 7.162 1.00 0.00 H new ATOM 1092 N SER A 75 10.760 6.588 1.708 1.00 0.00 N ATOM 1093 CA SER A 75 10.828 7.707 0.635 1.00 0.00 C ATOM 1094 C SER A 75 10.704 7.181 -0.884 1.00 0.00 C ATOM 1095 O SER A 75 9.975 7.781 -1.678 1.00 0.00 O ATOM 1096 CB SER A 75 12.103 8.637 0.851 1.00 0.00 C ATOM 1097 OG SER A 75 13.352 7.914 0.885 1.00 0.00 O ATOM 0 H SER A 75 11.598 6.570 2.289 1.00 0.00 H new ATOM 0 HA SER A 75 9.936 8.315 0.786 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.143 9.375 0.050 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.986 9.186 1.785 1.00 0.00 H new ATOM 0 HG SER A 75 14.091 8.544 1.018 1.00 0.00 H new ATOM 1103 N ALA A 76 11.309 5.894 -1.137 1.00 0.00 N ATOM 1104 CA ALA A 76 11.335 5.087 -2.433 1.00 0.00 C ATOM 1105 C ALA A 76 9.913 4.415 -2.833 1.00 0.00 C ATOM 1106 O ALA A 76 9.665 4.163 -4.057 1.00 0.00 O ATOM 1107 CB ALA A 76 12.458 4.036 -2.326 1.00 0.00 C ATOM 0 H ALA A 76 11.802 5.403 -0.391 1.00 0.00 H new ATOM 0 HA ALA A 76 11.536 5.778 -3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.494 3.447 -3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.414 4.539 -2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.261 3.378 -1.480 1.00 0.00 H new ATOM 1113 N ALA A 77 8.961 4.178 -1.742 1.00 0.00 N ATOM 1114 CA ALA A 77 7.514 3.701 -1.899 1.00 0.00 C ATOM 1115 C ALA A 77 6.463 4.905 -2.033 1.00 0.00 C ATOM 1116 O ALA A 77 5.417 4.748 -2.725 1.00 0.00 O ATOM 1117 CB ALA A 77 7.146 2.701 -0.791 1.00 0.00 C ATOM 0 H ALA A 77 9.218 4.324 -0.766 1.00 0.00 H new ATOM 0 HA ALA A 77 7.450 3.172 -2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.114 2.376 -0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.808 1.837 -0.846 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.254 3.180 0.182 1.00 0.00 H new ATOM 1123 N VAL A 78 6.815 6.146 -1.371 1.00 0.00 N ATOM 1124 CA VAL A 78 6.046 7.539 -1.470 1.00 0.00 C ATOM 1125 C VAL A 78 6.295 8.255 -2.935 1.00 0.00 C ATOM 1126 O VAL A 78 5.346 8.788 -3.502 1.00 0.00 O ATOM 1127 CB VAL A 78 6.408 8.542 -0.144 1.00 0.00 C ATOM 1128 CG1 VAL A 78 5.731 9.955 -0.118 1.00 0.00 C ATOM 1129 CG2 VAL A 78 5.993 7.893 1.164 1.00 0.00 C ATOM 0 H VAL A 78 7.631 6.206 -0.761 1.00 0.00 H new ATOM 0 HA VAL A 78 4.974 7.349 -1.411 1.00 0.00 H new ATOM 0 HB VAL A 78 7.483 8.677 -0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.044 10.492 0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.030 10.518 -1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.647 9.839 -0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.237 8.557 1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.919 7.706 1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.525 6.949 1.287 1.00 0.00 H new ATOM 1139 N GLU A 79 7.605 8.173 -3.484 1.00 0.00 N ATOM 1140 CA GLU A 79 8.128 8.717 -4.891 1.00 0.00 C ATOM 1141 C GLU A 79 7.541 7.972 -6.179 1.00 0.00 C ATOM 1142 O GLU A 79 7.638 8.485 -7.318 1.00 0.00 O ATOM 1143 CB GLU A 79 9.709 8.749 -4.943 1.00 0.00 C ATOM 1144 CG GLU A 79 10.424 9.877 -4.095 1.00 0.00 C ATOM 1145 CD GLU A 79 10.528 11.313 -4.722 1.00 0.00 C ATOM 1146 OE1 GLU A 79 9.575 12.117 -4.549 1.00 0.00 O ATOM 1147 OE2 GLU A 79 11.570 11.616 -5.353 1.00 0.00 O ATOM 0 H GLU A 79 8.356 7.720 -2.963 1.00 0.00 H new ATOM 0 HA GLU A 79 7.735 9.732 -4.947 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.080 7.782 -4.605 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.013 8.861 -5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.898 9.965 -3.144 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.435 9.536 -3.870 1.00 0.00 H new ATOM 1154 N ALA A 80 6.924 6.722 -5.933 1.00 0.00 N ATOM 1155 CA ALA A 80 6.018 5.955 -6.883 1.00 0.00 C ATOM 1156 C ALA A 80 4.520 6.585 -6.911 1.00 0.00 C ATOM 1157 O ALA A 80 3.854 6.567 -7.981 1.00 0.00 O ATOM 1158 CB ALA A 80 6.016 4.449 -6.498 1.00 0.00 C ATOM 0 H ALA A 80 7.057 6.229 -5.050 1.00 0.00 H new ATOM 0 HA ALA A 80 6.406 6.046 -7.898 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.366 3.900 -7.180 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.030 4.055 -6.567 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.651 4.335 -5.477 1.00 0.00 H new ATOM 1164 N LEU A 81 4.072 7.236 -5.684 1.00 0.00 N ATOM 1165 CA LEU A 81 2.702 7.875 -5.442 1.00 0.00 C ATOM 1166 C LEU A 81 2.584 9.435 -5.746 1.00 0.00 C ATOM 1167 O LEU A 81 1.503 9.903 -6.215 1.00 0.00 O ATOM 1168 CB LEU A 81 2.092 7.437 -3.999 1.00 0.00 C ATOM 1169 CG LEU A 81 2.201 5.900 -3.452 1.00 0.00 C ATOM 1170 CD1 LEU A 81 1.460 5.729 -2.197 1.00 0.00 C ATOM 1171 CD2 LEU A 81 1.801 4.777 -4.443 1.00 0.00 C ATOM 0 H LEU A 81 4.679 7.309 -4.868 1.00 0.00 H new ATOM 0 HA LEU A 81 2.060 7.455 -6.216 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.564 8.073 -3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.033 7.693 -4.013 1.00 0.00 H new ATOM 0 HG LEU A 81 3.273 5.772 -3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.551 4.697 -1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.869 6.397 -1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.409 5.966 -2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.917 3.807 -3.960 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.762 4.910 -4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.442 4.823 -5.323 1.00 0.00 H new ATOM 1183 N LYS A 82 3.741 10.210 -5.480 1.00 0.00 N ATOM 1184 CA LYS A 82 3.940 11.719 -5.716 1.00 0.00 C ATOM 1185 C LYS A 82 4.451 12.092 -7.184 1.00 0.00 C ATOM 1186 O LYS A 82 3.990 13.131 -7.748 1.00 0.00 O ATOM 1187 CB LYS A 82 4.876 12.377 -4.599 1.00 0.00 C ATOM 1188 CG LYS A 82 4.208 12.696 -3.223 1.00 0.00 C ATOM 1189 CD LYS A 82 5.190 13.391 -2.270 1.00 0.00 C ATOM 1190 CE LYS A 82 4.524 13.809 -0.956 1.00 0.00 C ATOM 1191 NZ LYS A 82 5.483 14.482 -0.037 1.00 0.00 N ATOM 0 H LYS A 82 4.577 9.780 -5.085 1.00 0.00 H new ATOM 0 HA LYS A 82 2.942 12.150 -5.630 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.717 11.707 -4.422 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.286 13.303 -5.001 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.338 13.333 -3.379 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.850 11.772 -2.768 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.022 12.720 -2.056 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.607 14.271 -2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.692 14.481 -1.168 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.107 12.930 -0.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.993 14.749 0.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.264 13.832 0.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.862 15.335 -0.495 1.00 0.00 H new ATOM 1205 N GLU A 83 5.386 11.186 -7.803 1.00 0.00 N ATOM 1206 CA GLU A 83 6.044 11.399 -9.233 1.00 0.00 C ATOM 1207 C GLU A 83 5.267 10.926 -10.511 1.00 0.00 C ATOM 1208 O GLU A 83 5.508 11.517 -11.637 1.00 0.00 O ATOM 1209 CB GLU A 83 7.520 10.959 -9.312 1.00 0.00 C ATOM 1210 CG GLU A 83 8.450 11.907 -8.590 1.00 0.00 C ATOM 1211 CD GLU A 83 9.970 11.684 -8.844 1.00 0.00 C ATOM 1212 OE1 GLU A 83 10.593 10.841 -8.140 1.00 0.00 O ATOM 1213 OE2 GLU A 83 10.536 12.372 -9.737 1.00 0.00 O ATOM 0 H GLU A 83 5.693 10.326 -7.349 1.00 0.00 H new ATOM 0 HA GLU A 83 5.972 12.485 -9.285 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.621 9.961 -8.885 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.819 10.889 -10.358 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.197 12.927 -8.881 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.263 11.825 -7.519 1.00 0.00 H new ATOM 1220 N ALA A 84 4.259 9.908 -10.357 1.00 0.00 N ATOM 1221 CA ALA A 84 3.370 9.347 -11.541 1.00 0.00 C ATOM 1222 C ALA A 84 2.443 10.460 -12.308 1.00 0.00 C ATOM 1223 O ALA A 84 2.047 10.267 -13.506 1.00 0.00 O ATOM 1224 CB ALA A 84 2.596 8.112 -11.095 1.00 0.00 C ATOM 0 H ALA A 84 4.049 9.475 -9.458 1.00 0.00 H new ATOM 0 HA ALA A 84 4.068 9.043 -12.321 1.00 0.00 H new ATOM 0 HB1 ALA A 84 1.992 7.743 -11.923 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.296 7.337 -10.783 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.946 8.372 -10.259 1.00 0.00 H new ATOM 1230 N GLY A 85 2.174 11.628 -11.533 1.00 0.00 N ATOM 1231 CA GLY A 85 1.651 12.944 -12.032 1.00 0.00 C ATOM 1232 C GLY A 85 0.178 13.294 -11.887 1.00 0.00 C ATOM 1233 O GLY A 85 -0.138 14.485 -11.645 1.00 0.00 O ATOM 0 H GLY A 85 2.331 11.640 -10.525 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.219 13.727 -11.530 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.893 13.005 -13.093 1.00 0.00 H new ATOM 1237 N SER A 86 -0.744 12.225 -12.016 1.00 0.00 N ATOM 1238 CA SER A 86 -2.296 12.301 -12.062 1.00 0.00 C ATOM 1239 C SER A 86 -2.948 10.862 -11.885 1.00 0.00 C ATOM 1240 O SER A 86 -4.081 10.779 -11.363 1.00 0.00 O ATOM 1241 CB SER A 86 -2.798 12.986 -13.442 1.00 0.00 C ATOM 1242 OG SER A 86 -4.202 13.305 -13.475 1.00 0.00 O ATOM 0 H SER A 86 -0.417 11.262 -12.093 1.00 0.00 H new ATOM 0 HA SER A 86 -2.622 12.924 -11.229 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.227 13.899 -13.608 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.572 12.314 -14.270 1.00 0.00 H new ATOM 0 HG SER A 86 -4.424 13.715 -14.337 1.00 0.00 H new ATOM 1248 N ILE A 87 -2.198 9.734 -12.370 1.00 0.00 N ATOM 1249 CA ILE A 87 -2.668 8.274 -12.336 1.00 0.00 C ATOM 1250 C ILE A 87 -1.589 7.381 -11.605 1.00 0.00 C ATOM 1251 O ILE A 87 -0.420 7.277 -12.056 1.00 0.00 O ATOM 1252 CB ILE A 87 -3.143 7.645 -13.877 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -4.182 8.605 -14.752 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -3.626 6.105 -13.885 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -5.612 9.028 -14.179 1.00 0.00 C ATOM 0 H ILE A 87 -1.271 9.838 -12.783 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.590 8.244 -11.756 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.189 7.665 -14.405 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.646 9.527 -14.978 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -4.358 8.098 -15.701 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.900 5.815 -14.899 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.815 5.468 -13.532 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.489 5.991 -13.229 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.126 9.653 -14.909 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.205 8.134 -13.985 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.482 9.586 -13.251 1.00 0.00 H new ATOM 1267 N VAL A 88 -2.106 6.704 -10.515 1.00 0.00 N ATOM 1268 CA VAL A 88 -1.373 5.696 -9.615 1.00 0.00 C ATOM 1269 C VAL A 88 -2.131 4.289 -9.542 1.00 0.00 C ATOM 1270 O VAL A 88 -3.301 4.224 -9.069 1.00 0.00 O ATOM 1271 CB VAL A 88 -0.817 6.254 -8.127 1.00 0.00 C ATOM 1272 CG1 VAL A 88 0.313 7.288 -8.257 1.00 0.00 C ATOM 1273 CG2 VAL A 88 -1.887 6.806 -7.103 1.00 0.00 C ATOM 0 H VAL A 88 -3.073 6.841 -10.220 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.431 5.532 -10.138 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.450 5.323 -7.695 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.628 7.609 -7.264 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.158 6.839 -8.779 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.045 8.150 -8.820 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.385 7.129 -6.191 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.413 7.651 -7.547 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.602 6.019 -6.864 1.00 0.00 H new ATOM 1283 N ARG A 89 -1.403 3.187 -10.031 1.00 0.00 N ATOM 1284 CA ARG A 89 -1.937 1.727 -10.175 1.00 0.00 C ATOM 1285 C ARG A 89 -1.297 0.670 -9.160 1.00 0.00 C ATOM 1286 O ARG A 89 -0.196 0.127 -9.392 1.00 0.00 O ATOM 1287 CB ARG A 89 -2.109 1.209 -11.741 1.00 0.00 C ATOM 1288 CG ARG A 89 -0.907 1.268 -12.716 1.00 0.00 C ATOM 1289 CD ARG A 89 -1.385 0.793 -14.055 1.00 0.00 C ATOM 1290 NE ARG A 89 -0.313 0.864 -15.135 1.00 0.00 N ATOM 1291 CZ ARG A 89 -0.410 0.604 -16.531 1.00 0.00 C ATOM 1292 NH1 ARG A 89 -1.561 0.212 -17.167 1.00 0.00 N ATOM 1293 NH2 ARG A 89 0.683 0.751 -17.270 1.00 0.00 N ATOM 0 H ARG A 89 -0.434 3.277 -10.337 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.967 1.789 -9.824 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.445 0.173 -11.704 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.916 1.790 -12.187 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.521 2.285 -12.786 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.091 0.641 -12.356 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.733 -0.236 -13.965 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.241 1.394 -14.362 1.00 0.00 H new ATOM 0 HE ARG A 89 0.613 1.139 -14.809 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.422 0.089 -16.634 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.556 0.043 -18.173 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.558 1.042 -16.834 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.648 0.573 -18.274 1.00 0.00 H new ATOM 1307 N LEU A 90 -2.104 0.379 -8.049 1.00 0.00 N ATOM 1308 CA LEU A 90 -1.753 -0.474 -6.825 1.00 0.00 C ATOM 1309 C LEU A 90 -2.248 -1.983 -6.891 1.00 0.00 C ATOM 1310 O LEU A 90 -3.393 -2.271 -7.354 1.00 0.00 O ATOM 1311 CB LEU A 90 -2.168 0.304 -5.414 1.00 0.00 C ATOM 1312 CG LEU A 90 -3.643 0.789 -5.092 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -4.484 -0.310 -4.438 1.00 0.00 C ATOM 1314 CD2 LEU A 90 -3.576 2.012 -4.213 1.00 0.00 C ATOM 0 H LEU A 90 -3.052 0.749 -7.984 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.668 -0.577 -6.836 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.876 -0.359 -4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.532 1.187 -5.350 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.138 1.036 -6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.486 0.070 -4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.549 -1.167 -5.109 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.017 -0.617 -3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.586 2.353 -3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.059 1.766 -3.285 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.034 2.803 -4.731 1.00 0.00 H new ATOM 1326 N TYR A 91 -1.313 -2.916 -6.398 1.00 0.00 N ATOM 1327 CA TYR A 91 -1.491 -4.408 -6.288 1.00 0.00 C ATOM 1328 C TYR A 91 -1.363 -4.886 -4.795 1.00 0.00 C ATOM 1329 O TYR A 91 -0.202 -4.846 -4.159 1.00 0.00 O ATOM 1330 CB TYR A 91 -0.490 -5.207 -7.305 1.00 0.00 C ATOM 1331 CG TYR A 91 -0.803 -6.726 -7.689 1.00 0.00 C ATOM 1332 CD1 TYR A 91 -2.058 -7.152 -8.181 1.00 0.00 C ATOM 1333 CD2 TYR A 91 0.170 -7.683 -7.531 1.00 0.00 C ATOM 1334 CE1 TYR A 91 -2.309 -8.444 -8.484 1.00 0.00 C ATOM 1335 CE2 TYR A 91 -0.062 -9.003 -7.842 1.00 0.00 C ATOM 1336 CZ TYR A 91 -1.307 -9.389 -8.318 1.00 0.00 C ATOM 1337 OH TYR A 91 -1.541 -10.706 -8.641 1.00 0.00 O ATOM 0 H TYR A 91 -0.397 -2.618 -6.063 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.504 -4.655 -6.606 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -0.447 -4.638 -8.234 1.00 0.00 H new ATOM 0 HB3 TYR A 91 0.508 -5.180 -6.868 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -2.841 -6.421 -8.319 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.139 -7.392 -7.154 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.281 -8.739 -8.852 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.721 -9.736 -7.716 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.734 -11.234 -8.466 1.00 0.00 H new ATOM 1347 N VAL A 92 -2.592 -5.372 -4.295 1.00 0.00 N ATOM 1348 CA VAL A 92 -2.875 -5.868 -2.842 1.00 0.00 C ATOM 1349 C VAL A 92 -3.031 -7.510 -2.683 1.00 0.00 C ATOM 1350 O VAL A 92 -3.426 -8.226 -3.666 1.00 0.00 O ATOM 1351 CB VAL A 92 -4.144 -5.035 -2.091 1.00 0.00 C ATOM 1352 CG1 VAL A 92 -3.914 -3.515 -1.969 1.00 0.00 C ATOM 1353 CG2 VAL A 92 -5.560 -5.326 -2.698 1.00 0.00 C ATOM 0 H VAL A 92 -3.420 -5.432 -4.888 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.962 -5.618 -2.302 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.138 -5.449 -1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.772 -3.056 -1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.016 -3.329 -1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.792 -3.085 -2.963 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.313 -4.752 -2.158 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.571 -5.039 -3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.782 -6.389 -2.609 1.00 0.00 H new ATOM 1363 N MET A 93 -2.795 -7.990 -1.364 1.00 0.00 N ATOM 1364 CA MET A 93 -2.770 -9.472 -0.867 1.00 0.00 C ATOM 1365 C MET A 93 -3.717 -9.755 0.409 1.00 0.00 C ATOM 1366 O MET A 93 -3.474 -9.191 1.525 1.00 0.00 O ATOM 1367 CB MET A 93 -1.238 -10.096 -0.699 1.00 0.00 C ATOM 1368 CG MET A 93 -0.195 -9.390 0.271 1.00 0.00 C ATOM 1369 SD MET A 93 1.398 -10.236 0.310 1.00 0.00 S ATOM 1370 CE MET A 93 2.299 -9.208 1.470 1.00 0.00 C ATOM 0 H MET A 93 -2.613 -7.340 -0.600 1.00 0.00 H new ATOM 0 HA MET A 93 -3.223 -10.037 -1.682 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.343 -11.129 -0.366 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.789 -10.125 -1.692 1.00 0.00 H new ATOM 0 HG2 MET A 93 -0.047 -8.359 -0.049 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.608 -9.354 1.279 1.00 0.00 H new ATOM 0 HE1 MET A 93 3.306 -9.603 1.600 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.356 -8.190 1.086 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.783 -9.205 2.430 1.00 0.00 H new ATOM 1380 N ARG A 94 -4.801 -10.653 0.196 1.00 0.00 N ATOM 1381 CA ARG A 94 -5.849 -11.099 1.253 1.00 0.00 C ATOM 1382 C ARG A 94 -6.184 -12.658 1.189 1.00 0.00 C ATOM 1383 O ARG A 94 -6.243 -13.244 0.096 1.00 0.00 O ATOM 1384 CB ARG A 94 -7.197 -10.119 1.374 1.00 0.00 C ATOM 1385 CG ARG A 94 -8.116 -9.858 0.120 1.00 0.00 C ATOM 1386 CD ARG A 94 -9.304 -8.976 0.508 1.00 0.00 C ATOM 1387 NE ARG A 94 -10.288 -8.762 -0.632 1.00 0.00 N ATOM 1388 CZ ARG A 94 -11.535 -8.072 -0.635 1.00 0.00 C ATOM 1389 NH1 ARG A 94 -12.058 -7.413 0.452 1.00 0.00 N ATOM 1390 NH2 ARG A 94 -12.237 -8.056 -1.758 1.00 0.00 N ATOM 0 H ARG A 94 -4.966 -11.083 -0.714 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.345 -10.947 2.207 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.831 -10.540 2.154 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.856 -9.147 1.730 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.539 -9.376 -0.669 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -8.474 -10.806 -0.281 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.826 -9.431 1.350 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -8.934 -8.008 0.847 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.015 -9.172 -1.525 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.546 -7.397 1.334 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -12.958 -6.940 0.377 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.881 -8.529 -2.589 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -13.133 -7.571 -1.792 1.00 0.00 H new ATOM 1404 N ARG A 95 -6.413 -13.287 2.432 1.00 0.00 N ATOM 1405 CA ARG A 95 -6.781 -14.783 2.685 1.00 0.00 C ATOM 1406 C ARG A 95 -8.310 -15.157 2.405 1.00 0.00 C ATOM 1407 O ARG A 95 -9.241 -14.340 2.682 1.00 0.00 O ATOM 1408 CB ARG A 95 -6.280 -15.304 4.111 1.00 0.00 C ATOM 1409 CG ARG A 95 -4.787 -15.686 4.185 1.00 0.00 C ATOM 1410 CD ARG A 95 -4.414 -16.250 5.554 1.00 0.00 C ATOM 1411 NE ARG A 95 -2.943 -16.635 5.638 1.00 0.00 N ATOM 1412 CZ ARG A 95 -2.237 -17.325 6.663 1.00 0.00 C ATOM 1413 NH1 ARG A 95 -2.816 -17.809 7.810 1.00 0.00 N ATOM 1414 NH2 ARG A 95 -0.935 -17.523 6.497 1.00 0.00 N ATOM 0 H ARG A 95 -6.347 -12.763 3.305 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.223 -15.329 1.925 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.477 -14.530 4.852 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.875 -16.173 4.392 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -4.562 -16.423 3.414 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -4.176 -14.808 3.975 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -4.638 -15.511 6.323 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -5.029 -17.125 5.764 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.377 -16.355 4.837 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.816 -17.683 7.969 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.247 -18.295 8.503 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -0.471 -17.184 5.654 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -0.399 -18.014 7.212 1.00 0.00 H new ATOM 1428 N LYS A 96 -8.506 -16.445 1.837 1.00 0.00 N ATOM 1429 CA LYS A 96 -9.840 -17.090 1.322 1.00 0.00 C ATOM 1430 C LYS A 96 -10.988 -17.400 2.474 1.00 0.00 C ATOM 1431 O LYS A 96 -10.644 -18.091 3.489 1.00 0.00 O ATOM 1432 CB LYS A 96 -9.574 -18.395 0.435 1.00 0.00 C ATOM 1433 CG LYS A 96 -8.981 -18.183 -0.990 1.00 0.00 C ATOM 1434 CD LYS A 96 -8.663 -19.541 -1.693 1.00 0.00 C ATOM 1435 CE LYS A 96 -8.080 -19.402 -3.142 1.00 0.00 C ATOM 1436 NZ LYS A 96 -9.094 -19.010 -4.203 1.00 0.00 N ATOM 0 H LYS A 96 -7.719 -17.083 1.720 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.269 -16.305 0.699 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.897 -19.046 0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.518 -18.930 0.331 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.687 -17.616 -1.597 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.071 -17.588 -0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.952 -20.095 -1.080 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.576 -20.135 -1.738 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.284 -18.658 -3.128 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.625 -20.350 -3.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.621 -18.942 -5.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.843 -19.730 -4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.513 -18.090 -3.960 1.00 0.00 H new ATOM 1450 N PRO A 97 -12.418 -16.810 2.356 1.00 0.00 N ATOM 1451 CA PRO A 97 -13.580 -17.152 3.337 1.00 0.00 C ATOM 1452 C PRO A 97 -14.288 -18.664 3.154 1.00 0.00 C ATOM 1453 O PRO A 97 -14.231 -19.196 2.001 1.00 0.00 O ATOM 1454 CB PRO A 97 -14.634 -16.004 3.073 1.00 0.00 C ATOM 1455 CG PRO A 97 -13.935 -14.966 2.228 1.00 0.00 C ATOM 1456 CD PRO A 97 -12.942 -15.718 1.380 1.00 0.00 C ATOM 0 HA PRO A 97 -13.194 -17.203 4.355 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -15.513 -16.395 2.560 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -14.980 -15.571 4.012 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -14.648 -14.425 1.606 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.433 -14.228 2.853 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -13.411 -16.154 0.498 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -12.139 -15.071 1.027 1.00 0.00 H new ATOM 1464 N PRO A 98 -14.965 -19.406 4.335 1.00 0.00 N ATOM 1465 CA PRO A 98 -15.688 -20.792 4.199 1.00 0.00 C ATOM 1466 C PRO A 98 -17.074 -20.848 3.325 1.00 0.00 C ATOM 1467 O PRO A 98 -17.341 -21.897 2.667 1.00 0.00 O ATOM 1468 CB PRO A 98 -15.919 -21.237 5.699 1.00 0.00 C ATOM 1469 CG PRO A 98 -15.032 -20.352 6.535 1.00 0.00 C ATOM 1470 CD PRO A 98 -14.995 -19.014 5.835 1.00 0.00 C ATOM 0 HA PRO A 98 -15.063 -21.461 3.608 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -16.965 -21.122 5.984 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -15.665 -22.288 5.838 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -15.424 -20.252 7.547 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -14.031 -20.774 6.622 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -15.868 -18.408 6.076 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -14.116 -18.434 6.118 1.00 0.00 H new ATOM 1478 N ALA A 99 -17.903 -19.660 3.337 1.00 0.00 N ATOM 1479 CA ALA A 99 -19.229 -19.473 2.607 1.00 0.00 C ATOM 1480 C ALA A 99 -19.125 -18.463 1.387 1.00 0.00 C ATOM 1481 O ALA A 99 -19.236 -18.940 0.235 1.00 0.00 O ATOM 1482 CB ALA A 99 -20.398 -19.125 3.604 1.00 0.00 C ATOM 1483 OXT ALA A 99 -18.867 -17.226 1.596 1.00 0.00 O ATOM 0 H ALA A 99 -17.635 -18.829 3.865 1.00 0.00 H new ATOM 0 HA ALA A 99 -19.481 -20.434 2.159 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -21.326 -18.999 3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -20.514 -19.934 4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -20.163 -18.200 4.131 1.00 0.00 H new TER 1489 ALA A 99 ATOM 1490 N VAL B 1 5.147 1.500 17.056 1.00 0.00 N ATOM 1491 CA VAL B 1 5.722 0.503 18.068 1.00 0.00 C ATOM 1492 C VAL B 1 7.254 0.336 17.954 1.00 0.00 C ATOM 1493 O VAL B 1 7.759 -0.206 16.930 1.00 0.00 O ATOM 1494 CB VAL B 1 4.914 -0.945 18.266 1.00 0.00 C ATOM 1495 CG1 VAL B 1 3.606 -0.755 19.012 1.00 0.00 C ATOM 1496 CG2 VAL B 1 4.655 -1.789 16.939 1.00 0.00 C ATOM 0 H1 VAL B 1 4.117 1.568 17.183 1.00 0.00 H new ATOM 0 H2 VAL B 1 5.577 2.435 17.207 1.00 0.00 H new ATOM 0 H3 VAL B 1 5.356 1.175 16.091 1.00 0.00 H new ATOM 0 HA VAL B 1 5.518 1.003 19.015 1.00 0.00 H new ATOM 0 HB VAL B 1 5.609 -1.540 18.857 1.00 0.00 H new ATOM 0 HG11 VAL B 1 3.107 -1.718 19.123 1.00 0.00 H new ATOM 0 HG12 VAL B 1 3.807 -0.335 19.998 1.00 0.00 H new ATOM 0 HG13 VAL B 1 2.963 -0.076 18.452 1.00 0.00 H new ATOM 0 HG21 VAL B 1 4.124 -2.707 17.190 1.00 0.00 H new ATOM 0 HG22 VAL B 1 4.055 -1.201 16.245 1.00 0.00 H new ATOM 0 HG23 VAL B 1 5.609 -2.037 16.473 1.00 0.00 H new ATOM 1508 N VAL B 2 8.011 0.840 19.056 1.00 0.00 N ATOM 1509 CA VAL B 2 9.602 0.852 19.245 1.00 0.00 C ATOM 1510 C VAL B 2 10.477 1.729 18.196 1.00 0.00 C ATOM 1511 O VAL B 2 11.469 2.390 18.594 1.00 0.00 O ATOM 1512 CB VAL B 2 10.358 -0.587 19.716 1.00 0.00 C ATOM 1513 CG1 VAL B 2 9.993 -0.985 21.151 1.00 0.00 C ATOM 1514 CG2 VAL B 2 10.149 -1.841 18.764 1.00 0.00 C ATOM 0 H VAL B 2 7.541 1.259 19.858 1.00 0.00 H new ATOM 0 HA VAL B 2 9.616 1.448 20.157 1.00 0.00 H new ATOM 0 HB VAL B 2 11.415 -0.330 19.641 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.500 -1.914 21.411 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.304 -0.197 21.837 1.00 0.00 H new ATOM 0 HG13 VAL B 2 8.915 -1.127 21.226 1.00 0.00 H new ATOM 0 HG21 VAL B 2 10.681 -2.700 19.172 1.00 0.00 H new ATOM 0 HG22 VAL B 2 9.086 -2.072 18.695 1.00 0.00 H new ATOM 0 HG23 VAL B 2 10.536 -1.613 17.771 1.00 0.00 H new ATOM 1524 N SER B 3 10.002 1.712 16.843 1.00 0.00 N ATOM 1525 CA SER B 3 10.575 2.345 15.555 1.00 0.00 C ATOM 1526 C SER B 3 9.450 2.274 14.493 1.00 0.00 C ATOM 1527 O SER B 3 9.072 1.158 14.053 1.00 0.00 O ATOM 1528 CB SER B 3 11.968 1.706 15.023 1.00 0.00 C ATOM 1529 OG SER B 3 13.043 1.925 15.928 1.00 0.00 O ATOM 0 H SER B 3 9.140 1.211 16.628 1.00 0.00 H new ATOM 0 HA SER B 3 10.864 3.373 15.773 1.00 0.00 H new ATOM 0 HB2 SER B 3 11.838 0.635 14.869 1.00 0.00 H new ATOM 0 HB3 SER B 3 12.217 2.139 14.054 1.00 0.00 H new ATOM 0 HG SER B 3 12.686 2.121 16.819 1.00 0.00 H new ATOM 1535 N GLU B 4 8.786 3.516 14.188 1.00 0.00 N ATOM 1536 CA GLU B 4 7.562 3.648 13.261 1.00 0.00 C ATOM 1537 C GLU B 4 7.716 4.817 12.166 1.00 0.00 C ATOM 1538 O GLU B 4 7.972 4.502 10.984 1.00 0.00 O ATOM 1539 CB GLU B 4 6.156 3.699 14.154 1.00 0.00 C ATOM 1540 CG GLU B 4 4.789 3.472 13.447 1.00 0.00 C ATOM 1541 CD GLU B 4 3.554 3.531 14.393 1.00 0.00 C ATOM 1542 OE1 GLU B 4 3.065 4.655 14.702 1.00 0.00 O ATOM 1543 OE2 GLU B 4 3.070 2.449 14.812 1.00 0.00 O ATOM 0 H GLU B 4 9.091 4.409 14.575 1.00 0.00 H new ATOM 0 HA GLU B 4 7.500 2.748 12.649 1.00 0.00 H new ATOM 0 HB2 GLU B 4 6.243 2.952 14.943 1.00 0.00 H new ATOM 0 HB3 GLU B 4 6.114 4.673 14.641 1.00 0.00 H new ATOM 0 HG2 GLU B 4 4.669 4.223 12.667 1.00 0.00 H new ATOM 0 HG3 GLU B 4 4.807 2.500 12.954 1.00 0.00 H new ATOM 1550 N ARG B 5 7.555 6.200 12.621 1.00 0.00 N ATOM 1551 CA ARG B 5 7.382 7.527 11.768 1.00 0.00 C ATOM 1552 C ARG B 5 5.918 7.695 11.147 1.00 0.00 C ATOM 1553 O ARG B 5 5.248 8.709 11.439 1.00 0.00 O ATOM 1554 CB ARG B 5 8.571 7.924 10.720 1.00 0.00 C ATOM 1555 CG ARG B 5 9.922 8.317 11.349 1.00 0.00 C ATOM 1556 CD ARG B 5 10.954 8.676 10.279 1.00 0.00 C ATOM 1557 NE ARG B 5 12.297 9.064 10.881 1.00 0.00 N ATOM 1558 CZ ARG B 5 13.508 9.446 10.239 1.00 0.00 C ATOM 1559 NH1 ARG B 5 13.668 9.531 8.878 1.00 0.00 N ATOM 1560 NH2 ARG B 5 14.552 9.739 11.003 1.00 0.00 N ATOM 0 H ARG B 5 7.544 6.409 13.619 1.00 0.00 H new ATOM 0 HA ARG B 5 7.505 8.290 12.537 1.00 0.00 H new ATOM 0 HB2 ARG B 5 8.736 7.079 10.051 1.00 0.00 H new ATOM 0 HB3 ARG B 5 8.224 8.754 10.105 1.00 0.00 H new ATOM 0 HG2 ARG B 5 9.780 9.165 12.018 1.00 0.00 H new ATOM 0 HG3 ARG B 5 10.296 7.492 11.955 1.00 0.00 H new ATOM 0 HD2 ARG B 5 11.090 7.827 9.609 1.00 0.00 H new ATOM 0 HD3 ARG B 5 10.577 9.501 9.675 1.00 0.00 H new ATOM 0 HE ARG B 5 12.335 9.048 11.900 1.00 0.00 H new ATOM 0 HH11 ARG B 5 12.888 9.313 8.258 1.00 0.00 H new ATOM 0 HH12 ARG B 5 14.567 9.812 8.487 1.00 0.00 H new ATOM 0 HH21 ARG B 5 14.472 9.687 12.018 1.00 0.00 H new ATOM 0 HH22 ARG B 5 15.435 10.016 10.575 1.00 0.00 H new ATOM 1574 N ILE B 6 5.430 6.605 10.306 1.00 0.00 N ATOM 1575 CA ILE B 6 4.037 6.408 9.579 1.00 0.00 C ATOM 1576 C ILE B 6 3.542 7.513 8.529 1.00 0.00 C ATOM 1577 O ILE B 6 3.125 7.112 7.429 1.00 0.00 O ATOM 1578 CB ILE B 6 2.792 5.580 10.483 1.00 0.00 C ATOM 1579 CG1 ILE B 6 1.385 5.125 9.722 1.00 0.00 C ATOM 1580 CG2 ILE B 6 2.370 6.320 11.777 1.00 0.00 C ATOM 1581 CD1 ILE B 6 1.434 4.267 8.447 1.00 0.00 C ATOM 0 H ILE B 6 6.039 5.809 10.118 1.00 0.00 H new ATOM 0 HA ILE B 6 4.353 5.650 8.862 1.00 0.00 H new ATOM 0 HB ILE B 6 3.343 4.659 10.673 1.00 0.00 H new ATOM 0 HG12 ILE B 6 0.784 4.583 10.452 1.00 0.00 H new ATOM 0 HG13 ILE B 6 0.842 6.037 9.476 1.00 0.00 H new ATOM 0 HG21 ILE B 6 1.594 5.748 12.286 1.00 0.00 H new ATOM 0 HG22 ILE B 6 3.233 6.426 12.434 1.00 0.00 H new ATOM 0 HG23 ILE B 6 1.985 7.307 11.522 1.00 0.00 H new ATOM 0 HD11 ILE B 6 0.419 4.074 8.099 1.00 0.00 H new ATOM 0 HD12 ILE B 6 1.988 4.797 7.673 1.00 0.00 H new ATOM 0 HD13 ILE B 6 1.929 3.321 8.664 1.00 0.00 H new ATOM 1593 N SER B 7 3.612 8.885 8.919 1.00 0.00 N ATOM 1594 CA SER B 7 3.114 10.156 8.105 1.00 0.00 C ATOM 1595 C SER B 7 3.609 10.250 6.561 1.00 0.00 C ATOM 1596 O SER B 7 4.685 10.843 6.197 1.00 0.00 O ATOM 1597 CB SER B 7 3.303 11.494 8.925 1.00 0.00 C ATOM 1598 OG SER B 7 2.505 11.513 10.104 1.00 0.00 O ATOM 0 H SER B 7 4.019 9.152 9.816 1.00 0.00 H new ATOM 0 HA SER B 7 2.041 10.004 7.988 1.00 0.00 H new ATOM 0 HB2 SER B 7 4.353 11.608 9.196 1.00 0.00 H new ATOM 0 HB3 SER B 7 3.041 12.345 8.296 1.00 0.00 H new ATOM 0 HG SER B 7 2.651 12.355 10.584 1.00 0.00 H new ATOM 1604 N SER B 8 2.777 9.476 5.711 1.00 0.00 N ATOM 1605 CA SER B 8 2.958 9.149 4.225 1.00 0.00 C ATOM 1606 C SER B 8 1.589 9.419 3.385 1.00 0.00 C ATOM 1607 O SER B 8 0.686 10.166 3.879 1.00 0.00 O ATOM 1608 CB SER B 8 3.502 7.620 4.073 1.00 0.00 C ATOM 1609 OG SER B 8 4.777 7.443 4.666 1.00 0.00 O ATOM 0 H SER B 8 1.925 9.050 6.077 1.00 0.00 H new ATOM 0 HA SER B 8 3.704 9.816 3.794 1.00 0.00 H new ATOM 0 HB2 SER B 8 2.790 6.936 4.535 1.00 0.00 H new ATOM 0 HB3 SER B 8 3.556 7.359 3.016 1.00 0.00 H new ATOM 0 HG SER B 8 4.875 6.513 4.959 1.00 0.00 H new ATOM 1615 N VAL B 9 1.486 8.819 2.085 1.00 0.00 N ATOM 1616 CA VAL B 9 0.333 8.973 1.080 1.00 0.00 C ATOM 1617 C VAL B 9 -0.445 7.575 0.944 1.00 0.00 C ATOM 1618 O VAL B 9 -1.668 7.603 1.039 1.00 0.00 O ATOM 1619 CB VAL B 9 0.802 9.631 -0.441 1.00 0.00 C ATOM 1620 CG1 VAL B 9 -0.372 10.167 -1.285 1.00 0.00 C ATOM 1621 CG2 VAL B 9 1.833 10.797 -0.359 1.00 0.00 C ATOM 1622 OXT VAL B 9 0.192 6.536 0.770 1.00 0.00 O ATOM 0 H VAL B 9 2.223 8.212 1.725 1.00 0.00 H new ATOM 0 HA VAL B 9 -0.351 9.722 1.479 1.00 0.00 H new ATOM 0 HB VAL B 9 1.256 8.761 -0.915 1.00 0.00 H new ATOM 0 HG11 VAL B 9 0.008 10.564 -2.226 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -1.073 9.358 -1.489 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -0.882 10.959 -0.737 1.00 0.00 H new ATOM 0 HG21 VAL B 9 2.068 11.146 -1.364 1.00 0.00 H new ATOM 0 HG22 VAL B 9 1.409 11.617 0.220 1.00 0.00 H new ATOM 0 HG23 VAL B 9 2.744 10.444 0.124 1.00 0.00 H new TER 1632 VAL B 9