USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 617 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0.0375 X(o=0.037,f=0) USER MOD Single : A 51 THR OG1 : rot -140:sc= -0.314 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.081 -29.653 0.707 1.00 0.00 N ATOM 2 CA MET A 1 15.629 -29.467 0.935 1.00 0.00 C ATOM 3 C MET A 1 14.992 -28.799 -0.320 1.00 0.00 C ATOM 4 O MET A 1 14.967 -27.570 -0.438 1.00 0.00 O ATOM 5 CB MET A 1 15.442 -28.677 2.259 1.00 0.00 C ATOM 6 CG MET A 1 13.994 -28.600 2.772 1.00 0.00 C ATOM 7 SD MET A 1 13.954 -27.562 4.247 1.00 0.00 S ATOM 8 CE MET A 1 12.182 -27.527 4.575 1.00 0.00 C ATOM 0 H1 MET A 1 17.509 -30.099 1.543 1.00 0.00 H new ATOM 0 H2 MET A 1 17.227 -30.262 -0.123 1.00 0.00 H new ATOM 0 H3 MET A 1 17.528 -28.729 0.541 1.00 0.00 H new ATOM 0 HA MET A 1 15.103 -30.414 1.060 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.060 -29.138 3.030 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.815 -27.663 2.115 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.342 -28.187 2.002 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.622 -29.598 3.003 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.988 -26.922 5.461 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.662 -27.095 3.720 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.823 -28.542 4.743 1.00 0.00 H new ATOM 19 N GLU A 2 14.481 -29.621 -1.257 1.00 0.00 N ATOM 20 CA GLU A 2 13.879 -29.129 -2.530 1.00 0.00 C ATOM 21 C GLU A 2 12.327 -29.080 -2.415 1.00 0.00 C ATOM 22 O GLU A 2 11.777 -27.989 -2.253 1.00 0.00 O ATOM 23 CB GLU A 2 14.409 -29.939 -3.748 1.00 0.00 C ATOM 24 CG GLU A 2 15.896 -29.693 -4.096 1.00 0.00 C ATOM 25 CD GLU A 2 16.356 -30.467 -5.331 1.00 0.00 C ATOM 26 OE1 GLU A 2 16.331 -30.007 -6.471 1.00 0.00 O ATOM 27 OE2 GLU A 2 16.795 -31.724 -5.023 1.00 0.00 O ATOM 0 H GLU A 2 14.469 -30.637 -1.163 1.00 0.00 H new ATOM 0 HA GLU A 2 14.196 -28.102 -2.711 1.00 0.00 H new ATOM 0 HB2 GLU A 2 14.269 -31.001 -3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 2 13.802 -29.696 -4.620 1.00 0.00 H new ATOM 0 HG2 GLU A 2 16.053 -28.627 -4.263 1.00 0.00 H new ATOM 0 HG3 GLU A 2 16.515 -29.977 -3.245 1.00 0.00 H new ATOM 35 N ASN A 3 11.620 -30.228 -2.469 1.00 0.00 N ATOM 36 CA ASN A 3 10.126 -30.273 -2.502 1.00 0.00 C ATOM 37 C ASN A 3 9.344 -29.702 -1.278 1.00 0.00 C ATOM 38 O ASN A 3 8.262 -29.134 -1.445 1.00 0.00 O ATOM 39 CB ASN A 3 9.653 -31.712 -2.849 1.00 0.00 C ATOM 40 CG ASN A 3 10.048 -32.228 -4.244 1.00 0.00 C ATOM 41 OD1 ASN A 3 11.127 -32.781 -4.440 1.00 0.00 O ATOM 42 ND2 ASN A 3 9.204 -32.056 -5.243 1.00 0.00 N ATOM 0 H ASN A 3 12.057 -31.150 -2.491 1.00 0.00 H new ATOM 0 HA ASN A 3 9.866 -29.561 -3.285 1.00 0.00 H new ATOM 0 HB2 ASN A 3 10.055 -32.396 -2.102 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.567 -31.748 -2.763 1.00 0.00 H new ATOM 0 HD21 ASN A 3 9.447 -32.382 -6.178 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.308 -31.597 -5.080 1.00 0.00 H new ATOM 49 N LEU A 4 9.917 -29.826 -0.077 1.00 0.00 N ATOM 50 CA LEU A 4 9.411 -29.154 1.156 1.00 0.00 C ATOM 51 C LEU A 4 9.576 -27.598 1.117 1.00 0.00 C ATOM 52 O LEU A 4 8.588 -26.893 1.329 1.00 0.00 O ATOM 53 CB LEU A 4 10.055 -29.770 2.434 1.00 0.00 C ATOM 54 CG LEU A 4 9.551 -31.164 2.910 1.00 0.00 C ATOM 55 CD1 LEU A 4 10.003 -32.337 2.016 1.00 0.00 C ATOM 56 CD2 LEU A 4 10.022 -31.431 4.354 1.00 0.00 C ATOM 0 H LEU A 4 10.749 -30.394 0.083 1.00 0.00 H new ATOM 0 HA LEU A 4 8.338 -29.340 1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 4 11.129 -29.844 2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 4 9.910 -29.066 3.253 1.00 0.00 H new ATOM 0 HG LEU A 4 8.464 -31.119 2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 4 9.610 -33.272 2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.627 -32.189 1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 4 11.092 -32.380 1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.665 -32.408 4.678 1.00 0.00 H new ATOM 0 HD22 LEU A 4 11.111 -31.412 4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.623 -30.661 5.015 1.00 0.00 H new ATOM 68 N ASN A 5 10.779 -27.063 0.812 1.00 0.00 N ATOM 69 CA ASN A 5 10.999 -25.602 0.587 1.00 0.00 C ATOM 70 C ASN A 5 10.155 -24.952 -0.567 1.00 0.00 C ATOM 71 O ASN A 5 9.644 -23.845 -0.386 1.00 0.00 O ATOM 72 CB ASN A 5 12.528 -25.391 0.408 1.00 0.00 C ATOM 73 CG ASN A 5 12.996 -23.928 0.490 1.00 0.00 C ATOM 74 OD1 ASN A 5 13.004 -23.317 1.555 1.00 0.00 O ATOM 75 ND2 ASN A 5 13.393 -23.332 -0.617 1.00 0.00 N ATOM 0 H ASN A 5 11.626 -27.622 0.713 1.00 0.00 H new ATOM 0 HA ASN A 5 10.625 -25.068 1.460 1.00 0.00 H new ATOM 0 HB2 ASN A 5 13.051 -25.967 1.171 1.00 0.00 H new ATOM 0 HB3 ASN A 5 12.825 -25.798 -0.558 1.00 0.00 H new ATOM 0 HD21 ASN A 5 13.707 -22.362 -0.589 1.00 0.00 H new ATOM 0 HD22 ASN A 5 13.386 -23.841 -1.501 1.00 0.00 H new ATOM 82 N MET A 6 9.990 -25.632 -1.717 1.00 0.00 N ATOM 83 CA MET A 6 9.092 -25.193 -2.825 1.00 0.00 C ATOM 84 C MET A 6 7.576 -25.168 -2.457 1.00 0.00 C ATOM 85 O MET A 6 6.912 -24.180 -2.771 1.00 0.00 O ATOM 86 CB MET A 6 9.341 -26.064 -4.088 1.00 0.00 C ATOM 87 CG MET A 6 10.729 -25.911 -4.735 1.00 0.00 C ATOM 88 SD MET A 6 10.850 -27.008 -6.160 1.00 0.00 S ATOM 89 CE MET A 6 12.623 -26.927 -6.475 1.00 0.00 C ATOM 0 H MET A 6 10.475 -26.508 -1.914 1.00 0.00 H new ATOM 0 HA MET A 6 9.352 -24.154 -3.030 1.00 0.00 H new ATOM 0 HB2 MET A 6 9.198 -27.111 -3.820 1.00 0.00 H new ATOM 0 HB3 MET A 6 8.583 -25.819 -4.832 1.00 0.00 H new ATOM 0 HG2 MET A 6 10.887 -24.878 -5.043 1.00 0.00 H new ATOM 0 HG3 MET A 6 11.508 -26.150 -4.011 1.00 0.00 H new ATOM 0 HE1 MET A 6 12.869 -27.554 -7.332 1.00 0.00 H new ATOM 0 HE2 MET A 6 12.908 -25.896 -6.686 1.00 0.00 H new ATOM 0 HE3 MET A 6 13.165 -27.281 -5.598 1.00 0.00 H new ATOM 99 N ASP A 7 7.045 -26.202 -1.769 1.00 0.00 N ATOM 100 CA ASP A 7 5.685 -26.186 -1.167 1.00 0.00 C ATOM 101 C ASP A 7 5.447 -25.103 -0.059 1.00 0.00 C ATOM 102 O ASP A 7 4.369 -24.503 -0.010 1.00 0.00 O ATOM 103 CB ASP A 7 5.379 -27.619 -0.660 1.00 0.00 C ATOM 104 CG ASP A 7 3.896 -27.889 -0.390 1.00 0.00 C ATOM 105 OD1 ASP A 7 3.078 -28.128 -1.275 1.00 0.00 O ATOM 106 OD2 ASP A 7 3.587 -27.816 0.940 1.00 0.00 O ATOM 0 H ASP A 7 7.546 -27.077 -1.612 1.00 0.00 H new ATOM 0 HA ASP A 7 4.985 -25.884 -1.946 1.00 0.00 H new ATOM 0 HB2 ASP A 7 5.739 -28.337 -1.397 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.941 -27.795 0.257 1.00 0.00 H new ATOM 112 N LEU A 8 6.453 -24.843 0.796 1.00 0.00 N ATOM 113 CA LEU A 8 6.457 -23.683 1.730 1.00 0.00 C ATOM 114 C LEU A 8 6.415 -22.282 1.031 1.00 0.00 C ATOM 115 O LEU A 8 5.589 -21.447 1.407 1.00 0.00 O ATOM 116 CB LEU A 8 7.645 -23.795 2.732 1.00 0.00 C ATOM 117 CG LEU A 8 7.558 -24.921 3.801 1.00 0.00 C ATOM 118 CD1 LEU A 8 8.930 -25.143 4.466 1.00 0.00 C ATOM 119 CD2 LEU A 8 6.499 -24.635 4.885 1.00 0.00 C ATOM 0 H LEU A 8 7.288 -25.425 0.865 1.00 0.00 H new ATOM 0 HA LEU A 8 5.518 -23.739 2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.560 -23.941 2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.743 -22.841 3.251 1.00 0.00 H new ATOM 0 HG LEU A 8 7.252 -25.824 3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.849 -25.934 5.211 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.659 -25.431 3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.253 -24.221 4.949 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.483 -25.455 5.603 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.746 -23.706 5.399 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.518 -24.542 4.419 1.00 0.00 H new ATOM 131 N LEU A 9 7.262 -22.042 0.008 1.00 0.00 N ATOM 132 CA LEU A 9 7.218 -20.823 -0.847 1.00 0.00 C ATOM 133 C LEU A 9 5.884 -20.615 -1.642 1.00 0.00 C ATOM 134 O LEU A 9 5.298 -19.532 -1.590 1.00 0.00 O ATOM 135 CB LEU A 9 8.465 -20.859 -1.783 1.00 0.00 C ATOM 136 CG LEU A 9 8.988 -19.484 -2.277 1.00 0.00 C ATOM 137 CD1 LEU A 9 9.700 -18.687 -1.166 1.00 0.00 C ATOM 138 CD2 LEU A 9 9.947 -19.669 -3.468 1.00 0.00 C ATOM 0 H LEU A 9 8.004 -22.690 -0.255 1.00 0.00 H new ATOM 0 HA LEU A 9 7.245 -19.953 -0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.274 -21.365 -1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.222 -21.467 -2.655 1.00 0.00 H new ATOM 0 HG LEU A 9 8.114 -18.912 -2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.046 -17.734 -1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.005 -18.506 -0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 9 10.553 -19.257 -0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.304 -18.695 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 9 10.795 -20.281 -3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.421 -20.162 -4.285 1.00 0.00 H new ATOM 150 N TYR A 10 5.404 -21.670 -2.329 1.00 0.00 N ATOM 151 CA TYR A 10 4.037 -21.788 -2.914 1.00 0.00 C ATOM 152 C TYR A 10 2.866 -21.303 -2.025 1.00 0.00 C ATOM 153 O TYR A 10 2.130 -20.398 -2.432 1.00 0.00 O ATOM 154 CB TYR A 10 3.892 -23.305 -3.298 1.00 0.00 C ATOM 155 CG TYR A 10 2.687 -23.883 -4.073 1.00 0.00 C ATOM 156 CD1 TYR A 10 1.684 -23.103 -4.660 1.00 0.00 C ATOM 157 CD2 TYR A 10 2.650 -25.274 -4.245 1.00 0.00 C ATOM 158 CE1 TYR A 10 0.682 -23.699 -5.424 1.00 0.00 C ATOM 159 CE2 TYR A 10 1.642 -25.869 -5.000 1.00 0.00 C ATOM 160 CZ TYR A 10 0.663 -25.079 -5.594 1.00 0.00 C ATOM 161 OH TYR A 10 -0.310 -25.660 -6.363 1.00 0.00 O ATOM 0 H TYR A 10 5.972 -22.499 -2.503 1.00 0.00 H new ATOM 0 HA TYR A 10 3.957 -21.112 -3.766 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.779 -23.559 -3.878 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.951 -23.864 -2.364 1.00 0.00 H new ATOM 0 HD1 TYR A 10 1.686 -22.032 -4.520 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.410 -25.890 -3.788 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.080 -23.088 -5.884 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.620 -26.942 -5.124 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.178 -26.631 -6.379 1.00 0.00 H new ATOM 171 N MET A 11 2.704 -21.894 -0.828 1.00 0.00 N ATOM 172 CA MET A 11 1.637 -21.504 0.105 1.00 0.00 C ATOM 173 C MET A 11 1.837 -20.101 0.765 1.00 0.00 C ATOM 174 O MET A 11 0.858 -19.365 0.860 1.00 0.00 O ATOM 175 CB MET A 11 1.415 -22.655 1.121 1.00 0.00 C ATOM 176 CG MET A 11 0.126 -22.537 1.953 1.00 0.00 C ATOM 177 SD MET A 11 -0.013 -23.965 3.046 1.00 0.00 S ATOM 178 CE MET A 11 -1.556 -23.568 3.889 1.00 0.00 C ATOM 0 H MET A 11 3.302 -22.646 -0.485 1.00 0.00 H new ATOM 0 HA MET A 11 0.720 -21.362 -0.466 1.00 0.00 H new ATOM 0 HB2 MET A 11 1.397 -23.601 0.580 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.267 -22.692 1.799 1.00 0.00 H new ATOM 0 HG2 MET A 11 0.140 -21.617 2.538 1.00 0.00 H new ATOM 0 HG3 MET A 11 -0.741 -22.483 1.295 1.00 0.00 H new ATOM 0 HE1 MET A 11 -1.792 -24.354 4.606 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.450 -22.618 4.413 1.00 0.00 H new ATOM 0 HE3 MET A 11 -2.361 -23.491 3.158 1.00 0.00 H new ATOM 188 N ALA A 12 3.066 -19.699 1.160 1.00 0.00 N ATOM 189 CA ALA A 12 3.395 -18.294 1.513 1.00 0.00 C ATOM 190 C ALA A 12 3.046 -17.200 0.457 1.00 0.00 C ATOM 191 O ALA A 12 2.500 -16.172 0.845 1.00 0.00 O ATOM 192 CB ALA A 12 4.879 -18.240 1.922 1.00 0.00 C ATOM 0 H ALA A 12 3.858 -20.336 1.244 1.00 0.00 H new ATOM 0 HA ALA A 12 2.735 -18.027 2.339 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.147 -17.217 2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.044 -18.892 2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.498 -18.573 1.089 1.00 0.00 H new ATOM 198 N ALA A 13 3.295 -17.424 -0.847 1.00 0.00 N ATOM 199 CA ALA A 13 2.752 -16.616 -1.961 1.00 0.00 C ATOM 200 C ALA A 13 1.204 -16.539 -2.086 1.00 0.00 C ATOM 201 O ALA A 13 0.656 -15.440 -2.071 1.00 0.00 O ATOM 202 CB ALA A 13 3.430 -17.210 -3.208 1.00 0.00 C ATOM 0 H ALA A 13 3.892 -18.188 -1.165 1.00 0.00 H new ATOM 0 HA ALA A 13 2.976 -15.562 -1.796 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.091 -16.676 -4.096 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.512 -17.111 -3.116 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.168 -18.264 -3.297 1.00 0.00 H new ATOM 208 N ALA A 14 0.507 -17.678 -2.163 1.00 0.00 N ATOM 209 CA ALA A 14 -0.975 -17.764 -1.980 1.00 0.00 C ATOM 210 C ALA A 14 -1.589 -17.050 -0.730 1.00 0.00 C ATOM 211 O ALA A 14 -2.571 -16.312 -0.854 1.00 0.00 O ATOM 212 CB ALA A 14 -1.373 -19.248 -2.029 1.00 0.00 C ATOM 0 H ALA A 14 0.943 -18.580 -2.354 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.407 -17.190 -2.800 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.451 -19.340 -1.898 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.087 -19.670 -2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.863 -19.788 -1.231 1.00 0.00 H new ATOM 218 N VAL A 15 -0.964 -17.216 0.449 1.00 0.00 N ATOM 219 CA VAL A 15 -1.232 -16.392 1.664 1.00 0.00 C ATOM 220 C VAL A 15 -0.948 -14.861 1.445 1.00 0.00 C ATOM 221 O VAL A 15 -1.831 -14.047 1.715 1.00 0.00 O ATOM 222 CB VAL A 15 -0.567 -17.022 2.934 1.00 0.00 C ATOM 223 CG1 VAL A 15 -0.634 -16.150 4.213 1.00 0.00 C ATOM 224 CG2 VAL A 15 -1.145 -18.410 3.311 1.00 0.00 C ATOM 0 H VAL A 15 -0.250 -17.930 0.597 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.304 -16.418 1.859 1.00 0.00 H new ATOM 0 HB VAL A 15 0.472 -17.108 2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.147 -16.673 5.036 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.126 -15.202 4.034 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.676 -15.960 4.470 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.638 -18.786 4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.212 -18.317 3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.992 -19.104 2.485 1.00 0.00 H new ATOM 234 N MET A 16 0.241 -14.482 0.934 1.00 0.00 N ATOM 235 CA MET A 16 0.573 -13.089 0.512 1.00 0.00 C ATOM 236 C MET A 16 -0.393 -12.423 -0.521 1.00 0.00 C ATOM 237 O MET A 16 -0.761 -11.270 -0.302 1.00 0.00 O ATOM 238 CB MET A 16 2.060 -13.036 0.039 1.00 0.00 C ATOM 239 CG MET A 16 3.059 -12.589 1.121 1.00 0.00 C ATOM 240 SD MET A 16 3.032 -13.719 2.529 1.00 0.00 S ATOM 241 CE MET A 16 4.188 -12.885 3.630 1.00 0.00 C ATOM 0 H MET A 16 1.012 -15.135 0.798 1.00 0.00 H new ATOM 0 HA MET A 16 0.427 -12.473 1.399 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.350 -14.024 -0.319 1.00 0.00 H new ATOM 0 HB3 MET A 16 2.134 -12.355 -0.809 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.064 -12.550 0.700 1.00 0.00 H new ATOM 0 HG3 MET A 16 2.813 -11.581 1.454 1.00 0.00 H new ATOM 0 HE1 MET A 16 4.287 -13.456 4.553 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.161 -12.808 3.145 1.00 0.00 H new ATOM 0 HE3 MET A 16 3.816 -11.886 3.859 1.00 0.00 H new ATOM 251 N MET A 17 -0.837 -13.106 -1.594 1.00 0.00 N ATOM 252 CA MET A 17 -1.943 -12.587 -2.467 1.00 0.00 C ATOM 253 C MET A 17 -3.380 -12.504 -1.848 1.00 0.00 C ATOM 254 O MET A 17 -4.146 -11.627 -2.259 1.00 0.00 O ATOM 255 CB MET A 17 -1.934 -13.253 -3.868 1.00 0.00 C ATOM 256 CG MET A 17 -2.363 -14.725 -3.958 1.00 0.00 C ATOM 257 SD MET A 17 -4.159 -14.889 -3.924 1.00 0.00 S ATOM 258 CE MET A 17 -4.316 -16.675 -4.117 1.00 0.00 C ATOM 0 H MET A 17 -0.462 -14.008 -1.886 1.00 0.00 H new ATOM 0 HA MET A 17 -1.688 -11.533 -2.574 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.586 -12.672 -4.520 1.00 0.00 H new ATOM 0 HB3 MET A 17 -0.925 -13.172 -4.272 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.973 -15.164 -4.876 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.929 -15.284 -3.129 1.00 0.00 H new ATOM 0 HE1 MET A 17 -5.371 -16.950 -4.117 1.00 0.00 H new ATOM 0 HE2 MET A 17 -3.862 -16.980 -5.060 1.00 0.00 H new ATOM 0 HE3 MET A 17 -3.810 -17.176 -3.291 1.00 0.00 H new ATOM 268 N GLY A 18 -3.743 -13.358 -0.868 1.00 0.00 N ATOM 269 CA GLY A 18 -4.987 -13.166 -0.061 1.00 0.00 C ATOM 270 C GLY A 18 -4.972 -12.068 1.035 1.00 0.00 C ATOM 271 O GLY A 18 -5.980 -11.386 1.225 1.00 0.00 O ATOM 0 H GLY A 18 -3.203 -14.184 -0.611 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.802 -12.942 -0.749 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.226 -14.115 0.418 1.00 0.00 H new ATOM 275 N LEU A 19 -3.835 -11.895 1.730 1.00 0.00 N ATOM 276 CA LEU A 19 -3.545 -10.760 2.654 1.00 0.00 C ATOM 277 C LEU A 19 -4.068 -9.317 2.270 1.00 0.00 C ATOM 278 O LEU A 19 -4.762 -8.761 3.125 1.00 0.00 O ATOM 279 CB LEU A 19 -2.013 -10.840 2.924 1.00 0.00 C ATOM 280 CG LEU A 19 -1.400 -9.875 3.972 1.00 0.00 C ATOM 281 CD1 LEU A 19 -1.921 -10.133 5.399 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.137 -9.974 3.951 1.00 0.00 C ATOM 0 H LEU A 19 -3.061 -12.557 1.670 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.145 -10.891 3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.783 -11.859 3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.499 -10.673 1.977 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.712 -8.868 3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.457 -9.428 6.089 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.003 -10.003 5.420 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.672 -11.151 5.699 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.556 -9.292 4.691 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.439 -10.995 4.186 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.505 -9.706 2.961 1.00 0.00 H new ATOM 294 N PRO A 20 -3.842 -8.685 1.074 1.00 0.00 N ATOM 295 CA PRO A 20 -4.508 -7.407 0.676 1.00 0.00 C ATOM 296 C PRO A 20 -6.068 -7.328 0.655 1.00 0.00 C ATOM 297 O PRO A 20 -6.590 -6.223 0.829 1.00 0.00 O ATOM 298 CB PRO A 20 -3.914 -7.147 -0.710 1.00 0.00 C ATOM 299 CG PRO A 20 -3.424 -8.485 -1.246 1.00 0.00 C ATOM 300 CD PRO A 20 -2.959 -9.205 0.014 1.00 0.00 C ATOM 0 HA PRO A 20 -4.314 -6.660 1.445 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.663 -6.717 -1.375 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.093 -6.433 -0.649 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -4.218 -9.032 -1.754 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.613 -8.361 -1.963 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.053 -10.286 -0.088 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.911 -8.995 0.229 1.00 0.00 H new ATOM 308 N ALA A 21 -6.809 -8.446 0.476 1.00 0.00 N ATOM 309 CA ALA A 21 -8.290 -8.464 0.666 1.00 0.00 C ATOM 310 C ALA A 21 -8.828 -8.050 2.077 1.00 0.00 C ATOM 311 O ALA A 21 -9.885 -7.422 2.156 1.00 0.00 O ATOM 312 CB ALA A 21 -8.813 -9.852 0.251 1.00 0.00 C ATOM 0 H ALA A 21 -6.414 -9.346 0.202 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.681 -7.672 0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.895 -9.887 0.382 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.568 -10.035 -0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.347 -10.617 0.872 1.00 0.00 H new ATOM 318 N ILE A 22 -8.091 -8.348 3.164 1.00 0.00 N ATOM 319 CA ILE A 22 -8.265 -7.669 4.484 1.00 0.00 C ATOM 320 C ILE A 22 -7.410 -6.350 4.544 1.00 0.00 C ATOM 321 O ILE A 22 -7.966 -5.289 4.836 1.00 0.00 O ATOM 322 CB ILE A 22 -7.992 -8.666 5.674 1.00 0.00 C ATOM 323 CG1 ILE A 22 -8.785 -10.011 5.627 1.00 0.00 C ATOM 324 CG2 ILE A 22 -8.173 -8.014 7.070 1.00 0.00 C ATOM 325 CD1 ILE A 22 -10.322 -9.917 5.620 1.00 0.00 C ATOM 0 H ILE A 22 -7.360 -9.060 3.164 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.304 -7.359 4.596 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.942 -8.918 5.523 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.475 -10.556 4.735 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.486 -10.611 6.487 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.971 -8.753 7.846 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.480 -7.179 7.174 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.196 -7.651 7.172 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.748 -10.920 5.586 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.660 -9.410 6.524 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.648 -9.355 4.745 1.00 0.00 H new ATOM 337 N GLY A 23 -6.083 -6.415 4.303 1.00 0.00 N ATOM 338 CA GLY A 23 -5.138 -5.294 4.547 1.00 0.00 C ATOM 339 C GLY A 23 -5.359 -3.973 3.782 1.00 0.00 C ATOM 340 O GLY A 23 -5.649 -2.958 4.415 1.00 0.00 O ATOM 0 H GLY A 23 -5.630 -7.250 3.931 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.158 -5.068 5.613 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.134 -5.649 4.315 1.00 0.00 H new ATOM 344 N ALA A 24 -5.218 -3.980 2.446 1.00 0.00 N ATOM 345 CA ALA A 24 -5.486 -2.779 1.604 1.00 0.00 C ATOM 346 C ALA A 24 -6.975 -2.409 1.294 1.00 0.00 C ATOM 347 O ALA A 24 -7.233 -1.272 0.889 1.00 0.00 O ATOM 348 CB ALA A 24 -4.657 -2.900 0.321 1.00 0.00 C ATOM 0 H ALA A 24 -4.920 -4.799 1.916 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.185 -1.931 2.220 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.837 -2.031 -0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.598 -2.951 0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.945 -3.805 -0.214 1.00 0.00 H new ATOM 354 N ALA A 25 -7.947 -3.307 1.545 1.00 0.00 N ATOM 355 CA ALA A 25 -9.389 -2.941 1.660 1.00 0.00 C ATOM 356 C ALA A 25 -9.731 -2.045 2.898 1.00 0.00 C ATOM 357 O ALA A 25 -10.339 -0.984 2.732 1.00 0.00 O ATOM 358 CB ALA A 25 -10.217 -4.237 1.637 1.00 0.00 C ATOM 0 H ALA A 25 -7.766 -4.302 1.674 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.645 -2.312 0.808 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.276 -3.994 1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.039 -4.766 0.701 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.924 -4.871 2.474 1.00 0.00 H new ATOM 364 N ILE A 26 -9.262 -2.420 4.109 1.00 0.00 N ATOM 365 CA ILE A 26 -9.107 -1.474 5.266 1.00 0.00 C ATOM 366 C ILE A 26 -8.146 -0.254 4.975 1.00 0.00 C ATOM 367 O ILE A 26 -8.375 0.825 5.526 1.00 0.00 O ATOM 368 CB ILE A 26 -8.733 -2.290 6.563 1.00 0.00 C ATOM 369 CG1 ILE A 26 -9.752 -3.404 6.970 1.00 0.00 C ATOM 370 CG2 ILE A 26 -8.423 -1.426 7.815 1.00 0.00 C ATOM 371 CD1 ILE A 26 -11.186 -2.959 7.320 1.00 0.00 C ATOM 0 H ILE A 26 -8.979 -3.376 4.324 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.068 -0.989 5.437 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.812 -2.773 6.236 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.812 -4.121 6.151 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.345 -3.935 7.830 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.177 -2.077 8.654 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.578 -0.770 7.605 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.296 -0.823 8.066 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.784 -3.832 7.583 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.157 -2.271 8.165 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -11.632 -2.459 6.460 1.00 0.00 H new ATOM 383 N GLY A 27 -7.125 -0.391 4.102 1.00 0.00 N ATOM 384 CA GLY A 27 -6.341 0.747 3.561 1.00 0.00 C ATOM 385 C GLY A 27 -7.161 1.866 2.887 1.00 0.00 C ATOM 386 O GLY A 27 -7.195 2.972 3.420 1.00 0.00 O ATOM 0 H GLY A 27 -6.818 -1.297 3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.763 1.185 4.375 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.626 0.359 2.836 1.00 0.00 H new ATOM 390 N ILE A 28 -7.886 1.575 1.791 1.00 0.00 N ATOM 391 CA ILE A 28 -8.869 2.537 1.188 1.00 0.00 C ATOM 392 C ILE A 28 -9.936 3.052 2.222 1.00 0.00 C ATOM 393 O ILE A 28 -9.921 4.237 2.565 1.00 0.00 O ATOM 394 CB ILE A 28 -9.480 1.958 -0.144 1.00 0.00 C ATOM 395 CG1 ILE A 28 -8.437 1.564 -1.232 1.00 0.00 C ATOM 396 CG2 ILE A 28 -10.554 2.874 -0.794 1.00 0.00 C ATOM 397 CD1 ILE A 28 -7.464 2.674 -1.654 1.00 0.00 C ATOM 0 H ILE A 28 -7.820 0.686 1.295 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.324 3.438 0.905 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.956 1.043 0.209 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.857 0.718 -0.863 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.974 1.221 -2.116 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -10.927 2.407 -1.706 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.379 3.018 -0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.110 3.840 -1.036 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.783 2.291 -2.414 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.026 3.515 -2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.891 3.005 -0.788 1.00 0.00 H new ATOM 409 N GLY A 29 -10.815 2.167 2.731 1.00 0.00 N ATOM 410 CA GLY A 29 -11.922 2.550 3.651 1.00 0.00 C ATOM 411 C GLY A 29 -11.573 3.342 4.935 1.00 0.00 C ATOM 412 O GLY A 29 -12.102 4.436 5.144 1.00 0.00 O ATOM 0 H GLY A 29 -10.785 1.169 2.522 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.638 3.142 3.080 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.433 1.636 3.954 1.00 0.00 H new ATOM 416 N ILE A 30 -10.688 2.789 5.778 1.00 0.00 N ATOM 417 CA ILE A 30 -10.238 3.444 7.043 1.00 0.00 C ATOM 418 C ILE A 30 -9.079 4.453 6.735 1.00 0.00 C ATOM 419 O ILE A 30 -9.243 5.640 7.043 1.00 0.00 O ATOM 420 CB ILE A 30 -9.961 2.375 8.171 1.00 0.00 C ATOM 421 CG1 ILE A 30 -11.231 1.675 8.752 1.00 0.00 C ATOM 422 CG2 ILE A 30 -9.194 2.947 9.394 1.00 0.00 C ATOM 423 CD1 ILE A 30 -12.075 0.823 7.789 1.00 0.00 C ATOM 0 H ILE A 30 -10.258 1.879 5.615 1.00 0.00 H new ATOM 0 HA ILE A 30 -11.033 4.055 7.469 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.358 1.647 7.629 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.915 1.037 9.577 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.877 2.445 9.174 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.039 2.157 10.128 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.229 3.335 9.069 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -9.775 3.752 9.844 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -12.923 0.399 8.327 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.439 1.448 6.973 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -11.462 0.018 7.384 1.00 0.00 H new ATOM 435 N LEU A 31 -7.935 4.016 6.147 1.00 0.00 N ATOM 436 CA LEU A 31 -6.792 4.933 5.843 1.00 0.00 C ATOM 437 C LEU A 31 -6.963 5.890 4.608 1.00 0.00 C ATOM 438 O LEU A 31 -6.040 6.658 4.321 1.00 0.00 O ATOM 439 CB LEU A 31 -5.430 4.170 5.788 1.00 0.00 C ATOM 440 CG LEU A 31 -5.098 3.177 6.932 1.00 0.00 C ATOM 441 CD1 LEU A 31 -3.808 2.396 6.621 1.00 0.00 C ATOM 442 CD2 LEU A 31 -4.963 3.871 8.303 1.00 0.00 C ATOM 0 H LEU A 31 -7.775 3.046 5.874 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.791 5.612 6.695 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.395 3.619 4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.634 4.913 5.751 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.940 2.487 6.992 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.595 1.706 7.437 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.937 1.835 5.695 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.978 3.094 6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.730 3.128 9.066 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.162 4.609 8.260 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.901 4.367 8.554 1.00 0.00 H new ATOM 454 N GLY A 32 -8.126 5.908 3.924 1.00 0.00 N ATOM 455 CA GLY A 32 -8.593 7.062 3.121 1.00 0.00 C ATOM 456 C GLY A 32 -9.836 7.808 3.638 1.00 0.00 C ATOM 457 O GLY A 32 -9.860 9.028 3.491 1.00 0.00 O ATOM 0 H GLY A 32 -8.772 5.119 3.912 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.774 7.777 3.046 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.803 6.710 2.111 1.00 0.00 H new ATOM 461 N GLY A 33 -10.853 7.149 4.230 1.00 0.00 N ATOM 462 CA GLY A 33 -12.007 7.861 4.852 1.00 0.00 C ATOM 463 C GLY A 33 -11.656 8.866 5.976 1.00 0.00 C ATOM 464 O GLY A 33 -11.895 10.069 5.823 1.00 0.00 O ATOM 0 H GLY A 33 -10.906 6.132 4.294 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.544 8.395 4.068 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.692 7.117 5.258 1.00 0.00 H new ATOM 468 N LYS A 34 -11.014 8.378 7.054 1.00 0.00 N ATOM 469 CA LYS A 34 -10.382 9.247 8.087 1.00 0.00 C ATOM 470 C LYS A 34 -9.307 10.256 7.553 1.00 0.00 C ATOM 471 O LYS A 34 -9.303 11.420 7.965 1.00 0.00 O ATOM 472 CB LYS A 34 -9.764 8.340 9.188 1.00 0.00 C ATOM 473 CG LYS A 34 -10.765 7.525 10.046 1.00 0.00 C ATOM 474 CD LYS A 34 -10.104 6.627 11.111 1.00 0.00 C ATOM 475 CE LYS A 34 -9.515 7.390 12.313 1.00 0.00 C ATOM 476 NZ LYS A 34 -8.952 6.455 13.303 1.00 0.00 N ATOM 0 H LYS A 34 -10.914 7.380 7.240 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.178 9.879 8.480 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.075 7.643 8.711 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.172 8.966 9.855 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.446 8.216 10.542 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.368 6.902 9.386 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.843 5.914 11.476 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.310 6.049 10.639 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.739 8.074 11.970 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.291 7.997 12.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.561 6.991 14.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.701 5.819 13.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.197 5.894 12.860 1.00 0.00 H new ATOM 489 N PHE A 35 -8.410 9.819 6.644 1.00 0.00 N ATOM 490 CA PHE A 35 -7.317 10.655 6.104 1.00 0.00 C ATOM 491 C PHE A 35 -7.718 11.812 5.153 1.00 0.00 C ATOM 492 O PHE A 35 -7.173 12.910 5.293 1.00 0.00 O ATOM 493 CB PHE A 35 -6.236 9.714 5.492 1.00 0.00 C ATOM 494 CG PHE A 35 -5.139 9.360 6.505 1.00 0.00 C ATOM 495 CD1 PHE A 35 -4.103 10.272 6.732 1.00 0.00 C ATOM 496 CD2 PHE A 35 -5.248 8.228 7.315 1.00 0.00 C ATOM 497 CE1 PHE A 35 -3.196 10.055 7.767 1.00 0.00 C ATOM 498 CE2 PHE A 35 -4.325 7.999 8.332 1.00 0.00 C ATOM 499 CZ PHE A 35 -3.303 8.916 8.562 1.00 0.00 C ATOM 0 H PHE A 35 -8.424 8.873 6.263 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.915 11.213 6.950 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -6.711 8.799 5.138 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.786 10.196 4.624 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.006 11.145 6.104 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.053 7.526 7.152 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.409 10.771 7.953 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -4.402 7.111 8.942 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.593 8.744 9.357 1.00 0.00 H new ATOM 509 N LEU A 36 -8.656 11.605 4.212 1.00 0.00 N ATOM 510 CA LEU A 36 -9.220 12.678 3.382 1.00 0.00 C ATOM 511 C LEU A 36 -10.158 13.633 4.192 1.00 0.00 C ATOM 512 O LEU A 36 -10.122 14.835 3.925 1.00 0.00 O ATOM 513 CB LEU A 36 -9.780 11.956 2.118 1.00 0.00 C ATOM 514 CG LEU A 36 -10.477 12.774 1.001 1.00 0.00 C ATOM 515 CD1 LEU A 36 -11.903 13.130 1.443 1.00 0.00 C ATOM 516 CD2 LEU A 36 -9.684 14.010 0.536 1.00 0.00 C ATOM 0 H LEU A 36 -9.044 10.684 4.007 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.494 13.415 3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.950 11.420 1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.492 11.206 2.462 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.521 12.139 0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.394 13.705 0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.466 12.215 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.863 13.723 2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.241 14.526 -0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.533 14.684 1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.716 13.696 0.145 1.00 0.00 H new ATOM 528 N GLU A 37 -10.972 13.171 5.174 1.00 0.00 N ATOM 529 CA GLU A 37 -11.609 14.043 6.182 1.00 0.00 C ATOM 530 C GLU A 37 -10.646 15.011 6.961 1.00 0.00 C ATOM 531 O GLU A 37 -10.997 16.178 7.151 1.00 0.00 O ATOM 532 CB GLU A 37 -12.386 13.025 7.062 1.00 0.00 C ATOM 533 CG GLU A 37 -13.318 13.679 8.078 1.00 0.00 C ATOM 534 CD GLU A 37 -14.090 12.683 8.943 1.00 0.00 C ATOM 535 OE1 GLU A 37 -15.255 12.359 8.731 1.00 0.00 O ATOM 536 OE2 GLU A 37 -13.335 12.197 9.974 1.00 0.00 O ATOM 0 H GLU A 37 -11.202 12.184 5.286 1.00 0.00 H new ATOM 0 HA GLU A 37 -12.257 14.794 5.730 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.970 12.370 6.415 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.671 12.395 7.591 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.732 14.330 8.727 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.029 14.313 7.548 1.00 0.00 H new ATOM 544 N GLY A 38 -9.429 14.560 7.333 1.00 0.00 N ATOM 545 CA GLY A 38 -8.317 15.477 7.695 1.00 0.00 C ATOM 546 C GLY A 38 -7.679 16.342 6.575 1.00 0.00 C ATOM 547 O GLY A 38 -7.223 17.449 6.875 1.00 0.00 O ATOM 0 H GLY A 38 -9.188 13.571 7.392 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.682 16.152 8.469 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.525 14.877 8.143 1.00 0.00 H new ATOM 551 N ALA A 39 -7.627 15.863 5.317 1.00 0.00 N ATOM 552 CA ALA A 39 -7.100 16.666 4.177 1.00 0.00 C ATOM 553 C ALA A 39 -8.030 17.783 3.609 1.00 0.00 C ATOM 554 O ALA A 39 -7.520 18.739 3.016 1.00 0.00 O ATOM 555 CB ALA A 39 -6.722 15.692 3.056 1.00 0.00 C ATOM 0 H ALA A 39 -7.940 14.928 5.057 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.251 17.220 4.577 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.332 16.250 2.205 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.960 15.001 3.416 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.605 15.131 2.748 1.00 0.00 H new ATOM 561 N ALA A 40 -9.364 17.683 3.794 1.00 0.00 N ATOM 562 CA ALA A 40 -10.344 18.714 3.355 1.00 0.00 C ATOM 563 C ALA A 40 -10.168 20.188 3.861 1.00 0.00 C ATOM 564 O ALA A 40 -10.672 21.108 3.211 1.00 0.00 O ATOM 565 CB ALA A 40 -11.728 18.147 3.723 1.00 0.00 C ATOM 0 H ALA A 40 -9.799 16.883 4.254 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.184 18.865 2.287 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.502 18.856 3.428 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.884 17.202 3.203 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.779 17.982 4.799 1.00 0.00 H new ATOM 571 N ARG A 41 -9.425 20.424 4.962 1.00 0.00 N ATOM 572 CA ARG A 41 -8.979 21.777 5.396 1.00 0.00 C ATOM 573 C ARG A 41 -8.105 22.611 4.389 1.00 0.00 C ATOM 574 O ARG A 41 -8.243 23.837 4.367 1.00 0.00 O ATOM 575 CB ARG A 41 -8.285 21.532 6.764 1.00 0.00 C ATOM 576 CG ARG A 41 -7.868 22.787 7.560 1.00 0.00 C ATOM 577 CD ARG A 41 -7.214 22.394 8.894 1.00 0.00 C ATOM 578 NE ARG A 41 -6.748 23.604 9.613 1.00 0.00 N ATOM 579 CZ ARG A 41 -6.075 23.599 10.771 1.00 0.00 C ATOM 580 NH1 ARG A 41 -5.738 22.503 11.427 1.00 0.00 N ATOM 581 NH2 ARG A 41 -5.729 24.751 11.280 1.00 0.00 N ATOM 0 H ARG A 41 -9.112 19.679 5.584 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.844 22.437 5.459 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.957 20.941 7.386 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.395 20.926 6.591 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.172 23.383 6.970 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.742 23.411 7.748 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.928 21.848 9.511 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.374 21.724 8.712 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.956 24.510 9.193 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.991 21.588 11.055 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.224 22.572 12.306 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.972 25.616 10.797 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.216 24.786 12.161 1.00 0.00 H new ATOM 594 N GLN A 42 -7.221 21.985 3.584 1.00 0.00 N ATOM 595 CA GLN A 42 -6.464 22.680 2.512 1.00 0.00 C ATOM 596 C GLN A 42 -6.081 21.644 1.402 1.00 0.00 C ATOM 597 O GLN A 42 -5.453 20.631 1.740 1.00 0.00 O ATOM 598 CB GLN A 42 -5.178 23.387 3.032 1.00 0.00 C ATOM 599 CG GLN A 42 -4.741 24.611 2.198 1.00 0.00 C ATOM 600 CD GLN A 42 -3.551 25.371 2.799 1.00 0.00 C ATOM 601 OE1 GLN A 42 -3.717 26.323 3.558 1.00 0.00 O ATOM 602 NE2 GLN A 42 -2.328 24.988 2.490 1.00 0.00 N ATOM 0 H GLN A 42 -7.010 20.990 3.655 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.112 23.460 2.111 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.344 23.705 4.061 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.362 22.664 3.049 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.480 24.281 1.193 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.585 25.294 2.100 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.185 24.198 1.860 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.525 25.481 2.880 1.00 0.00 H new ATOM 611 N PRO A 43 -6.327 21.868 0.078 1.00 0.00 N ATOM 612 CA PRO A 43 -5.807 20.972 -0.997 1.00 0.00 C ATOM 613 C PRO A 43 -4.272 20.971 -1.312 1.00 0.00 C ATOM 614 O PRO A 43 -3.842 20.206 -2.179 1.00 0.00 O ATOM 615 CB PRO A 43 -6.688 21.381 -2.191 1.00 0.00 C ATOM 616 CG PRO A 43 -7.077 22.839 -1.942 1.00 0.00 C ATOM 617 CD PRO A 43 -7.194 22.950 -0.421 1.00 0.00 C ATOM 0 HA PRO A 43 -5.878 19.929 -0.688 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.146 21.276 -3.131 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.572 20.747 -2.260 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.324 23.523 -2.333 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.019 23.088 -2.432 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.862 23.925 -0.064 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -8.224 22.823 -0.089 1.00 0.00 H new ATOM 625 N ASP A 44 -3.449 21.732 -0.567 1.00 0.00 N ATOM 626 CA ASP A 44 -2.010 21.403 -0.357 1.00 0.00 C ATOM 627 C ASP A 44 -1.626 21.595 1.152 1.00 0.00 C ATOM 628 O ASP A 44 -0.774 22.428 1.479 1.00 0.00 O ATOM 629 CB ASP A 44 -1.110 22.224 -1.329 1.00 0.00 C ATOM 630 CG ASP A 44 -1.164 21.797 -2.798 1.00 0.00 C ATOM 631 OD1 ASP A 44 -0.539 20.841 -3.252 1.00 0.00 O ATOM 632 OD2 ASP A 44 -1.989 22.594 -3.542 1.00 0.00 O ATOM 0 H ASP A 44 -3.749 22.585 -0.095 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.838 20.353 -0.595 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.397 23.273 -1.263 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.078 22.154 -0.986 1.00 0.00 H new ATOM 638 N LEU A 45 -2.219 20.801 2.075 1.00 0.00 N ATOM 639 CA LEU A 45 -1.783 20.747 3.507 1.00 0.00 C ATOM 640 C LEU A 45 -0.750 19.596 3.788 1.00 0.00 C ATOM 641 O LEU A 45 -0.504 18.707 2.965 1.00 0.00 O ATOM 642 CB LEU A 45 -3.011 20.703 4.483 1.00 0.00 C ATOM 643 CG LEU A 45 -3.131 21.882 5.501 1.00 0.00 C ATOM 644 CD1 LEU A 45 -4.419 21.738 6.330 1.00 0.00 C ATOM 645 CD2 LEU A 45 -1.943 22.089 6.463 1.00 0.00 C ATOM 0 H LEU A 45 -3.003 20.185 1.861 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.249 21.676 3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.922 20.674 3.885 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.968 19.770 5.044 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.143 22.768 4.867 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.492 22.565 7.036 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.283 21.751 5.665 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.396 20.795 6.877 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.148 22.936 7.117 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.802 21.191 7.065 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.039 22.286 5.887 1.00 0.00 H new ATOM 657 N ILE A 46 -0.201 19.581 5.023 1.00 0.00 N ATOM 658 CA ILE A 46 0.516 18.406 5.609 1.00 0.00 C ATOM 659 C ILE A 46 -0.427 17.138 5.660 1.00 0.00 C ATOM 660 O ILE A 46 -0.042 16.168 5.004 1.00 0.00 O ATOM 661 CB ILE A 46 1.257 18.767 6.955 1.00 0.00 C ATOM 662 CG1 ILE A 46 2.401 19.825 6.826 1.00 0.00 C ATOM 663 CG2 ILE A 46 1.882 17.519 7.637 1.00 0.00 C ATOM 664 CD1 ILE A 46 1.974 21.295 6.674 1.00 0.00 C ATOM 0 H ILE A 46 -0.238 20.383 5.652 1.00 0.00 H new ATOM 0 HA ILE A 46 1.332 18.121 4.945 1.00 0.00 H new ATOM 0 HB ILE A 46 0.454 19.196 7.555 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.038 19.746 7.707 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.014 19.559 5.965 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.380 17.819 8.559 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.097 16.799 7.867 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.608 17.062 6.964 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.860 21.925 6.594 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.368 21.407 5.775 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.391 21.597 7.545 1.00 0.00 H new ATOM 676 N PRO A 47 -1.644 17.078 6.293 1.00 0.00 N ATOM 677 CA PRO A 47 -2.617 15.967 6.081 1.00 0.00 C ATOM 678 C PRO A 47 -3.147 15.670 4.636 1.00 0.00 C ATOM 679 O PRO A 47 -3.657 14.567 4.425 1.00 0.00 O ATOM 680 CB PRO A 47 -3.735 16.280 7.093 1.00 0.00 C ATOM 681 CG PRO A 47 -3.617 17.776 7.382 1.00 0.00 C ATOM 682 CD PRO A 47 -2.116 18.057 7.288 1.00 0.00 C ATOM 0 HA PRO A 47 -2.102 15.019 6.234 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.715 16.036 6.683 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.615 15.694 8.004 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.179 18.367 6.659 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.008 18.023 8.369 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.919 19.080 6.969 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.621 17.922 8.250 1.00 0.00 H new ATOM 690 N LEU A 48 -2.985 16.570 3.642 1.00 0.00 N ATOM 691 CA LEU A 48 -3.100 16.209 2.195 1.00 0.00 C ATOM 692 C LEU A 48 -1.933 15.307 1.679 1.00 0.00 C ATOM 693 O LEU A 48 -2.200 14.259 1.088 1.00 0.00 O ATOM 694 CB LEU A 48 -3.350 17.492 1.356 1.00 0.00 C ATOM 695 CG LEU A 48 -3.695 17.387 -0.157 1.00 0.00 C ATOM 696 CD1 LEU A 48 -2.480 17.112 -1.064 1.00 0.00 C ATOM 697 CD2 LEU A 48 -4.857 16.436 -0.495 1.00 0.00 C ATOM 0 H LEU A 48 -2.774 17.554 3.806 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.970 15.565 2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.163 18.037 1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.457 18.112 1.441 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.047 18.393 -0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.807 17.053 -2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.756 17.919 -0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.017 16.168 -0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.021 16.431 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.611 15.428 -0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.763 16.775 0.008 1.00 0.00 H new ATOM 709 N LEU A 49 -0.658 15.659 1.931 1.00 0.00 N ATOM 710 CA LEU A 49 0.485 14.704 1.747 1.00 0.00 C ATOM 711 C LEU A 49 0.465 13.417 2.636 1.00 0.00 C ATOM 712 O LEU A 49 0.931 12.374 2.169 1.00 0.00 O ATOM 713 CB LEU A 49 1.833 15.467 1.896 1.00 0.00 C ATOM 714 CG LEU A 49 2.119 16.633 0.907 1.00 0.00 C ATOM 715 CD1 LEU A 49 3.393 17.391 1.323 1.00 0.00 C ATOM 716 CD2 LEU A 49 2.247 16.161 -0.555 1.00 0.00 C ATOM 0 H LEU A 49 -0.381 16.584 2.260 1.00 0.00 H new ATOM 0 HA LEU A 49 0.367 14.313 0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.881 15.867 2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.641 14.741 1.801 1.00 0.00 H new ATOM 0 HG LEU A 49 1.259 17.300 0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.579 18.204 0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.262 17.800 2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.241 16.707 1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.446 17.018 -1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.067 15.448 -0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.318 15.683 -0.866 1.00 0.00 H new ATOM 728 N ARG A 50 -0.119 13.446 3.852 1.00 0.00 N ATOM 729 CA ARG A 50 -0.456 12.207 4.606 1.00 0.00 C ATOM 730 C ARG A 50 -1.589 11.364 3.943 1.00 0.00 C ATOM 731 O ARG A 50 -1.386 10.160 3.820 1.00 0.00 O ATOM 732 CB ARG A 50 -0.760 12.445 6.101 1.00 0.00 C ATOM 733 CG ARG A 50 0.326 13.181 6.915 1.00 0.00 C ATOM 734 CD ARG A 50 -0.042 13.276 8.406 1.00 0.00 C ATOM 735 NE ARG A 50 0.951 14.073 9.170 1.00 0.00 N ATOM 736 CZ ARG A 50 2.072 13.594 9.728 1.00 0.00 C ATOM 737 NH1 ARG A 50 2.451 12.331 9.667 1.00 0.00 N ATOM 738 NH2 ARG A 50 2.837 14.436 10.373 1.00 0.00 N ATOM 0 H ARG A 50 -0.369 14.308 4.337 1.00 0.00 H new ATOM 0 HA ARG A 50 0.461 11.620 4.557 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.686 13.015 6.175 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.942 11.478 6.570 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.277 12.659 6.808 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.466 14.184 6.511 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.028 13.729 8.509 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.106 12.273 8.829 1.00 0.00 H new ATOM 0 HE ARG A 50 0.764 15.070 9.280 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.877 11.650 9.171 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.318 12.037 10.116 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.572 15.419 10.438 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.698 14.110 10.811 1.00 0.00 H new ATOM 751 N THR A 51 -2.730 11.930 3.475 1.00 0.00 N ATOM 752 CA THR A 51 -3.744 11.153 2.692 1.00 0.00 C ATOM 753 C THR A 51 -3.207 10.506 1.379 1.00 0.00 C ATOM 754 O THR A 51 -3.423 9.313 1.169 1.00 0.00 O ATOM 755 CB THR A 51 -5.106 11.898 2.524 1.00 0.00 C ATOM 756 OG1 THR A 51 -6.137 10.937 2.366 1.00 0.00 O ATOM 757 CG2 THR A 51 -5.279 12.864 1.344 1.00 0.00 C ATOM 0 H THR A 51 -2.976 12.909 3.620 1.00 0.00 H new ATOM 0 HA THR A 51 -3.965 10.293 3.324 1.00 0.00 H new ATOM 0 HB THR A 51 -5.144 12.510 3.425 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.773 11.248 1.689 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.279 13.297 1.372 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.537 13.659 1.413 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.144 12.322 0.408 1.00 0.00 H new ATOM 765 N GLN A 52 -2.463 11.247 0.538 1.00 0.00 N ATOM 766 CA GLN A 52 -1.734 10.679 -0.626 1.00 0.00 C ATOM 767 C GLN A 52 -0.752 9.516 -0.283 1.00 0.00 C ATOM 768 O GLN A 52 -0.850 8.443 -0.883 1.00 0.00 O ATOM 769 CB GLN A 52 -1.072 11.820 -1.448 1.00 0.00 C ATOM 770 CG GLN A 52 -2.032 12.848 -2.105 1.00 0.00 C ATOM 771 CD GLN A 52 -2.890 12.296 -3.254 1.00 0.00 C ATOM 772 OE1 GLN A 52 -2.421 12.103 -4.373 1.00 0.00 O ATOM 773 NE2 GLN A 52 -4.161 12.033 -3.019 1.00 0.00 N ATOM 0 H GLN A 52 -2.346 12.255 0.640 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.480 10.189 -1.252 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.390 12.361 -0.792 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.467 11.368 -2.234 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.694 13.246 -1.336 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.442 13.684 -2.482 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.552 12.193 -2.090 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.753 11.670 -3.766 1.00 0.00 H new ATOM 782 N PHE A 53 0.118 9.696 0.727 1.00 0.00 N ATOM 783 CA PHE A 53 0.966 8.597 1.270 1.00 0.00 C ATOM 784 C PHE A 53 0.190 7.385 1.892 1.00 0.00 C ATOM 785 O PHE A 53 0.387 6.261 1.433 1.00 0.00 O ATOM 786 CB PHE A 53 2.023 9.236 2.220 1.00 0.00 C ATOM 787 CG PHE A 53 3.061 8.269 2.820 1.00 0.00 C ATOM 788 CD1 PHE A 53 4.126 7.798 2.045 1.00 0.00 C ATOM 789 CD2 PHE A 53 2.929 7.830 4.143 1.00 0.00 C ATOM 790 CE1 PHE A 53 5.043 6.898 2.585 1.00 0.00 C ATOM 791 CE2 PHE A 53 3.847 6.932 4.681 1.00 0.00 C ATOM 792 CZ PHE A 53 4.903 6.467 3.901 1.00 0.00 C ATOM 0 H PHE A 53 0.259 10.593 1.191 1.00 0.00 H new ATOM 0 HA PHE A 53 1.468 8.110 0.434 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.554 10.013 1.670 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.497 9.727 3.039 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.238 8.133 1.024 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.111 8.190 4.749 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.862 6.535 1.982 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.740 6.596 5.702 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.615 5.770 4.318 1.00 0.00 H new ATOM 802 N PHE A 54 -0.663 7.594 2.911 1.00 0.00 N ATOM 803 CA PHE A 54 -1.435 6.520 3.589 1.00 0.00 C ATOM 804 C PHE A 54 -2.433 5.708 2.701 1.00 0.00 C ATOM 805 O PHE A 54 -2.514 4.486 2.851 1.00 0.00 O ATOM 806 CB PHE A 54 -2.128 7.110 4.854 1.00 0.00 C ATOM 807 CG PHE A 54 -1.252 7.142 6.120 1.00 0.00 C ATOM 808 CD1 PHE A 54 -0.368 8.200 6.362 1.00 0.00 C ATOM 809 CD2 PHE A 54 -1.344 6.102 7.053 1.00 0.00 C ATOM 810 CE1 PHE A 54 0.406 8.221 7.519 1.00 0.00 C ATOM 811 CE2 PHE A 54 -0.571 6.125 8.212 1.00 0.00 C ATOM 812 CZ PHE A 54 0.303 7.184 8.443 1.00 0.00 C ATOM 0 H PHE A 54 -0.842 8.521 3.296 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.701 5.763 3.866 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.455 8.126 4.631 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.024 6.526 5.065 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.286 9.005 5.647 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.018 5.277 6.873 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.086 9.041 7.700 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.650 5.322 8.930 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.903 7.201 9.341 1.00 0.00 H new ATOM 822 N ILE A 55 -3.148 6.366 1.767 1.00 0.00 N ATOM 823 CA ILE A 55 -3.949 5.680 0.709 1.00 0.00 C ATOM 824 C ILE A 55 -3.047 4.855 -0.287 1.00 0.00 C ATOM 825 O ILE A 55 -3.411 3.714 -0.590 1.00 0.00 O ATOM 826 CB ILE A 55 -4.932 6.682 -0.005 1.00 0.00 C ATOM 827 CG1 ILE A 55 -5.880 7.457 0.961 1.00 0.00 C ATOM 828 CG2 ILE A 55 -5.853 5.957 -1.016 1.00 0.00 C ATOM 829 CD1 ILE A 55 -6.642 8.650 0.346 1.00 0.00 C ATOM 0 H ILE A 55 -3.193 7.384 1.716 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.578 4.936 1.199 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.260 7.388 -0.493 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.609 6.754 1.364 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.290 7.822 1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.517 6.681 -1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.245 5.471 -1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.447 5.207 -0.494 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.269 9.113 1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.928 9.383 -0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.267 8.298 -0.475 1.00 0.00 H new ATOM 841 N VAL A 56 -1.889 5.380 -0.767 1.00 0.00 N ATOM 842 CA VAL A 56 -0.914 4.583 -1.582 1.00 0.00 C ATOM 843 C VAL A 56 -0.298 3.369 -0.798 1.00 0.00 C ATOM 844 O VAL A 56 -0.305 2.270 -1.347 1.00 0.00 O ATOM 845 CB VAL A 56 0.134 5.532 -2.271 1.00 0.00 C ATOM 846 CG1 VAL A 56 1.318 4.814 -2.965 1.00 0.00 C ATOM 847 CG2 VAL A 56 -0.512 6.444 -3.346 1.00 0.00 C ATOM 0 H VAL A 56 -1.602 6.346 -0.609 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.461 4.098 -2.391 1.00 0.00 H new ATOM 0 HB VAL A 56 0.516 6.107 -1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.983 5.555 -3.409 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.868 4.226 -2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.937 4.155 -3.745 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.253 7.080 -3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.967 5.827 -4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.277 7.067 -2.882 1.00 0.00 H new ATOM 857 N MET A 57 0.191 3.523 0.448 1.00 0.00 N ATOM 858 CA MET A 57 0.733 2.406 1.275 1.00 0.00 C ATOM 859 C MET A 57 -0.190 1.154 1.465 1.00 0.00 C ATOM 860 O MET A 57 0.287 0.027 1.286 1.00 0.00 O ATOM 861 CB MET A 57 1.224 2.961 2.641 1.00 0.00 C ATOM 862 CG MET A 57 2.494 3.834 2.586 1.00 0.00 C ATOM 863 SD MET A 57 3.926 2.869 2.052 1.00 0.00 S ATOM 864 CE MET A 57 4.520 2.218 3.625 1.00 0.00 C ATOM 0 H MET A 57 0.225 4.427 0.919 1.00 0.00 H new ATOM 0 HA MET A 57 1.563 2.006 0.693 1.00 0.00 H new ATOM 0 HB2 MET A 57 0.420 3.548 3.085 1.00 0.00 H new ATOM 0 HB3 MET A 57 1.411 2.120 3.309 1.00 0.00 H new ATOM 0 HG2 MET A 57 2.337 4.667 1.900 1.00 0.00 H new ATOM 0 HG3 MET A 57 2.687 4.263 3.569 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.402 1.601 3.454 1.00 0.00 H new ATOM 0 HE2 MET A 57 4.778 3.045 4.287 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.739 1.614 4.087 1.00 0.00 H new ATOM 874 N GLY A 58 -1.504 1.341 1.741 1.00 0.00 N ATOM 875 CA GLY A 58 -2.503 0.261 1.653 1.00 0.00 C ATOM 876 C GLY A 58 -2.618 -0.310 0.234 1.00 0.00 C ATOM 877 O GLY A 58 -2.166 -1.432 0.032 1.00 0.00 O ATOM 0 H GLY A 58 -1.893 2.239 2.028 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.233 -0.538 2.343 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.474 0.641 1.970 1.00 0.00 H new ATOM 881 N LEU A 59 -3.117 0.440 -0.766 1.00 0.00 N ATOM 882 CA LEU A 59 -3.195 -0.059 -2.180 1.00 0.00 C ATOM 883 C LEU A 59 -1.868 -0.527 -2.905 1.00 0.00 C ATOM 884 O LEU A 59 -1.928 -1.055 -4.018 1.00 0.00 O ATOM 885 CB LEU A 59 -4.017 0.987 -2.988 1.00 0.00 C ATOM 886 CG LEU A 59 -4.815 0.441 -4.206 1.00 0.00 C ATOM 887 CD1 LEU A 59 -6.007 -0.449 -3.783 1.00 0.00 C ATOM 888 CD2 LEU A 59 -5.322 1.600 -5.081 1.00 0.00 C ATOM 0 H LEU A 59 -3.473 1.387 -0.638 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.691 -1.029 -2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.718 1.471 -2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.334 1.759 -3.344 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.126 -0.180 -4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.530 -0.804 -4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.640 -1.303 -3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.693 0.131 -3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.878 1.200 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.974 2.243 -4.490 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.473 2.179 -5.445 1.00 0.00 H new ATOM 900 N VAL A 60 -0.699 -0.414 -2.251 1.00 0.00 N ATOM 901 CA VAL A 60 0.576 -1.088 -2.646 1.00 0.00 C ATOM 902 C VAL A 60 0.876 -2.398 -1.834 1.00 0.00 C ATOM 903 O VAL A 60 1.499 -3.297 -2.411 1.00 0.00 O ATOM 904 CB VAL A 60 1.752 -0.044 -2.688 1.00 0.00 C ATOM 905 CG1 VAL A 60 3.165 -0.642 -2.897 1.00 0.00 C ATOM 906 CG2 VAL A 60 1.561 1.028 -3.791 1.00 0.00 C ATOM 0 H VAL A 60 -0.599 0.158 -1.413 1.00 0.00 H new ATOM 0 HA VAL A 60 0.460 -1.465 -3.662 1.00 0.00 H new ATOM 0 HB VAL A 60 1.701 0.392 -1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.902 0.161 -2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.393 -1.330 -2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.196 -1.179 -3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.402 1.722 -3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.511 0.542 -4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.636 1.575 -3.610 1.00 0.00 H new ATOM 916 N ASP A 61 0.382 -2.602 -0.587 1.00 0.00 N ATOM 917 CA ASP A 61 0.053 -3.974 -0.083 1.00 0.00 C ATOM 918 C ASP A 61 -0.858 -4.798 -1.059 1.00 0.00 C ATOM 919 O ASP A 61 -0.519 -5.946 -1.346 1.00 0.00 O ATOM 920 CB ASP A 61 -0.565 -3.932 1.341 1.00 0.00 C ATOM 921 CG ASP A 61 0.336 -3.403 2.461 1.00 0.00 C ATOM 922 OD1 ASP A 61 0.085 -2.392 3.113 1.00 0.00 O ATOM 923 OD2 ASP A 61 1.430 -4.195 2.667 1.00 0.00 O ATOM 0 H ASP A 61 0.203 -1.854 0.083 1.00 0.00 H new ATOM 0 HA ASP A 61 1.007 -4.499 -0.031 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.463 -3.315 1.305 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.882 -4.941 1.606 1.00 0.00 H new ATOM 929 N ALA A 62 -1.924 -4.203 -1.649 1.00 0.00 N ATOM 930 CA ALA A 62 -2.565 -4.730 -2.887 1.00 0.00 C ATOM 931 C ALA A 62 -1.604 -5.048 -4.069 1.00 0.00 C ATOM 932 O ALA A 62 -1.337 -6.230 -4.274 1.00 0.00 O ATOM 933 CB ALA A 62 -3.795 -3.894 -3.292 1.00 0.00 C ATOM 0 H ALA A 62 -2.362 -3.355 -1.289 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.923 -5.722 -2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.235 -4.309 -4.199 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.531 -3.917 -2.488 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.490 -2.864 -3.476 1.00 0.00 H new ATOM 939 N ILE A 63 -1.066 -4.055 -4.806 1.00 0.00 N ATOM 940 CA ILE A 63 -0.325 -4.284 -6.094 1.00 0.00 C ATOM 941 C ILE A 63 0.879 -5.294 -5.986 1.00 0.00 C ATOM 942 O ILE A 63 0.907 -6.291 -6.720 1.00 0.00 O ATOM 943 CB ILE A 63 0.027 -2.894 -6.755 1.00 0.00 C ATOM 944 CG1 ILE A 63 -1.234 -2.049 -7.134 1.00 0.00 C ATOM 945 CG2 ILE A 63 0.922 -3.016 -8.018 1.00 0.00 C ATOM 946 CD1 ILE A 63 -0.991 -0.533 -7.253 1.00 0.00 C ATOM 0 H ILE A 63 -1.124 -3.072 -4.540 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.991 -4.812 -6.777 1.00 0.00 H new ATOM 0 HB ILE A 63 0.583 -2.379 -5.972 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.625 -2.414 -8.083 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.006 -2.220 -6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.123 -2.022 -8.419 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.863 -3.497 -7.752 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.409 -3.614 -8.771 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.923 -0.035 -7.519 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.632 -0.146 -6.299 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.245 -0.344 -8.025 1.00 0.00 H new ATOM 958 N ALA A 64 1.844 -5.039 -5.077 1.00 0.00 N ATOM 959 CA ALA A 64 3.046 -5.886 -4.905 1.00 0.00 C ATOM 960 C ALA A 64 2.769 -7.346 -4.439 1.00 0.00 C ATOM 961 O ALA A 64 3.184 -8.285 -5.124 1.00 0.00 O ATOM 962 CB ALA A 64 4.031 -5.139 -3.984 1.00 0.00 C ATOM 0 H ALA A 64 1.813 -4.241 -4.442 1.00 0.00 H new ATOM 0 HA ALA A 64 3.489 -6.036 -5.890 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.926 -5.744 -3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.305 -4.187 -4.440 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.559 -4.957 -3.018 1.00 0.00 H new ATOM 968 N MET A 65 2.049 -7.543 -3.318 1.00 0.00 N ATOM 969 CA MET A 65 1.691 -8.883 -2.807 1.00 0.00 C ATOM 970 C MET A 65 0.671 -9.692 -3.673 1.00 0.00 C ATOM 971 O MET A 65 0.818 -10.915 -3.750 1.00 0.00 O ATOM 972 CB MET A 65 1.201 -8.736 -1.347 1.00 0.00 C ATOM 973 CG MET A 65 2.154 -8.114 -0.306 1.00 0.00 C ATOM 974 SD MET A 65 3.667 -9.092 -0.190 1.00 0.00 S ATOM 975 CE MET A 65 4.491 -8.240 1.166 1.00 0.00 C ATOM 0 H MET A 65 1.699 -6.779 -2.740 1.00 0.00 H new ATOM 0 HA MET A 65 2.597 -9.486 -2.862 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.291 -8.136 -1.362 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.923 -9.728 -0.990 1.00 0.00 H new ATOM 0 HG2 MET A 65 2.395 -7.089 -0.588 1.00 0.00 H new ATOM 0 HG3 MET A 65 1.664 -8.070 0.667 1.00 0.00 H new ATOM 0 HE1 MET A 65 5.448 -8.720 1.369 1.00 0.00 H new ATOM 0 HE2 MET A 65 4.658 -7.198 0.893 1.00 0.00 H new ATOM 0 HE3 MET A 65 3.866 -8.286 2.058 1.00 0.00 H new ATOM 985 N ILE A 66 -0.324 -9.052 -4.341 1.00 0.00 N ATOM 986 CA ILE A 66 -1.220 -9.739 -5.320 1.00 0.00 C ATOM 987 C ILE A 66 -0.464 -10.305 -6.563 1.00 0.00 C ATOM 988 O ILE A 66 -0.484 -11.518 -6.770 1.00 0.00 O ATOM 989 CB ILE A 66 -2.521 -8.923 -5.654 1.00 0.00 C ATOM 990 CG1 ILE A 66 -3.659 -9.885 -6.100 1.00 0.00 C ATOM 991 CG2 ILE A 66 -2.339 -7.762 -6.674 1.00 0.00 C ATOM 992 CD1 ILE A 66 -4.995 -9.213 -6.435 1.00 0.00 C ATOM 0 H ILE A 66 -0.529 -8.060 -4.222 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.590 -10.628 -4.810 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.793 -8.424 -4.724 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.321 -10.439 -6.976 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.827 -10.614 -5.307 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.296 -7.265 -6.834 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.618 -7.044 -6.283 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.976 -8.163 -7.620 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.719 -9.971 -6.734 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.366 -8.683 -5.558 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.852 -8.506 -7.252 1.00 0.00 H new ATOM 1004 N ALA A 67 0.210 -9.456 -7.360 1.00 0.00 N ATOM 1005 CA ALA A 67 0.953 -9.905 -8.566 1.00 0.00 C ATOM 1006 C ALA A 67 2.162 -10.868 -8.339 1.00 0.00 C ATOM 1007 O ALA A 67 2.297 -11.837 -9.092 1.00 0.00 O ATOM 1008 CB ALA A 67 1.345 -8.626 -9.326 1.00 0.00 C ATOM 0 H ALA A 67 0.259 -8.451 -7.195 1.00 0.00 H new ATOM 0 HA ALA A 67 0.292 -10.551 -9.144 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.897 -8.893 -10.227 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.445 -8.076 -9.601 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.971 -8.002 -8.689 1.00 0.00 H new ATOM 1014 N VAL A 68 2.992 -10.652 -7.298 1.00 0.00 N ATOM 1015 CA VAL A 68 4.065 -11.621 -6.895 1.00 0.00 C ATOM 1016 C VAL A 68 3.475 -12.980 -6.371 1.00 0.00 C ATOM 1017 O VAL A 68 3.878 -14.037 -6.871 1.00 0.00 O ATOM 1018 CB VAL A 68 5.099 -10.946 -5.921 1.00 0.00 C ATOM 1019 CG1 VAL A 68 6.206 -11.904 -5.411 1.00 0.00 C ATOM 1020 CG2 VAL A 68 5.821 -9.722 -6.539 1.00 0.00 C ATOM 0 H VAL A 68 2.950 -9.818 -6.712 1.00 0.00 H new ATOM 0 HA VAL A 68 4.629 -11.895 -7.787 1.00 0.00 H new ATOM 0 HB VAL A 68 4.468 -10.635 -5.089 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.878 -11.362 -4.745 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.749 -12.732 -4.870 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.770 -12.292 -6.259 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.519 -9.306 -5.812 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.367 -10.033 -7.430 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.086 -8.964 -6.810 1.00 0.00 H new ATOM 1030 N GLY A 69 2.541 -12.967 -5.397 1.00 0.00 N ATOM 1031 CA GLY A 69 1.910 -14.207 -4.879 1.00 0.00 C ATOM 1032 C GLY A 69 0.975 -15.013 -5.807 1.00 0.00 C ATOM 1033 O GLY A 69 1.062 -16.243 -5.822 1.00 0.00 O ATOM 0 H GLY A 69 2.205 -12.113 -4.951 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.710 -14.874 -4.557 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.340 -13.940 -3.989 1.00 0.00 H new ATOM 1037 N LEU A 70 0.099 -14.341 -6.576 1.00 0.00 N ATOM 1038 CA LEU A 70 -0.735 -14.998 -7.623 1.00 0.00 C ATOM 1039 C LEU A 70 0.099 -15.550 -8.819 1.00 0.00 C ATOM 1040 O LEU A 70 -0.117 -16.698 -9.208 1.00 0.00 O ATOM 1041 CB LEU A 70 -1.860 -14.021 -8.064 1.00 0.00 C ATOM 1042 CG LEU A 70 -3.023 -14.618 -8.904 1.00 0.00 C ATOM 1043 CD1 LEU A 70 -3.886 -15.621 -8.110 1.00 0.00 C ATOM 1044 CD2 LEU A 70 -3.920 -13.490 -9.448 1.00 0.00 C ATOM 0 H LEU A 70 -0.057 -13.336 -6.498 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.195 -15.886 -7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.286 -13.569 -7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.403 -13.217 -8.641 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.562 -15.165 -9.727 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.681 -16.003 -8.750 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.263 -16.449 -7.772 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.324 -15.120 -7.247 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.731 -13.921 -10.035 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.336 -12.923 -8.616 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.328 -12.827 -10.079 1.00 0.00 H new ATOM 1056 N GLY A 71 1.091 -14.792 -9.332 1.00 0.00 N ATOM 1057 CA GLY A 71 2.188 -15.352 -10.166 1.00 0.00 C ATOM 1058 C GLY A 71 2.874 -16.662 -9.692 1.00 0.00 C ATOM 1059 O GLY A 71 3.000 -17.586 -10.498 1.00 0.00 O ATOM 0 H GLY A 71 1.159 -13.785 -9.185 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.790 -15.527 -11.166 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.959 -14.587 -10.259 1.00 0.00 H new ATOM 1063 N LEU A 72 3.284 -16.763 -8.408 1.00 0.00 N ATOM 1064 CA LEU A 72 3.938 -17.980 -7.871 1.00 0.00 C ATOM 1065 C LEU A 72 3.011 -19.228 -7.695 1.00 0.00 C ATOM 1066 O LEU A 72 3.290 -20.286 -8.262 1.00 0.00 O ATOM 1067 CB LEU A 72 4.706 -17.651 -6.562 1.00 0.00 C ATOM 1068 CG LEU A 72 5.957 -18.536 -6.363 1.00 0.00 C ATOM 1069 CD1 LEU A 72 7.146 -18.115 -7.251 1.00 0.00 C ATOM 1070 CD2 LEU A 72 6.401 -18.542 -4.894 1.00 0.00 C ATOM 0 H LEU A 72 3.174 -16.016 -7.722 1.00 0.00 H new ATOM 0 HA LEU A 72 4.642 -18.287 -8.645 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.006 -16.603 -6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.037 -17.779 -5.711 1.00 0.00 H new ATOM 0 HG LEU A 72 5.658 -19.540 -6.664 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.992 -18.776 -7.063 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.858 -18.183 -8.300 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.429 -17.088 -7.018 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.283 -19.173 -4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.640 -17.525 -4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.595 -18.932 -4.272 1.00 0.00 H new ATOM 1082 N TYR A 73 1.909 -19.084 -6.932 1.00 0.00 N ATOM 1083 CA TYR A 73 0.755 -20.029 -6.905 1.00 0.00 C ATOM 1084 C TYR A 73 0.278 -20.624 -8.268 1.00 0.00 C ATOM 1085 O TYR A 73 0.041 -21.829 -8.364 1.00 0.00 O ATOM 1086 CB TYR A 73 -0.381 -19.268 -6.158 1.00 0.00 C ATOM 1087 CG TYR A 73 -1.711 -20.018 -5.949 1.00 0.00 C ATOM 1088 CD1 TYR A 73 -1.801 -21.074 -5.039 1.00 0.00 C ATOM 1089 CD2 TYR A 73 -2.846 -19.641 -6.676 1.00 0.00 C ATOM 1090 CE1 TYR A 73 -3.012 -21.731 -4.839 1.00 0.00 C ATOM 1091 CE2 TYR A 73 -4.060 -20.291 -6.465 1.00 0.00 C ATOM 1092 CZ TYR A 73 -4.142 -21.336 -5.549 1.00 0.00 C ATOM 1093 OH TYR A 73 -5.334 -21.979 -5.344 1.00 0.00 O ATOM 0 H TYR A 73 1.786 -18.293 -6.300 1.00 0.00 H new ATOM 0 HA TYR A 73 1.076 -20.940 -6.399 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.003 -18.972 -5.180 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.593 -18.352 -6.709 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.926 -21.383 -4.487 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.781 -18.844 -7.402 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.075 -22.546 -4.134 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.939 -19.984 -7.013 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.023 -21.581 -5.916 1.00 0.00 H new ATOM 1103 N VAL A 74 0.144 -19.767 -9.288 1.00 0.00 N ATOM 1104 CA VAL A 74 -0.260 -20.179 -10.666 1.00 0.00 C ATOM 1105 C VAL A 74 0.894 -20.914 -11.436 1.00 0.00 C ATOM 1106 O VAL A 74 0.627 -21.958 -12.038 1.00 0.00 O ATOM 1107 CB VAL A 74 -0.946 -18.994 -11.434 1.00 0.00 C ATOM 1108 CG1 VAL A 74 -1.318 -19.325 -12.898 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -2.253 -18.505 -10.757 1.00 0.00 C ATOM 0 H VAL A 74 0.310 -18.765 -9.196 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.033 -20.944 -10.588 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.180 -18.219 -11.409 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.787 -18.456 -13.360 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.417 -19.588 -13.452 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.013 -20.165 -12.916 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.678 -17.685 -11.336 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.968 -19.326 -10.711 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.032 -18.159 -9.747 1.00 0.00 H new ATOM 1119 N MET A 75 2.154 -20.428 -11.386 1.00 0.00 N ATOM 1120 CA MET A 75 3.357 -21.199 -11.824 1.00 0.00 C ATOM 1121 C MET A 75 3.494 -22.637 -11.214 1.00 0.00 C ATOM 1122 O MET A 75 3.667 -23.587 -11.980 1.00 0.00 O ATOM 1123 CB MET A 75 4.599 -20.287 -11.602 1.00 0.00 C ATOM 1124 CG MET A 75 5.964 -20.866 -12.023 1.00 0.00 C ATOM 1125 SD MET A 75 6.594 -21.951 -10.718 1.00 0.00 S ATOM 1126 CE MET A 75 7.290 -23.308 -11.677 1.00 0.00 C ATOM 0 H MET A 75 2.374 -19.493 -11.043 1.00 0.00 H new ATOM 0 HA MET A 75 3.254 -21.436 -12.883 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.441 -19.357 -12.148 1.00 0.00 H new ATOM 0 HB3 MET A 75 4.649 -20.031 -10.544 1.00 0.00 H new ATOM 0 HG2 MET A 75 5.862 -21.423 -12.955 1.00 0.00 H new ATOM 0 HG3 MET A 75 6.671 -20.058 -12.210 1.00 0.00 H new ATOM 0 HE1 MET A 75 7.714 -24.051 -11.001 1.00 0.00 H new ATOM 0 HE2 MET A 75 6.506 -23.769 -12.278 1.00 0.00 H new ATOM 0 HE3 MET A 75 8.072 -22.926 -12.333 1.00 0.00 H new ATOM 1136 N PHE A 76 3.388 -22.805 -9.882 1.00 0.00 N ATOM 1137 CA PHE A 76 3.394 -24.147 -9.227 1.00 0.00 C ATOM 1138 C PHE A 76 2.147 -25.055 -9.484 1.00 0.00 C ATOM 1139 O PHE A 76 2.312 -26.267 -9.652 1.00 0.00 O ATOM 1140 CB PHE A 76 3.651 -23.994 -7.703 1.00 0.00 C ATOM 1141 CG PHE A 76 5.032 -23.494 -7.236 1.00 0.00 C ATOM 1142 CD1 PHE A 76 6.205 -24.130 -7.670 1.00 0.00 C ATOM 1143 CD2 PHE A 76 5.120 -22.478 -6.277 1.00 0.00 C ATOM 1144 CE1 PHE A 76 7.443 -23.746 -7.162 1.00 0.00 C ATOM 1145 CE2 PHE A 76 6.363 -22.111 -5.762 1.00 0.00 C ATOM 1146 CZ PHE A 76 7.521 -22.739 -6.206 1.00 0.00 C ATOM 0 H PHE A 76 3.296 -22.029 -9.227 1.00 0.00 H new ATOM 0 HA PHE A 76 4.210 -24.682 -9.713 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.900 -23.310 -7.307 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.475 -24.964 -7.238 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.147 -24.922 -8.402 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.225 -21.978 -5.936 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.343 -24.230 -7.510 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.426 -21.335 -5.014 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.481 -22.445 -5.809 1.00 0.00 H new ATOM 1156 N ALA A 77 0.927 -24.491 -9.526 1.00 0.00 N ATOM 1157 CA ALA A 77 -0.303 -25.230 -9.932 1.00 0.00 C ATOM 1158 C ALA A 77 -0.330 -25.759 -11.404 1.00 0.00 C ATOM 1159 O ALA A 77 -0.713 -26.912 -11.618 1.00 0.00 O ATOM 1160 CB ALA A 77 -1.520 -24.334 -9.630 1.00 0.00 C ATOM 0 H ALA A 77 0.756 -23.515 -9.283 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.325 -26.148 -9.345 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.434 -24.853 -9.919 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.551 -24.110 -8.564 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.437 -23.405 -10.194 1.00 0.00 H new ATOM 1166 N VAL A 78 0.094 -24.951 -12.398 1.00 0.00 N ATOM 1167 CA VAL A 78 0.267 -25.398 -13.814 1.00 0.00 C ATOM 1168 C VAL A 78 1.501 -26.354 -13.970 1.00 0.00 C ATOM 1169 O VAL A 78 1.334 -27.510 -14.366 1.00 0.00 O ATOM 1170 CB VAL A 78 0.245 -24.167 -14.795 1.00 0.00 C ATOM 1171 CG1 VAL A 78 0.457 -24.552 -16.280 1.00 0.00 C ATOM 1172 CG2 VAL A 78 -1.064 -23.338 -14.730 1.00 0.00 C ATOM 0 H VAL A 78 0.328 -23.969 -12.251 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.586 -26.010 -14.106 1.00 0.00 H new ATOM 0 HB VAL A 78 1.083 -23.567 -14.440 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.429 -23.653 -16.896 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.424 -25.041 -16.395 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.333 -25.233 -16.596 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.004 -22.508 -15.434 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.910 -23.974 -14.990 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.199 -22.949 -13.721 1.00 0.00 H new ATOM 1182 N ALA A 79 2.712 -25.865 -13.655 1.00 0.00 N ATOM 1183 CA ALA A 79 3.951 -26.673 -13.639 1.00 0.00 C ATOM 1184 C ALA A 79 4.371 -26.889 -12.172 1.00 0.00 C ATOM 1185 O ALA A 79 5.377 -26.410 -11.644 1.00 0.00 O ATOM 1186 CB ALA A 79 5.007 -25.947 -14.494 1.00 0.00 C ATOM 0 H ALA A 79 2.864 -24.889 -13.401 1.00 0.00 H new ATOM 0 HA ALA A 79 3.815 -27.663 -14.075 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.932 -26.524 -14.498 1.00 0.00 H new ATOM 0 HB2 ALA A 79 4.640 -25.843 -15.515 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.198 -24.959 -14.075 1.00 0.00 H new TER 1192 ALA A 79