USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 616 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 3 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.6) USER MOD Set 1.2: A 6 MET CE :methyl -132:sc=-0.000133 (180deg=-1.59) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -139:sc= -0.0097 (180deg=-0.498) USER MOD Single : A 5 ASN : amide:sc=-0.00303 K(o=-0.003,f=-0.55) 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 -156:sc= -10.1! (180deg=-11.1!) USER MOD Single : A 17 MET CE :methyl -177:sc= -2.59 (180deg=-2.71!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.0011 X(o=-0.0011,f=0) USER MOD Single : A 51 THR OG1 : rot 66:sc= 1.17 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 57 MET CE :methyl -158:sc= -3.52! (180deg=-3.84!) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= -0.338 USER MOD Single : A 75 MET CE :methyl -162:sc= -0.214 (180deg=-0.85) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.449 -29.906 1.394 1.00 0.00 N ATOM 2 CA MET A 1 -6.268 -29.050 1.108 1.00 0.00 C ATOM 3 C MET A 1 -5.867 -29.147 -0.363 1.00 0.00 C ATOM 4 O MET A 1 -6.648 -29.607 -1.194 1.00 0.00 O ATOM 5 CB MET A 1 -5.113 -29.502 2.004 1.00 0.00 C ATOM 6 CG MET A 1 -5.463 -29.523 3.482 1.00 0.00 C ATOM 7 SD MET A 1 -5.949 -27.902 4.105 1.00 0.00 S ATOM 8 CE MET A 1 -6.278 -28.285 5.824 1.00 0.00 C ATOM 0 H1 MET A 1 -8.098 -29.401 2.030 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.940 -30.129 0.505 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.137 -30.788 1.848 1.00 0.00 H new ATOM 0 HA MET A 1 -6.516 -28.009 1.314 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.797 -30.500 1.700 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.263 -28.838 1.850 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.275 -30.230 3.649 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.605 -29.883 4.049 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.591 -27.380 6.345 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.070 -29.031 5.885 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.374 -28.677 6.289 1.00 0.00 H new ATOM 20 N GLU A 2 -4.646 -28.701 -0.668 1.00 0.00 N ATOM 21 CA GLU A 2 -4.109 -28.723 -2.033 1.00 0.00 C ATOM 22 C GLU A 2 -4.548 -27.491 -2.825 1.00 0.00 C ATOM 23 O GLU A 2 -3.828 -27.027 -3.710 1.00 0.00 O ATOM 24 CB GLU A 2 -4.524 -29.997 -2.780 1.00 0.00 C ATOM 25 CG GLU A 2 -4.159 -31.277 -2.047 1.00 0.00 C ATOM 26 CD GLU A 2 -4.577 -32.522 -2.804 1.00 0.00 C ATOM 27 OE1 GLU A 2 -4.102 -32.711 -3.944 1.00 0.00 O ATOM 28 OE2 GLU A 2 -5.382 -33.307 -2.259 1.00 0.00 O ATOM 0 H GLU A 2 -4.002 -28.315 0.022 1.00 0.00 H new ATOM 0 HA GLU A 2 -3.023 -28.712 -1.945 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.601 -29.977 -2.945 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.051 -30.003 -3.762 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.082 -31.302 -1.881 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.633 -31.277 -1.065 1.00 0.00 H new ATOM 35 N ASN A 3 -5.726 -26.964 -2.507 1.00 0.00 N ATOM 36 CA ASN A 3 -6.245 -25.787 -3.196 1.00 0.00 C ATOM 37 C ASN A 3 -6.441 -24.626 -2.228 1.00 0.00 C ATOM 38 O ASN A 3 -6.244 -23.465 -2.590 1.00 0.00 O ATOM 39 CB ASN A 3 -7.566 -26.116 -3.891 1.00 0.00 C ATOM 40 CG ASN A 3 -7.419 -27.216 -4.924 1.00 0.00 C ATOM 41 OD1 ASN A 3 -7.024 -28.337 -4.602 1.00 0.00 O ATOM 42 ND2 ASN A 3 -7.736 -26.901 -6.175 1.00 0.00 N ATOM 0 H ASN A 3 -6.338 -27.332 -1.779 1.00 0.00 H new ATOM 0 HA ASN A 3 -5.513 -25.488 -3.946 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.300 -26.419 -3.144 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -7.953 -25.218 -4.373 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -7.656 -27.601 -6.913 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -8.059 -25.960 -6.398 1.00 0.00 H new ATOM 49 N LEU A 4 -6.813 -24.943 -0.993 1.00 0.00 N ATOM 50 CA LEU A 4 -7.016 -23.923 0.026 1.00 0.00 C ATOM 51 C LEU A 4 -5.687 -23.270 0.370 1.00 0.00 C ATOM 52 O LEU A 4 -5.639 -22.146 0.870 1.00 0.00 O ATOM 53 CB LEU A 4 -7.659 -24.542 1.273 1.00 0.00 C ATOM 54 CG LEU A 4 -8.007 -23.567 2.403 1.00 0.00 C ATOM 55 CD1 LEU A 4 -6.751 -23.088 3.118 1.00 0.00 C ATOM 56 CD2 LEU A 4 -8.797 -22.385 1.861 1.00 0.00 C ATOM 0 H LEU A 4 -6.980 -25.898 -0.675 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.690 -23.158 -0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.571 -25.056 0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.982 -25.299 1.669 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.626 -24.096 3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.027 -22.397 3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.226 -23.943 3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.099 -22.580 2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.036 -21.702 2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.202 -21.862 1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.720 -22.743 1.405 1.00 0.00 H new ATOM 68 N ASN A 5 -4.606 -23.984 0.085 1.00 0.00 N ATOM 69 CA ASN A 5 -3.278 -23.489 0.350 1.00 0.00 C ATOM 70 C ASN A 5 -2.961 -22.333 -0.580 1.00 0.00 C ATOM 71 O ASN A 5 -2.824 -21.189 -0.145 1.00 0.00 O ATOM 72 CB ASN A 5 -2.257 -24.609 0.174 1.00 0.00 C ATOM 73 CG ASN A 5 -0.914 -24.262 0.779 1.00 0.00 C ATOM 74 OD1 ASN A 5 -0.207 -23.377 0.295 1.00 0.00 O ATOM 75 ND2 ASN A 5 -0.567 -24.950 1.857 1.00 0.00 N ATOM 0 H ASN A 5 -4.633 -24.914 -0.333 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.230 -23.133 1.379 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.637 -25.520 0.637 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.131 -24.819 -0.888 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.319 -24.755 2.323 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -1.186 -25.674 2.221 1.00 0.00 H new ATOM 82 N MET A 6 -2.868 -22.635 -1.870 1.00 0.00 N ATOM 83 CA MET A 6 -2.596 -21.619 -2.869 1.00 0.00 C ATOM 84 C MET A 6 -3.589 -20.474 -2.725 1.00 0.00 C ATOM 85 O MET A 6 -3.281 -19.323 -3.031 1.00 0.00 O ATOM 86 CB MET A 6 -2.696 -22.214 -4.276 1.00 0.00 C ATOM 87 CG MET A 6 -4.089 -22.711 -4.627 1.00 0.00 C ATOM 88 SD MET A 6 -4.179 -23.410 -6.287 1.00 0.00 S ATOM 89 CE MET A 6 -5.907 -23.876 -6.365 1.00 0.00 C ATOM 0 H MET A 6 -2.978 -23.577 -2.245 1.00 0.00 H new ATOM 0 HA MET A 6 -1.584 -21.242 -2.717 1.00 0.00 H new ATOM 0 HB2 MET A 6 -2.394 -21.460 -5.003 1.00 0.00 H new ATOM 0 HB3 MET A 6 -1.991 -23.041 -4.363 1.00 0.00 H new ATOM 0 HG2 MET A 6 -4.395 -23.465 -3.902 1.00 0.00 H new ATOM 0 HG3 MET A 6 -4.796 -21.886 -4.546 1.00 0.00 H new ATOM 0 HE1 MET A 6 -5.992 -24.896 -6.739 1.00 0.00 H new ATOM 0 HE2 MET A 6 -6.345 -23.817 -5.369 1.00 0.00 H new ATOM 0 HE3 MET A 6 -6.437 -23.199 -7.035 1.00 0.00 H new ATOM 99 N ASP A 7 -4.788 -20.811 -2.252 1.00 0.00 N ATOM 100 CA ASP A 7 -5.846 -19.827 -2.068 1.00 0.00 C ATOM 101 C ASP A 7 -5.525 -18.877 -0.920 1.00 0.00 C ATOM 102 O ASP A 7 -5.631 -17.661 -1.062 1.00 0.00 O ATOM 103 CB ASP A 7 -7.179 -20.528 -1.806 1.00 0.00 C ATOM 104 CG ASP A 7 -8.328 -19.551 -1.643 1.00 0.00 C ATOM 105 OD1 ASP A 7 -8.266 -18.710 -0.721 1.00 0.00 O ATOM 106 OD2 ASP A 7 -9.289 -19.626 -2.437 1.00 0.00 O ATOM 0 H ASP A 7 -5.048 -21.762 -1.989 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.921 -19.241 -2.984 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.397 -21.206 -2.631 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -7.094 -21.138 -0.906 1.00 0.00 H new ATOM 111 N LEU A 8 -5.141 -19.438 0.218 1.00 0.00 N ATOM 112 CA LEU A 8 -4.817 -18.636 1.389 1.00 0.00 C ATOM 113 C LEU A 8 -3.635 -17.712 1.109 1.00 0.00 C ATOM 114 O LEU A 8 -3.744 -16.493 1.242 1.00 0.00 O ATOM 115 CB LEU A 8 -4.508 -19.546 2.583 1.00 0.00 C ATOM 116 CG LEU A 8 -4.308 -18.833 3.926 1.00 0.00 C ATOM 117 CD1 LEU A 8 -3.036 -17.996 3.914 1.00 0.00 C ATOM 118 CD2 LEU A 8 -5.513 -17.964 4.250 1.00 0.00 C ATOM 0 H LEU A 8 -5.046 -20.444 0.355 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.682 -18.017 1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.322 -20.263 2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.607 -20.117 2.358 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.207 -19.592 4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.917 -17.501 4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.177 -18.642 3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.102 -17.246 3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.355 -17.465 5.206 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.643 -17.216 3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.406 -18.587 4.309 1.00 0.00 H new ATOM 130 N LEU A 9 -2.504 -18.297 0.733 1.00 0.00 N ATOM 131 CA LEU A 9 -1.302 -17.519 0.450 1.00 0.00 C ATOM 132 C LEU A 9 -1.550 -16.463 -0.626 1.00 0.00 C ATOM 133 O LEU A 9 -1.340 -15.271 -0.389 1.00 0.00 O ATOM 134 CB LEU A 9 -0.150 -18.441 0.045 1.00 0.00 C ATOM 135 CG LEU A 9 0.303 -19.414 1.139 1.00 0.00 C ATOM 136 CD1 LEU A 9 1.520 -20.204 0.686 1.00 0.00 C ATOM 137 CD2 LEU A 9 0.604 -18.665 2.428 1.00 0.00 C ATOM 0 H LEU A 9 -2.393 -19.304 0.617 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.027 -16.994 1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.452 -19.015 -0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.701 -17.828 -0.253 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.509 -20.116 1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.825 -20.888 1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.272 -20.773 -0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.338 -19.518 0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.924 -19.372 3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.397 -17.939 2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.293 -18.147 2.766 1.00 0.00 H new ATOM 149 N TYR A 10 -2.003 -16.887 -1.804 1.00 0.00 N ATOM 150 CA TYR A 10 -2.271 -15.939 -2.881 1.00 0.00 C ATOM 151 C TYR A 10 -3.262 -14.878 -2.432 1.00 0.00 C ATOM 152 O TYR A 10 -3.001 -13.680 -2.553 1.00 0.00 O ATOM 153 CB TYR A 10 -2.791 -16.651 -4.125 1.00 0.00 C ATOM 154 CG TYR A 10 -1.694 -17.267 -4.958 1.00 0.00 C ATOM 155 CD1 TYR A 10 -0.865 -18.260 -4.448 1.00 0.00 C ATOM 156 CD2 TYR A 10 -1.480 -16.840 -6.259 1.00 0.00 C ATOM 157 CE1 TYR A 10 0.141 -18.806 -5.216 1.00 0.00 C ATOM 158 CE2 TYR A 10 -0.476 -17.382 -7.032 1.00 0.00 C ATOM 159 CZ TYR A 10 0.334 -18.365 -6.507 1.00 0.00 C ATOM 160 OH TYR A 10 1.337 -18.908 -7.276 1.00 0.00 O ATOM 0 H TYR A 10 -2.189 -17.863 -2.034 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.329 -15.452 -3.134 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.491 -17.430 -3.824 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.348 -15.941 -4.736 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.011 -18.608 -3.436 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.111 -16.069 -6.675 1.00 0.00 H new ATOM 0 HE1 TYR A 10 0.776 -19.578 -4.807 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.325 -17.038 -8.044 1.00 0.00 H new ATOM 0 HH TYR A 10 1.336 -18.486 -8.160 1.00 0.00 H new ATOM 170 N MET A 11 -4.392 -15.316 -1.888 1.00 0.00 N ATOM 171 CA MET A 11 -5.400 -14.386 -1.400 1.00 0.00 C ATOM 172 C MET A 11 -4.782 -13.453 -0.367 1.00 0.00 C ATOM 173 O MET A 11 -5.270 -12.347 -0.140 1.00 0.00 O ATOM 174 CB MET A 11 -6.579 -15.142 -0.787 1.00 0.00 C ATOM 175 CG MET A 11 -7.680 -14.232 -0.263 1.00 0.00 C ATOM 176 SD MET A 11 -9.057 -15.149 0.453 1.00 0.00 S ATOM 177 CE MET A 11 -10.137 -13.807 0.945 1.00 0.00 C ATOM 0 H MET A 11 -4.631 -16.301 -1.775 1.00 0.00 H new ATOM 0 HA MET A 11 -5.769 -13.798 -2.240 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.999 -15.812 -1.537 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.215 -15.765 0.030 1.00 0.00 H new ATOM 0 HG2 MET A 11 -7.265 -13.562 0.490 1.00 0.00 H new ATOM 0 HG3 MET A 11 -8.048 -13.608 -1.077 1.00 0.00 H new ATOM 0 HE1 MET A 11 -11.037 -14.214 1.406 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.620 -13.168 1.660 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.412 -13.221 0.068 1.00 0.00 H new ATOM 187 N ALA A 12 -3.692 -13.908 0.250 1.00 0.00 N ATOM 188 CA ALA A 12 -2.998 -13.123 1.246 1.00 0.00 C ATOM 189 C ALA A 12 -2.254 -11.969 0.591 1.00 0.00 C ATOM 190 O ALA A 12 -2.316 -10.842 1.061 1.00 0.00 O ATOM 191 CB ALA A 12 -2.035 -13.992 2.040 1.00 0.00 C ATOM 0 H ALA A 12 -3.276 -14.822 0.070 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.738 -12.713 1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.523 -13.382 2.784 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.589 -14.786 2.541 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.301 -14.432 1.365 1.00 0.00 H new ATOM 197 N ALA A 13 -1.547 -12.266 -0.494 1.00 0.00 N ATOM 198 CA ALA A 13 -0.785 -11.261 -1.217 1.00 0.00 C ATOM 199 C ALA A 13 -1.682 -10.363 -2.065 1.00 0.00 C ATOM 200 O ALA A 13 -1.276 -9.274 -2.467 1.00 0.00 O ATOM 201 CB ALA A 13 0.263 -11.935 -2.096 1.00 0.00 C ATOM 0 H ALA A 13 -1.488 -13.203 -0.893 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.292 -10.628 -0.480 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.830 -11.175 -2.634 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.940 -12.519 -1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.231 -12.594 -2.811 1.00 0.00 H new ATOM 207 N ALA A 14 -2.908 -10.806 -2.323 1.00 0.00 N ATOM 208 CA ALA A 14 -3.836 -10.009 -3.114 1.00 0.00 C ATOM 209 C ALA A 14 -4.619 -9.097 -2.198 1.00 0.00 C ATOM 210 O ALA A 14 -4.910 -7.947 -2.528 1.00 0.00 O ATOM 211 CB ALA A 14 -4.770 -10.904 -3.915 1.00 0.00 C ATOM 0 H ALA A 14 -3.278 -11.700 -2.001 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.272 -9.403 -3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.454 -10.287 -4.498 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.185 -11.532 -4.587 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.341 -11.535 -3.235 1.00 0.00 H new ATOM 217 N VAL A 15 -4.921 -9.620 -1.026 1.00 0.00 N ATOM 218 CA VAL A 15 -5.631 -8.880 -0.013 1.00 0.00 C ATOM 219 C VAL A 15 -4.672 -7.910 0.668 1.00 0.00 C ATOM 220 O VAL A 15 -5.028 -6.775 0.979 1.00 0.00 O ATOM 221 CB VAL A 15 -6.231 -9.853 1.018 1.00 0.00 C ATOM 222 CG1 VAL A 15 -6.751 -9.115 2.248 1.00 0.00 C ATOM 223 CG2 VAL A 15 -7.340 -10.676 0.380 1.00 0.00 C ATOM 0 H VAL A 15 -4.678 -10.572 -0.753 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.443 -8.315 -0.472 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.438 -10.524 1.348 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.167 -9.833 2.954 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.932 -8.574 2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.526 -8.410 1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.756 -11.360 1.119 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.124 -10.011 0.018 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.935 -11.247 -0.455 1.00 0.00 H new ATOM 233 N MET A 16 -3.441 -8.374 0.877 1.00 0.00 N ATOM 234 CA MET A 16 -2.404 -7.567 1.506 1.00 0.00 C ATOM 235 C MET A 16 -1.890 -6.497 0.566 1.00 0.00 C ATOM 236 O MET A 16 -1.898 -5.319 0.908 1.00 0.00 O ATOM 237 CB MET A 16 -1.226 -8.443 1.963 1.00 0.00 C ATOM 238 CG MET A 16 -1.347 -8.972 3.388 1.00 0.00 C ATOM 239 SD MET A 16 -2.900 -9.834 3.706 1.00 0.00 S ATOM 240 CE MET A 16 -4.013 -8.455 3.965 1.00 0.00 C ATOM 0 H MET A 16 -3.139 -9.313 0.616 1.00 0.00 H new ATOM 0 HA MET A 16 -2.857 -7.088 2.374 1.00 0.00 H new ATOM 0 HB2 MET A 16 -1.133 -9.289 1.282 1.00 0.00 H new ATOM 0 HB3 MET A 16 -0.306 -7.864 1.881 1.00 0.00 H new ATOM 0 HG2 MET A 16 -0.517 -9.650 3.587 1.00 0.00 H new ATOM 0 HG3 MET A 16 -1.253 -8.140 4.085 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.861 -8.780 4.568 1.00 0.00 H new ATOM 0 HE2 MET A 16 -3.485 -7.654 4.482 1.00 0.00 H new ATOM 0 HE3 MET A 16 -4.371 -8.091 3.002 1.00 0.00 H new ATOM 250 N MET A 17 -1.428 -6.898 -0.612 1.00 0.00 N ATOM 251 CA MET A 17 -0.903 -5.926 -1.556 1.00 0.00 C ATOM 252 C MET A 17 -2.025 -5.144 -2.196 1.00 0.00 C ATOM 253 O MET A 17 -1.904 -3.941 -2.422 1.00 0.00 O ATOM 254 CB MET A 17 -0.051 -6.611 -2.626 1.00 0.00 C ATOM 255 CG MET A 17 0.944 -7.615 -2.064 1.00 0.00 C ATOM 256 SD MET A 17 2.074 -8.254 -3.319 1.00 0.00 S ATOM 257 CE MET A 17 0.932 -9.052 -4.444 1.00 0.00 C ATOM 0 H MET A 17 -1.406 -7.867 -0.930 1.00 0.00 H new ATOM 0 HA MET A 17 -0.268 -5.231 -1.006 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.709 -7.120 -3.331 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.491 -5.851 -3.188 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.521 -7.143 -1.269 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.401 -8.446 -1.614 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.490 -9.539 -5.244 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.348 -9.797 -3.903 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.262 -8.306 -4.871 1.00 0.00 H new ATOM 267 N GLY A 18 -3.129 -5.817 -2.461 1.00 0.00 N ATOM 268 CA GLY A 18 -4.255 -5.134 -3.039 1.00 0.00 C ATOM 269 C GLY A 18 -4.756 -4.054 -2.108 1.00 0.00 C ATOM 270 O GLY A 18 -4.796 -2.878 -2.471 1.00 0.00 O ATOM 0 H GLY A 18 -3.263 -6.813 -2.288 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.969 -4.694 -3.995 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.055 -5.846 -3.242 1.00 0.00 H new ATOM 274 N LEU A 19 -5.116 -4.455 -0.890 1.00 0.00 N ATOM 275 CA LEU A 19 -5.614 -3.516 0.099 1.00 0.00 C ATOM 276 C LEU A 19 -4.522 -2.570 0.587 1.00 0.00 C ATOM 277 O LEU A 19 -4.827 -1.494 1.100 1.00 0.00 O ATOM 278 CB LEU A 19 -6.220 -4.259 1.291 1.00 0.00 C ATOM 279 CG LEU A 19 -7.365 -5.213 0.943 1.00 0.00 C ATOM 280 CD1 LEU A 19 -7.902 -5.880 2.200 1.00 0.00 C ATOM 281 CD2 LEU A 19 -8.474 -4.469 0.215 1.00 0.00 C ATOM 0 H LEU A 19 -5.070 -5.422 -0.570 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.386 -2.920 -0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.432 -4.826 1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.584 -3.526 2.011 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.980 -5.989 0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.716 -6.555 1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.104 -6.445 2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.272 -5.118 2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.280 -5.162 -0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.858 -3.673 0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.080 -4.038 -0.705 1.00 0.00 H new ATOM 293 N ALA A 20 -3.252 -2.950 0.440 1.00 0.00 N ATOM 294 CA ALA A 20 -2.182 -2.082 0.898 1.00 0.00 C ATOM 295 C ALA A 20 -1.791 -1.088 -0.169 1.00 0.00 C ATOM 296 O ALA A 20 -2.089 0.100 -0.056 1.00 0.00 O ATOM 297 CB ALA A 20 -0.981 -2.892 1.327 1.00 0.00 C ATOM 0 H ALA A 20 -2.951 -3.829 0.019 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.552 -1.527 1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.192 -2.221 1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.264 -3.560 2.141 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.619 -3.481 0.484 1.00 0.00 H new ATOM 303 N ALA A 21 -1.126 -1.571 -1.207 1.00 0.00 N ATOM 304 CA ALA A 21 -0.709 -0.703 -2.291 1.00 0.00 C ATOM 305 C ALA A 21 -1.872 0.191 -2.717 1.00 0.00 C ATOM 306 O ALA A 21 -1.685 1.375 -3.002 1.00 0.00 O ATOM 307 CB ALA A 21 -0.211 -1.526 -3.469 1.00 0.00 C ATOM 0 H ALA A 21 -0.866 -2.551 -1.319 1.00 0.00 H new ATOM 0 HA ALA A 21 0.110 -0.073 -1.944 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.098 -0.859 -4.274 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.638 -2.134 -3.155 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.011 -2.176 -3.823 1.00 0.00 H new ATOM 313 N ILE A 22 -3.084 -0.381 -2.738 1.00 0.00 N ATOM 314 CA ILE A 22 -4.265 0.384 -3.108 1.00 0.00 C ATOM 315 C ILE A 22 -4.786 1.170 -1.914 1.00 0.00 C ATOM 316 O ILE A 22 -5.244 2.300 -2.066 1.00 0.00 O ATOM 317 CB ILE A 22 -5.393 -0.510 -3.650 1.00 0.00 C ATOM 318 CG1 ILE A 22 -4.872 -1.409 -4.773 1.00 0.00 C ATOM 319 CG2 ILE A 22 -6.552 0.344 -4.147 1.00 0.00 C ATOM 320 CD1 ILE A 22 -4.332 -0.640 -5.960 1.00 0.00 C ATOM 0 H ILE A 22 -3.263 -1.358 -2.505 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.960 1.066 -3.901 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.751 -1.145 -2.840 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.085 -2.052 -4.378 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.678 -2.062 -5.109 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.343 -0.302 -4.528 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.939 0.946 -3.325 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.204 1.000 -4.945 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.980 -1.340 -6.718 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.122 -0.018 -6.380 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.505 -0.008 -5.638 1.00 0.00 H new ATOM 332 N GLY A 23 -4.703 0.586 -0.712 1.00 0.00 N ATOM 333 CA GLY A 23 -5.162 1.297 0.466 1.00 0.00 C ATOM 334 C GLY A 23 -4.474 2.638 0.570 1.00 0.00 C ATOM 335 O GLY A 23 -5.114 3.674 0.770 1.00 0.00 O ATOM 0 H GLY A 23 -4.333 -0.349 -0.541 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.242 1.437 0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.958 0.706 1.359 1.00 0.00 H new ATOM 339 N ALA A 24 -3.160 2.611 0.391 1.00 0.00 N ATOM 340 CA ALA A 24 -2.359 3.816 0.424 1.00 0.00 C ATOM 341 C ALA A 24 -2.674 4.678 -0.786 1.00 0.00 C ATOM 342 O ALA A 24 -2.957 5.861 -0.652 1.00 0.00 O ATOM 343 CB ALA A 24 -0.881 3.468 0.462 1.00 0.00 C ATOM 0 H ALA A 24 -2.628 1.758 0.220 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.600 4.377 1.327 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.292 4.385 0.487 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.669 2.877 1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.620 2.893 -0.426 1.00 0.00 H new ATOM 349 N ALA A 25 -2.640 4.071 -1.975 1.00 0.00 N ATOM 350 CA ALA A 25 -2.937 4.801 -3.206 1.00 0.00 C ATOM 351 C ALA A 25 -4.214 5.631 -3.057 1.00 0.00 C ATOM 352 O ALA A 25 -4.184 6.864 -3.111 1.00 0.00 O ATOM 353 CB ALA A 25 -3.068 3.835 -4.374 1.00 0.00 C ATOM 0 H ALA A 25 -2.412 3.086 -2.109 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.110 5.483 -3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.289 4.392 -5.284 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.133 3.289 -4.501 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.876 3.131 -4.175 1.00 0.00 H new ATOM 359 N ILE A 26 -5.332 4.944 -2.850 1.00 0.00 N ATOM 360 CA ILE A 26 -6.617 5.608 -2.676 1.00 0.00 C ATOM 361 C ILE A 26 -6.526 6.680 -1.607 1.00 0.00 C ATOM 362 O ILE A 26 -6.996 7.789 -1.811 1.00 0.00 O ATOM 363 CB ILE A 26 -7.729 4.609 -2.301 1.00 0.00 C ATOM 364 CG1 ILE A 26 -7.831 3.505 -3.356 1.00 0.00 C ATOM 365 CG2 ILE A 26 -9.067 5.323 -2.146 1.00 0.00 C ATOM 366 CD1 ILE A 26 -8.151 4.021 -4.742 1.00 0.00 C ATOM 0 H ILE A 26 -5.373 3.926 -2.799 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.871 6.066 -3.632 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.473 4.154 -1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -6.889 2.958 -3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.602 2.795 -3.054 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -9.837 4.599 -1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.990 6.074 -1.360 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.332 5.807 -3.086 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.208 3.184 -5.438 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.107 4.543 -4.724 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.368 4.708 -5.064 1.00 0.00 H new ATOM 378 N GLY A 27 -5.911 6.355 -0.475 1.00 0.00 N ATOM 379 CA GLY A 27 -5.778 7.341 0.579 1.00 0.00 C ATOM 380 C GLY A 27 -5.060 8.575 0.103 1.00 0.00 C ATOM 381 O GLY A 27 -5.459 9.685 0.412 1.00 0.00 O ATOM 0 H GLY A 27 -5.508 5.441 -0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.767 7.615 0.947 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.235 6.905 1.418 1.00 0.00 H new ATOM 385 N ILE A 28 -4.010 8.386 -0.677 1.00 0.00 N ATOM 386 CA ILE A 28 -3.273 9.512 -1.216 1.00 0.00 C ATOM 387 C ILE A 28 -4.224 10.370 -2.032 1.00 0.00 C ATOM 388 O ILE A 28 -4.126 11.597 -2.050 1.00 0.00 O ATOM 389 CB ILE A 28 -2.109 9.041 -2.104 1.00 0.00 C ATOM 390 CG1 ILE A 28 -1.157 8.168 -1.290 1.00 0.00 C ATOM 391 CG2 ILE A 28 -1.370 10.231 -2.698 1.00 0.00 C ATOM 392 CD1 ILE A 28 -0.189 7.375 -2.140 1.00 0.00 C ATOM 0 H ILE A 28 -3.652 7.470 -0.949 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.853 10.087 -0.391 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.512 8.451 -2.927 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.593 8.801 -0.605 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.741 7.479 -0.680 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.551 9.876 -3.323 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.058 10.821 -3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.971 10.850 -1.894 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.456 6.778 -1.496 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.745 6.716 -2.807 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.421 8.059 -2.731 1.00 0.00 H new ATOM 404 N GLY A 29 -5.169 9.697 -2.685 1.00 0.00 N ATOM 405 CA GLY A 29 -6.156 10.388 -3.484 1.00 0.00 C ATOM 406 C GLY A 29 -7.221 11.047 -2.632 1.00 0.00 C ATOM 407 O GLY A 29 -7.672 12.150 -2.941 1.00 0.00 O ATOM 0 H GLY A 29 -5.265 8.682 -2.672 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.662 11.144 -4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.626 9.682 -4.169 1.00 0.00 H new ATOM 411 N ILE A 30 -7.621 10.381 -1.547 1.00 0.00 N ATOM 412 CA ILE A 30 -8.637 10.939 -0.663 1.00 0.00 C ATOM 413 C ILE A 30 -8.036 12.043 0.196 1.00 0.00 C ATOM 414 O ILE A 30 -8.418 13.212 0.099 1.00 0.00 O ATOM 415 CB ILE A 30 -9.249 9.856 0.252 1.00 0.00 C ATOM 416 CG1 ILE A 30 -9.858 8.733 -0.590 1.00 0.00 C ATOM 417 CG2 ILE A 30 -10.303 10.463 1.169 1.00 0.00 C ATOM 418 CD1 ILE A 30 -10.469 7.622 0.236 1.00 0.00 C ATOM 0 H ILE A 30 -7.262 9.469 -1.265 1.00 0.00 H new ATOM 0 HA ILE A 30 -9.429 11.348 -1.290 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.455 9.437 0.871 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.624 9.153 -1.242 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.086 8.313 -1.234 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.723 9.685 1.806 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -9.845 11.233 1.790 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.096 10.907 0.568 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.881 6.861 -0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.702 7.175 0.869 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -11.264 8.028 0.861 1.00 0.00 H new ATOM 430 N LEU A 31 -7.075 11.655 1.017 1.00 0.00 N ATOM 431 CA LEU A 31 -6.380 12.579 1.892 1.00 0.00 C ATOM 432 C LEU A 31 -5.712 13.680 1.078 1.00 0.00 C ATOM 433 O LEU A 31 -5.822 14.856 1.409 1.00 0.00 O ATOM 434 CB LEU A 31 -5.333 11.824 2.715 1.00 0.00 C ATOM 435 CG LEU A 31 -5.355 12.121 4.212 1.00 0.00 C ATOM 436 CD1 LEU A 31 -4.277 11.324 4.931 1.00 0.00 C ATOM 437 CD2 LEU A 31 -5.180 13.610 4.464 1.00 0.00 C ATOM 0 H LEU A 31 -6.756 10.689 1.095 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.103 13.037 2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.481 10.754 2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.344 12.065 2.326 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.325 11.819 4.608 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.308 11.549 5.997 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.450 10.259 4.780 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.299 11.593 4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.198 13.802 5.537 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.226 13.939 4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.990 14.158 3.983 1.00 0.00 H new ATOM 449 N GLY A 32 -5.020 13.290 0.008 1.00 0.00 N ATOM 450 CA GLY A 32 -4.348 14.265 -0.831 1.00 0.00 C ATOM 451 C GLY A 32 -5.318 15.201 -1.525 1.00 0.00 C ATOM 452 O GLY A 32 -5.099 16.411 -1.566 1.00 0.00 O ATOM 0 H GLY A 32 -4.914 12.320 -0.290 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.657 14.849 -0.222 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.751 13.745 -1.580 1.00 0.00 H new ATOM 456 N GLY A 33 -6.393 14.641 -2.073 1.00 0.00 N ATOM 457 CA GLY A 33 -7.379 15.451 -2.761 1.00 0.00 C ATOM 458 C GLY A 33 -7.979 16.523 -1.870 1.00 0.00 C ATOM 459 O GLY A 33 -8.231 17.642 -2.320 1.00 0.00 O ATOM 0 H GLY A 33 -6.597 13.642 -2.052 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.916 15.922 -3.628 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.175 14.807 -3.135 1.00 0.00 H new ATOM 463 N LYS A 34 -8.215 16.182 -0.607 1.00 0.00 N ATOM 464 CA LYS A 34 -8.798 17.125 0.344 1.00 0.00 C ATOM 465 C LYS A 34 -7.742 18.057 0.927 1.00 0.00 C ATOM 466 O LYS A 34 -7.976 19.254 1.092 1.00 0.00 O ATOM 467 CB LYS A 34 -9.484 16.367 1.480 1.00 0.00 C ATOM 468 CG LYS A 34 -10.204 17.272 2.467 1.00 0.00 C ATOM 469 CD LYS A 34 -11.292 18.086 1.786 1.00 0.00 C ATOM 470 CE LYS A 34 -12.015 18.987 2.774 1.00 0.00 C ATOM 471 NZ LYS A 34 -13.082 19.790 2.116 1.00 0.00 N ATOM 0 H LYS A 34 -8.012 15.261 -0.218 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.529 17.728 -0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.200 15.663 1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.739 15.779 2.016 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.643 16.669 3.262 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.486 17.944 2.937 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.852 18.692 0.994 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.008 17.414 1.313 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.454 18.379 3.565 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.297 19.656 3.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.551 20.391 2.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.660 20.389 1.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.782 19.152 1.686 1.00 0.00 H new ATOM 485 N PHE A 35 -6.588 17.492 1.260 1.00 0.00 N ATOM 486 CA PHE A 35 -5.497 18.257 1.852 1.00 0.00 C ATOM 487 C PHE A 35 -5.158 19.480 1.005 1.00 0.00 C ATOM 488 O PHE A 35 -5.095 20.602 1.510 1.00 0.00 O ATOM 489 CB PHE A 35 -4.256 17.369 1.997 1.00 0.00 C ATOM 490 CG PHE A 35 -3.353 17.710 3.156 1.00 0.00 C ATOM 491 CD1 PHE A 35 -3.741 18.606 4.145 1.00 0.00 C ATOM 492 CD2 PHE A 35 -2.111 17.107 3.262 1.00 0.00 C ATOM 493 CE1 PHE A 35 -2.904 18.890 5.209 1.00 0.00 C ATOM 494 CE2 PHE A 35 -1.274 17.385 4.323 1.00 0.00 C ATOM 495 CZ PHE A 35 -1.670 18.276 5.298 1.00 0.00 C ATOM 0 H PHE A 35 -6.383 16.501 1.129 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.819 18.600 2.835 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.580 16.334 2.102 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.676 17.429 1.076 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.707 19.086 4.082 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.793 16.408 2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.215 19.591 5.969 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.309 16.905 4.390 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.016 18.493 6.130 1.00 0.00 H new ATOM 505 N LEU A 36 -4.939 19.253 -0.287 1.00 0.00 N ATOM 506 CA LEU A 36 -4.601 20.330 -1.213 1.00 0.00 C ATOM 507 C LEU A 36 -5.621 21.463 -1.138 1.00 0.00 C ATOM 508 O LEU A 36 -5.255 22.639 -1.119 1.00 0.00 O ATOM 509 CB LEU A 36 -4.527 19.793 -2.644 1.00 0.00 C ATOM 510 CG LEU A 36 -4.183 20.834 -3.711 1.00 0.00 C ATOM 511 CD1 LEU A 36 -2.811 21.441 -3.448 1.00 0.00 C ATOM 512 CD2 LEU A 36 -4.236 20.211 -5.098 1.00 0.00 C ATOM 0 H LEU A 36 -4.990 18.330 -0.718 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.627 20.726 -0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.781 18.999 -2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.486 19.341 -2.896 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.923 21.633 -3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.586 22.179 -4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.808 21.924 -2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.056 20.655 -3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.989 20.965 -5.845 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.518 19.393 -5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.239 19.828 -5.287 1.00 0.00 H new ATOM 524 N GLU A 37 -6.900 21.104 -1.096 1.00 0.00 N ATOM 525 CA GLU A 37 -7.971 22.091 -1.023 1.00 0.00 C ATOM 526 C GLU A 37 -7.802 22.999 0.192 1.00 0.00 C ATOM 527 O GLU A 37 -8.292 24.128 0.206 1.00 0.00 O ATOM 528 CB GLU A 37 -9.332 21.396 -0.969 1.00 0.00 C ATOM 529 CG GLU A 37 -9.625 20.538 -2.189 1.00 0.00 C ATOM 530 CD GLU A 37 -10.976 19.856 -2.112 1.00 0.00 C ATOM 531 OE1 GLU A 37 -11.194 19.074 -1.163 1.00 0.00 O ATOM 532 OE2 GLU A 37 -11.818 20.104 -3.001 1.00 0.00 O ATOM 0 H GLU A 37 -7.220 20.136 -1.111 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.919 22.707 -1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.377 20.772 -0.077 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.112 22.150 -0.870 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.587 21.160 -3.083 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.846 19.782 -2.293 1.00 0.00 H new ATOM 539 N GLY A 38 -7.103 22.501 1.209 1.00 0.00 N ATOM 540 CA GLY A 38 -6.884 23.289 2.408 1.00 0.00 C ATOM 541 C GLY A 38 -5.582 24.066 2.364 1.00 0.00 C ATOM 542 O GLY A 38 -5.055 24.467 3.401 1.00 0.00 O ATOM 0 H GLY A 38 -6.686 21.570 1.224 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.714 23.984 2.538 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.881 22.630 3.276 1.00 0.00 H new ATOM 546 N ALA A 39 -5.067 24.284 1.158 1.00 0.00 N ATOM 547 CA ALA A 39 -3.829 25.021 0.977 1.00 0.00 C ATOM 548 C ALA A 39 -3.518 25.226 -0.503 1.00 0.00 C ATOM 549 O ALA A 39 -2.357 25.355 -0.891 1.00 0.00 O ATOM 550 CB ALA A 39 -2.678 24.305 1.669 1.00 0.00 C ATOM 0 H ALA A 39 -5.493 23.958 0.290 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.954 26.004 1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.758 24.871 1.524 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.889 24.223 2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.562 23.308 1.244 1.00 0.00 H new ATOM 556 N ALA A 40 -4.562 25.255 -1.328 1.00 0.00 N ATOM 557 CA ALA A 40 -4.403 25.444 -2.755 1.00 0.00 C ATOM 558 C ALA A 40 -4.117 26.904 -3.083 1.00 0.00 C ATOM 559 O ALA A 40 -3.401 27.208 -4.036 1.00 0.00 O ATOM 560 CB ALA A 40 -5.643 24.965 -3.493 1.00 0.00 C ATOM 0 H ALA A 40 -5.530 25.149 -1.024 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.550 24.851 -3.084 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.509 25.113 -4.564 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.801 23.906 -3.290 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.510 25.532 -3.154 1.00 0.00 H new ATOM 566 N ARG A 41 -4.681 27.801 -2.282 1.00 0.00 N ATOM 567 CA ARG A 41 -4.486 29.233 -2.482 1.00 0.00 C ATOM 568 C ARG A 41 -3.045 29.628 -2.192 1.00 0.00 C ATOM 569 O ARG A 41 -2.413 30.333 -2.978 1.00 0.00 O ATOM 570 CB ARG A 41 -5.432 30.034 -1.585 1.00 0.00 C ATOM 571 CG ARG A 41 -6.891 29.968 -2.007 1.00 0.00 C ATOM 572 CD ARG A 41 -7.427 28.544 -1.977 1.00 0.00 C ATOM 573 NE ARG A 41 -8.857 28.488 -2.277 1.00 0.00 N ATOM 574 CZ ARG A 41 -9.801 29.003 -1.491 1.00 0.00 C ATOM 575 NH1 ARG A 41 -9.478 29.572 -0.336 1.00 0.00 N ATOM 576 NH2 ARG A 41 -11.074 28.935 -1.855 1.00 0.00 N ATOM 0 H ARG A 41 -5.276 27.563 -1.489 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.708 29.459 -3.525 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.344 29.667 -0.562 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.114 31.076 -1.578 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.489 30.595 -1.345 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.997 30.374 -3.013 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.882 27.937 -2.699 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.246 28.110 -0.994 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.149 28.027 -3.139 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.501 29.617 -0.045 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.206 29.964 0.261 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.329 28.489 -2.736 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.798 29.329 -1.254 1.00 0.00 H new ATOM 590 N GLN A 42 -2.532 29.171 -1.057 1.00 0.00 N ATOM 591 CA GLN A 42 -1.166 29.476 -0.658 1.00 0.00 C ATOM 592 C GLN A 42 -0.169 28.959 -1.695 1.00 0.00 C ATOM 593 O GLN A 42 -0.514 28.123 -2.530 1.00 0.00 O ATOM 594 CB GLN A 42 -0.867 28.861 0.710 1.00 0.00 C ATOM 595 CG GLN A 42 -1.777 29.370 1.817 1.00 0.00 C ATOM 596 CD GLN A 42 -1.462 28.747 3.162 1.00 0.00 C ATOM 597 OE1 GLN A 42 -1.534 27.530 3.328 1.00 0.00 O ATOM 598 NE2 GLN A 42 -1.112 29.582 4.134 1.00 0.00 N ATOM 0 H GLN A 42 -3.043 28.587 -0.396 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.062 30.559 -0.592 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.963 27.777 0.641 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.169 29.073 0.976 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.682 30.453 1.891 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -2.814 29.158 1.556 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -1.065 30.585 3.953 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.890 29.221 5.062 1.00 0.00 H new ATOM 607 N PRO A 43 1.085 29.446 -1.657 1.00 0.00 N ATOM 608 CA PRO A 43 2.124 29.021 -2.599 1.00 0.00 C ATOM 609 C PRO A 43 2.186 27.507 -2.749 1.00 0.00 C ATOM 610 O PRO A 43 1.608 26.774 -1.950 1.00 0.00 O ATOM 611 CB PRO A 43 3.408 29.554 -1.963 1.00 0.00 C ATOM 612 CG PRO A 43 2.971 30.756 -1.202 1.00 0.00 C ATOM 613 CD PRO A 43 1.590 30.445 -0.693 1.00 0.00 C ATOM 0 HA PRO A 43 1.944 29.394 -3.607 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.864 28.813 -1.307 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.150 29.810 -2.719 1.00 0.00 H new ATOM 0 HG2 PRO A 43 3.653 30.965 -0.378 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.962 31.640 -1.840 1.00 0.00 H new ATOM 0 HD2 PRO A 43 1.616 30.047 0.321 1.00 0.00 H new ATOM 0 HD3 PRO A 43 0.961 31.335 -0.670 1.00 0.00 H new ATOM 621 N ASP A 44 2.889 27.046 -3.776 1.00 0.00 N ATOM 622 CA ASP A 44 3.024 25.616 -4.025 1.00 0.00 C ATOM 623 C ASP A 44 4.291 25.070 -3.378 1.00 0.00 C ATOM 624 O ASP A 44 4.866 24.088 -3.849 1.00 0.00 O ATOM 625 CB ASP A 44 3.044 25.338 -5.531 1.00 0.00 C ATOM 626 CG ASP A 44 1.774 25.797 -6.223 1.00 0.00 C ATOM 627 OD1 ASP A 44 0.880 26.331 -5.534 1.00 0.00 O ATOM 628 OD2 ASP A 44 1.676 25.622 -7.456 1.00 0.00 O ATOM 0 H ASP A 44 3.374 27.640 -4.449 1.00 0.00 H new ATOM 0 HA ASP A 44 2.165 25.112 -3.582 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.901 25.842 -5.979 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.179 24.269 -5.698 1.00 0.00 H new ATOM 633 N LEU A 45 4.725 25.713 -2.297 1.00 0.00 N ATOM 634 CA LEU A 45 5.927 25.288 -1.590 1.00 0.00 C ATOM 635 C LEU A 45 5.583 24.619 -0.265 1.00 0.00 C ATOM 636 O LEU A 45 5.687 23.400 -0.126 1.00 0.00 O ATOM 637 CB LEU A 45 6.853 26.481 -1.350 1.00 0.00 C ATOM 638 CG LEU A 45 8.141 26.157 -0.593 1.00 0.00 C ATOM 639 CD1 LEU A 45 8.966 25.134 -1.358 1.00 0.00 C ATOM 640 CD2 LEU A 45 8.949 27.423 -0.352 1.00 0.00 C ATOM 0 H LEU A 45 4.263 26.528 -1.893 1.00 0.00 H new ATOM 0 HA LEU A 45 6.440 24.558 -2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.116 26.917 -2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.304 27.242 -0.795 1.00 0.00 H new ATOM 0 HG LEU A 45 7.875 25.729 0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.879 24.915 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.388 24.218 -1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.223 25.534 -2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.863 27.174 0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.205 27.879 -1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.359 28.125 0.237 1.00 0.00 H new ATOM 652 N ILE A 46 5.177 25.426 0.703 1.00 0.00 N ATOM 653 CA ILE A 46 4.819 24.927 2.022 1.00 0.00 C ATOM 654 C ILE A 46 3.820 23.770 1.945 1.00 0.00 C ATOM 655 O ILE A 46 4.066 22.700 2.500 1.00 0.00 O ATOM 656 CB ILE A 46 4.226 26.057 2.881 1.00 0.00 C ATOM 657 CG1 ILE A 46 5.264 27.162 3.095 1.00 0.00 C ATOM 658 CG2 ILE A 46 3.727 25.523 4.218 1.00 0.00 C ATOM 659 CD1 ILE A 46 4.751 28.323 3.918 1.00 0.00 C ATOM 0 H ILE A 46 5.087 26.437 0.599 1.00 0.00 H new ATOM 0 HA ILE A 46 5.734 24.555 2.482 1.00 0.00 H new ATOM 0 HB ILE A 46 3.373 26.478 2.349 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.139 26.737 3.587 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.593 27.533 2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.313 26.342 4.805 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.954 24.774 4.045 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.556 25.070 4.761 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.540 29.067 4.029 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.894 28.774 3.417 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.449 27.966 4.902 1.00 0.00 H new ATOM 671 N PRO A 47 2.677 23.957 1.257 1.00 0.00 N ATOM 672 CA PRO A 47 1.667 22.903 1.131 1.00 0.00 C ATOM 673 C PRO A 47 2.193 21.718 0.338 1.00 0.00 C ATOM 674 O PRO A 47 1.960 20.565 0.696 1.00 0.00 O ATOM 675 CB PRO A 47 0.518 23.585 0.387 1.00 0.00 C ATOM 676 CG PRO A 47 1.164 24.707 -0.343 1.00 0.00 C ATOM 677 CD PRO A 47 2.276 25.186 0.549 1.00 0.00 C ATOM 0 HA PRO A 47 1.369 22.499 2.098 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.025 22.896 -0.299 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.243 23.947 1.078 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.550 24.376 -1.307 1.00 0.00 H new ATOM 0 HG3 PRO A 47 0.451 25.506 -0.543 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.100 25.610 -0.024 1.00 0.00 H new ATOM 0 HD3 PRO A 47 1.937 25.958 1.239 1.00 0.00 H new ATOM 685 N LEU A 48 2.922 22.007 -0.734 1.00 0.00 N ATOM 686 CA LEU A 48 3.499 20.958 -1.561 1.00 0.00 C ATOM 687 C LEU A 48 4.338 20.025 -0.692 1.00 0.00 C ATOM 688 O LEU A 48 4.482 18.842 -0.993 1.00 0.00 O ATOM 689 CB LEU A 48 4.352 21.570 -2.678 1.00 0.00 C ATOM 690 CG LEU A 48 4.917 20.577 -3.702 1.00 0.00 C ATOM 691 CD1 LEU A 48 6.006 19.713 -3.082 1.00 0.00 C ATOM 692 CD2 LEU A 48 3.804 19.708 -4.268 1.00 0.00 C ATOM 0 H LEU A 48 3.126 22.956 -1.049 1.00 0.00 H new ATOM 0 HA LEU A 48 2.697 20.383 -2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.749 22.307 -3.208 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.184 22.107 -2.222 1.00 0.00 H new ATOM 0 HG LEU A 48 5.363 21.147 -4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.389 19.018 -3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.818 20.349 -2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.592 19.152 -2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.221 19.009 -4.993 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.329 19.152 -3.459 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.063 20.339 -4.758 1.00 0.00 H new ATOM 704 N LEU A 49 4.877 20.576 0.395 1.00 0.00 N ATOM 705 CA LEU A 49 5.696 19.816 1.334 1.00 0.00 C ATOM 706 C LEU A 49 4.862 18.740 2.021 1.00 0.00 C ATOM 707 O LEU A 49 5.227 17.565 2.042 1.00 0.00 O ATOM 708 CB LEU A 49 6.294 20.761 2.382 1.00 0.00 C ATOM 709 CG LEU A 49 7.811 20.684 2.544 1.00 0.00 C ATOM 710 CD1 LEU A 49 8.269 21.571 3.692 1.00 0.00 C ATOM 711 CD2 LEU A 49 8.257 19.247 2.764 1.00 0.00 C ATOM 0 H LEU A 49 4.758 21.557 0.647 1.00 0.00 H new ATOM 0 HA LEU A 49 6.502 19.331 0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.025 21.784 2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.831 20.547 3.346 1.00 0.00 H new ATOM 0 HG LEU A 49 8.273 21.045 1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.352 21.504 3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.987 22.604 3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.797 21.241 4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.341 19.216 2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.787 18.854 3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.964 18.640 1.908 1.00 0.00 H new ATOM 723 N ARG A 50 3.731 19.150 2.576 1.00 0.00 N ATOM 724 CA ARG A 50 2.836 18.221 3.247 1.00 0.00 C ATOM 725 C ARG A 50 2.142 17.343 2.221 1.00 0.00 C ATOM 726 O ARG A 50 1.979 16.133 2.414 1.00 0.00 O ATOM 727 CB ARG A 50 1.800 18.985 4.069 1.00 0.00 C ATOM 728 CG ARG A 50 1.124 20.100 3.291 1.00 0.00 C ATOM 729 CD ARG A 50 -0.101 20.624 4.012 1.00 0.00 C ATOM 730 NE ARG A 50 0.159 20.901 5.424 1.00 0.00 N ATOM 731 CZ ARG A 50 0.982 21.852 5.859 1.00 0.00 C ATOM 732 NH1 ARG A 50 1.593 22.658 5.000 1.00 0.00 N ATOM 733 NH2 ARG A 50 1.185 22.008 7.160 1.00 0.00 N ATOM 0 H ARG A 50 3.412 20.119 2.575 1.00 0.00 H new ATOM 0 HA ARG A 50 3.419 17.592 3.919 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.042 18.288 4.425 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.284 19.407 4.950 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.831 20.915 3.135 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.837 19.734 2.305 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.445 21.536 3.523 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.907 19.895 3.930 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.321 20.329 6.119 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.433 22.551 3.998 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.222 23.384 5.341 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.710 21.399 7.827 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.816 22.737 7.494 1.00 0.00 H new ATOM 747 N THR A 51 1.749 17.965 1.119 1.00 0.00 N ATOM 748 CA THR A 51 1.085 17.263 0.039 1.00 0.00 C ATOM 749 C THR A 51 1.919 16.071 -0.410 1.00 0.00 C ATOM 750 O THR A 51 1.397 14.976 -0.610 1.00 0.00 O ATOM 751 CB THR A 51 0.861 18.217 -1.130 1.00 0.00 C ATOM 752 OG1 THR A 51 0.054 19.312 -0.734 1.00 0.00 O ATOM 753 CG2 THR A 51 0.199 17.566 -2.326 1.00 0.00 C ATOM 0 H THR A 51 1.882 18.962 0.952 1.00 0.00 H new ATOM 0 HA THR A 51 0.122 16.896 0.393 1.00 0.00 H new ATOM 0 HB THR A 51 1.858 18.544 -1.427 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.537 19.853 -0.075 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.072 18.304 -3.118 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.824 16.750 -2.688 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.776 17.175 -2.034 1.00 0.00 H new ATOM 761 N GLN A 52 3.225 16.287 -0.549 1.00 0.00 N ATOM 762 CA GLN A 52 4.123 15.216 -0.960 1.00 0.00 C ATOM 763 C GLN A 52 4.256 14.196 0.154 1.00 0.00 C ATOM 764 O GLN A 52 4.201 12.990 -0.079 1.00 0.00 O ATOM 765 CB GLN A 52 5.500 15.766 -1.329 1.00 0.00 C ATOM 766 CG GLN A 52 6.162 16.570 -0.226 1.00 0.00 C ATOM 767 CD GLN A 52 7.576 16.987 -0.577 1.00 0.00 C ATOM 768 OE1 GLN A 52 7.803 17.696 -1.558 1.00 0.00 O ATOM 769 NE2 GLN A 52 8.539 16.545 0.225 1.00 0.00 N ATOM 0 H GLN A 52 3.680 17.185 -0.385 1.00 0.00 H new ATOM 0 HA GLN A 52 3.699 14.736 -1.842 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.151 14.934 -1.599 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.403 16.395 -2.214 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.565 17.459 -0.021 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.178 15.979 0.690 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.306 15.960 1.027 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.511 16.791 0.038 1.00 0.00 H new ATOM 778 N PHE A 53 4.419 14.698 1.369 1.00 0.00 N ATOM 779 CA PHE A 53 4.545 13.846 2.547 1.00 0.00 C ATOM 780 C PHE A 53 3.482 12.759 2.528 1.00 0.00 C ATOM 781 O PHE A 53 3.748 11.609 2.877 1.00 0.00 O ATOM 782 CB PHE A 53 4.423 14.685 3.821 1.00 0.00 C ATOM 783 CG PHE A 53 4.587 13.892 5.086 1.00 0.00 C ATOM 784 CD1 PHE A 53 5.745 13.167 5.319 1.00 0.00 C ATOM 785 CD2 PHE A 53 3.586 13.874 6.043 1.00 0.00 C ATOM 786 CE1 PHE A 53 5.901 12.439 6.483 1.00 0.00 C ATOM 787 CE2 PHE A 53 3.736 13.148 7.210 1.00 0.00 C ATOM 788 CZ PHE A 53 4.895 12.429 7.430 1.00 0.00 C ATOM 0 H PHE A 53 4.468 15.697 1.568 1.00 0.00 H new ATOM 0 HA PHE A 53 5.527 13.373 2.533 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.174 15.475 3.798 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.448 15.172 3.832 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.535 13.171 4.582 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.678 14.434 5.876 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.808 11.878 6.652 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.948 13.143 7.949 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.014 11.860 8.340 1.00 0.00 H new ATOM 798 N PHE A 54 2.284 13.125 2.092 1.00 0.00 N ATOM 799 CA PHE A 54 1.190 12.166 2.003 1.00 0.00 C ATOM 800 C PHE A 54 1.312 11.325 0.735 1.00 0.00 C ATOM 801 O PHE A 54 1.094 10.111 0.765 1.00 0.00 O ATOM 802 CB PHE A 54 -0.162 12.876 2.064 1.00 0.00 C ATOM 803 CG PHE A 54 -0.645 13.093 3.471 1.00 0.00 C ATOM 804 CD1 PHE A 54 -0.987 12.011 4.267 1.00 0.00 C ATOM 805 CD2 PHE A 54 -0.746 14.368 4.002 1.00 0.00 C ATOM 806 CE1 PHE A 54 -1.422 12.196 5.564 1.00 0.00 C ATOM 807 CE2 PHE A 54 -1.182 14.559 5.302 1.00 0.00 C ATOM 808 CZ PHE A 54 -1.520 13.472 6.083 1.00 0.00 C ATOM 0 H PHE A 54 2.046 14.072 1.796 1.00 0.00 H new ATOM 0 HA PHE A 54 1.254 11.495 2.860 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.084 13.839 1.559 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.900 12.289 1.518 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.912 11.010 3.867 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.482 15.222 3.396 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.685 11.343 6.172 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.258 15.558 5.705 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.860 13.619 7.097 1.00 0.00 H new ATOM 818 N ILE A 55 1.686 11.963 -0.375 1.00 0.00 N ATOM 819 CA ILE A 55 1.861 11.249 -1.635 1.00 0.00 C ATOM 820 C ILE A 55 2.823 10.078 -1.450 1.00 0.00 C ATOM 821 O ILE A 55 2.595 8.985 -1.965 1.00 0.00 O ATOM 822 CB ILE A 55 2.387 12.182 -2.750 1.00 0.00 C ATOM 823 CG1 ILE A 55 1.328 13.222 -3.121 1.00 0.00 C ATOM 824 CG2 ILE A 55 2.792 11.381 -3.978 1.00 0.00 C ATOM 825 CD1 ILE A 55 0.079 12.622 -3.730 1.00 0.00 C ATOM 0 H ILE A 55 1.872 12.965 -0.425 1.00 0.00 H new ATOM 0 HA ILE A 55 0.883 10.874 -1.938 1.00 0.00 H new ATOM 0 HB ILE A 55 3.268 12.700 -2.372 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.053 13.784 -2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.760 13.933 -3.825 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.159 12.058 -4.749 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.579 10.676 -3.709 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.929 10.834 -4.356 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.628 13.417 -3.968 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.341 12.084 -4.641 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.377 11.932 -3.020 1.00 0.00 H new ATOM 837 N VAL A 56 3.889 10.312 -0.695 1.00 0.00 N ATOM 838 CA VAL A 56 4.872 9.273 -0.426 1.00 0.00 C ATOM 839 C VAL A 56 4.407 8.403 0.728 1.00 0.00 C ATOM 840 O VAL A 56 4.527 7.180 0.678 1.00 0.00 O ATOM 841 CB VAL A 56 6.257 9.863 -0.104 1.00 0.00 C ATOM 842 CG1 VAL A 56 7.277 8.755 0.113 1.00 0.00 C ATOM 843 CG2 VAL A 56 6.708 10.803 -1.212 1.00 0.00 C ATOM 0 H VAL A 56 4.094 11.211 -0.259 1.00 0.00 H new ATOM 0 HA VAL A 56 4.966 8.670 -1.329 1.00 0.00 H new ATOM 0 HB VAL A 56 6.179 10.437 0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.249 9.194 0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.960 8.127 0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.354 8.149 -0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.689 11.210 -0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.767 10.255 -2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.991 11.618 -1.312 1.00 0.00 H new ATOM 853 N MET A 57 3.850 9.032 1.760 1.00 0.00 N ATOM 854 CA MET A 57 3.342 8.289 2.910 1.00 0.00 C ATOM 855 C MET A 57 2.481 7.121 2.435 1.00 0.00 C ATOM 856 O MET A 57 2.405 6.082 3.092 1.00 0.00 O ATOM 857 CB MET A 57 2.522 9.203 3.824 1.00 0.00 C ATOM 858 CG MET A 57 1.848 8.470 4.974 1.00 0.00 C ATOM 859 SD MET A 57 0.911 9.573 6.050 1.00 0.00 S ATOM 860 CE MET A 57 2.210 10.657 6.636 1.00 0.00 C ATOM 0 H MET A 57 3.740 10.044 1.824 1.00 0.00 H new ATOM 0 HA MET A 57 4.190 7.904 3.476 1.00 0.00 H new ATOM 0 HB2 MET A 57 3.174 9.976 4.230 1.00 0.00 H new ATOM 0 HB3 MET A 57 1.760 9.708 3.230 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.180 7.708 4.572 1.00 0.00 H new ATOM 0 HG3 MET A 57 2.605 7.952 5.563 1.00 0.00 H new ATOM 0 HE1 MET A 57 1.900 11.123 7.571 1.00 0.00 H new ATOM 0 HE2 MET A 57 3.119 10.079 6.802 1.00 0.00 H new ATOM 0 HE3 MET A 57 2.403 11.430 5.892 1.00 0.00 H new ATOM 870 N GLY A 58 1.839 7.303 1.283 1.00 0.00 N ATOM 871 CA GLY A 58 0.998 6.260 0.730 1.00 0.00 C ATOM 872 C GLY A 58 1.729 5.388 -0.273 1.00 0.00 C ATOM 873 O GLY A 58 1.737 4.163 -0.149 1.00 0.00 O ATOM 0 H GLY A 58 1.888 8.155 0.724 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.620 5.636 1.540 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.133 6.714 0.247 1.00 0.00 H new ATOM 877 N LEU A 59 2.351 6.018 -1.265 1.00 0.00 N ATOM 878 CA LEU A 59 3.095 5.290 -2.290 1.00 0.00 C ATOM 879 C LEU A 59 4.145 4.366 -1.671 1.00 0.00 C ATOM 880 O LEU A 59 4.616 3.428 -2.313 1.00 0.00 O ATOM 881 CB LEU A 59 3.769 6.274 -3.249 1.00 0.00 C ATOM 882 CG LEU A 59 2.817 7.028 -4.181 1.00 0.00 C ATOM 883 CD1 LEU A 59 3.588 8.001 -5.057 1.00 0.00 C ATOM 884 CD2 LEU A 59 2.026 6.049 -5.035 1.00 0.00 C ATOM 0 H LEU A 59 2.355 7.031 -1.382 1.00 0.00 H new ATOM 0 HA LEU A 59 2.385 4.673 -2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.331 7.001 -2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.491 5.728 -3.857 1.00 0.00 H new ATOM 0 HG LEU A 59 2.116 7.599 -3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.895 8.528 -5.713 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.111 8.721 -4.428 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.312 7.453 -5.660 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.354 6.600 -5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.713 5.453 -5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.444 5.391 -4.390 1.00 0.00 H new ATOM 896 N VAL A 60 4.513 4.645 -0.424 1.00 0.00 N ATOM 897 CA VAL A 60 5.510 3.851 0.282 1.00 0.00 C ATOM 898 C VAL A 60 4.870 2.680 1.013 1.00 0.00 C ATOM 899 O VAL A 60 5.476 1.627 1.169 1.00 0.00 O ATOM 900 CB VAL A 60 6.267 4.713 1.306 1.00 0.00 C ATOM 901 CG1 VAL A 60 5.347 5.150 2.437 1.00 0.00 C ATOM 902 CG2 VAL A 60 7.481 3.972 1.844 1.00 0.00 C ATOM 0 H VAL A 60 4.133 5.420 0.120 1.00 0.00 H new ATOM 0 HA VAL A 60 6.204 3.471 -0.468 1.00 0.00 H new ATOM 0 HB VAL A 60 6.619 5.611 0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.907 5.758 3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.522 5.735 2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.952 4.270 2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.001 4.601 2.566 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.159 3.051 2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.155 3.732 1.021 1.00 0.00 H new ATOM 912 N ASP A 61 3.650 2.894 1.476 1.00 0.00 N ATOM 913 CA ASP A 61 2.905 1.876 2.221 1.00 0.00 C ATOM 914 C ASP A 61 2.749 0.578 1.426 1.00 0.00 C ATOM 915 O ASP A 61 2.511 -0.484 2.000 1.00 0.00 O ATOM 916 CB ASP A 61 1.529 2.414 2.594 1.00 0.00 C ATOM 917 CG ASP A 61 0.782 1.501 3.547 1.00 0.00 C ATOM 918 OD1 ASP A 61 0.511 0.342 3.170 1.00 0.00 O ATOM 919 OD2 ASP A 61 0.470 1.947 4.672 1.00 0.00 O ATOM 0 H ASP A 61 3.145 3.771 1.351 1.00 0.00 H new ATOM 0 HA ASP A 61 3.475 1.647 3.121 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.640 3.397 3.051 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.938 2.548 1.688 1.00 0.00 H new ATOM 924 N ALA A 62 2.871 0.673 0.108 1.00 0.00 N ATOM 925 CA ALA A 62 2.736 -0.496 -0.769 1.00 0.00 C ATOM 926 C ALA A 62 4.009 -1.325 -0.784 1.00 0.00 C ATOM 927 O ALA A 62 4.002 -2.505 -0.442 1.00 0.00 O ATOM 928 CB ALA A 62 2.413 -0.047 -2.184 1.00 0.00 C ATOM 0 H ALA A 62 3.063 1.546 -0.383 1.00 0.00 H new ATOM 0 HA ALA A 62 1.926 -1.113 -0.381 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.314 -0.920 -2.829 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.477 0.512 -2.184 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.216 0.590 -2.556 1.00 0.00 H new ATOM 934 N ILE A 63 5.104 -0.684 -1.175 1.00 0.00 N ATOM 935 CA ILE A 63 6.420 -1.318 -1.243 1.00 0.00 C ATOM 936 C ILE A 63 6.634 -2.415 -0.199 1.00 0.00 C ATOM 937 O ILE A 63 7.251 -3.441 -0.492 1.00 0.00 O ATOM 938 CB ILE A 63 7.529 -0.256 -1.084 1.00 0.00 C ATOM 939 CG1 ILE A 63 7.857 0.354 -2.440 1.00 0.00 C ATOM 940 CG2 ILE A 63 8.787 -0.846 -0.453 1.00 0.00 C ATOM 941 CD1 ILE A 63 8.389 -0.669 -3.416 1.00 0.00 C ATOM 0 H ILE A 63 5.106 0.297 -1.456 1.00 0.00 H new ATOM 0 HA ILE A 63 6.469 -1.794 -2.222 1.00 0.00 H new ATOM 0 HB ILE A 63 7.159 0.521 -0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.961 0.816 -2.854 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.594 1.147 -2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.545 -0.069 -0.357 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.547 -1.243 0.534 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.168 -1.649 -1.084 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.608 -0.185 -4.368 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.301 -1.113 -3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.643 -1.449 -3.569 1.00 0.00 H new ATOM 953 N PRO A 64 6.156 -2.220 1.036 1.00 0.00 N ATOM 954 CA PRO A 64 6.334 -3.189 2.105 1.00 0.00 C ATOM 955 C PRO A 64 5.272 -4.274 2.050 1.00 0.00 C ATOM 956 O PRO A 64 5.581 -5.462 1.986 1.00 0.00 O ATOM 957 CB PRO A 64 6.205 -2.331 3.382 1.00 0.00 C ATOM 958 CG PRO A 64 5.982 -0.922 2.903 1.00 0.00 C ATOM 959 CD PRO A 64 5.417 -1.060 1.523 1.00 0.00 C ATOM 0 HA PRO A 64 7.283 -3.722 2.047 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.374 -2.671 4.000 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.105 -2.399 3.993 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.294 -0.388 3.558 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.915 -0.358 2.892 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.341 -1.231 1.533 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.593 -0.173 0.914 1.00 0.00 H new ATOM 967 N MET A 65 4.018 -3.847 2.039 1.00 0.00 N ATOM 968 CA MET A 65 2.899 -4.757 1.950 1.00 0.00 C ATOM 969 C MET A 65 3.002 -5.577 0.670 1.00 0.00 C ATOM 970 O MET A 65 2.534 -6.713 0.606 1.00 0.00 O ATOM 971 CB MET A 65 1.601 -3.954 1.983 1.00 0.00 C ATOM 972 CG MET A 65 1.186 -3.534 3.386 1.00 0.00 C ATOM 973 SD MET A 65 2.417 -2.505 4.208 1.00 0.00 S ATOM 974 CE MET A 65 1.621 -2.220 5.788 1.00 0.00 C ATOM 0 H MET A 65 3.754 -2.863 2.092 1.00 0.00 H new ATOM 0 HA MET A 65 2.908 -5.446 2.795 1.00 0.00 H new ATOM 0 HB2 MET A 65 1.717 -3.064 1.365 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.803 -4.549 1.539 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.243 -2.990 3.332 1.00 0.00 H new ATOM 0 HG3 MET A 65 1.006 -4.425 3.987 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.262 -1.596 6.411 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.668 -1.716 5.629 1.00 0.00 H new ATOM 0 HE3 MET A 65 1.448 -3.174 6.286 1.00 0.00 H new ATOM 984 N ILE A 66 3.644 -4.992 -0.340 1.00 0.00 N ATOM 985 CA ILE A 66 3.840 -5.663 -1.613 1.00 0.00 C ATOM 986 C ILE A 66 4.992 -6.646 -1.509 1.00 0.00 C ATOM 987 O ILE A 66 4.859 -7.797 -1.905 1.00 0.00 O ATOM 988 CB ILE A 66 4.105 -4.662 -2.759 1.00 0.00 C ATOM 989 CG1 ILE A 66 2.899 -3.739 -2.946 1.00 0.00 C ATOM 990 CG2 ILE A 66 4.416 -5.398 -4.055 1.00 0.00 C ATOM 991 CD1 ILE A 66 3.100 -2.691 -4.018 1.00 0.00 C ATOM 0 H ILE A 66 4.036 -4.052 -0.296 1.00 0.00 H new ATOM 0 HA ILE A 66 2.920 -6.198 -1.848 1.00 0.00 H new ATOM 0 HB ILE A 66 4.971 -4.056 -2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.026 -4.342 -3.198 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.682 -3.243 -2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.599 -4.674 -4.849 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.302 -6.018 -3.918 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.570 -6.029 -4.327 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.205 -2.073 -4.095 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.953 -2.064 -3.758 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.287 -3.180 -4.974 1.00 0.00 H new ATOM 1003 N ALA A 67 6.114 -6.205 -0.948 1.00 0.00 N ATOM 1004 CA ALA A 67 7.255 -7.094 -0.772 1.00 0.00 C ATOM 1005 C ALA A 67 6.833 -8.287 0.075 1.00 0.00 C ATOM 1006 O ALA A 67 7.316 -9.405 -0.111 1.00 0.00 O ATOM 1007 CB ALA A 67 8.418 -6.355 -0.128 1.00 0.00 C ATOM 0 H ALA A 67 6.256 -5.252 -0.612 1.00 0.00 H new ATOM 0 HA ALA A 67 7.590 -7.449 -1.747 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.259 -7.037 -0.006 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.716 -5.521 -0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.113 -5.976 0.848 1.00 0.00 H new ATOM 1013 N VAL A 68 5.903 -8.036 0.995 1.00 0.00 N ATOM 1014 CA VAL A 68 5.380 -9.080 1.861 1.00 0.00 C ATOM 1015 C VAL A 68 4.509 -10.037 1.059 1.00 0.00 C ATOM 1016 O VAL A 68 4.656 -11.256 1.164 1.00 0.00 O ATOM 1017 CB VAL A 68 4.559 -8.495 3.028 1.00 0.00 C ATOM 1018 CG1 VAL A 68 4.051 -9.602 3.943 1.00 0.00 C ATOM 1019 CG2 VAL A 68 5.386 -7.484 3.808 1.00 0.00 C ATOM 0 H VAL A 68 5.498 -7.114 1.157 1.00 0.00 H new ATOM 0 HA VAL A 68 6.232 -9.616 2.279 1.00 0.00 H new ATOM 0 HB VAL A 68 3.693 -7.980 2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.475 -9.164 4.758 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.416 -10.282 3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.898 -10.153 4.352 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.791 -7.082 4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.273 -7.973 4.210 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.687 -6.672 3.146 1.00 0.00 H new ATOM 1029 N GLY A 69 3.616 -9.487 0.234 1.00 0.00 N ATOM 1030 CA GLY A 69 2.773 -10.334 -0.587 1.00 0.00 C ATOM 1031 C GLY A 69 3.604 -11.105 -1.588 1.00 0.00 C ATOM 1032 O GLY A 69 3.265 -12.221 -1.977 1.00 0.00 O ATOM 0 H GLY A 69 3.465 -8.484 0.123 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.220 -11.028 0.046 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.037 -9.725 -1.111 1.00 0.00 H new ATOM 1036 N LEU A 70 4.711 -10.492 -1.982 1.00 0.00 N ATOM 1037 CA LEU A 70 5.645 -11.082 -2.923 1.00 0.00 C ATOM 1038 C LEU A 70 6.419 -12.203 -2.249 1.00 0.00 C ATOM 1039 O LEU A 70 6.782 -13.194 -2.878 1.00 0.00 O ATOM 1040 CB LEU A 70 6.607 -10.002 -3.423 1.00 0.00 C ATOM 1041 CG LEU A 70 6.692 -9.879 -4.937 1.00 0.00 C ATOM 1042 CD1 LEU A 70 7.629 -8.748 -5.332 1.00 0.00 C ATOM 1043 CD2 LEU A 70 7.142 -11.193 -5.556 1.00 0.00 C ATOM 0 H LEU A 70 4.986 -9.566 -1.654 1.00 0.00 H new ATOM 0 HA LEU A 70 5.098 -11.497 -3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.299 -9.041 -3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.603 -10.212 -3.033 1.00 0.00 H new ATOM 0 HG LEU A 70 5.698 -9.645 -5.318 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.676 -8.677 -6.419 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.258 -7.808 -4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.626 -8.947 -4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.197 -11.085 -6.639 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.125 -11.460 -5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.427 -11.977 -5.305 1.00 0.00 H new ATOM 1055 N GLY A 71 6.654 -12.034 -0.957 1.00 0.00 N ATOM 1056 CA GLY A 71 7.372 -13.034 -0.192 1.00 0.00 C ATOM 1057 C GLY A 71 6.532 -14.272 0.035 1.00 0.00 C ATOM 1058 O GLY A 71 6.958 -15.384 -0.269 1.00 0.00 O ATOM 0 H GLY A 71 6.359 -11.218 -0.421 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.288 -13.306 -0.717 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.669 -12.614 0.769 1.00 0.00 H new ATOM 1062 N LEU A 72 5.327 -14.074 0.559 1.00 0.00 N ATOM 1063 CA LEU A 72 4.413 -15.179 0.816 1.00 0.00 C ATOM 1064 C LEU A 72 3.990 -15.838 -0.495 1.00 0.00 C ATOM 1065 O LEU A 72 3.796 -17.054 -0.565 1.00 0.00 O ATOM 1066 CB LEU A 72 3.180 -14.677 1.576 1.00 0.00 C ATOM 1067 CG LEU A 72 3.461 -14.136 2.979 1.00 0.00 C ATOM 1068 CD1 LEU A 72 2.173 -13.667 3.638 1.00 0.00 C ATOM 1069 CD2 LEU A 72 4.142 -15.196 3.832 1.00 0.00 C ATOM 0 H LEU A 72 4.961 -13.157 0.814 1.00 0.00 H new ATOM 0 HA LEU A 72 4.927 -15.921 1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.705 -13.891 0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.463 -15.494 1.655 1.00 0.00 H new ATOM 0 HG LEU A 72 4.132 -13.282 2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.392 -13.286 4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.724 -12.876 3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.478 -14.503 3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.335 -14.794 4.827 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.495 -16.069 3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.085 -15.485 3.369 1.00 0.00 H new ATOM 1081 N TYR A 73 3.861 -15.020 -1.534 1.00 0.00 N ATOM 1082 CA TYR A 73 3.470 -15.504 -2.853 1.00 0.00 C ATOM 1083 C TYR A 73 4.611 -16.302 -3.478 1.00 0.00 C ATOM 1084 O TYR A 73 4.472 -17.497 -3.766 1.00 0.00 O ATOM 1085 CB TYR A 73 3.087 -14.312 -3.731 1.00 0.00 C ATOM 1086 CG TYR A 73 2.568 -14.677 -5.100 1.00 0.00 C ATOM 1087 CD1 TYR A 73 3.400 -15.249 -6.054 1.00 0.00 C ATOM 1088 CD2 TYR A 73 1.243 -14.434 -5.444 1.00 0.00 C ATOM 1089 CE1 TYR A 73 2.928 -15.566 -7.313 1.00 0.00 C ATOM 1090 CE2 TYR A 73 0.763 -14.752 -6.698 1.00 0.00 C ATOM 1091 CZ TYR A 73 1.611 -15.317 -7.630 1.00 0.00 C ATOM 1092 OH TYR A 73 1.138 -15.631 -8.884 1.00 0.00 O ATOM 0 H TYR A 73 4.022 -14.014 -1.487 1.00 0.00 H new ATOM 0 HA TYR A 73 2.609 -16.166 -2.764 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.327 -13.727 -3.214 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.960 -13.669 -3.848 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.432 -15.449 -5.808 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.579 -13.989 -4.718 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.588 -16.007 -8.045 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -0.270 -14.560 -6.949 1.00 0.00 H new ATOM 0 HH TYR A 73 0.189 -15.393 -8.945 1.00 0.00 H new ATOM 1102 N VAL A 74 5.751 -15.645 -3.657 1.00 0.00 N ATOM 1103 CA VAL A 74 6.927 -16.303 -4.212 1.00 0.00 C ATOM 1104 C VAL A 74 7.307 -17.504 -3.353 1.00 0.00 C ATOM 1105 O VAL A 74 7.949 -18.442 -3.824 1.00 0.00 O ATOM 1106 CB VAL A 74 8.127 -15.343 -4.298 1.00 0.00 C ATOM 1107 CG1 VAL A 74 9.360 -16.063 -4.827 1.00 0.00 C ATOM 1108 CG2 VAL A 74 7.791 -14.146 -5.174 1.00 0.00 C ATOM 0 H VAL A 74 5.886 -14.661 -3.427 1.00 0.00 H new ATOM 0 HA VAL A 74 6.675 -16.630 -5.221 1.00 0.00 H new ATOM 0 HB VAL A 74 8.348 -14.984 -3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.195 -15.364 -4.879 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.616 -16.885 -4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.153 -16.456 -5.823 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.651 -13.478 -5.223 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.540 -14.489 -6.178 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.941 -13.612 -4.750 1.00 0.00 H new ATOM 1118 N MET A 75 6.880 -17.473 -2.092 1.00 0.00 N ATOM 1119 CA MET A 75 7.150 -18.563 -1.170 1.00 0.00 C ATOM 1120 C MET A 75 6.367 -19.778 -1.615 1.00 0.00 C ATOM 1121 O MET A 75 6.931 -20.850 -1.832 1.00 0.00 O ATOM 1122 CB MET A 75 6.772 -18.179 0.261 1.00 0.00 C ATOM 1123 CG MET A 75 6.974 -19.302 1.267 1.00 0.00 C ATOM 1124 SD MET A 75 6.520 -18.821 2.945 1.00 0.00 S ATOM 1125 CE MET A 75 7.643 -17.454 3.222 1.00 0.00 C ATOM 0 H MET A 75 6.346 -16.703 -1.690 1.00 0.00 H new ATOM 0 HA MET A 75 8.217 -18.785 -1.178 1.00 0.00 H new ATOM 0 HB2 MET A 75 7.367 -17.318 0.566 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.727 -17.868 0.281 1.00 0.00 H new ATOM 0 HG2 MET A 75 6.379 -20.165 0.967 1.00 0.00 H new ATOM 0 HG3 MET A 75 8.018 -19.614 1.253 1.00 0.00 H new ATOM 0 HE1 MET A 75 7.719 -17.256 4.291 1.00 0.00 H new ATOM 0 HE2 MET A 75 8.628 -17.707 2.829 1.00 0.00 H new ATOM 0 HE3 MET A 75 7.267 -16.566 2.714 1.00 0.00 H new ATOM 1135 N PHE A 76 5.062 -19.592 -1.796 1.00 0.00 N ATOM 1136 CA PHE A 76 4.218 -20.670 -2.271 1.00 0.00 C ATOM 1137 C PHE A 76 4.831 -21.262 -3.536 1.00 0.00 C ATOM 1138 O PHE A 76 4.768 -22.469 -3.771 1.00 0.00 O ATOM 1139 CB PHE A 76 2.801 -20.166 -2.557 1.00 0.00 C ATOM 1140 CG PHE A 76 1.982 -21.135 -3.361 1.00 0.00 C ATOM 1141 CD1 PHE A 76 2.262 -21.332 -4.701 1.00 0.00 C ATOM 1142 CD2 PHE A 76 0.953 -21.857 -2.780 1.00 0.00 C ATOM 1143 CE1 PHE A 76 1.529 -22.231 -5.453 1.00 0.00 C ATOM 1144 CE2 PHE A 76 0.216 -22.755 -3.524 1.00 0.00 C ATOM 1145 CZ PHE A 76 0.504 -22.943 -4.863 1.00 0.00 C ATOM 0 H PHE A 76 4.576 -18.713 -1.621 1.00 0.00 H new ATOM 0 HA PHE A 76 4.152 -21.437 -1.500 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.295 -19.968 -1.612 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.860 -19.218 -3.092 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.063 -20.777 -5.166 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.725 -21.716 -1.734 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.757 -22.376 -6.499 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.586 -23.311 -3.061 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.072 -23.646 -5.447 1.00 0.00 H new ATOM 1155 N ALA A 77 5.425 -20.387 -4.346 1.00 0.00 N ATOM 1156 CA ALA A 77 6.054 -20.805 -5.592 1.00 0.00 C ATOM 1157 C ALA A 77 7.140 -21.845 -5.340 1.00 0.00 C ATOM 1158 O ALA A 77 7.393 -22.711 -6.177 1.00 0.00 O ATOM 1159 CB ALA A 77 6.635 -19.600 -6.318 1.00 0.00 C ATOM 0 H ALA A 77 5.482 -19.386 -4.160 1.00 0.00 H new ATOM 0 HA ALA A 77 5.289 -21.263 -6.220 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.102 -19.926 -7.247 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.838 -18.891 -6.541 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.382 -19.119 -5.686 1.00 0.00 H new ATOM 1165 N VAL A 78 7.780 -21.755 -4.178 1.00 0.00 N ATOM 1166 CA VAL A 78 8.840 -22.689 -3.814 1.00 0.00 C ATOM 1167 C VAL A 78 8.278 -23.879 -3.042 1.00 0.00 C ATOM 1168 O VAL A 78 8.328 -25.016 -3.510 1.00 0.00 O ATOM 1169 CB VAL A 78 9.925 -22.002 -2.964 1.00 0.00 C ATOM 1170 CG1 VAL A 78 11.066 -22.964 -2.662 1.00 0.00 C ATOM 1171 CG2 VAL A 78 10.441 -20.755 -3.665 1.00 0.00 C ATOM 0 H VAL A 78 7.583 -21.045 -3.473 1.00 0.00 H new ATOM 0 HA VAL A 78 9.289 -23.041 -4.743 1.00 0.00 H new ATOM 0 HB VAL A 78 9.478 -21.702 -2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.820 -22.457 -2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 78 10.682 -23.823 -2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.514 -23.302 -3.596 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.207 -20.282 -3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.869 -21.030 -4.629 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.618 -20.057 -3.819 1.00 0.00 H new ATOM 1181 N ALA A 79 7.741 -23.608 -1.857 1.00 0.00 N ATOM 1182 CA ALA A 79 7.169 -24.655 -1.019 1.00 0.00 C ATOM 1183 C ALA A 79 5.897 -25.221 -1.639 1.00 0.00 C ATOM 1184 O ALA A 79 5.214 -24.476 -2.373 1.00 0.00 O ATOM 1185 CB ALA A 79 6.885 -24.117 0.376 1.00 0.00 C ATOM 1186 OXT ALA A 79 5.593 -26.406 -1.387 1.00 0.00 O ATOM 0 H ALA A 79 7.690 -22.672 -1.455 1.00 0.00 H new ATOM 0 HA ALA A 79 7.896 -25.464 -0.944 1.00 0.00 H new ATOM 0 HB1 ALA A 79 6.458 -24.909 0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.814 -23.767 0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.179 -23.289 0.310 1.00 0.00 H new TER 1192 ALA A 79