USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 557 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 42 SER OG : rot 101:sc= 0.228 USER MOD Set 1.2: A 45 HIS : no HD1:sc= -10.7! C(o=-11!,f=-17!) USER MOD Set 2.1: A 39 MET CE :methyl 143:sc= -5.26! (180deg=-5.93!) USER MOD Set 2.2: A 62 MET CE :methyl -152:sc= -0.487 (180deg=-2.41) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 21:sc= 1.13 USER MOD Single : A 5 SER OG : rot 180:sc= -0.232 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0827 K(o=-0.083,f=-1.6!) USER MOD Single : A 29 ASN : amide:sc= -1.82 K(o=-1.8,f=-15!) USER MOD Single : A 35 GLN : amide:sc= -0.675 X(o=-0.67,f=-0.78) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 46 CYS SG : rot 160:sc= -6.58! USER MOD Single : A 47 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -6.79! C(o=-6.8!,f=-6.6!) USER MOD Single : A 53 THR OG1 : rot -88:sc= 0.654 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN :FLIP amide:sc= -3.85! C(o=-4.6!,f=-3.9!) USER MOD Single : A 63 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.57) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -6.73! C(o=-6.7!,f=-8.7!) USER MOD Single : A 69 MET CE :methyl -157:sc= -0.0242 (180deg=-0.679) USER MOD Single : A 79 SER OG : rot 10:sc= 0.196 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.991 -31.878 -33.194 1.00 0.00 N ATOM 2 CA GLY A 1 6.263 -31.700 -31.778 1.00 0.00 C ATOM 3 C GLY A 1 5.336 -32.571 -30.928 1.00 0.00 C ATOM 4 O GLY A 1 4.211 -32.176 -30.626 1.00 0.00 O ATOM 0 H1 GLY A 1 6.633 -31.277 -33.749 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.139 -32.874 -33.453 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.006 -31.611 -33.395 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.302 -31.956 -31.569 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.132 -30.652 -31.508 1.00 0.00 H new ATOM 8 N SER A 2 5.843 -33.740 -30.565 1.00 0.00 N ATOM 9 CA SER A 2 5.075 -34.670 -29.756 1.00 0.00 C ATOM 10 C SER A 2 5.801 -34.940 -28.436 1.00 0.00 C ATOM 11 O SER A 2 7.020 -35.101 -28.416 1.00 0.00 O ATOM 12 CB SER A 2 4.831 -35.982 -30.505 1.00 0.00 C ATOM 13 OG SER A 2 6.043 -36.693 -30.743 1.00 0.00 O ATOM 0 H SER A 2 6.777 -34.064 -30.817 1.00 0.00 H new ATOM 0 HA SER A 2 4.106 -34.218 -29.545 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.151 -36.608 -29.928 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.341 -35.771 -31.456 1.00 0.00 H new ATOM 0 HG SER A 2 5.846 -37.525 -31.221 1.00 0.00 H new ATOM 19 N SER A 3 5.021 -34.980 -27.366 1.00 0.00 N ATOM 20 CA SER A 3 5.575 -35.228 -26.045 1.00 0.00 C ATOM 21 C SER A 3 4.462 -35.637 -25.079 1.00 0.00 C ATOM 22 O SER A 3 3.291 -35.338 -25.313 1.00 0.00 O ATOM 23 CB SER A 3 6.310 -33.994 -25.517 1.00 0.00 C ATOM 24 OG SER A 3 7.612 -33.866 -26.081 1.00 0.00 O ATOM 0 H SER A 3 4.010 -34.845 -27.386 1.00 0.00 H new ATOM 0 HA SER A 3 6.296 -36.042 -26.123 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.728 -33.101 -25.743 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.390 -34.056 -24.432 1.00 0.00 H new ATOM 0 HG SER A 3 7.659 -34.379 -26.915 1.00 0.00 H new ATOM 30 N GLY A 4 4.865 -36.314 -24.014 1.00 0.00 N ATOM 31 CA GLY A 4 3.916 -36.767 -23.012 1.00 0.00 C ATOM 32 C GLY A 4 4.134 -36.041 -21.682 1.00 0.00 C ATOM 33 O GLY A 4 4.454 -36.668 -20.674 1.00 0.00 O ATOM 0 H GLY A 4 5.836 -36.560 -23.823 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.899 -36.592 -23.364 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.022 -37.842 -22.865 1.00 0.00 H new ATOM 37 N SER A 5 3.952 -34.729 -21.724 1.00 0.00 N ATOM 38 CA SER A 5 4.125 -33.911 -20.536 1.00 0.00 C ATOM 39 C SER A 5 3.340 -32.606 -20.680 1.00 0.00 C ATOM 40 O SER A 5 3.155 -32.108 -21.789 1.00 0.00 O ATOM 41 CB SER A 5 5.604 -33.615 -20.282 1.00 0.00 C ATOM 42 OG SER A 5 6.381 -34.807 -20.197 1.00 0.00 O ATOM 0 H SER A 5 3.686 -34.212 -22.562 1.00 0.00 H new ATOM 0 HA SER A 5 3.741 -34.466 -19.680 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.991 -32.987 -21.084 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.706 -33.049 -19.356 1.00 0.00 H new ATOM 0 HG SER A 5 7.319 -34.575 -20.036 1.00 0.00 H new ATOM 48 N SER A 6 2.899 -32.089 -19.542 1.00 0.00 N ATOM 49 CA SER A 6 2.138 -30.852 -19.528 1.00 0.00 C ATOM 50 C SER A 6 2.812 -29.834 -18.606 1.00 0.00 C ATOM 51 O SER A 6 3.640 -30.198 -17.773 1.00 0.00 O ATOM 52 CB SER A 6 0.695 -31.098 -19.082 1.00 0.00 C ATOM 53 OG SER A 6 -0.172 -30.036 -19.470 1.00 0.00 O ATOM 0 H SER A 6 3.054 -32.505 -18.624 1.00 0.00 H new ATOM 0 HA SER A 6 2.113 -30.454 -20.542 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.337 -32.034 -19.512 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.665 -31.213 -17.999 1.00 0.00 H new ATOM 0 HG SER A 6 -1.084 -30.231 -19.169 1.00 0.00 H new ATOM 59 N GLY A 7 2.431 -28.577 -18.786 1.00 0.00 N ATOM 60 CA GLY A 7 2.988 -27.504 -17.981 1.00 0.00 C ATOM 61 C GLY A 7 1.929 -26.910 -17.050 1.00 0.00 C ATOM 62 O GLY A 7 1.097 -27.635 -16.507 1.00 0.00 O ATOM 0 H GLY A 7 1.743 -28.278 -19.478 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.824 -27.882 -17.392 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.384 -26.724 -18.632 1.00 0.00 H new ATOM 66 N GLY A 8 1.994 -25.596 -16.895 1.00 0.00 N ATOM 67 CA GLY A 8 1.051 -24.896 -16.040 1.00 0.00 C ATOM 68 C GLY A 8 0.072 -24.062 -16.870 1.00 0.00 C ATOM 69 O GLY A 8 0.333 -23.772 -18.037 1.00 0.00 O ATOM 0 H GLY A 8 2.685 -24.998 -17.347 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.499 -25.616 -15.435 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.592 -24.248 -15.350 1.00 0.00 H new ATOM 73 N GLU A 9 -1.033 -23.700 -16.235 1.00 0.00 N ATOM 74 CA GLU A 9 -2.051 -22.905 -16.900 1.00 0.00 C ATOM 75 C GLU A 9 -2.470 -21.730 -16.014 1.00 0.00 C ATOM 76 O GLU A 9 -2.594 -20.602 -16.490 1.00 0.00 O ATOM 77 CB GLU A 9 -3.259 -23.765 -17.277 1.00 0.00 C ATOM 78 CG GLU A 9 -4.314 -22.937 -18.012 1.00 0.00 C ATOM 79 CD GLU A 9 -4.514 -23.447 -19.441 1.00 0.00 C ATOM 80 OE1 GLU A 9 -3.496 -23.837 -20.052 1.00 0.00 O ATOM 81 OE2 GLU A 9 -5.681 -23.436 -19.890 1.00 0.00 O ATOM 0 H GLU A 9 -1.246 -23.943 -15.267 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.628 -22.507 -17.822 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.937 -24.593 -17.908 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.695 -24.200 -16.378 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.259 -22.982 -17.470 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.009 -21.891 -18.035 1.00 0.00 H new ATOM 88 N GLU A 10 -2.677 -22.034 -14.741 1.00 0.00 N ATOM 89 CA GLU A 10 -3.079 -21.017 -13.785 1.00 0.00 C ATOM 90 C GLU A 10 -1.865 -20.517 -12.999 1.00 0.00 C ATOM 91 O GLU A 10 -1.048 -21.313 -12.539 1.00 0.00 O ATOM 92 CB GLU A 10 -4.161 -21.548 -12.842 1.00 0.00 C ATOM 93 CG GLU A 10 -3.607 -22.652 -11.938 1.00 0.00 C ATOM 94 CD GLU A 10 -4.635 -23.063 -10.883 1.00 0.00 C ATOM 95 OE1 GLU A 10 -5.459 -23.946 -11.206 1.00 0.00 O ATOM 96 OE2 GLU A 10 -4.575 -22.485 -9.776 1.00 0.00 O ATOM 0 H GLU A 10 -2.574 -22.970 -14.350 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.502 -20.177 -14.335 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.548 -20.733 -12.231 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.998 -21.935 -13.424 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.333 -23.518 -12.541 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.697 -22.304 -11.449 1.00 0.00 H new ATOM 103 N LEU A 11 -1.785 -19.201 -12.870 1.00 0.00 N ATOM 104 CA LEU A 11 -0.684 -18.585 -12.148 1.00 0.00 C ATOM 105 C LEU A 11 -1.074 -17.160 -11.752 1.00 0.00 C ATOM 106 O LEU A 11 -1.501 -16.372 -12.595 1.00 0.00 O ATOM 107 CB LEU A 11 0.605 -18.666 -12.968 1.00 0.00 C ATOM 108 CG LEU A 11 0.913 -17.457 -13.855 1.00 0.00 C ATOM 109 CD1 LEU A 11 2.242 -17.641 -14.590 1.00 0.00 C ATOM 110 CD2 LEU A 11 -0.242 -17.177 -14.819 1.00 0.00 C ATOM 0 H LEU A 11 -2.465 -18.544 -13.253 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.481 -19.128 -11.225 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.440 -18.811 -12.282 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.555 -19.552 -13.601 1.00 0.00 H new ATOM 0 HG LEU A 11 1.018 -16.581 -13.215 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.437 -16.768 -15.213 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.047 -17.755 -13.864 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.191 -18.531 -15.218 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.002 -16.313 -15.438 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.403 -18.046 -15.456 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.149 -16.971 -14.250 1.00 0.00 H new ATOM 122 N LEU A 12 -0.912 -16.871 -10.469 1.00 0.00 N ATOM 123 CA LEU A 12 -1.241 -15.554 -9.952 1.00 0.00 C ATOM 124 C LEU A 12 -0.818 -15.467 -8.484 1.00 0.00 C ATOM 125 O LEU A 12 -0.755 -16.482 -7.791 1.00 0.00 O ATOM 126 CB LEU A 12 -2.721 -15.241 -10.184 1.00 0.00 C ATOM 127 CG LEU A 12 -3.021 -14.137 -11.200 1.00 0.00 C ATOM 128 CD1 LEU A 12 -3.755 -14.698 -12.419 1.00 0.00 C ATOM 129 CD2 LEU A 12 -3.791 -12.986 -10.547 1.00 0.00 C ATOM 0 H LEU A 12 -0.557 -17.526 -9.773 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.688 -14.785 -10.491 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.218 -16.154 -10.512 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.167 -14.960 -9.230 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.073 -13.731 -11.554 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.956 -13.892 -13.125 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.136 -15.456 -12.899 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.697 -15.146 -12.102 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.992 -12.215 -11.290 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.734 -13.359 -10.148 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.196 -12.564 -9.737 1.00 0.00 H new ATOM 141 N PRO A 13 -0.531 -14.214 -8.042 1.00 0.00 N ATOM 142 CA PRO A 13 -0.115 -13.981 -6.669 1.00 0.00 C ATOM 143 C PRO A 13 -1.304 -14.084 -5.711 1.00 0.00 C ATOM 144 O PRO A 13 -2.456 -14.087 -6.143 1.00 0.00 O ATOM 145 CB PRO A 13 0.521 -12.601 -6.679 1.00 0.00 C ATOM 146 CG PRO A 13 0.025 -11.922 -7.945 1.00 0.00 C ATOM 147 CD PRO A 13 -0.595 -12.989 -8.834 1.00 0.00 C ATOM 0 HA PRO A 13 0.593 -14.729 -6.312 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.235 -12.033 -5.794 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.609 -12.672 -6.675 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.709 -11.153 -7.703 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.848 -11.427 -8.460 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -1.624 -12.739 -9.094 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -0.046 -13.093 -9.770 1.00 0.00 H new ATOM 155 N ASP A 14 -0.984 -14.167 -4.428 1.00 0.00 N ATOM 156 CA ASP A 14 -2.011 -14.270 -3.406 1.00 0.00 C ATOM 157 C ASP A 14 -1.348 -14.472 -2.042 1.00 0.00 C ATOM 158 O ASP A 14 -1.081 -15.603 -1.639 1.00 0.00 O ATOM 159 CB ASP A 14 -2.930 -15.465 -3.666 1.00 0.00 C ATOM 160 CG ASP A 14 -4.410 -15.219 -3.369 1.00 0.00 C ATOM 161 OD1 ASP A 14 -5.054 -14.550 -4.205 1.00 0.00 O ATOM 162 OD2 ASP A 14 -4.865 -15.707 -2.311 1.00 0.00 O ATOM 0 H ASP A 14 -0.028 -14.165 -4.073 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.599 -13.352 -3.426 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.829 -15.762 -4.710 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.588 -16.305 -3.061 1.00 0.00 H new ATOM 167 N GLY A 15 -1.101 -13.358 -1.368 1.00 0.00 N ATOM 168 CA GLY A 15 -0.475 -13.399 -0.058 1.00 0.00 C ATOM 169 C GLY A 15 -1.527 -13.421 1.053 1.00 0.00 C ATOM 170 O GLY A 15 -1.951 -12.371 1.532 1.00 0.00 O ATOM 0 H GLY A 15 -1.323 -12.421 -1.705 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.158 -14.283 0.019 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.172 -12.531 0.067 1.00 0.00 H new ATOM 174 N VAL A 16 -1.918 -14.630 1.429 1.00 0.00 N ATOM 175 CA VAL A 16 -2.913 -14.803 2.474 1.00 0.00 C ATOM 176 C VAL A 16 -2.447 -14.082 3.740 1.00 0.00 C ATOM 177 O VAL A 16 -1.285 -14.193 4.130 1.00 0.00 O ATOM 178 CB VAL A 16 -3.182 -16.292 2.699 1.00 0.00 C ATOM 179 CG1 VAL A 16 -1.920 -17.010 3.183 1.00 0.00 C ATOM 180 CG2 VAL A 16 -4.340 -16.499 3.677 1.00 0.00 C ATOM 0 H VAL A 16 -1.564 -15.499 1.029 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.862 -14.356 2.176 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.470 -16.728 1.743 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.139 -18.067 3.335 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.133 -16.906 2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.588 -16.569 4.123 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.510 -17.566 3.819 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.094 -16.040 4.635 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.242 -16.038 3.275 1.00 0.00 H new ATOM 190 N PRO A 17 -3.401 -13.339 4.363 1.00 0.00 N ATOM 191 CA PRO A 17 -3.100 -12.600 5.577 1.00 0.00 C ATOM 192 C PRO A 17 -2.997 -13.539 6.780 1.00 0.00 C ATOM 193 O PRO A 17 -3.980 -14.170 7.165 1.00 0.00 O ATOM 194 CB PRO A 17 -4.224 -11.586 5.709 1.00 0.00 C ATOM 195 CG PRO A 17 -5.353 -12.099 4.829 1.00 0.00 C ATOM 196 CD PRO A 17 -4.786 -13.184 3.929 1.00 0.00 C ATOM 0 HA PRO A 17 -2.133 -12.099 5.536 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.548 -11.494 6.746 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.897 -10.597 5.388 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -6.164 -12.495 5.440 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.771 -11.288 4.233 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.341 -14.116 4.035 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.842 -12.897 2.879 1.00 0.00 H new ATOM 204 N GLU A 18 -1.798 -13.603 7.340 1.00 0.00 N ATOM 205 CA GLU A 18 -1.554 -14.455 8.491 1.00 0.00 C ATOM 206 C GLU A 18 -0.810 -13.677 9.579 1.00 0.00 C ATOM 207 O GLU A 18 0.214 -13.052 9.310 1.00 0.00 O ATOM 208 CB GLU A 18 -0.779 -15.712 8.089 1.00 0.00 C ATOM 209 CG GLU A 18 -1.530 -16.977 8.508 1.00 0.00 C ATOM 210 CD GLU A 18 -2.092 -17.710 7.288 1.00 0.00 C ATOM 211 OE1 GLU A 18 -2.687 -17.018 6.434 1.00 0.00 O ATOM 212 OE2 GLU A 18 -1.913 -18.946 7.237 1.00 0.00 O ATOM 0 H GLU A 18 -0.985 -13.078 7.018 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.516 -14.774 8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.623 -15.718 7.010 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.207 -15.700 8.553 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.859 -17.638 9.057 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.343 -16.714 9.185 1.00 0.00 H new ATOM 219 N GLU A 19 -1.355 -13.742 10.785 1.00 0.00 N ATOM 220 CA GLU A 19 -0.756 -13.052 11.915 1.00 0.00 C ATOM 221 C GLU A 19 0.321 -13.926 12.560 1.00 0.00 C ATOM 222 O GLU A 19 0.277 -14.187 13.761 1.00 0.00 O ATOM 223 CB GLU A 19 -1.820 -12.649 12.937 1.00 0.00 C ATOM 224 CG GLU A 19 -2.501 -13.881 13.535 1.00 0.00 C ATOM 225 CD GLU A 19 -4.024 -13.733 13.511 1.00 0.00 C ATOM 226 OE1 GLU A 19 -4.591 -13.886 12.408 1.00 0.00 O ATOM 227 OE2 GLU A 19 -4.586 -13.469 14.596 1.00 0.00 O ATOM 0 H GLU A 19 -2.205 -14.262 11.004 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.285 -12.139 11.551 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.361 -12.061 13.732 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.565 -12.013 12.460 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.210 -14.770 12.975 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.162 -14.026 14.561 1.00 0.00 H new ATOM 234 N VAL A 20 1.265 -14.354 11.734 1.00 0.00 N ATOM 235 CA VAL A 20 2.352 -15.193 12.209 1.00 0.00 C ATOM 236 C VAL A 20 3.403 -15.332 11.106 1.00 0.00 C ATOM 237 O VAL A 20 3.073 -15.294 9.922 1.00 0.00 O ATOM 238 CB VAL A 20 1.803 -16.539 12.686 1.00 0.00 C ATOM 239 CG1 VAL A 20 1.303 -17.376 11.507 1.00 0.00 C ATOM 240 CG2 VAL A 20 2.854 -17.303 13.495 1.00 0.00 C ATOM 0 H VAL A 20 1.299 -14.135 10.738 1.00 0.00 H new ATOM 0 HA VAL A 20 2.842 -14.734 13.068 1.00 0.00 H new ATOM 0 HB VAL A 20 0.954 -16.342 13.340 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.918 -18.328 11.874 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.508 -16.838 10.990 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.126 -17.560 10.816 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.439 -18.256 13.822 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.731 -17.483 12.874 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.141 -16.714 14.366 1.00 0.00 H new ATOM 250 N MET A 21 4.646 -15.490 11.534 1.00 0.00 N ATOM 251 CA MET A 21 5.748 -15.635 10.598 1.00 0.00 C ATOM 252 C MET A 21 5.869 -17.081 10.114 1.00 0.00 C ATOM 253 O MET A 21 5.597 -18.016 10.866 1.00 0.00 O ATOM 254 CB MET A 21 7.053 -15.212 11.274 1.00 0.00 C ATOM 255 CG MET A 21 7.611 -13.936 10.640 1.00 0.00 C ATOM 256 SD MET A 21 8.127 -12.796 11.913 1.00 0.00 S ATOM 257 CE MET A 21 9.804 -12.484 11.388 1.00 0.00 C ATOM 0 H MET A 21 4.915 -15.521 12.517 1.00 0.00 H new ATOM 0 HA MET A 21 5.553 -14.998 9.736 1.00 0.00 H new ATOM 0 HB2 MET A 21 6.879 -15.048 12.337 1.00 0.00 H new ATOM 0 HB3 MET A 21 7.786 -16.014 11.191 1.00 0.00 H new ATOM 0 HG2 MET A 21 8.455 -14.180 9.995 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.852 -13.471 10.010 1.00 0.00 H new ATOM 0 HE1 MET A 21 10.277 -11.786 12.078 1.00 0.00 H new ATOM 0 HE2 MET A 21 10.362 -13.420 11.379 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.798 -12.055 10.386 1.00 0.00 H new ATOM 267 N GLU A 22 6.278 -17.220 8.861 1.00 0.00 N ATOM 268 CA GLU A 22 6.439 -18.537 8.268 1.00 0.00 C ATOM 269 C GLU A 22 7.056 -18.419 6.873 1.00 0.00 C ATOM 270 O GLU A 22 6.397 -18.701 5.873 1.00 0.00 O ATOM 271 CB GLU A 22 5.103 -19.282 8.216 1.00 0.00 C ATOM 272 CG GLU A 22 5.321 -20.790 8.076 1.00 0.00 C ATOM 273 CD GLU A 22 3.997 -21.514 7.824 1.00 0.00 C ATOM 274 OE1 GLU A 22 3.171 -20.944 7.079 1.00 0.00 O ATOM 275 OE2 GLU A 22 3.841 -22.621 8.382 1.00 0.00 O ATOM 0 H GLU A 22 6.503 -16.442 8.240 1.00 0.00 H new ATOM 0 HA GLU A 22 7.116 -19.116 8.895 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.532 -19.076 9.121 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.511 -18.917 7.376 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.009 -20.987 7.254 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.786 -21.180 8.982 1.00 0.00 H new ATOM 282 N SER A 23 8.314 -18.003 6.851 1.00 0.00 N ATOM 283 CA SER A 23 9.027 -17.845 5.595 1.00 0.00 C ATOM 284 C SER A 23 8.099 -17.243 4.538 1.00 0.00 C ATOM 285 O SER A 23 7.564 -17.962 3.695 1.00 0.00 O ATOM 286 CB SER A 23 9.589 -19.182 5.108 1.00 0.00 C ATOM 287 OG SER A 23 10.818 -19.510 5.751 1.00 0.00 O ATOM 0 H SER A 23 8.857 -17.771 7.682 1.00 0.00 H new ATOM 0 HA SER A 23 9.865 -17.168 5.761 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.860 -19.971 5.294 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.744 -19.139 4.030 1.00 0.00 H new ATOM 0 HG SER A 23 11.144 -20.371 5.415 1.00 0.00 H new ATOM 293 N ALA A 24 7.935 -15.930 4.617 1.00 0.00 N ATOM 294 CA ALA A 24 7.081 -15.224 3.678 1.00 0.00 C ATOM 295 C ALA A 24 7.529 -13.764 3.586 1.00 0.00 C ATOM 296 O ALA A 24 7.301 -12.982 4.508 1.00 0.00 O ATOM 297 CB ALA A 24 5.621 -15.360 4.114 1.00 0.00 C ATOM 0 H ALA A 24 8.380 -15.337 5.318 1.00 0.00 H new ATOM 0 HA ALA A 24 7.165 -15.658 2.682 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.980 -14.830 3.409 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.344 -16.414 4.135 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.497 -14.933 5.109 1.00 0.00 H new ATOM 303 N GLN A 25 8.158 -13.441 2.466 1.00 0.00 N ATOM 304 CA GLN A 25 8.640 -12.089 2.242 1.00 0.00 C ATOM 305 C GLN A 25 7.823 -11.409 1.141 1.00 0.00 C ATOM 306 O GLN A 25 7.295 -12.077 0.254 1.00 0.00 O ATOM 307 CB GLN A 25 10.131 -12.088 1.898 1.00 0.00 C ATOM 308 CG GLN A 25 10.378 -12.728 0.530 1.00 0.00 C ATOM 309 CD GLN A 25 11.747 -13.411 0.484 1.00 0.00 C ATOM 310 OE1 GLN A 25 12.552 -13.308 1.395 1.00 0.00 O ATOM 311 NE2 GLN A 25 11.964 -14.113 -0.625 1.00 0.00 N ATOM 0 H GLN A 25 8.345 -14.092 1.704 1.00 0.00 H new ATOM 0 HA GLN A 25 8.513 -11.522 3.164 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.507 -11.065 1.898 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.685 -12.632 2.663 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.596 -13.458 0.319 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.321 -11.966 -0.248 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.247 -14.158 -1.349 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.848 -14.607 -0.751 1.00 0.00 H new ATOM 320 N PRO A 26 7.742 -10.055 1.238 1.00 0.00 N ATOM 321 CA PRO A 26 6.998 -9.278 0.261 1.00 0.00 C ATOM 322 C PRO A 26 7.767 -9.173 -1.057 1.00 0.00 C ATOM 323 O PRO A 26 8.890 -9.665 -1.166 1.00 0.00 O ATOM 324 CB PRO A 26 6.768 -7.930 0.924 1.00 0.00 C ATOM 325 CG PRO A 26 7.784 -7.840 2.050 1.00 0.00 C ATOM 326 CD PRO A 26 8.355 -9.231 2.275 1.00 0.00 C ATOM 0 HA PRO A 26 6.049 -9.741 -0.010 1.00 0.00 H new ATOM 0 HB2 PRO A 26 6.902 -7.116 0.211 1.00 0.00 H new ATOM 0 HB3 PRO A 26 5.751 -7.852 1.309 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.578 -7.139 1.793 1.00 0.00 H new ATOM 0 HG3 PRO A 26 7.313 -7.469 2.960 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.442 -9.231 2.190 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.113 -9.602 3.271 1.00 0.00 H new ATOM 334 N VAL A 27 7.133 -8.529 -2.026 1.00 0.00 N ATOM 335 CA VAL A 27 7.744 -8.353 -3.332 1.00 0.00 C ATOM 336 C VAL A 27 7.401 -6.962 -3.868 1.00 0.00 C ATOM 337 O VAL A 27 6.230 -6.589 -3.933 1.00 0.00 O ATOM 338 CB VAL A 27 7.306 -9.479 -4.271 1.00 0.00 C ATOM 339 CG1 VAL A 27 8.017 -10.789 -3.924 1.00 0.00 C ATOM 340 CG2 VAL A 27 5.787 -9.656 -4.244 1.00 0.00 C ATOM 0 H VAL A 27 6.202 -8.123 -1.932 1.00 0.00 H new ATOM 0 HA VAL A 27 8.830 -8.414 -3.256 1.00 0.00 H new ATOM 0 HB VAL A 27 7.592 -9.200 -5.285 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.688 -11.573 -4.606 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.095 -10.654 -4.018 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.775 -11.074 -2.900 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.503 -10.462 -4.920 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.467 -9.902 -3.231 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.307 -8.730 -4.561 1.00 0.00 H new ATOM 350 N ALA A 28 8.443 -6.231 -4.237 1.00 0.00 N ATOM 351 CA ALA A 28 8.266 -4.889 -4.765 1.00 0.00 C ATOM 352 C ALA A 28 7.285 -4.932 -5.938 1.00 0.00 C ATOM 353 O ALA A 28 7.689 -5.125 -7.083 1.00 0.00 O ATOM 354 CB ALA A 28 9.627 -4.314 -5.164 1.00 0.00 C ATOM 0 H ALA A 28 9.413 -6.543 -4.181 1.00 0.00 H new ATOM 0 HA ALA A 28 7.843 -4.231 -4.006 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.495 -3.307 -5.560 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.277 -4.277 -4.290 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.080 -4.947 -5.927 1.00 0.00 H new ATOM 360 N ASN A 29 6.014 -4.747 -5.611 1.00 0.00 N ATOM 361 CA ASN A 29 4.972 -4.762 -6.624 1.00 0.00 C ATOM 362 C ASN A 29 5.450 -3.987 -7.853 1.00 0.00 C ATOM 363 O ASN A 29 5.968 -2.879 -7.730 1.00 0.00 O ATOM 364 CB ASN A 29 3.695 -4.093 -6.110 1.00 0.00 C ATOM 365 CG ASN A 29 2.505 -4.415 -7.016 1.00 0.00 C ATOM 366 OD1 ASN A 29 2.278 -3.782 -8.034 1.00 0.00 O ATOM 367 ND2 ASN A 29 1.760 -5.430 -6.590 1.00 0.00 N ATOM 0 H ASN A 29 5.683 -4.586 -4.660 1.00 0.00 H new ATOM 0 HA ASN A 29 4.759 -5.801 -6.874 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.486 -4.431 -5.095 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.839 -3.014 -6.063 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.942 -5.722 -7.125 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.007 -5.917 -5.728 1.00 0.00 H new ATOM 374 N GLU A 30 5.258 -4.601 -9.012 1.00 0.00 N ATOM 375 CA GLU A 30 5.664 -3.983 -10.262 1.00 0.00 C ATOM 376 C GLU A 30 4.780 -2.772 -10.566 1.00 0.00 C ATOM 377 O GLU A 30 5.213 -1.834 -11.234 1.00 0.00 O ATOM 378 CB GLU A 30 5.624 -4.992 -11.411 1.00 0.00 C ATOM 379 CG GLU A 30 6.960 -5.728 -11.541 1.00 0.00 C ATOM 380 CD GLU A 30 7.516 -5.608 -12.961 1.00 0.00 C ATOM 381 OE1 GLU A 30 7.297 -4.537 -13.568 1.00 0.00 O ATOM 382 OE2 GLU A 30 8.147 -6.590 -13.408 1.00 0.00 O ATOM 0 H GLU A 30 4.827 -5.520 -9.111 1.00 0.00 H new ATOM 0 HA GLU A 30 6.694 -3.641 -10.158 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.823 -5.712 -11.240 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.396 -4.477 -12.344 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.677 -5.317 -10.830 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.826 -6.779 -11.287 1.00 0.00 H new ATOM 389 N GLU A 31 3.556 -2.831 -10.062 1.00 0.00 N ATOM 390 CA GLU A 31 2.607 -1.750 -10.271 1.00 0.00 C ATOM 391 C GLU A 31 2.964 -0.552 -9.389 1.00 0.00 C ATOM 392 O GLU A 31 3.079 0.570 -9.877 1.00 0.00 O ATOM 393 CB GLU A 31 1.175 -2.219 -10.007 1.00 0.00 C ATOM 394 CG GLU A 31 0.257 -1.867 -11.179 1.00 0.00 C ATOM 395 CD GLU A 31 -0.933 -1.027 -10.710 1.00 0.00 C ATOM 396 OE1 GLU A 31 -1.655 -1.515 -9.815 1.00 0.00 O ATOM 397 OE2 GLU A 31 -1.093 0.085 -11.258 1.00 0.00 O ATOM 0 H GLU A 31 3.199 -3.611 -9.509 1.00 0.00 H new ATOM 0 HA GLU A 31 2.665 -1.438 -11.314 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.166 -3.297 -9.844 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.799 -1.756 -9.095 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.819 -1.318 -11.934 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.102 -2.781 -11.652 1.00 0.00 H new ATOM 404 N ILE A 32 3.128 -0.832 -8.104 1.00 0.00 N ATOM 405 CA ILE A 32 3.469 0.208 -7.149 1.00 0.00 C ATOM 406 C ILE A 32 4.803 0.843 -7.548 1.00 0.00 C ATOM 407 O ILE A 32 4.966 2.059 -7.462 1.00 0.00 O ATOM 408 CB ILE A 32 3.454 -0.347 -5.724 1.00 0.00 C ATOM 409 CG1 ILE A 32 2.126 -1.045 -5.421 1.00 0.00 C ATOM 410 CG2 ILE A 32 3.770 0.749 -4.705 1.00 0.00 C ATOM 411 CD1 ILE A 32 2.060 -1.488 -3.958 1.00 0.00 C ATOM 0 H ILE A 32 3.031 -1.765 -7.702 1.00 0.00 H new ATOM 0 HA ILE A 32 2.721 1.000 -7.165 1.00 0.00 H new ATOM 0 HB ILE A 32 4.239 -1.099 -5.643 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.298 -0.370 -5.638 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.009 -1.911 -6.072 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.753 0.327 -3.700 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.758 1.161 -4.909 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.024 1.541 -4.779 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.106 -1.981 -3.770 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.874 -2.182 -3.751 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.152 -0.617 -3.310 1.00 0.00 H new ATOM 423 N VAL A 33 5.723 -0.010 -7.975 1.00 0.00 N ATOM 424 CA VAL A 33 7.038 0.453 -8.387 1.00 0.00 C ATOM 425 C VAL A 33 6.914 1.220 -9.705 1.00 0.00 C ATOM 426 O VAL A 33 7.494 2.294 -9.858 1.00 0.00 O ATOM 427 CB VAL A 33 8.005 -0.730 -8.472 1.00 0.00 C ATOM 428 CG1 VAL A 33 9.365 -0.287 -9.017 1.00 0.00 C ATOM 429 CG2 VAL A 33 8.156 -1.414 -7.112 1.00 0.00 C ATOM 0 H VAL A 33 5.584 -1.018 -8.045 1.00 0.00 H new ATOM 0 HA VAL A 33 7.450 1.141 -7.649 1.00 0.00 H new ATOM 0 HB VAL A 33 7.585 -1.457 -9.167 1.00 0.00 H new ATOM 0 HG11 VAL A 33 10.034 -1.146 -9.068 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.238 0.133 -10.015 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.793 0.468 -8.357 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.848 -2.251 -7.201 1.00 0.00 H new ATOM 0 HG22 VAL A 33 8.542 -0.699 -6.386 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.185 -1.780 -6.779 1.00 0.00 H new ATOM 439 N ALA A 34 6.154 0.639 -10.622 1.00 0.00 N ATOM 440 CA ALA A 34 5.947 1.255 -11.921 1.00 0.00 C ATOM 441 C ALA A 34 5.341 2.647 -11.730 1.00 0.00 C ATOM 442 O ALA A 34 5.612 3.558 -12.511 1.00 0.00 O ATOM 443 CB ALA A 34 5.064 0.348 -12.781 1.00 0.00 C ATOM 0 H ALA A 34 5.674 -0.252 -10.491 1.00 0.00 H new ATOM 0 HA ALA A 34 6.896 1.377 -12.443 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.908 0.810 -13.756 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.552 -0.618 -12.911 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.102 0.205 -12.290 1.00 0.00 H new ATOM 449 N GLN A 35 4.533 2.768 -10.687 1.00 0.00 N ATOM 450 CA GLN A 35 3.887 4.033 -10.384 1.00 0.00 C ATOM 451 C GLN A 35 4.899 5.019 -9.797 1.00 0.00 C ATOM 452 O GLN A 35 4.961 6.174 -10.216 1.00 0.00 O ATOM 453 CB GLN A 35 2.704 3.832 -9.435 1.00 0.00 C ATOM 454 CG GLN A 35 1.525 3.178 -10.158 1.00 0.00 C ATOM 455 CD GLN A 35 0.199 3.800 -9.718 1.00 0.00 C ATOM 456 OE1 GLN A 35 0.040 5.008 -9.656 1.00 0.00 O ATOM 457 NE2 GLN A 35 -0.742 2.909 -9.416 1.00 0.00 N ATOM 0 H GLN A 35 4.311 2.010 -10.041 1.00 0.00 H new ATOM 0 HA GLN A 35 3.498 4.451 -11.313 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.010 3.210 -8.594 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.395 4.793 -9.024 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.645 3.293 -11.235 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.515 2.108 -9.951 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.542 1.911 -9.490 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.663 3.224 -9.111 1.00 0.00 H new ATOM 466 N LEU A 36 5.668 4.527 -8.837 1.00 0.00 N ATOM 467 CA LEU A 36 6.675 5.350 -8.188 1.00 0.00 C ATOM 468 C LEU A 36 7.749 5.733 -9.209 1.00 0.00 C ATOM 469 O LEU A 36 8.026 6.915 -9.409 1.00 0.00 O ATOM 470 CB LEU A 36 7.228 4.643 -6.949 1.00 0.00 C ATOM 471 CG LEU A 36 6.231 4.402 -5.814 1.00 0.00 C ATOM 472 CD1 LEU A 36 6.645 3.196 -4.968 1.00 0.00 C ATOM 473 CD2 LEU A 36 6.050 5.662 -4.966 1.00 0.00 C ATOM 0 H LEU A 36 5.614 3.568 -8.493 1.00 0.00 H new ATOM 0 HA LEU A 36 6.233 6.278 -7.826 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.638 3.681 -7.257 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.057 5.233 -6.558 1.00 0.00 H new ATOM 0 HG LEU A 36 5.262 4.169 -6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.920 3.046 -4.168 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.681 2.306 -5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.630 3.375 -4.536 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.336 5.463 -4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.008 5.950 -4.534 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.676 6.472 -5.593 1.00 0.00 H new ATOM 485 N VAL A 37 8.323 4.712 -9.827 1.00 0.00 N ATOM 486 CA VAL A 37 9.361 4.927 -10.821 1.00 0.00 C ATOM 487 C VAL A 37 8.896 5.994 -11.814 1.00 0.00 C ATOM 488 O VAL A 37 9.716 6.658 -12.447 1.00 0.00 O ATOM 489 CB VAL A 37 9.723 3.602 -11.494 1.00 0.00 C ATOM 490 CG1 VAL A 37 10.713 3.821 -12.640 1.00 0.00 C ATOM 491 CG2 VAL A 37 10.276 2.603 -10.476 1.00 0.00 C ATOM 0 H VAL A 37 8.089 3.733 -9.659 1.00 0.00 H new ATOM 0 HA VAL A 37 10.272 5.296 -10.349 1.00 0.00 H new ATOM 0 HB VAL A 37 8.810 3.181 -11.916 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.953 2.863 -13.101 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.267 4.481 -13.385 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.624 4.276 -12.252 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.525 1.670 -10.981 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.172 3.015 -10.012 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.525 2.412 -9.709 1.00 0.00 H new ATOM 501 N SER A 38 7.582 6.127 -11.919 1.00 0.00 N ATOM 502 CA SER A 38 6.999 7.103 -12.824 1.00 0.00 C ATOM 503 C SER A 38 6.925 8.470 -12.143 1.00 0.00 C ATOM 504 O SER A 38 7.217 9.493 -12.761 1.00 0.00 O ATOM 505 CB SER A 38 5.607 6.663 -13.285 1.00 0.00 C ATOM 506 OG SER A 38 5.536 6.514 -14.700 1.00 0.00 O ATOM 0 H SER A 38 6.905 5.575 -11.392 1.00 0.00 H new ATOM 0 HA SER A 38 7.638 7.178 -13.704 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.349 5.718 -12.807 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.869 7.396 -12.960 1.00 0.00 H new ATOM 0 HG SER A 38 4.633 6.231 -14.954 1.00 0.00 H new ATOM 512 N MET A 39 6.533 8.445 -10.877 1.00 0.00 N ATOM 513 CA MET A 39 6.417 9.670 -10.105 1.00 0.00 C ATOM 514 C MET A 39 7.730 10.455 -10.122 1.00 0.00 C ATOM 515 O MET A 39 7.725 11.682 -10.027 1.00 0.00 O ATOM 516 CB MET A 39 6.044 9.330 -8.661 1.00 0.00 C ATOM 517 CG MET A 39 4.569 8.938 -8.553 1.00 0.00 C ATOM 518 SD MET A 39 4.034 9.034 -6.853 1.00 0.00 S ATOM 519 CE MET A 39 3.597 7.326 -6.568 1.00 0.00 C ATOM 0 H MET A 39 6.292 7.595 -10.367 1.00 0.00 H new ATOM 0 HA MET A 39 5.640 10.288 -10.554 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.669 8.511 -8.304 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.244 10.188 -8.019 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.962 9.599 -9.172 1.00 0.00 H new ATOM 0 HG3 MET A 39 4.425 7.926 -8.932 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.871 7.045 -5.551 1.00 0.00 H new ATOM 0 HE2 MET A 39 2.523 7.198 -6.703 1.00 0.00 H new ATOM 0 HE3 MET A 39 4.130 6.691 -7.276 1.00 0.00 H new ATOM 529 N GLY A 40 8.823 9.716 -10.243 1.00 0.00 N ATOM 530 CA GLY A 40 10.140 10.328 -10.274 1.00 0.00 C ATOM 531 C GLY A 40 11.014 9.805 -9.132 1.00 0.00 C ATOM 532 O GLY A 40 11.746 10.569 -8.505 1.00 0.00 O ATOM 0 H GLY A 40 8.823 8.699 -10.321 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.620 10.118 -11.230 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.044 11.411 -10.197 1.00 0.00 H new ATOM 536 N PHE A 41 10.909 8.505 -8.897 1.00 0.00 N ATOM 537 CA PHE A 41 11.681 7.871 -7.842 1.00 0.00 C ATOM 538 C PHE A 41 12.630 6.817 -8.415 1.00 0.00 C ATOM 539 O PHE A 41 12.594 6.528 -9.610 1.00 0.00 O ATOM 540 CB PHE A 41 10.682 7.185 -6.907 1.00 0.00 C ATOM 541 CG PHE A 41 9.978 8.141 -5.941 1.00 0.00 C ATOM 542 CD1 PHE A 41 8.819 8.750 -6.311 1.00 0.00 C ATOM 543 CD2 PHE A 41 10.510 8.381 -4.713 1.00 0.00 C ATOM 544 CE1 PHE A 41 8.165 9.636 -5.415 1.00 0.00 C ATOM 545 CE2 PHE A 41 9.856 9.267 -3.817 1.00 0.00 C ATOM 546 CZ PHE A 41 8.698 9.876 -4.186 1.00 0.00 C ATOM 0 H PHE A 41 10.301 7.874 -9.419 1.00 0.00 H new ATOM 0 HA PHE A 41 12.281 8.617 -7.321 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.930 6.673 -7.508 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.204 6.421 -6.331 1.00 0.00 H new ATOM 0 HD1 PHE A 41 8.396 8.559 -7.286 1.00 0.00 H new ATOM 0 HD2 PHE A 41 11.430 7.898 -4.419 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.245 10.119 -5.709 1.00 0.00 H new ATOM 0 HE2 PHE A 41 10.279 9.457 -2.842 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.201 10.550 -3.504 1.00 0.00 H new ATOM 556 N SER A 42 13.457 6.271 -7.535 1.00 0.00 N ATOM 557 CA SER A 42 14.415 5.255 -7.939 1.00 0.00 C ATOM 558 C SER A 42 13.788 3.865 -7.812 1.00 0.00 C ATOM 559 O SER A 42 13.430 3.439 -6.715 1.00 0.00 O ATOM 560 CB SER A 42 15.693 5.339 -7.102 1.00 0.00 C ATOM 561 OG SER A 42 15.839 6.612 -6.477 1.00 0.00 O ATOM 0 H SER A 42 13.484 6.513 -6.544 1.00 0.00 H new ATOM 0 HA SER A 42 14.683 5.432 -8.981 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.679 4.560 -6.340 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.557 5.146 -7.738 1.00 0.00 H new ATOM 0 HG SER A 42 15.562 6.550 -5.539 1.00 0.00 H new ATOM 567 N GLN A 43 13.674 3.196 -8.950 1.00 0.00 N ATOM 568 CA GLN A 43 13.097 1.863 -8.980 1.00 0.00 C ATOM 569 C GLN A 43 13.543 1.064 -7.754 1.00 0.00 C ATOM 570 O GLN A 43 12.715 0.643 -6.947 1.00 0.00 O ATOM 571 CB GLN A 43 13.465 1.135 -10.274 1.00 0.00 C ATOM 572 CG GLN A 43 12.799 -0.241 -10.337 1.00 0.00 C ATOM 573 CD GLN A 43 13.319 -1.048 -11.529 1.00 0.00 C ATOM 574 OE1 GLN A 43 14.488 -1.010 -11.875 1.00 0.00 O ATOM 575 NE2 GLN A 43 12.387 -1.777 -12.136 1.00 0.00 N ATOM 0 H GLN A 43 13.972 3.552 -9.858 1.00 0.00 H new ATOM 0 HA GLN A 43 12.011 1.957 -8.952 1.00 0.00 H new ATOM 0 HB2 GLN A 43 13.156 1.732 -11.132 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.547 1.022 -10.337 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.992 -0.785 -9.413 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.718 -0.123 -10.417 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.426 -1.763 -11.794 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.633 -2.350 -12.943 1.00 0.00 H new ATOM 584 N LEU A 44 14.851 0.878 -7.653 1.00 0.00 N ATOM 585 CA LEU A 44 15.417 0.136 -6.539 1.00 0.00 C ATOM 586 C LEU A 44 14.680 0.515 -5.253 1.00 0.00 C ATOM 587 O LEU A 44 14.168 -0.354 -4.548 1.00 0.00 O ATOM 588 CB LEU A 44 16.930 0.350 -6.467 1.00 0.00 C ATOM 589 CG LEU A 44 17.581 0.090 -5.106 1.00 0.00 C ATOM 590 CD1 LEU A 44 17.821 -1.405 -4.890 1.00 0.00 C ATOM 591 CD2 LEU A 44 18.865 0.906 -4.948 1.00 0.00 C ATOM 0 H LEU A 44 15.535 1.228 -8.324 1.00 0.00 H new ATOM 0 HA LEU A 44 15.276 -0.935 -6.683 1.00 0.00 H new ATOM 0 HB2 LEU A 44 17.404 -0.298 -7.204 1.00 0.00 H new ATOM 0 HB3 LEU A 44 17.146 1.377 -6.760 1.00 0.00 H new ATOM 0 HG LEU A 44 16.892 0.421 -4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 44 18.284 -1.562 -3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 44 16.870 -1.936 -4.929 1.00 0.00 H new ATOM 0 HD13 LEU A 44 18.480 -1.784 -5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 44 19.307 0.703 -3.973 1.00 0.00 H new ATOM 0 HD22 LEU A 44 19.571 0.629 -5.731 1.00 0.00 H new ATOM 0 HD23 LEU A 44 18.633 1.968 -5.027 1.00 0.00 H new ATOM 603 N HIS A 45 14.651 1.812 -4.985 1.00 0.00 N ATOM 604 CA HIS A 45 13.985 2.316 -3.796 1.00 0.00 C ATOM 605 C HIS A 45 12.491 1.997 -3.870 1.00 0.00 C ATOM 606 O HIS A 45 11.927 1.425 -2.937 1.00 0.00 O ATOM 607 CB HIS A 45 14.264 3.809 -3.609 1.00 0.00 C ATOM 608 CG HIS A 45 15.700 4.202 -3.861 1.00 0.00 C ATOM 609 ND1 HIS A 45 16.069 5.471 -4.270 1.00 0.00 N ATOM 610 CD2 HIS A 45 16.853 3.480 -3.755 1.00 0.00 C ATOM 611 CE1 HIS A 45 17.387 5.501 -4.403 1.00 0.00 C ATOM 612 NE2 HIS A 45 17.871 4.266 -4.084 1.00 0.00 N ATOM 0 H HIS A 45 15.078 2.529 -5.571 1.00 0.00 H new ATOM 0 HA HIS A 45 14.384 1.817 -2.913 1.00 0.00 H new ATOM 0 HB2 HIS A 45 13.620 4.375 -4.281 1.00 0.00 H new ATOM 0 HB3 HIS A 45 13.993 4.094 -2.592 1.00 0.00 H new ATOM 0 HD2 HIS A 45 16.925 2.445 -3.455 1.00 0.00 H new ATOM 0 HE1 HIS A 45 17.975 6.353 -4.710 1.00 0.00 H new ATOM 0 HE2 HIS A 45 18.853 3.992 -4.096 1.00 0.00 H new ATOM 620 N CYS A 46 11.891 2.379 -4.988 1.00 0.00 N ATOM 621 CA CYS A 46 10.473 2.141 -5.196 1.00 0.00 C ATOM 622 C CYS A 46 10.157 0.710 -4.755 1.00 0.00 C ATOM 623 O CYS A 46 9.128 0.462 -4.129 1.00 0.00 O ATOM 624 CB CYS A 46 10.063 2.395 -6.648 1.00 0.00 C ATOM 625 SG CYS A 46 10.346 4.150 -7.080 1.00 0.00 S ATOM 0 H CYS A 46 12.362 2.852 -5.760 1.00 0.00 H new ATOM 0 HA CYS A 46 9.892 2.842 -4.596 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.637 1.751 -7.314 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.012 2.143 -6.787 1.00 0.00 H new ATOM 0 HG CYS A 46 10.411 4.274 -8.372 1.00 0.00 H new ATOM 631 N GLN A 47 11.061 -0.195 -5.101 1.00 0.00 N ATOM 632 CA GLN A 47 10.892 -1.594 -4.749 1.00 0.00 C ATOM 633 C GLN A 47 10.901 -1.765 -3.228 1.00 0.00 C ATOM 634 O GLN A 47 9.927 -2.243 -2.648 1.00 0.00 O ATOM 635 CB GLN A 47 11.971 -2.459 -5.404 1.00 0.00 C ATOM 636 CG GLN A 47 11.843 -2.434 -6.928 1.00 0.00 C ATOM 637 CD GLN A 47 13.062 -3.078 -7.591 1.00 0.00 C ATOM 638 OE1 GLN A 47 14.203 -2.782 -7.274 1.00 0.00 O ATOM 639 NE2 GLN A 47 12.759 -3.973 -8.527 1.00 0.00 N ATOM 0 H GLN A 47 11.913 0.014 -5.622 1.00 0.00 H new ATOM 0 HA GLN A 47 9.926 -1.928 -5.127 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.958 -2.099 -5.112 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.887 -3.485 -5.045 1.00 0.00 H new ATOM 0 HG2 GLN A 47 10.939 -2.963 -7.229 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.739 -1.405 -7.271 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.783 -4.174 -8.744 1.00 0.00 H new ATOM 0 HE22 GLN A 47 13.503 -4.459 -9.028 1.00 0.00 H new ATOM 648 N LYS A 48 12.011 -1.363 -2.627 1.00 0.00 N ATOM 649 CA LYS A 48 12.159 -1.466 -1.185 1.00 0.00 C ATOM 650 C LYS A 48 10.929 -0.860 -0.506 1.00 0.00 C ATOM 651 O LYS A 48 10.231 -1.542 0.243 1.00 0.00 O ATOM 652 CB LYS A 48 13.481 -0.837 -0.737 1.00 0.00 C ATOM 653 CG LYS A 48 14.666 -1.733 -1.104 1.00 0.00 C ATOM 654 CD LYS A 48 15.993 -1.053 -0.761 1.00 0.00 C ATOM 655 CE LYS A 48 17.123 -2.079 -0.658 1.00 0.00 C ATOM 656 NZ LYS A 48 17.673 -2.108 0.716 1.00 0.00 N ATOM 0 H LYS A 48 12.816 -0.966 -3.112 1.00 0.00 H new ATOM 0 HA LYS A 48 12.209 -2.511 -0.880 1.00 0.00 H new ATOM 0 HB2 LYS A 48 13.600 0.140 -1.205 1.00 0.00 H new ATOM 0 HB3 LYS A 48 13.464 -0.674 0.341 1.00 0.00 H new ATOM 0 HG2 LYS A 48 14.590 -2.680 -0.570 1.00 0.00 H new ATOM 0 HG3 LYS A 48 14.636 -1.964 -2.169 1.00 0.00 H new ATOM 0 HD2 LYS A 48 16.236 -0.315 -1.525 1.00 0.00 H new ATOM 0 HD3 LYS A 48 15.897 -0.516 0.183 1.00 0.00 H new ATOM 0 HE2 LYS A 48 16.751 -3.067 -0.928 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.913 -1.831 -1.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.439 -2.810 0.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.047 -1.169 0.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.920 -2.366 1.386 1.00 0.00 H new ATOM 670 N ALA A 49 10.701 0.413 -0.792 1.00 0.00 N ATOM 671 CA ALA A 49 9.567 1.117 -0.218 1.00 0.00 C ATOM 672 C ALA A 49 8.359 0.180 -0.173 1.00 0.00 C ATOM 673 O ALA A 49 7.957 -0.270 0.899 1.00 0.00 O ATOM 674 CB ALA A 49 9.291 2.386 -1.027 1.00 0.00 C ATOM 0 H ALA A 49 11.282 0.975 -1.414 1.00 0.00 H new ATOM 0 HA ALA A 49 9.784 1.423 0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.440 2.914 -0.596 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.169 3.031 -1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.067 2.118 -2.059 1.00 0.00 H new ATOM 680 N ALA A 50 7.814 -0.088 -1.351 1.00 0.00 N ATOM 681 CA ALA A 50 6.660 -0.964 -1.460 1.00 0.00 C ATOM 682 C ALA A 50 6.859 -2.178 -0.550 1.00 0.00 C ATOM 683 O ALA A 50 6.064 -2.414 0.358 1.00 0.00 O ATOM 684 CB ALA A 50 6.456 -1.359 -2.924 1.00 0.00 C ATOM 0 H ALA A 50 8.151 0.286 -2.238 1.00 0.00 H new ATOM 0 HA ALA A 50 5.756 -0.451 -1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.590 -2.016 -3.006 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.290 -0.463 -3.523 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.342 -1.879 -3.287 1.00 0.00 H new ATOM 690 N ILE A 51 7.925 -2.915 -0.826 1.00 0.00 N ATOM 691 CA ILE A 51 8.238 -4.099 -0.044 1.00 0.00 C ATOM 692 C ILE A 51 8.130 -3.764 1.445 1.00 0.00 C ATOM 693 O ILE A 51 7.376 -4.404 2.176 1.00 0.00 O ATOM 694 CB ILE A 51 9.601 -4.664 -0.450 1.00 0.00 C ATOM 695 CG1 ILE A 51 9.575 -5.175 -1.892 1.00 0.00 C ATOM 696 CG2 ILE A 51 10.061 -5.743 0.532 1.00 0.00 C ATOM 697 CD1 ILE A 51 10.929 -5.765 -2.289 1.00 0.00 C ATOM 0 H ILE A 51 8.582 -2.715 -1.580 1.00 0.00 H new ATOM 0 HA ILE A 51 7.517 -4.891 -0.246 1.00 0.00 H new ATOM 0 HB ILE A 51 10.332 -3.857 -0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 51 8.799 -5.933 -1.999 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.318 -4.358 -2.566 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.032 -6.128 0.221 1.00 0.00 H new ATOM 0 HG22 ILE A 51 10.144 -5.315 1.531 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.335 -6.556 0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.883 -6.121 -3.318 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.699 -4.998 -2.204 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.171 -6.597 -1.628 1.00 0.00 H new ATOM 709 N ASN A 52 8.896 -2.762 1.851 1.00 0.00 N ATOM 710 CA ASN A 52 8.896 -2.335 3.239 1.00 0.00 C ATOM 711 C ASN A 52 7.453 -2.143 3.709 1.00 0.00 C ATOM 712 O ASN A 52 7.165 -2.247 4.901 1.00 0.00 O ATOM 713 CB ASN A 52 9.629 -1.002 3.406 1.00 0.00 C ATOM 714 CG ASN A 52 11.100 -1.226 3.761 1.00 0.00 C ATOM 715 OD1 ASN A 52 11.474 -1.353 4.916 1.00 0.00 O ATOM 716 ND2 ASN A 52 11.911 -1.266 2.708 1.00 0.00 N ATOM 0 H ASN A 52 9.521 -2.234 1.242 1.00 0.00 H new ATOM 0 HA ASN A 52 9.402 -3.101 3.827 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.558 -0.426 2.484 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.148 -0.414 4.188 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.912 -1.410 2.840 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.532 -1.153 1.768 1.00 0.00 H new ATOM 723 N THR A 53 6.584 -1.865 2.749 1.00 0.00 N ATOM 724 CA THR A 53 5.177 -1.657 3.050 1.00 0.00 C ATOM 725 C THR A 53 4.325 -2.747 2.395 1.00 0.00 C ATOM 726 O THR A 53 3.164 -2.515 2.061 1.00 0.00 O ATOM 727 CB THR A 53 4.802 -0.242 2.603 1.00 0.00 C ATOM 728 OG1 THR A 53 5.527 -0.058 1.390 1.00 0.00 O ATOM 729 CG2 THR A 53 5.359 0.834 3.538 1.00 0.00 C ATOM 0 H THR A 53 6.826 -1.779 1.762 1.00 0.00 H new ATOM 0 HA THR A 53 4.985 -1.737 4.120 1.00 0.00 H new ATOM 0 HB THR A 53 3.717 -0.152 2.553 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.418 0.297 1.592 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.064 1.819 3.176 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.963 0.683 4.542 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.447 0.767 3.563 1.00 0.00 H new ATOM 737 N SER A 54 4.935 -3.911 2.232 1.00 0.00 N ATOM 738 CA SER A 54 4.247 -5.037 1.624 1.00 0.00 C ATOM 739 C SER A 54 3.403 -4.558 0.441 1.00 0.00 C ATOM 740 O SER A 54 2.336 -5.108 0.173 1.00 0.00 O ATOM 741 CB SER A 54 3.368 -5.762 2.645 1.00 0.00 C ATOM 742 OG SER A 54 3.761 -7.121 2.819 1.00 0.00 O ATOM 0 H SER A 54 5.898 -4.099 2.510 1.00 0.00 H new ATOM 0 HA SER A 54 4.996 -5.742 1.265 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.422 -5.244 3.602 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.328 -5.724 2.320 1.00 0.00 H new ATOM 0 HG SER A 54 3.177 -7.548 3.480 1.00 0.00 H new ATOM 748 N ASN A 55 3.912 -3.538 -0.234 1.00 0.00 N ATOM 749 CA ASN A 55 3.219 -2.979 -1.381 1.00 0.00 C ATOM 750 C ASN A 55 1.746 -2.764 -1.026 1.00 0.00 C ATOM 751 O ASN A 55 0.866 -2.966 -1.862 1.00 0.00 O ATOM 752 CB ASN A 55 3.283 -3.927 -2.580 1.00 0.00 C ATOM 753 CG ASN A 55 3.934 -5.256 -2.193 1.00 0.00 C ATOM 754 OD1 ASN A 55 5.260 -5.203 -2.102 1.00 0.00 O flip ATOM 755 ND2 ASN A 55 3.277 -6.264 -1.991 1.00 0.00 N flip ATOM 0 H ASN A 55 4.797 -3.084 -0.008 1.00 0.00 H new ATOM 0 HA ASN A 55 3.702 -2.037 -1.641 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.277 -4.107 -2.960 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.850 -3.462 -3.387 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.261 -6.237 -2.078 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.744 -7.134 -1.735 1.00 0.00 H new ATOM 762 N ALA A 56 1.522 -2.358 0.215 1.00 0.00 N ATOM 763 CA ALA A 56 0.171 -2.115 0.691 1.00 0.00 C ATOM 764 C ALA A 56 -0.532 -1.142 -0.259 1.00 0.00 C ATOM 765 O ALA A 56 -1.705 -1.323 -0.582 1.00 0.00 O ATOM 766 CB ALA A 56 0.222 -1.592 2.128 1.00 0.00 C ATOM 0 H ALA A 56 2.254 -2.191 0.906 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.405 -3.040 0.701 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.792 -1.410 2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.704 -2.331 2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.790 -0.662 2.157 1.00 0.00 H new ATOM 772 N GLY A 57 0.215 -0.132 -0.679 1.00 0.00 N ATOM 773 CA GLY A 57 -0.322 0.869 -1.585 1.00 0.00 C ATOM 774 C GLY A 57 0.786 1.787 -2.106 1.00 0.00 C ATOM 775 O GLY A 57 1.858 1.874 -1.509 1.00 0.00 O ATOM 0 H GLY A 57 1.188 0.015 -0.409 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.817 0.378 -2.423 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.079 1.462 -1.071 1.00 0.00 H new ATOM 779 N VAL A 58 0.489 2.449 -3.215 1.00 0.00 N ATOM 780 CA VAL A 58 1.447 3.357 -3.824 1.00 0.00 C ATOM 781 C VAL A 58 1.845 4.428 -2.806 1.00 0.00 C ATOM 782 O VAL A 58 3.024 4.749 -2.668 1.00 0.00 O ATOM 783 CB VAL A 58 0.866 3.943 -5.112 1.00 0.00 C ATOM 784 CG1 VAL A 58 1.669 5.162 -5.571 1.00 0.00 C ATOM 785 CG2 VAL A 58 0.798 2.885 -6.214 1.00 0.00 C ATOM 0 H VAL A 58 -0.401 2.375 -3.708 1.00 0.00 H new ATOM 0 HA VAL A 58 2.354 2.823 -4.106 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.151 4.272 -4.901 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.235 5.559 -6.489 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.643 5.928 -4.796 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.702 4.868 -5.756 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.381 3.328 -7.119 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.801 2.511 -6.422 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.164 2.061 -5.888 1.00 0.00 H new ATOM 795 N GLU A 59 0.839 4.951 -2.120 1.00 0.00 N ATOM 796 CA GLU A 59 1.070 5.978 -1.120 1.00 0.00 C ATOM 797 C GLU A 59 1.997 5.452 -0.022 1.00 0.00 C ATOM 798 O GLU A 59 2.906 6.154 0.418 1.00 0.00 O ATOM 799 CB GLU A 59 -0.251 6.476 -0.530 1.00 0.00 C ATOM 800 CG GLU A 59 -0.626 5.682 0.723 1.00 0.00 C ATOM 801 CD GLU A 59 -2.012 6.084 1.233 1.00 0.00 C ATOM 802 OE1 GLU A 59 -2.995 5.702 0.563 1.00 0.00 O ATOM 803 OE2 GLU A 59 -2.055 6.764 2.281 1.00 0.00 O ATOM 0 H GLU A 59 -0.138 4.682 -2.238 1.00 0.00 H new ATOM 0 HA GLU A 59 1.556 6.825 -1.604 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.167 7.534 -0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.043 6.384 -1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.612 4.615 0.500 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.116 5.854 1.503 1.00 0.00 H new ATOM 810 N GLU A 60 1.734 4.220 0.389 1.00 0.00 N ATOM 811 CA GLU A 60 2.533 3.591 1.427 1.00 0.00 C ATOM 812 C GLU A 60 3.991 3.472 0.976 1.00 0.00 C ATOM 813 O GLU A 60 4.904 3.834 1.716 1.00 0.00 O ATOM 814 CB GLU A 60 1.963 2.223 1.805 1.00 0.00 C ATOM 815 CG GLU A 60 1.104 2.316 3.068 1.00 0.00 C ATOM 816 CD GLU A 60 1.204 1.033 3.895 1.00 0.00 C ATOM 817 OE1 GLU A 60 2.346 0.550 4.057 1.00 0.00 O ATOM 818 OE2 GLU A 60 0.137 0.565 4.348 1.00 0.00 O ATOM 0 H GLU A 60 0.979 3.641 0.022 1.00 0.00 H new ATOM 0 HA GLU A 60 2.498 4.220 2.316 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.364 1.835 0.981 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.778 1.518 1.967 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.426 3.166 3.669 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.065 2.495 2.793 1.00 0.00 H new ATOM 825 N ALA A 61 4.162 2.965 -0.235 1.00 0.00 N ATOM 826 CA ALA A 61 5.493 2.794 -0.793 1.00 0.00 C ATOM 827 C ALA A 61 6.249 4.121 -0.713 1.00 0.00 C ATOM 828 O ALA A 61 7.339 4.186 -0.146 1.00 0.00 O ATOM 829 CB ALA A 61 5.382 2.271 -2.227 1.00 0.00 C ATOM 0 H ALA A 61 3.402 2.667 -0.846 1.00 0.00 H new ATOM 0 HA ALA A 61 6.058 2.058 -0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.380 2.143 -2.646 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.863 1.312 -2.226 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.824 2.985 -2.832 1.00 0.00 H new ATOM 835 N MET A 62 5.642 5.148 -1.290 1.00 0.00 N ATOM 836 CA MET A 62 6.244 6.470 -1.291 1.00 0.00 C ATOM 837 C MET A 62 6.506 6.954 0.137 1.00 0.00 C ATOM 838 O MET A 62 7.617 7.369 0.461 1.00 0.00 O ATOM 839 CB MET A 62 5.313 7.455 -2.002 1.00 0.00 C ATOM 840 CG MET A 62 6.113 8.486 -2.800 1.00 0.00 C ATOM 841 SD MET A 62 5.188 10.006 -2.933 1.00 0.00 S ATOM 842 CE MET A 62 3.585 9.356 -3.374 1.00 0.00 C ATOM 0 H MET A 62 4.739 5.091 -1.760 1.00 0.00 H new ATOM 0 HA MET A 62 7.197 6.414 -1.816 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.645 6.912 -2.670 1.00 0.00 H new ATOM 0 HB3 MET A 62 4.687 7.963 -1.269 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.069 8.674 -2.311 1.00 0.00 H new ATOM 0 HG3 MET A 62 6.334 8.097 -3.794 1.00 0.00 H new ATOM 0 HE1 MET A 62 3.041 10.096 -3.960 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.710 8.447 -3.963 1.00 0.00 H new ATOM 0 HE3 MET A 62 3.024 9.127 -2.468 1.00 0.00 H new ATOM 852 N ASN A 63 5.463 6.886 0.951 1.00 0.00 N ATOM 853 CA ASN A 63 5.566 7.312 2.336 1.00 0.00 C ATOM 854 C ASN A 63 6.857 6.757 2.942 1.00 0.00 C ATOM 855 O ASN A 63 7.540 7.448 3.697 1.00 0.00 O ATOM 856 CB ASN A 63 4.392 6.785 3.164 1.00 0.00 C ATOM 857 CG ASN A 63 3.681 7.926 3.895 1.00 0.00 C ATOM 858 OD1 ASN A 63 4.279 8.914 4.288 1.00 0.00 O ATOM 859 ND2 ASN A 63 2.374 7.735 4.054 1.00 0.00 N ATOM 0 H ASN A 63 4.542 6.542 0.678 1.00 0.00 H new ATOM 0 HA ASN A 63 5.560 8.402 2.354 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.686 6.269 2.513 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.752 6.053 3.887 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.810 8.439 4.529 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.936 6.884 3.700 1.00 0.00 H new ATOM 866 N TRP A 64 7.153 5.515 2.587 1.00 0.00 N ATOM 867 CA TRP A 64 8.350 4.860 3.086 1.00 0.00 C ATOM 868 C TRP A 64 9.564 5.567 2.479 1.00 0.00 C ATOM 869 O TRP A 64 10.553 5.810 3.168 1.00 0.00 O ATOM 870 CB TRP A 64 8.320 3.360 2.785 1.00 0.00 C ATOM 871 CG TRP A 64 9.514 2.588 3.350 1.00 0.00 C ATOM 872 CD1 TRP A 64 9.574 1.874 4.482 1.00 0.00 C ATOM 873 CD2 TRP A 64 10.826 2.481 2.759 1.00 0.00 C ATOM 874 NE1 TRP A 64 10.823 1.316 4.663 1.00 0.00 N ATOM 875 CE2 TRP A 64 11.609 1.697 3.582 1.00 0.00 C ATOM 876 CE3 TRP A 64 11.335 3.028 1.568 1.00 0.00 C ATOM 877 CZ2 TRP A 64 12.946 1.390 3.303 1.00 0.00 C ATOM 878 CZ3 TRP A 64 12.673 2.712 1.303 1.00 0.00 C ATOM 879 CH2 TRP A 64 13.474 1.924 2.122 1.00 0.00 C ATOM 0 H TRP A 64 6.585 4.945 1.960 1.00 0.00 H new ATOM 0 HA TRP A 64 8.408 4.938 4.172 1.00 0.00 H new ATOM 0 HB2 TRP A 64 7.401 2.937 3.191 1.00 0.00 H new ATOM 0 HB3 TRP A 64 8.286 3.217 1.705 1.00 0.00 H new ATOM 0 HD1 TRP A 64 8.748 1.751 5.167 1.00 0.00 H new ATOM 0 HE1 TRP A 64 11.116 0.731 5.446 1.00 0.00 H new ATOM 0 HE3 TRP A 64 10.741 3.644 0.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 13.538 0.774 3.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 13.113 3.108 0.400 1.00 0.00 H new ATOM 0 HH2 TRP A 64 14.499 1.725 1.848 1.00 0.00 H new ATOM 890 N LEU A 65 9.448 5.877 1.196 1.00 0.00 N ATOM 891 CA LEU A 65 10.523 6.551 0.489 1.00 0.00 C ATOM 892 C LEU A 65 10.777 7.914 1.136 1.00 0.00 C ATOM 893 O LEU A 65 11.926 8.302 1.344 1.00 0.00 O ATOM 894 CB LEU A 65 10.215 6.628 -1.007 1.00 0.00 C ATOM 895 CG LEU A 65 10.500 5.362 -1.817 1.00 0.00 C ATOM 896 CD1 LEU A 65 9.343 5.046 -2.767 1.00 0.00 C ATOM 897 CD2 LEU A 65 11.835 5.473 -2.557 1.00 0.00 C ATOM 0 H LEU A 65 8.626 5.674 0.628 1.00 0.00 H new ATOM 0 HA LEU A 65 11.449 5.981 0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.162 6.884 -1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.793 7.447 -1.435 1.00 0.00 H new ATOM 0 HG LEU A 65 10.585 4.525 -1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.572 4.141 -3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.430 4.894 -2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.202 5.878 -3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.013 4.560 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.804 6.324 -3.238 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.640 5.615 -1.836 1.00 0.00 H new ATOM 909 N LEU A 66 9.686 8.604 1.436 1.00 0.00 N ATOM 910 CA LEU A 66 9.776 9.915 2.055 1.00 0.00 C ATOM 911 C LEU A 66 10.381 9.774 3.453 1.00 0.00 C ATOM 912 O LEU A 66 10.743 10.769 4.079 1.00 0.00 O ATOM 913 CB LEU A 66 8.412 10.608 2.042 1.00 0.00 C ATOM 914 CG LEU A 66 7.662 10.588 0.709 1.00 0.00 C ATOM 915 CD1 LEU A 66 6.267 11.198 0.855 1.00 0.00 C ATOM 916 CD2 LEU A 66 8.476 11.276 -0.389 1.00 0.00 C ATOM 0 H LEU A 66 8.735 8.279 1.262 1.00 0.00 H new ATOM 0 HA LEU A 66 10.442 10.561 1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.782 10.140 2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.551 11.647 2.342 1.00 0.00 H new ATOM 0 HG LEU A 66 7.529 9.549 0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.756 11.171 -0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.695 10.627 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.355 12.231 1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.920 11.248 -1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.662 12.313 -0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.427 10.758 -0.516 1.00 0.00 H new ATOM 928 N SER A 67 10.473 8.531 3.901 1.00 0.00 N ATOM 929 CA SER A 67 11.028 8.247 5.213 1.00 0.00 C ATOM 930 C SER A 67 12.352 7.493 5.070 1.00 0.00 C ATOM 931 O SER A 67 13.102 7.360 6.035 1.00 0.00 O ATOM 932 CB SER A 67 10.046 7.438 6.063 1.00 0.00 C ATOM 933 OG SER A 67 9.220 8.276 6.867 1.00 0.00 O ATOM 0 H SER A 67 10.172 7.708 3.378 1.00 0.00 H new ATOM 0 HA SER A 67 11.210 9.195 5.719 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.419 6.829 5.412 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.601 6.753 6.704 1.00 0.00 H new ATOM 0 HG SER A 67 8.606 7.722 7.393 1.00 0.00 H new ATOM 939 N HIS A 68 12.598 7.019 3.857 1.00 0.00 N ATOM 940 CA HIS A 68 13.818 6.282 3.575 1.00 0.00 C ATOM 941 C HIS A 68 14.490 6.861 2.328 1.00 0.00 C ATOM 942 O HIS A 68 15.158 6.141 1.588 1.00 0.00 O ATOM 943 CB HIS A 68 13.532 4.784 3.452 1.00 0.00 C ATOM 944 CG HIS A 68 13.292 4.095 4.774 1.00 0.00 C ATOM 945 ND1 HIS A 68 13.979 2.957 5.161 1.00 0.00 N ATOM 946 CD2 HIS A 68 12.437 4.394 5.793 1.00 0.00 C ATOM 947 CE1 HIS A 68 13.547 2.596 6.361 1.00 0.00 C ATOM 948 NE2 HIS A 68 12.591 3.488 6.751 1.00 0.00 N ATOM 0 H HIS A 68 11.973 7.131 3.059 1.00 0.00 H new ATOM 0 HA HIS A 68 14.514 6.393 4.406 1.00 0.00 H new ATOM 0 HB2 HIS A 68 12.658 4.642 2.816 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.372 4.304 2.951 1.00 0.00 H new ATOM 0 HD1 HIS A 68 14.696 2.478 4.616 1.00 0.00 H new ATOM 0 HD2 HIS A 68 11.750 5.227 5.817 1.00 0.00 H new ATOM 0 HE1 HIS A 68 13.891 1.745 6.930 1.00 0.00 H new ATOM 956 N MET A 69 14.291 8.157 2.135 1.00 0.00 N ATOM 957 CA MET A 69 14.869 8.841 0.991 1.00 0.00 C ATOM 958 C MET A 69 16.326 9.224 1.261 1.00 0.00 C ATOM 959 O MET A 69 17.183 9.072 0.391 1.00 0.00 O ATOM 960 CB MET A 69 14.058 10.102 0.686 1.00 0.00 C ATOM 961 CG MET A 69 13.274 9.947 -0.618 1.00 0.00 C ATOM 962 SD MET A 69 14.305 10.392 -2.006 1.00 0.00 S ATOM 963 CE MET A 69 13.422 9.573 -3.323 1.00 0.00 C ATOM 0 H MET A 69 13.737 8.751 2.752 1.00 0.00 H new ATOM 0 HA MET A 69 14.842 8.166 0.136 1.00 0.00 H new ATOM 0 HB2 MET A 69 13.370 10.303 1.507 1.00 0.00 H new ATOM 0 HB3 MET A 69 14.726 10.960 0.613 1.00 0.00 H new ATOM 0 HG2 MET A 69 12.930 8.918 -0.725 1.00 0.00 H new ATOM 0 HG3 MET A 69 12.387 10.579 -0.596 1.00 0.00 H new ATOM 0 HE1 MET A 69 14.100 9.391 -4.157 1.00 0.00 H new ATOM 0 HE2 MET A 69 13.029 8.623 -2.961 1.00 0.00 H new ATOM 0 HE3 MET A 69 12.598 10.204 -3.656 1.00 0.00 H new ATOM 973 N ASP A 70 16.562 9.712 2.470 1.00 0.00 N ATOM 974 CA ASP A 70 17.901 10.118 2.864 1.00 0.00 C ATOM 975 C ASP A 70 18.491 9.066 3.806 1.00 0.00 C ATOM 976 O ASP A 70 18.844 9.374 4.943 1.00 0.00 O ATOM 977 CB ASP A 70 17.874 11.455 3.607 1.00 0.00 C ATOM 978 CG ASP A 70 17.049 12.553 2.933 1.00 0.00 C ATOM 979 OD1 ASP A 70 16.968 12.517 1.686 1.00 0.00 O ATOM 980 OD2 ASP A 70 16.518 13.403 3.680 1.00 0.00 O ATOM 0 H ASP A 70 15.849 9.835 3.189 1.00 0.00 H new ATOM 0 HA ASP A 70 18.503 10.219 1.961 1.00 0.00 H new ATOM 0 HB2 ASP A 70 17.479 11.289 4.609 1.00 0.00 H new ATOM 0 HB3 ASP A 70 18.898 11.810 3.722 1.00 0.00 H new ATOM 985 N ASP A 71 18.578 7.846 3.297 1.00 0.00 N ATOM 986 CA ASP A 71 19.119 6.746 4.078 1.00 0.00 C ATOM 987 C ASP A 71 20.194 6.026 3.261 1.00 0.00 C ATOM 988 O ASP A 71 20.181 6.075 2.032 1.00 0.00 O ATOM 989 CB ASP A 71 18.030 5.730 4.427 1.00 0.00 C ATOM 990 CG ASP A 71 17.501 5.816 5.860 1.00 0.00 C ATOM 991 OD1 ASP A 71 17.843 6.813 6.533 1.00 0.00 O ATOM 992 OD2 ASP A 71 16.767 4.883 6.251 1.00 0.00 O ATOM 0 H ASP A 71 18.283 7.595 2.353 1.00 0.00 H new ATOM 0 HA ASP A 71 19.535 7.158 4.997 1.00 0.00 H new ATOM 0 HB2 ASP A 71 17.195 5.864 3.739 1.00 0.00 H new ATOM 0 HB3 ASP A 71 18.423 4.727 4.260 1.00 0.00 H new ATOM 997 N PRO A 72 21.122 5.356 3.995 1.00 0.00 N ATOM 998 CA PRO A 72 22.201 4.626 3.352 1.00 0.00 C ATOM 999 C PRO A 72 21.691 3.320 2.740 1.00 0.00 C ATOM 1000 O PRO A 72 22.214 2.859 1.727 1.00 0.00 O ATOM 1001 CB PRO A 72 23.234 4.407 4.444 1.00 0.00 C ATOM 1002 CG PRO A 72 22.499 4.609 5.760 1.00 0.00 C ATOM 1003 CD PRO A 72 21.168 5.276 5.452 1.00 0.00 C ATOM 0 HA PRO A 72 22.637 5.171 2.514 1.00 0.00 H new ATOM 0 HB2 PRO A 72 23.659 3.405 4.384 1.00 0.00 H new ATOM 0 HB3 PRO A 72 24.061 5.111 4.346 1.00 0.00 H new ATOM 0 HG2 PRO A 72 22.341 3.653 6.260 1.00 0.00 H new ATOM 0 HG3 PRO A 72 23.089 5.228 6.436 1.00 0.00 H new ATOM 0 HD2 PRO A 72 20.334 4.694 5.843 1.00 0.00 H new ATOM 0 HD3 PRO A 72 21.107 6.265 5.905 1.00 0.00 H new ATOM 1011 N ASP A 73 20.676 2.759 3.382 1.00 0.00 N ATOM 1012 CA ASP A 73 20.090 1.515 2.914 1.00 0.00 C ATOM 1013 C ASP A 73 19.458 1.739 1.539 1.00 0.00 C ATOM 1014 O ASP A 73 19.551 0.882 0.662 1.00 0.00 O ATOM 1015 CB ASP A 73 18.994 1.031 3.865 1.00 0.00 C ATOM 1016 CG ASP A 73 19.306 1.204 5.353 1.00 0.00 C ATOM 1017 OD1 ASP A 73 19.256 2.365 5.812 1.00 0.00 O ATOM 1018 OD2 ASP A 73 19.587 0.171 5.998 1.00 0.00 O ATOM 0 H ASP A 73 20.245 3.144 4.223 1.00 0.00 H new ATOM 0 HA ASP A 73 20.881 0.767 2.865 1.00 0.00 H new ATOM 0 HB2 ASP A 73 18.073 1.568 3.637 1.00 0.00 H new ATOM 0 HB3 ASP A 73 18.804 -0.024 3.669 1.00 0.00 H new ATOM 1023 N ILE A 74 18.829 2.896 1.394 1.00 0.00 N ATOM 1024 CA ILE A 74 18.181 3.244 0.141 1.00 0.00 C ATOM 1025 C ILE A 74 19.123 2.923 -1.021 1.00 0.00 C ATOM 1026 O ILE A 74 18.673 2.653 -2.134 1.00 0.00 O ATOM 1027 CB ILE A 74 17.711 4.700 0.167 1.00 0.00 C ATOM 1028 CG1 ILE A 74 16.415 4.872 -0.628 1.00 0.00 C ATOM 1029 CG2 ILE A 74 18.813 5.641 -0.324 1.00 0.00 C ATOM 1030 CD1 ILE A 74 15.270 4.086 0.014 1.00 0.00 C ATOM 0 H ILE A 74 18.754 3.605 2.124 1.00 0.00 H new ATOM 0 HA ILE A 74 17.281 2.645 -0.002 1.00 0.00 H new ATOM 0 HB ILE A 74 17.494 4.970 1.200 1.00 0.00 H new ATOM 0 HG12 ILE A 74 16.152 5.929 -0.678 1.00 0.00 H new ATOM 0 HG13 ILE A 74 16.565 4.532 -1.653 1.00 0.00 H new ATOM 0 HG21 ILE A 74 18.453 6.669 -0.295 1.00 0.00 H new ATOM 0 HG22 ILE A 74 19.687 5.545 0.320 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.085 5.380 -1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 74 14.361 4.225 -0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 74 15.526 3.027 0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 74 15.107 4.445 1.030 1.00 0.00 H new ATOM 1042 N ASP A 75 20.414 2.961 -0.723 1.00 0.00 N ATOM 1043 CA ASP A 75 21.423 2.677 -1.729 1.00 0.00 C ATOM 1044 C ASP A 75 21.737 1.180 -1.722 1.00 0.00 C ATOM 1045 O ASP A 75 21.967 0.585 -2.774 1.00 0.00 O ATOM 1046 CB ASP A 75 22.720 3.434 -1.437 1.00 0.00 C ATOM 1047 CG ASP A 75 22.576 4.955 -1.349 1.00 0.00 C ATOM 1048 OD1 ASP A 75 21.455 5.435 -1.621 1.00 0.00 O ATOM 1049 OD2 ASP A 75 23.591 5.602 -1.011 1.00 0.00 O ATOM 0 H ASP A 75 20.784 3.184 0.201 1.00 0.00 H new ATOM 0 HA ASP A 75 21.032 2.991 -2.697 1.00 0.00 H new ATOM 0 HB2 ASP A 75 23.132 3.068 -0.497 1.00 0.00 H new ATOM 0 HB3 ASP A 75 23.444 3.197 -2.216 1.00 0.00 H new ATOM 1054 N ALA A 76 21.737 0.614 -0.524 1.00 0.00 N ATOM 1055 CA ALA A 76 22.019 -0.803 -0.366 1.00 0.00 C ATOM 1056 C ALA A 76 21.142 -1.604 -1.331 1.00 0.00 C ATOM 1057 O ALA A 76 20.012 -1.213 -1.619 1.00 0.00 O ATOM 1058 CB ALA A 76 21.800 -1.208 1.093 1.00 0.00 C ATOM 0 H ALA A 76 21.546 1.111 0.346 1.00 0.00 H new ATOM 0 HA ALA A 76 23.059 -1.017 -0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 76 22.012 -2.271 1.211 1.00 0.00 H new ATOM 0 HB2 ALA A 76 22.467 -0.632 1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 76 20.766 -1.010 1.374 1.00 0.00 H new ATOM 1064 N PRO A 77 21.711 -2.740 -1.816 1.00 0.00 N ATOM 1065 CA PRO A 77 20.994 -3.599 -2.743 1.00 0.00 C ATOM 1066 C PRO A 77 19.916 -4.407 -2.018 1.00 0.00 C ATOM 1067 O PRO A 77 20.060 -4.724 -0.838 1.00 0.00 O ATOM 1068 CB PRO A 77 22.064 -4.472 -3.379 1.00 0.00 C ATOM 1069 CG PRO A 77 23.269 -4.394 -2.455 1.00 0.00 C ATOM 1070 CD PRO A 77 23.047 -3.234 -1.497 1.00 0.00 C ATOM 0 HA PRO A 77 20.453 -3.038 -3.505 1.00 0.00 H new ATOM 0 HB2 PRO A 77 21.718 -5.500 -3.484 1.00 0.00 H new ATOM 0 HB3 PRO A 77 22.315 -4.117 -4.379 1.00 0.00 H new ATOM 0 HG2 PRO A 77 23.389 -5.327 -1.904 1.00 0.00 H new ATOM 0 HG3 PRO A 77 24.182 -4.244 -3.031 1.00 0.00 H new ATOM 0 HD2 PRO A 77 23.111 -3.560 -0.459 1.00 0.00 H new ATOM 0 HD3 PRO A 77 23.800 -2.457 -1.634 1.00 0.00 H new ATOM 1078 N ILE A 78 18.859 -4.718 -2.755 1.00 0.00 N ATOM 1079 CA ILE A 78 17.757 -5.484 -2.197 1.00 0.00 C ATOM 1080 C ILE A 78 18.228 -6.911 -1.908 1.00 0.00 C ATOM 1081 O ILE A 78 18.058 -7.411 -0.798 1.00 0.00 O ATOM 1082 CB ILE A 78 16.536 -5.413 -3.117 1.00 0.00 C ATOM 1083 CG1 ILE A 78 15.779 -4.098 -2.922 1.00 0.00 C ATOM 1084 CG2 ILE A 78 15.631 -6.631 -2.921 1.00 0.00 C ATOM 1085 CD1 ILE A 78 14.749 -3.889 -4.034 1.00 0.00 C ATOM 0 H ILE A 78 18.743 -4.454 -3.733 1.00 0.00 H new ATOM 0 HA ILE A 78 17.437 -5.056 -1.247 1.00 0.00 H new ATOM 0 HB ILE A 78 16.884 -5.434 -4.150 1.00 0.00 H new ATOM 0 HG12 ILE A 78 15.278 -4.102 -1.954 1.00 0.00 H new ATOM 0 HG13 ILE A 78 16.484 -3.266 -2.913 1.00 0.00 H new ATOM 0 HG21 ILE A 78 14.771 -6.556 -3.586 1.00 0.00 H new ATOM 0 HG22 ILE A 78 16.189 -7.539 -3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 78 15.288 -6.667 -1.887 1.00 0.00 H new ATOM 0 HD11 ILE A 78 14.225 -2.947 -3.872 1.00 0.00 H new ATOM 0 HD12 ILE A 78 15.256 -3.861 -4.999 1.00 0.00 H new ATOM 0 HD13 ILE A 78 14.032 -4.710 -4.025 1.00 0.00 H new ATOM 1097 N SER A 79 18.809 -7.526 -2.928 1.00 0.00 N ATOM 1098 CA SER A 79 19.305 -8.885 -2.797 1.00 0.00 C ATOM 1099 C SER A 79 20.515 -9.091 -3.711 1.00 0.00 C ATOM 1100 O SER A 79 20.385 -9.634 -4.806 1.00 0.00 O ATOM 1101 CB SER A 79 18.212 -9.904 -3.126 1.00 0.00 C ATOM 1102 OG SER A 79 17.284 -10.056 -2.056 1.00 0.00 O ATOM 0 H SER A 79 18.947 -7.108 -3.848 1.00 0.00 H new ATOM 0 HA SER A 79 19.609 -9.040 -1.762 1.00 0.00 H new ATOM 0 HB2 SER A 79 17.681 -9.589 -4.024 1.00 0.00 H new ATOM 0 HB3 SER A 79 18.670 -10.868 -3.348 1.00 0.00 H new ATOM 0 HG SER A 79 17.438 -9.356 -1.388 1.00 0.00 H new ATOM 1108 N GLY A 80 21.665 -8.645 -3.226 1.00 0.00 N ATOM 1109 CA GLY A 80 22.897 -8.773 -3.985 1.00 0.00 C ATOM 1110 C GLY A 80 24.119 -8.609 -3.079 1.00 0.00 C ATOM 1111 O GLY A 80 23.987 -8.236 -1.914 1.00 0.00 O ATOM 0 H GLY A 80 21.769 -8.195 -2.317 1.00 0.00 H new ATOM 0 HA2 GLY A 80 22.929 -9.748 -4.472 1.00 0.00 H new ATOM 0 HA3 GLY A 80 22.922 -8.022 -4.774 1.00 0.00 H new ATOM 1115 N PRO A 81 25.311 -8.904 -3.663 1.00 0.00 N ATOM 1116 CA PRO A 81 26.556 -8.794 -2.921 1.00 0.00 C ATOM 1117 C PRO A 81 26.963 -7.329 -2.748 1.00 0.00 C ATOM 1118 O PRO A 81 26.336 -6.436 -3.314 1.00 0.00 O ATOM 1119 CB PRO A 81 27.564 -9.601 -3.722 1.00 0.00 C ATOM 1120 CG PRO A 81 26.971 -9.745 -5.114 1.00 0.00 C ATOM 1121 CD PRO A 81 25.506 -9.349 -5.040 1.00 0.00 C ATOM 0 HA PRO A 81 26.476 -9.179 -1.905 1.00 0.00 H new ATOM 0 HB2 PRO A 81 28.529 -9.095 -3.759 1.00 0.00 H new ATOM 0 HB3 PRO A 81 27.733 -10.577 -3.267 1.00 0.00 H new ATOM 0 HG2 PRO A 81 27.503 -9.110 -5.823 1.00 0.00 H new ATOM 0 HG3 PRO A 81 27.072 -10.771 -5.467 1.00 0.00 H new ATOM 0 HD2 PRO A 81 25.274 -8.555 -5.749 1.00 0.00 H new ATOM 0 HD3 PRO A 81 24.856 -10.190 -5.280 1.00 0.00 H new ATOM 1129 N SER A 82 28.012 -7.129 -1.964 1.00 0.00 N ATOM 1130 CA SER A 82 28.511 -5.788 -1.710 1.00 0.00 C ATOM 1131 C SER A 82 30.033 -5.816 -1.554 1.00 0.00 C ATOM 1132 O SER A 82 30.583 -6.751 -0.974 1.00 0.00 O ATOM 1133 CB SER A 82 27.861 -5.186 -0.463 1.00 0.00 C ATOM 1134 OG SER A 82 28.279 -5.846 0.729 1.00 0.00 O ATOM 0 H SER A 82 28.530 -7.873 -1.496 1.00 0.00 H new ATOM 0 HA SER A 82 28.251 -5.160 -2.562 1.00 0.00 H new ATOM 0 HB2 SER A 82 28.112 -4.127 -0.398 1.00 0.00 H new ATOM 0 HB3 SER A 82 26.777 -5.251 -0.552 1.00 0.00 H new ATOM 0 HG SER A 82 27.843 -5.431 1.503 1.00 0.00 H new ATOM 1140 N SER A 83 30.669 -4.781 -2.082 1.00 0.00 N ATOM 1141 CA SER A 83 32.116 -4.676 -2.009 1.00 0.00 C ATOM 1142 C SER A 83 32.587 -4.919 -0.574 1.00 0.00 C ATOM 1143 O SER A 83 32.385 -4.077 0.300 1.00 0.00 O ATOM 1144 CB SER A 83 32.594 -3.308 -2.500 1.00 0.00 C ATOM 1145 OG SER A 83 33.192 -3.383 -3.792 1.00 0.00 O ATOM 0 H SER A 83 30.209 -4.008 -2.562 1.00 0.00 H new ATOM 0 HA SER A 83 32.547 -5.437 -2.660 1.00 0.00 H new ATOM 0 HB2 SER A 83 31.750 -2.619 -2.531 1.00 0.00 H new ATOM 0 HB3 SER A 83 33.314 -2.899 -1.791 1.00 0.00 H new ATOM 0 HG SER A 83 33.482 -2.489 -4.070 1.00 0.00 H new ATOM 1151 N GLY A 84 33.205 -6.074 -0.375 1.00 0.00 N ATOM 1152 CA GLY A 84 33.706 -6.438 0.939 1.00 0.00 C ATOM 1153 C GLY A 84 35.191 -6.803 0.878 1.00 0.00 C ATOM 1154 O GLY A 84 35.952 -6.472 1.785 1.00 0.00 O ATOM 0 H GLY A 84 33.370 -6.770 -1.102 1.00 0.00 H new ATOM 0 HA2 GLY A 84 33.560 -5.608 1.631 1.00 0.00 H new ATOM 0 HA3 GLY A 84 33.136 -7.282 1.329 1.00 0.00 H new TER 1158 GLY A 84