USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 598 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 41 THR OG1 : rot 180:sc= -1.25 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 157:sc= -1.22 (180deg=-2.15) USER MOD Set 2.1: A 2 LYS NZ :NH3+ 176:sc= 0 (180deg=0) USER MOD Set 2.2: A 6 LYS NZ :NH3+ 150:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.171 (180deg=-0.811) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -1 HIS : no HD1:sc= -0.0152 X(o=-0.015,f=-0.015) USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc=-0.00143 X(o=-0.0014,f=0) USER MOD Single : A 25 ASN :FLIP amide:sc= -11.7! C(o=-15!,f=-12!) USER MOD Single : A 26 SER OG : rot -17:sc= 0.482 USER MOD Single : A 31 MET CE :methyl -149:sc= -5.1! (180deg=-7.05!) USER MOD Single : A 36 ASN :FLIP amide:sc= -2.29 F(o=-6.2!,f=-2.3) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 160:sc= -1.14 USER MOD Single : A 43 LYS NZ :NH3+ -166:sc= -0.0397 (180deg=-0.311) USER MOD Single : A 44 SER OG : rot -110:sc= -0.893 USER MOD Single : A 52 SER OG : rot 171:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0.493 K(o=0.49,f=-0.75) USER MOD Single : A 59 THR OG1 : rot 26:sc= -0.301 USER MOD Single : A 66 LYS NZ :NH3+ -167:sc= -0.0265 (180deg=-0.277) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 95:sc= 1.22 USER MOD Single : A 77 ASN :FLIP amide:sc= -2.2! C(o=-4!,f=-2.2!) USER MOD Single : A 78 LYS NZ :NH3+ -120:sc= -1.96! (180deg=-5.17!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -20.610 1.416 -10.427 1.00 0.00 N ATOM 2 CA GLY A -3 -20.270 2.051 -9.124 1.00 0.00 C ATOM 3 C GLY A -3 -18.834 2.532 -9.070 1.00 0.00 C ATOM 4 O GLY A -3 -18.136 2.313 -8.080 1.00 0.00 O ATOM 0 H1 GLY A -3 -21.602 1.104 -10.413 1.00 0.00 H new ATOM 0 H2 GLY A -3 -20.474 2.104 -11.195 1.00 0.00 H new ATOM 0 H3 GLY A -3 -19.992 0.595 -10.585 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -20.939 2.894 -8.949 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -20.441 1.336 -8.319 1.00 0.00 H new ATOM 10 N SER A -2 -18.391 3.189 -10.137 1.00 0.00 N ATOM 11 CA SER A -2 -17.027 3.701 -10.207 1.00 0.00 C ATOM 12 C SER A -2 -16.763 4.700 -9.086 1.00 0.00 C ATOM 13 O SER A -2 -15.718 4.660 -8.438 1.00 0.00 O ATOM 14 CB SER A -2 -16.778 4.361 -11.565 1.00 0.00 C ATOM 15 OG SER A -2 -16.957 3.436 -12.623 1.00 0.00 O ATOM 0 H SER A -2 -18.956 3.379 -10.965 1.00 0.00 H new ATOM 0 HA SER A -2 -16.343 2.861 -10.088 1.00 0.00 H new ATOM 0 HB2 SER A -2 -17.459 5.202 -11.694 1.00 0.00 H new ATOM 0 HB3 SER A -2 -15.765 4.763 -11.597 1.00 0.00 H new ATOM 0 HG SER A -2 -16.794 3.883 -13.480 1.00 0.00 H new ATOM 21 N HIS A -1 -17.718 5.599 -8.865 1.00 0.00 N ATOM 22 CA HIS A -1 -17.591 6.611 -7.824 1.00 0.00 C ATOM 23 C HIS A -1 -17.531 5.952 -6.438 1.00 0.00 C ATOM 24 O HIS A -1 -16.886 4.918 -6.271 1.00 0.00 O ATOM 25 CB HIS A -1 -18.758 7.601 -7.916 1.00 0.00 C ATOM 26 CG HIS A -1 -18.879 8.255 -9.257 1.00 0.00 C ATOM 27 ND1 HIS A -1 -17.877 9.025 -9.813 1.00 0.00 N ATOM 28 CD2 HIS A -1 -19.890 8.253 -10.158 1.00 0.00 C ATOM 29 CE1 HIS A -1 -18.269 9.468 -10.994 1.00 0.00 C ATOM 30 NE2 HIS A -1 -19.485 9.013 -11.228 1.00 0.00 N ATOM 0 H HIS A -1 -18.589 5.646 -9.394 1.00 0.00 H new ATOM 0 HA HIS A -1 -16.661 7.160 -7.971 1.00 0.00 H new ATOM 0 HB2 HIS A -1 -19.687 7.078 -7.690 1.00 0.00 H new ATOM 0 HB3 HIS A -1 -18.632 8.371 -7.155 1.00 0.00 H new ATOM 0 HD2 HIS A -1 -20.839 7.748 -10.054 1.00 0.00 H new ATOM 0 HE1 HIS A -1 -17.692 10.096 -11.656 1.00 0.00 H new ATOM 0 HE2 HIS A -1 -20.035 9.196 -12.067 1.00 0.00 H new ATOM 39 N MET A 1 -18.196 6.547 -5.447 1.00 0.00 N ATOM 40 CA MET A 1 -18.197 6.000 -4.095 1.00 0.00 C ATOM 41 C MET A 1 -16.763 5.948 -3.545 1.00 0.00 C ATOM 42 O MET A 1 -16.116 6.987 -3.417 1.00 0.00 O ATOM 43 CB MET A 1 -18.860 4.617 -4.085 1.00 0.00 C ATOM 44 CG MET A 1 -19.143 4.084 -2.688 1.00 0.00 C ATOM 45 SD MET A 1 -19.887 2.441 -2.709 1.00 0.00 S ATOM 46 CE MET A 1 -21.389 2.762 -3.630 1.00 0.00 C ATOM 0 H MET A 1 -18.738 7.404 -5.557 1.00 0.00 H new ATOM 0 HA MET A 1 -18.779 6.650 -3.442 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.796 4.669 -4.641 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.216 3.911 -4.610 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.213 4.050 -2.121 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.808 4.773 -2.168 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.113 1.971 -3.433 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.807 3.721 -3.322 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.163 2.790 -4.696 1.00 0.00 H new ATOM 56 N LYS A 2 -16.259 4.752 -3.224 1.00 0.00 N ATOM 57 CA LYS A 2 -14.905 4.621 -2.700 1.00 0.00 C ATOM 58 C LYS A 2 -13.919 4.311 -3.824 1.00 0.00 C ATOM 59 O LYS A 2 -12.907 3.642 -3.613 1.00 0.00 O ATOM 60 CB LYS A 2 -14.855 3.522 -1.635 1.00 0.00 C ATOM 61 CG LYS A 2 -13.549 3.477 -0.857 1.00 0.00 C ATOM 62 CD LYS A 2 -13.572 2.403 0.219 1.00 0.00 C ATOM 63 CE LYS A 2 -13.689 1.011 -0.382 1.00 0.00 C ATOM 64 NZ LYS A 2 -13.664 -0.049 0.665 1.00 0.00 N ATOM 0 H LYS A 2 -16.766 3.872 -3.318 1.00 0.00 H new ATOM 0 HA LYS A 2 -14.619 5.569 -2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -15.678 3.669 -0.936 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -15.014 2.557 -2.115 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.723 3.287 -1.543 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.365 4.448 -0.398 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.663 2.467 0.817 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.410 2.580 0.893 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.616 0.938 -0.951 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.871 0.848 -1.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.814 -0.978 0.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -12.742 -0.040 1.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.418 0.130 1.358 1.00 0.00 H new ATOM 78 N MET A 3 -14.219 4.808 -5.021 1.00 0.00 N ATOM 79 CA MET A 3 -13.363 4.592 -6.182 1.00 0.00 C ATOM 80 C MET A 3 -13.211 3.105 -6.498 1.00 0.00 C ATOM 81 O MET A 3 -12.839 2.309 -5.636 1.00 0.00 O ATOM 82 CB MET A 3 -11.986 5.216 -5.948 1.00 0.00 C ATOM 83 CG MET A 3 -12.030 6.718 -5.718 1.00 0.00 C ATOM 84 SD MET A 3 -12.738 7.615 -7.113 1.00 0.00 S ATOM 85 CE MET A 3 -12.637 9.301 -6.517 1.00 0.00 C ATOM 0 H MET A 3 -15.052 5.365 -5.212 1.00 0.00 H new ATOM 0 HA MET A 3 -13.838 5.073 -7.037 1.00 0.00 H new ATOM 0 HB2 MET A 3 -11.522 4.738 -5.085 1.00 0.00 H new ATOM 0 HB3 MET A 3 -11.351 5.007 -6.809 1.00 0.00 H new ATOM 0 HG2 MET A 3 -12.615 6.927 -4.822 1.00 0.00 H new ATOM 0 HG3 MET A 3 -11.020 7.083 -5.532 1.00 0.00 H new ATOM 0 HE1 MET A 3 -13.038 9.978 -7.271 1.00 0.00 H new ATOM 0 HE2 MET A 3 -13.215 9.397 -5.598 1.00 0.00 H new ATOM 0 HE3 MET A 3 -11.596 9.555 -6.319 1.00 0.00 H new ATOM 95 N GLY A 4 -13.489 2.743 -7.746 1.00 0.00 N ATOM 96 CA GLY A 4 -13.366 1.358 -8.165 1.00 0.00 C ATOM 97 C GLY A 4 -11.922 0.898 -8.209 1.00 0.00 C ATOM 98 O GLY A 4 -11.635 -0.296 -8.117 1.00 0.00 O ATOM 0 H GLY A 4 -13.798 3.385 -8.476 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.927 0.722 -7.480 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.814 1.238 -9.151 1.00 0.00 H new ATOM 102 N VAL A 5 -11.011 1.856 -8.358 1.00 0.00 N ATOM 103 CA VAL A 5 -9.581 1.571 -8.425 1.00 0.00 C ATOM 104 C VAL A 5 -9.071 0.885 -7.164 1.00 0.00 C ATOM 105 O VAL A 5 -7.914 0.522 -7.104 1.00 0.00 O ATOM 106 CB VAL A 5 -8.745 2.845 -8.670 1.00 0.00 C ATOM 107 CG1 VAL A 5 -8.501 3.594 -7.371 1.00 0.00 C ATOM 108 CG2 VAL A 5 -7.420 2.545 -9.349 1.00 0.00 C ATOM 0 H VAL A 5 -11.242 2.847 -8.435 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.459 0.895 -9.272 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.328 3.474 -9.343 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.910 4.487 -7.572 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.456 3.882 -6.932 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.962 2.951 -6.676 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.870 3.474 -9.499 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.834 1.873 -8.722 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.604 2.073 -10.314 1.00 0.00 H new ATOM 118 N LYS A 6 -9.902 0.726 -6.137 1.00 0.00 N ATOM 119 CA LYS A 6 -9.428 0.102 -4.905 1.00 0.00 C ATOM 120 C LYS A 6 -8.597 -1.126 -5.251 1.00 0.00 C ATOM 121 O LYS A 6 -7.491 -1.304 -4.744 1.00 0.00 O ATOM 122 CB LYS A 6 -10.613 -0.300 -4.020 1.00 0.00 C ATOM 123 CG LYS A 6 -10.224 -1.145 -2.815 1.00 0.00 C ATOM 124 CD LYS A 6 -11.451 -1.635 -2.063 1.00 0.00 C ATOM 125 CE LYS A 6 -11.075 -2.590 -0.941 1.00 0.00 C ATOM 126 NZ LYS A 6 -12.272 -3.066 -0.192 1.00 0.00 N ATOM 0 H LYS A 6 -10.881 1.012 -6.130 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.814 0.816 -4.356 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.116 0.602 -3.672 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.333 -0.854 -4.623 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.631 -1.999 -3.143 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.595 -0.559 -2.145 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.990 -0.782 -1.650 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.128 -2.135 -2.756 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.542 -3.446 -1.356 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.391 -2.092 -0.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.093 -4.021 0.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.466 -2.419 0.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.093 -3.090 -0.829 1.00 0.00 H new ATOM 140 N GLU A 7 -9.113 -1.937 -6.157 1.00 0.00 N ATOM 141 CA GLU A 7 -8.394 -3.114 -6.617 1.00 0.00 C ATOM 142 C GLU A 7 -7.297 -2.727 -7.614 1.00 0.00 C ATOM 143 O GLU A 7 -6.249 -3.366 -7.671 1.00 0.00 O ATOM 144 CB GLU A 7 -9.353 -4.125 -7.251 1.00 0.00 C ATOM 145 CG GLU A 7 -10.377 -4.696 -6.279 1.00 0.00 C ATOM 146 CD GLU A 7 -11.303 -3.638 -5.714 1.00 0.00 C ATOM 147 OE1 GLU A 7 -12.010 -2.981 -6.507 1.00 0.00 O ATOM 148 OE2 GLU A 7 -11.322 -3.464 -4.476 1.00 0.00 O ATOM 0 H GLU A 7 -10.027 -1.803 -6.589 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.925 -3.579 -5.750 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.878 -3.645 -8.077 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.773 -4.944 -7.676 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.969 -5.457 -6.788 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.857 -5.192 -5.460 1.00 0.00 H new ATOM 155 N ASP A 8 -7.561 -1.692 -8.419 1.00 0.00 N ATOM 156 CA ASP A 8 -6.604 -1.239 -9.433 1.00 0.00 C ATOM 157 C ASP A 8 -5.297 -0.715 -8.818 1.00 0.00 C ATOM 158 O ASP A 8 -4.210 -1.169 -9.180 1.00 0.00 O ATOM 159 CB ASP A 8 -7.247 -0.192 -10.328 1.00 0.00 C ATOM 160 CG ASP A 8 -8.092 -0.811 -11.424 1.00 0.00 C ATOM 161 OD1 ASP A 8 -9.059 -1.530 -11.094 1.00 0.00 O ATOM 162 OD2 ASP A 8 -7.789 -0.577 -12.612 1.00 0.00 O ATOM 0 H ASP A 8 -8.427 -1.154 -8.388 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.334 -2.105 -10.037 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.868 0.468 -9.723 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.469 0.426 -10.777 1.00 0.00 H new ATOM 167 N ILE A 9 -5.407 0.206 -7.869 1.00 0.00 N ATOM 168 CA ILE A 9 -4.244 0.751 -7.186 1.00 0.00 C ATOM 169 C ILE A 9 -3.598 -0.343 -6.355 1.00 0.00 C ATOM 170 O ILE A 9 -2.389 -0.547 -6.413 1.00 0.00 O ATOM 171 CB ILE A 9 -4.623 1.951 -6.282 1.00 0.00 C ATOM 172 CG1 ILE A 9 -4.870 3.196 -7.133 1.00 0.00 C ATOM 173 CG2 ILE A 9 -3.541 2.225 -5.244 1.00 0.00 C ATOM 174 CD1 ILE A 9 -5.299 4.404 -6.330 1.00 0.00 C ATOM 0 H ILE A 9 -6.297 0.592 -7.554 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.542 1.115 -7.936 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.540 1.697 -5.751 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.959 3.439 -7.680 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.637 2.972 -7.875 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.836 3.072 -4.625 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.409 1.345 -4.615 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.602 2.454 -5.749 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.456 5.249 -7.000 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.227 4.180 -5.804 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.523 4.654 -5.606 1.00 0.00 H new ATOM 186 N ARG A 10 -4.425 -1.073 -5.608 1.00 0.00 N ATOM 187 CA ARG A 10 -3.938 -2.178 -4.795 1.00 0.00 C ATOM 188 C ARG A 10 -3.172 -3.145 -5.681 1.00 0.00 C ATOM 189 O ARG A 10 -2.224 -3.796 -5.241 1.00 0.00 O ATOM 190 CB ARG A 10 -5.106 -2.909 -4.125 1.00 0.00 C ATOM 191 CG ARG A 10 -4.694 -3.763 -2.937 1.00 0.00 C ATOM 192 CD ARG A 10 -5.870 -4.555 -2.388 1.00 0.00 C ATOM 193 NE ARG A 10 -6.434 -5.461 -3.385 1.00 0.00 N ATOM 194 CZ ARG A 10 -7.469 -6.266 -3.155 1.00 0.00 C ATOM 195 NH1 ARG A 10 -8.057 -6.280 -1.965 1.00 0.00 N ATOM 196 NH2 ARG A 10 -7.919 -7.059 -4.118 1.00 0.00 N ATOM 0 H ARG A 10 -5.431 -0.917 -5.551 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.283 -1.786 -4.017 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.841 -2.175 -3.795 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.597 -3.543 -4.863 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.901 -4.448 -3.237 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.285 -3.125 -2.153 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.547 -5.128 -1.519 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.643 -3.866 -2.046 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.010 -5.478 -4.312 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.716 -5.672 -1.221 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.850 -6.899 -1.795 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.472 -7.052 -5.035 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.712 -7.676 -3.942 1.00 0.00 H new ATOM 210 N GLY A 11 -3.579 -3.208 -6.945 1.00 0.00 N ATOM 211 CA GLY A 11 -2.902 -4.073 -7.888 1.00 0.00 C ATOM 212 C GLY A 11 -1.494 -3.589 -8.111 1.00 0.00 C ATOM 213 O GLY A 11 -0.542 -4.371 -8.133 1.00 0.00 O ATOM 0 H GLY A 11 -4.361 -2.678 -7.329 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.888 -5.096 -7.511 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.444 -4.089 -8.834 1.00 0.00 H new ATOM 217 N GLN A 12 -1.372 -2.276 -8.247 1.00 0.00 N ATOM 218 CA GLN A 12 -0.085 -1.637 -8.437 1.00 0.00 C ATOM 219 C GLN A 12 0.745 -1.742 -7.161 1.00 0.00 C ATOM 220 O GLN A 12 1.972 -1.789 -7.211 1.00 0.00 O ATOM 221 CB GLN A 12 -0.278 -0.168 -8.811 1.00 0.00 C ATOM 222 CG GLN A 12 -1.086 0.038 -10.080 1.00 0.00 C ATOM 223 CD GLN A 12 -1.237 1.502 -10.444 1.00 0.00 C ATOM 224 OE1 GLN A 12 -0.249 2.205 -10.658 1.00 0.00 O ATOM 225 NE2 GLN A 12 -2.478 1.970 -10.518 1.00 0.00 N ATOM 0 H GLN A 12 -2.161 -1.629 -8.228 1.00 0.00 H new ATOM 0 HA GLN A 12 0.442 -2.143 -9.246 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.775 0.345 -7.987 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.700 0.298 -8.934 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.604 -0.489 -10.903 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.074 -0.405 -9.953 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.268 1.352 -10.333 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.641 2.947 -10.760 1.00 0.00 H new ATOM 234 N ILE A 13 0.058 -1.776 -6.017 1.00 0.00 N ATOM 235 CA ILE A 13 0.717 -1.873 -4.721 1.00 0.00 C ATOM 236 C ILE A 13 1.314 -3.260 -4.520 1.00 0.00 C ATOM 237 O ILE A 13 2.452 -3.394 -4.074 1.00 0.00 O ATOM 238 CB ILE A 13 -0.257 -1.557 -3.565 1.00 0.00 C ATOM 239 CG1 ILE A 13 -0.778 -0.121 -3.682 1.00 0.00 C ATOM 240 CG2 ILE A 13 0.421 -1.767 -2.216 1.00 0.00 C ATOM 241 CD1 ILE A 13 -1.762 0.257 -2.597 1.00 0.00 C ATOM 0 H ILE A 13 -0.960 -1.737 -5.967 1.00 0.00 H new ATOM 0 HA ILE A 13 1.517 -1.133 -4.711 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.103 -2.241 -3.634 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.067 0.567 -3.650 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.255 0.005 -4.654 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.283 -1.539 -1.416 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.745 -2.804 -2.129 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.286 -1.109 -2.137 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.088 1.287 -2.744 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.626 -0.407 -2.642 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.283 0.164 -1.623 1.00 0.00 H new ATOM 253 N ILE A 14 0.545 -4.290 -4.860 1.00 0.00 N ATOM 254 CA ILE A 14 1.014 -5.663 -4.725 1.00 0.00 C ATOM 255 C ILE A 14 2.296 -5.865 -5.529 1.00 0.00 C ATOM 256 O ILE A 14 3.312 -6.307 -4.992 1.00 0.00 O ATOM 257 CB ILE A 14 -0.067 -6.668 -5.180 1.00 0.00 C ATOM 258 CG1 ILE A 14 -1.150 -6.796 -4.107 1.00 0.00 C ATOM 259 CG2 ILE A 14 0.539 -8.033 -5.488 1.00 0.00 C ATOM 260 CD1 ILE A 14 -0.618 -7.251 -2.767 1.00 0.00 C ATOM 0 H ILE A 14 -0.401 -4.200 -5.229 1.00 0.00 H new ATOM 0 HA ILE A 14 1.224 -5.847 -3.671 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.517 -6.289 -6.098 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.645 -5.833 -3.985 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.907 -7.503 -4.448 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.248 -8.717 -5.805 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.276 -7.933 -6.285 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.023 -8.426 -4.594 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.439 -7.320 -2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.148 -8.229 -2.875 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.118 -6.533 -2.405 1.00 0.00 H new ATOM 272 N GLY A 15 2.251 -5.511 -6.809 1.00 0.00 N ATOM 273 CA GLY A 15 3.429 -5.635 -7.645 1.00 0.00 C ATOM 274 C GLY A 15 4.520 -4.696 -7.179 1.00 0.00 C ATOM 275 O GLY A 15 5.705 -5.023 -7.221 1.00 0.00 O ATOM 0 H GLY A 15 1.425 -5.143 -7.280 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.792 -6.662 -7.620 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.170 -5.414 -8.681 1.00 0.00 H new ATOM 279 N ALA A 16 4.097 -3.522 -6.719 1.00 0.00 N ATOM 280 CA ALA A 16 5.010 -2.505 -6.218 1.00 0.00 C ATOM 281 C ALA A 16 5.800 -3.020 -5.019 1.00 0.00 C ATOM 282 O ALA A 16 6.947 -2.635 -4.803 1.00 0.00 O ATOM 283 CB ALA A 16 4.223 -1.258 -5.831 1.00 0.00 C ATOM 0 H ALA A 16 3.114 -3.251 -6.684 1.00 0.00 H new ATOM 0 HA ALA A 16 5.720 -2.257 -7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.908 -0.497 -5.456 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.697 -0.874 -6.705 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.500 -1.510 -5.055 1.00 0.00 H new ATOM 289 N LEU A 17 5.170 -3.896 -4.248 1.00 0.00 N ATOM 290 CA LEU A 17 5.784 -4.477 -3.066 1.00 0.00 C ATOM 291 C LEU A 17 6.692 -5.632 -3.450 1.00 0.00 C ATOM 292 O LEU A 17 7.680 -5.917 -2.773 1.00 0.00 O ATOM 293 CB LEU A 17 4.694 -4.953 -2.105 1.00 0.00 C ATOM 294 CG LEU A 17 3.945 -3.836 -1.368 1.00 0.00 C ATOM 295 CD1 LEU A 17 2.643 -4.355 -0.777 1.00 0.00 C ATOM 296 CD2 LEU A 17 4.825 -3.243 -0.274 1.00 0.00 C ATOM 0 H LEU A 17 4.220 -4.222 -4.426 1.00 0.00 H new ATOM 0 HA LEU A 17 6.391 -3.718 -2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.971 -5.546 -2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.146 -5.615 -1.366 1.00 0.00 H new ATOM 0 HG LEU A 17 3.704 -3.054 -2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.130 -3.545 -0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.007 -4.735 -1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.858 -5.157 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.281 -2.451 0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.094 -4.022 0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.731 -2.831 -0.719 1.00 0.00 H new ATOM 308 N ALA A 18 6.346 -6.293 -4.547 1.00 0.00 N ATOM 309 CA ALA A 18 7.130 -7.422 -5.032 1.00 0.00 C ATOM 310 C ALA A 18 8.573 -7.004 -5.301 1.00 0.00 C ATOM 311 O ALA A 18 8.824 -6.023 -6.001 1.00 0.00 O ATOM 312 CB ALA A 18 6.502 -8.001 -6.290 1.00 0.00 C ATOM 0 H ALA A 18 5.530 -6.068 -5.116 1.00 0.00 H new ATOM 0 HA ALA A 18 7.136 -8.191 -4.259 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.099 -8.843 -6.640 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.490 -8.340 -6.068 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.466 -7.235 -7.065 1.00 0.00 H new ATOM 318 N GLY A 19 9.518 -7.752 -4.738 1.00 0.00 N ATOM 319 CA GLY A 19 10.922 -7.436 -4.930 1.00 0.00 C ATOM 320 C GLY A 19 11.649 -7.199 -3.620 1.00 0.00 C ATOM 321 O GLY A 19 12.817 -7.561 -3.476 1.00 0.00 O ATOM 0 H GLY A 19 9.337 -8.569 -4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.405 -8.253 -5.467 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.009 -6.548 -5.556 1.00 0.00 H new ATOM 325 N ALA A 20 10.958 -6.587 -2.662 1.00 0.00 N ATOM 326 CA ALA A 20 11.542 -6.295 -1.354 1.00 0.00 C ATOM 327 C ALA A 20 12.150 -7.539 -0.725 1.00 0.00 C ATOM 328 O ALA A 20 12.161 -8.613 -1.326 1.00 0.00 O ATOM 329 CB ALA A 20 10.480 -5.726 -0.428 1.00 0.00 C ATOM 0 H ALA A 20 9.990 -6.283 -2.767 1.00 0.00 H new ATOM 0 HA ALA A 20 12.337 -5.563 -1.500 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.923 -5.511 0.545 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.079 -4.807 -0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.675 -6.451 -0.308 1.00 0.00 H new ATOM 335 N ASP A 21 12.619 -7.387 0.510 1.00 0.00 N ATOM 336 CA ASP A 21 13.189 -8.497 1.263 1.00 0.00 C ATOM 337 C ASP A 21 12.098 -9.554 1.445 1.00 0.00 C ATOM 338 O ASP A 21 11.453 -9.926 0.465 1.00 0.00 O ATOM 339 CB ASP A 21 13.716 -7.973 2.599 1.00 0.00 C ATOM 340 CG ASP A 21 15.080 -7.325 2.458 1.00 0.00 C ATOM 341 OD1 ASP A 21 15.215 -6.401 1.628 1.00 0.00 O ATOM 342 OD2 ASP A 21 16.011 -7.741 3.176 1.00 0.00 O ATOM 0 H ASP A 21 12.615 -6.499 1.012 1.00 0.00 H new ATOM 0 HA ASP A 21 14.028 -8.954 0.737 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.011 -7.249 3.008 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.777 -8.795 3.312 1.00 0.00 H new ATOM 347 N PHE A 22 11.830 -10.014 2.673 1.00 0.00 N ATOM 348 CA PHE A 22 10.743 -10.970 2.856 1.00 0.00 C ATOM 349 C PHE A 22 9.505 -10.337 2.243 1.00 0.00 C ATOM 350 O PHE A 22 9.561 -9.183 1.817 1.00 0.00 O ATOM 351 CB PHE A 22 10.519 -11.327 4.353 1.00 0.00 C ATOM 352 CG PHE A 22 9.753 -10.301 5.167 1.00 0.00 C ATOM 353 CD1 PHE A 22 8.550 -9.770 4.718 1.00 0.00 C ATOM 354 CD2 PHE A 22 10.252 -9.858 6.381 1.00 0.00 C ATOM 355 CE1 PHE A 22 7.869 -8.824 5.448 1.00 0.00 C ATOM 356 CE2 PHE A 22 9.573 -8.906 7.117 1.00 0.00 C ATOM 357 CZ PHE A 22 8.384 -8.387 6.647 1.00 0.00 C ATOM 0 H PHE A 22 12.331 -9.750 3.521 1.00 0.00 H new ATOM 0 HA PHE A 22 10.983 -11.915 2.369 1.00 0.00 H new ATOM 0 HB2 PHE A 22 9.986 -12.276 4.405 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.492 -11.481 4.820 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.141 -10.107 3.777 1.00 0.00 H new ATOM 0 HD2 PHE A 22 11.181 -10.261 6.756 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.934 -8.426 5.082 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.973 -8.568 8.061 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.858 -7.638 7.220 1.00 0.00 H new ATOM 367 N PRO A 23 8.370 -11.027 2.184 1.00 0.00 N ATOM 368 CA PRO A 23 7.172 -10.435 1.612 1.00 0.00 C ATOM 369 C PRO A 23 6.701 -9.196 2.388 1.00 0.00 C ATOM 370 O PRO A 23 5.645 -9.235 3.016 1.00 0.00 O ATOM 371 CB PRO A 23 6.138 -11.561 1.690 1.00 0.00 C ATOM 372 CG PRO A 23 6.640 -12.462 2.760 1.00 0.00 C ATOM 373 CD PRO A 23 8.139 -12.400 2.664 1.00 0.00 C ATOM 0 HA PRO A 23 7.341 -10.076 0.597 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.148 -11.173 1.931 1.00 0.00 H new ATOM 0 HB3 PRO A 23 6.052 -12.086 0.739 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.295 -12.136 3.741 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.279 -13.481 2.617 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.615 -12.579 3.628 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.533 -13.144 1.971 1.00 0.00 H new ATOM 381 N ILE A 24 7.485 -8.089 2.309 1.00 0.00 N ATOM 382 CA ILE A 24 7.146 -6.799 2.956 1.00 0.00 C ATOM 383 C ILE A 24 7.960 -6.448 4.217 1.00 0.00 C ATOM 384 O ILE A 24 7.398 -6.316 5.304 1.00 0.00 O ATOM 385 CB ILE A 24 5.642 -6.723 3.279 1.00 0.00 C ATOM 386 CG1 ILE A 24 4.842 -6.924 1.998 1.00 0.00 C ATOM 387 CG2 ILE A 24 5.283 -5.392 3.916 1.00 0.00 C ATOM 388 CD1 ILE A 24 5.238 -5.954 0.913 1.00 0.00 C ATOM 0 H ILE A 24 8.366 -8.068 1.796 1.00 0.00 H new ATOM 0 HA ILE A 24 7.423 -6.052 2.212 1.00 0.00 H new ATOM 0 HB ILE A 24 5.399 -7.510 3.993 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.985 -7.943 1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.780 -6.809 2.215 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.215 -5.368 4.132 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.844 -5.269 4.843 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.532 -4.582 3.231 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.638 -6.140 0.022 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.069 -4.934 1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.293 -6.086 0.674 1.00 0.00 H new ATOM 400 N ASN A 25 9.269 -6.245 4.066 1.00 0.00 N ATOM 401 CA ASN A 25 10.127 -5.859 5.201 1.00 0.00 C ATOM 402 C ASN A 25 9.764 -4.475 5.726 1.00 0.00 C ATOM 403 O ASN A 25 10.571 -3.547 5.640 1.00 0.00 O ATOM 404 CB ASN A 25 11.593 -5.823 4.784 1.00 0.00 C ATOM 405 CG ASN A 25 12.316 -7.131 4.988 1.00 0.00 C ATOM 406 OD1 ASN A 25 11.590 -8.222 4.905 1.00 0.00 O flip ATOM 407 ND2 ASN A 25 13.532 -7.157 5.182 1.00 0.00 N flip ATOM 0 H ASN A 25 9.762 -6.339 3.178 1.00 0.00 H new ATOM 0 HA ASN A 25 9.969 -6.605 5.980 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.655 -5.544 3.732 1.00 0.00 H new ATOM 0 HB3 ASN A 25 12.103 -5.044 5.351 1.00 0.00 H new ATOM 0 HD21 ASN A 25 14.058 -6.285 5.240 1.00 0.00 H new ATOM 0 HD22 ASN A 25 14.013 -8.051 5.285 1.00 0.00 H new ATOM 414 N SER A 26 8.560 -4.317 6.247 1.00 0.00 N ATOM 415 CA SER A 26 8.135 -3.020 6.745 1.00 0.00 C ATOM 416 C SER A 26 8.225 -2.003 5.617 1.00 0.00 C ATOM 417 O SER A 26 8.909 -2.229 4.620 1.00 0.00 O ATOM 418 CB SER A 26 9.004 -2.569 7.921 1.00 0.00 C ATOM 419 OG SER A 26 10.266 -2.098 7.479 1.00 0.00 O ATOM 0 H SER A 26 7.867 -5.060 6.336 1.00 0.00 H new ATOM 0 HA SER A 26 7.107 -3.099 7.098 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.492 -1.780 8.473 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.145 -3.401 8.611 1.00 0.00 H new ATOM 0 HG SER A 26 10.427 -2.406 6.563 1.00 0.00 H new ATOM 425 N PRO A 27 7.526 -0.879 5.731 1.00 0.00 N ATOM 426 CA PRO A 27 7.544 0.131 4.687 1.00 0.00 C ATOM 427 C PRO A 27 8.949 0.554 4.293 1.00 0.00 C ATOM 428 O PRO A 27 9.203 0.846 3.134 1.00 0.00 O ATOM 429 CB PRO A 27 6.750 1.293 5.284 1.00 0.00 C ATOM 430 CG PRO A 27 5.877 0.662 6.319 1.00 0.00 C ATOM 431 CD PRO A 27 6.651 -0.511 6.855 1.00 0.00 C ATOM 0 HA PRO A 27 7.114 -0.244 3.758 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.411 2.039 5.725 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.158 1.801 4.523 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.640 1.369 7.114 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.930 0.340 5.887 1.00 0.00 H new ATOM 0 HD2 PRO A 27 7.226 -0.243 7.742 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.993 -1.332 7.138 1.00 0.00 H new ATOM 439 N GLU A 28 9.871 0.578 5.236 1.00 0.00 N ATOM 440 CA GLU A 28 11.235 0.964 4.909 1.00 0.00 C ATOM 441 C GLU A 28 11.757 0.133 3.731 1.00 0.00 C ATOM 442 O GLU A 28 12.156 0.674 2.695 1.00 0.00 O ATOM 443 CB GLU A 28 12.145 0.775 6.125 1.00 0.00 C ATOM 444 CG GLU A 28 11.686 1.544 7.354 1.00 0.00 C ATOM 445 CD GLU A 28 11.652 3.043 7.129 1.00 0.00 C ATOM 446 OE1 GLU A 28 10.899 3.493 6.240 1.00 0.00 O ATOM 447 OE2 GLU A 28 12.378 3.767 7.842 1.00 0.00 O ATOM 0 H GLU A 28 9.709 0.341 6.215 1.00 0.00 H new ATOM 0 HA GLU A 28 11.238 2.016 4.625 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.196 -0.286 6.369 1.00 0.00 H new ATOM 0 HB3 GLU A 28 13.155 1.091 5.865 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.692 1.201 7.641 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.353 1.321 8.187 1.00 0.00 H new ATOM 454 N GLU A 29 11.745 -1.184 3.892 1.00 0.00 N ATOM 455 CA GLU A 29 12.220 -2.084 2.860 1.00 0.00 C ATOM 456 C GLU A 29 11.239 -2.252 1.712 1.00 0.00 C ATOM 457 O GLU A 29 11.580 -1.999 0.564 1.00 0.00 O ATOM 458 CB GLU A 29 12.422 -3.427 3.471 1.00 0.00 C ATOM 459 CG GLU A 29 13.123 -4.395 2.540 1.00 0.00 C ATOM 460 CD GLU A 29 14.472 -3.877 2.077 1.00 0.00 C ATOM 461 OE1 GLU A 29 15.343 -3.638 2.940 1.00 0.00 O ATOM 462 OE2 GLU A 29 14.656 -3.710 0.854 1.00 0.00 O ATOM 0 H GLU A 29 11.409 -1.651 4.734 1.00 0.00 H new ATOM 0 HA GLU A 29 13.138 -1.655 2.458 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.006 -3.321 4.385 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.455 -3.840 3.757 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.258 -5.350 3.048 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.491 -4.582 1.672 1.00 0.00 H new ATOM 469 N LEU A 30 10.024 -2.706 2.021 1.00 0.00 N ATOM 470 CA LEU A 30 9.019 -2.928 0.989 1.00 0.00 C ATOM 471 C LEU A 30 8.902 -1.688 0.110 1.00 0.00 C ATOM 472 O LEU A 30 8.914 -1.783 -1.120 1.00 0.00 O ATOM 473 CB LEU A 30 7.673 -3.259 1.638 1.00 0.00 C ATOM 474 CG LEU A 30 7.011 -2.091 2.366 1.00 0.00 C ATOM 475 CD1 LEU A 30 6.253 -1.201 1.391 1.00 0.00 C ATOM 476 CD2 LEU A 30 6.089 -2.583 3.467 1.00 0.00 C ATOM 0 H LEU A 30 9.717 -2.924 2.969 1.00 0.00 H new ATOM 0 HA LEU A 30 9.319 -3.770 0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.993 -3.621 0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.817 -4.076 2.345 1.00 0.00 H new ATOM 0 HG LEU A 30 7.801 -1.498 2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.791 -0.377 1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.945 -0.803 0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.480 -1.785 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.632 -1.729 3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.309 -3.211 3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.663 -3.163 4.190 1.00 0.00 H new ATOM 488 N MET A 31 8.841 -0.521 0.746 1.00 0.00 N ATOM 489 CA MET A 31 8.773 0.731 0.013 1.00 0.00 C ATOM 490 C MET A 31 10.063 0.898 -0.772 1.00 0.00 C ATOM 491 O MET A 31 10.072 1.481 -1.857 1.00 0.00 O ATOM 492 CB MET A 31 8.579 1.919 0.957 1.00 0.00 C ATOM 493 CG MET A 31 7.920 3.125 0.314 1.00 0.00 C ATOM 494 SD MET A 31 7.696 4.485 1.482 1.00 0.00 S ATOM 495 CE MET A 31 6.817 3.669 2.812 1.00 0.00 C ATOM 0 H MET A 31 8.837 -0.421 1.761 1.00 0.00 H new ATOM 0 HA MET A 31 7.917 0.704 -0.661 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.975 1.599 1.806 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.550 2.217 1.351 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.528 3.465 -0.524 1.00 0.00 H new ATOM 0 HG3 MET A 31 6.951 2.834 -0.092 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.153 4.382 3.301 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.229 2.845 2.408 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.533 3.283 3.538 1.00 0.00 H new ATOM 505 N ALA A 32 11.161 0.366 -0.220 1.00 0.00 N ATOM 506 CA ALA A 32 12.448 0.452 -0.890 1.00 0.00 C ATOM 507 C ALA A 32 12.466 -0.416 -2.146 1.00 0.00 C ATOM 508 O ALA A 32 13.159 -0.109 -3.117 1.00 0.00 O ATOM 509 CB ALA A 32 13.567 0.052 0.057 1.00 0.00 C ATOM 0 H ALA A 32 11.177 -0.120 0.676 1.00 0.00 H new ATOM 0 HA ALA A 32 12.607 1.487 -1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.524 0.122 -0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.571 0.720 0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.410 -0.973 0.393 1.00 0.00 H new ATOM 515 N ALA A 33 11.706 -1.509 -2.115 1.00 0.00 N ATOM 516 CA ALA A 33 11.636 -2.433 -3.238 1.00 0.00 C ATOM 517 C ALA A 33 10.921 -1.822 -4.434 1.00 0.00 C ATOM 518 O ALA A 33 11.300 -2.065 -5.580 1.00 0.00 O ATOM 519 CB ALA A 33 10.941 -3.711 -2.812 1.00 0.00 C ATOM 0 H ALA A 33 11.128 -1.775 -1.318 1.00 0.00 H new ATOM 0 HA ALA A 33 12.657 -2.657 -3.547 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.892 -4.398 -3.657 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.499 -4.175 -1.999 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.931 -3.480 -2.473 1.00 0.00 H new ATOM 525 N LEU A 34 9.876 -1.043 -4.159 1.00 0.00 N ATOM 526 CA LEU A 34 9.084 -0.400 -5.217 1.00 0.00 C ATOM 527 C LEU A 34 9.940 -0.033 -6.434 1.00 0.00 C ATOM 528 O LEU A 34 11.084 0.401 -6.295 1.00 0.00 O ATOM 529 CB LEU A 34 8.371 0.844 -4.674 1.00 0.00 C ATOM 530 CG LEU A 34 7.065 0.564 -3.920 1.00 0.00 C ATOM 531 CD1 LEU A 34 7.307 -0.383 -2.761 1.00 0.00 C ATOM 532 CD2 LEU A 34 6.437 1.859 -3.420 1.00 0.00 C ATOM 0 H LEU A 34 9.554 -0.839 -3.213 1.00 0.00 H new ATOM 0 HA LEU A 34 8.338 -1.123 -5.547 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.052 1.373 -4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.156 1.514 -5.507 1.00 0.00 H new ATOM 0 HG LEU A 34 6.372 0.092 -4.616 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.368 -0.568 -2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.704 -1.325 -3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.023 0.063 -2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.512 1.634 -2.889 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.130 2.362 -2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.219 2.509 -4.268 1.00 0.00 H new ATOM 544 N PRO A 35 9.393 -0.225 -7.652 1.00 0.00 N ATOM 545 CA PRO A 35 10.093 0.063 -8.910 1.00 0.00 C ATOM 546 C PRO A 35 10.763 1.433 -8.916 1.00 0.00 C ATOM 547 O PRO A 35 11.819 1.616 -9.522 1.00 0.00 O ATOM 548 CB PRO A 35 8.982 0.004 -9.975 1.00 0.00 C ATOM 549 CG PRO A 35 7.697 -0.121 -9.219 1.00 0.00 C ATOM 550 CD PRO A 35 8.046 -0.749 -7.904 1.00 0.00 C ATOM 0 HA PRO A 35 10.903 -0.646 -9.082 1.00 0.00 H new ATOM 0 HB2 PRO A 35 8.986 0.901 -10.594 1.00 0.00 H new ATOM 0 HB3 PRO A 35 9.126 -0.845 -10.644 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.234 0.855 -9.074 1.00 0.00 H new ATOM 0 HG3 PRO A 35 6.981 -0.735 -9.766 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.346 -0.464 -7.119 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.037 -1.838 -7.959 1.00 0.00 H new ATOM 558 N ASN A 36 10.145 2.388 -8.239 1.00 0.00 N ATOM 559 CA ASN A 36 10.679 3.743 -8.162 1.00 0.00 C ATOM 560 C ASN A 36 11.915 3.783 -7.266 1.00 0.00 C ATOM 561 O ASN A 36 12.778 4.647 -7.423 1.00 0.00 O ATOM 562 CB ASN A 36 9.596 4.691 -7.640 1.00 0.00 C ATOM 563 CG ASN A 36 10.117 6.061 -7.262 1.00 0.00 C ATOM 564 OD1 ASN A 36 9.822 6.467 -6.033 1.00 0.00 O flip ATOM 565 ND2 ASN A 36 10.759 6.746 -8.059 1.00 0.00 N flip ATOM 0 H ASN A 36 9.270 2.251 -7.733 1.00 0.00 H new ATOM 0 HA ASN A 36 10.980 4.066 -9.159 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.825 4.803 -8.403 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.120 4.240 -6.769 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.960 6.388 -8.993 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.090 7.671 -7.785 1.00 0.00 H new ATOM 572 N GLY A 37 11.997 2.839 -6.335 1.00 0.00 N ATOM 573 CA GLY A 37 13.134 2.779 -5.436 1.00 0.00 C ATOM 574 C GLY A 37 12.796 3.209 -4.019 1.00 0.00 C ATOM 575 O GLY A 37 12.784 2.382 -3.111 1.00 0.00 O ATOM 0 H GLY A 37 11.295 2.114 -6.187 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.522 1.760 -5.418 1.00 0.00 H new ATOM 0 HA3 GLY A 37 13.929 3.416 -5.823 1.00 0.00 H new ATOM 579 N PRO A 38 12.520 4.505 -3.793 1.00 0.00 N ATOM 580 CA PRO A 38 12.189 5.020 -2.464 1.00 0.00 C ATOM 581 C PRO A 38 10.735 4.771 -2.077 1.00 0.00 C ATOM 582 O PRO A 38 10.445 4.364 -0.952 1.00 0.00 O ATOM 583 CB PRO A 38 12.448 6.516 -2.608 1.00 0.00 C ATOM 584 CG PRO A 38 12.130 6.809 -4.032 1.00 0.00 C ATOM 585 CD PRO A 38 12.516 5.574 -4.811 1.00 0.00 C ATOM 0 HA PRO A 38 12.771 4.533 -1.682 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.819 7.095 -1.933 1.00 0.00 H new ATOM 0 HB3 PRO A 38 13.483 6.765 -2.372 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.070 7.033 -4.156 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.683 7.680 -4.383 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.803 5.365 -5.609 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.494 5.685 -5.279 1.00 0.00 H new ATOM 593 N ASP A 39 9.825 5.040 -3.010 1.00 0.00 N ATOM 594 CA ASP A 39 8.407 4.872 -2.775 1.00 0.00 C ATOM 595 C ASP A 39 7.575 5.266 -3.998 1.00 0.00 C ATOM 596 O ASP A 39 6.977 6.342 -4.023 1.00 0.00 O ATOM 597 CB ASP A 39 7.987 5.725 -1.591 1.00 0.00 C ATOM 598 CG ASP A 39 8.326 7.191 -1.784 1.00 0.00 C ATOM 599 OD1 ASP A 39 9.522 7.508 -1.947 1.00 0.00 O ATOM 600 OD2 ASP A 39 7.393 8.021 -1.773 1.00 0.00 O ATOM 0 H ASP A 39 10.056 5.379 -3.944 1.00 0.00 H new ATOM 0 HA ASP A 39 8.227 3.817 -2.570 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.913 5.621 -1.435 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.478 5.357 -0.690 1.00 0.00 H new ATOM 605 N THR A 40 7.535 4.404 -5.016 1.00 0.00 N ATOM 606 CA THR A 40 6.766 4.703 -6.224 1.00 0.00 C ATOM 607 C THR A 40 5.316 5.030 -5.877 1.00 0.00 C ATOM 608 O THR A 40 4.694 4.336 -5.073 1.00 0.00 O ATOM 609 CB THR A 40 6.775 3.531 -7.236 1.00 0.00 C ATOM 610 OG1 THR A 40 6.253 3.975 -8.494 1.00 0.00 O ATOM 611 CG2 THR A 40 5.942 2.359 -6.737 1.00 0.00 C ATOM 0 H THR A 40 8.019 3.506 -5.029 1.00 0.00 H new ATOM 0 HA THR A 40 7.249 5.565 -6.685 1.00 0.00 H new ATOM 0 HB THR A 40 7.806 3.197 -7.352 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.262 3.232 -9.132 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.970 1.554 -7.471 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.348 2.001 -5.791 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.911 2.681 -6.591 1.00 0.00 H new ATOM 619 N THR A 41 4.779 6.081 -6.484 1.00 0.00 N ATOM 620 CA THR A 41 3.400 6.474 -6.226 1.00 0.00 C ATOM 621 C THR A 41 2.446 5.847 -7.239 1.00 0.00 C ATOM 622 O THR A 41 2.503 6.151 -8.430 1.00 0.00 O ATOM 623 CB THR A 41 3.232 8.007 -6.265 1.00 0.00 C ATOM 624 OG1 THR A 41 4.181 8.627 -5.388 1.00 0.00 O ATOM 625 CG2 THR A 41 1.822 8.407 -5.854 1.00 0.00 C ATOM 0 H THR A 41 5.273 6.672 -7.153 1.00 0.00 H new ATOM 0 HA THR A 41 3.155 6.113 -5.227 1.00 0.00 H new ATOM 0 HB THR A 41 3.407 8.343 -7.287 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.069 9.600 -5.420 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.727 9.492 -5.889 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.102 7.957 -6.538 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.626 8.058 -4.840 1.00 0.00 H new ATOM 633 N CYS A 42 1.557 4.984 -6.754 1.00 0.00 N ATOM 634 CA CYS A 42 0.575 4.331 -7.612 1.00 0.00 C ATOM 635 C CYS A 42 -0.716 5.140 -7.634 1.00 0.00 C ATOM 636 O CYS A 42 -1.810 4.599 -7.474 1.00 0.00 O ATOM 637 CB CYS A 42 0.295 2.907 -7.123 1.00 0.00 C ATOM 638 SG CYS A 42 1.758 1.846 -7.066 1.00 0.00 S ATOM 0 H CYS A 42 1.497 4.721 -5.770 1.00 0.00 H new ATOM 0 HA CYS A 42 0.979 4.276 -8.623 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.144 2.956 -6.127 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.448 2.449 -7.776 1.00 0.00 H new ATOM 0 HG CYS A 42 1.536 0.843 -6.270 1.00 0.00 H new ATOM 644 N LYS A 43 -0.573 6.448 -7.814 1.00 0.00 N ATOM 645 CA LYS A 43 -1.714 7.352 -7.835 1.00 0.00 C ATOM 646 C LYS A 43 -2.491 7.263 -9.141 1.00 0.00 C ATOM 647 O LYS A 43 -1.940 7.472 -10.222 1.00 0.00 O ATOM 648 CB LYS A 43 -1.242 8.791 -7.622 1.00 0.00 C ATOM 649 CG LYS A 43 -0.240 9.266 -8.662 1.00 0.00 C ATOM 650 CD LYS A 43 0.200 10.697 -8.397 1.00 0.00 C ATOM 651 CE LYS A 43 1.207 11.170 -9.433 1.00 0.00 C ATOM 652 NZ LYS A 43 2.429 10.321 -9.446 1.00 0.00 N ATOM 0 H LYS A 43 0.328 6.907 -7.948 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.382 7.052 -7.027 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.107 9.454 -7.635 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.792 8.874 -6.633 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.630 8.610 -8.657 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.685 9.199 -9.655 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.670 11.354 -8.407 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.640 10.765 -7.402 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.745 11.157 -10.420 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.485 12.203 -9.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.180 10.801 -9.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.750 10.159 -8.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.213 9.408 -9.895 1.00 0.00 H new ATOM 666 N SER A 44 -3.782 6.985 -9.025 1.00 0.00 N ATOM 667 CA SER A 44 -4.653 6.908 -10.187 1.00 0.00 C ATOM 668 C SER A 44 -5.412 8.219 -10.330 1.00 0.00 C ATOM 669 O SER A 44 -6.129 8.629 -9.416 1.00 0.00 O ATOM 670 CB SER A 44 -5.631 5.739 -10.050 1.00 0.00 C ATOM 671 OG SER A 44 -4.941 4.507 -9.935 1.00 0.00 O ATOM 0 H SER A 44 -4.249 6.809 -8.136 1.00 0.00 H new ATOM 0 HA SER A 44 -4.049 6.739 -11.078 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.262 5.889 -9.174 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.291 5.710 -10.917 1.00 0.00 H new ATOM 0 HG SER A 44 -5.074 3.980 -10.751 1.00 0.00 H new ATOM 677 N GLY A 45 -5.237 8.889 -11.461 1.00 0.00 N ATOM 678 CA GLY A 45 -5.904 10.159 -11.663 1.00 0.00 C ATOM 679 C GLY A 45 -5.458 11.193 -10.645 1.00 0.00 C ATOM 680 O GLY A 45 -4.262 11.411 -10.458 1.00 0.00 O ATOM 0 H GLY A 45 -4.650 8.579 -12.236 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.695 10.524 -12.669 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.983 10.019 -11.592 1.00 0.00 H new ATOM 684 N ASP A 46 -6.419 11.827 -9.982 1.00 0.00 N ATOM 685 CA ASP A 46 -6.114 12.838 -8.975 1.00 0.00 C ATOM 686 C ASP A 46 -5.725 12.198 -7.641 1.00 0.00 C ATOM 687 O ASP A 46 -4.855 12.701 -6.930 1.00 0.00 O ATOM 688 CB ASP A 46 -7.311 13.773 -8.781 1.00 0.00 C ATOM 689 CG ASP A 46 -8.564 13.034 -8.351 1.00 0.00 C ATOM 690 OD1 ASP A 46 -8.554 12.432 -7.257 1.00 0.00 O ATOM 691 OD2 ASP A 46 -9.557 13.059 -9.109 1.00 0.00 O ATOM 0 H ASP A 46 -7.415 11.659 -10.123 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.262 13.417 -9.332 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.062 14.525 -8.032 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.508 14.303 -9.713 1.00 0.00 H new ATOM 696 N VAL A 47 -6.385 11.093 -7.304 1.00 0.00 N ATOM 697 CA VAL A 47 -6.125 10.387 -6.053 1.00 0.00 C ATOM 698 C VAL A 47 -4.731 9.761 -6.040 1.00 0.00 C ATOM 699 O VAL A 47 -4.261 9.251 -7.057 1.00 0.00 O ATOM 700 CB VAL A 47 -7.178 9.285 -5.815 1.00 0.00 C ATOM 701 CG1 VAL A 47 -6.988 8.637 -4.452 1.00 0.00 C ATOM 702 CG2 VAL A 47 -8.582 9.853 -5.953 1.00 0.00 C ATOM 0 H VAL A 47 -7.107 10.666 -7.883 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.184 11.125 -5.253 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.043 8.514 -6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.743 7.864 -4.308 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.995 8.190 -4.397 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.090 9.392 -3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.313 9.062 -5.782 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.727 10.646 -5.220 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.714 10.258 -6.956 1.00 0.00 H new ATOM 712 N GLU A 48 -4.073 9.802 -4.880 1.00 0.00 N ATOM 713 CA GLU A 48 -2.735 9.236 -4.739 1.00 0.00 C ATOM 714 C GLU A 48 -2.658 8.307 -3.531 1.00 0.00 C ATOM 715 O GLU A 48 -3.033 8.686 -2.421 1.00 0.00 O ATOM 716 CB GLU A 48 -1.699 10.353 -4.589 1.00 0.00 C ATOM 717 CG GLU A 48 -1.802 11.438 -5.650 1.00 0.00 C ATOM 718 CD GLU A 48 -0.786 12.547 -5.454 1.00 0.00 C ATOM 719 OE1 GLU A 48 0.002 12.470 -4.488 1.00 0.00 O ATOM 720 OE2 GLU A 48 -0.779 13.494 -6.268 1.00 0.00 O ATOM 0 H GLU A 48 -4.446 10.221 -4.028 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.520 8.659 -5.639 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.811 10.809 -3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.701 9.916 -4.626 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.661 10.992 -6.635 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.806 11.863 -5.633 1.00 0.00 H new ATOM 727 N LEU A 49 -2.158 7.095 -3.752 1.00 0.00 N ATOM 728 CA LEU A 49 -2.018 6.115 -2.680 1.00 0.00 C ATOM 729 C LEU A 49 -0.747 5.295 -2.857 1.00 0.00 C ATOM 730 O LEU A 49 -0.470 4.782 -3.943 1.00 0.00 O ATOM 731 CB LEU A 49 -3.227 5.175 -2.626 1.00 0.00 C ATOM 732 CG LEU A 49 -4.514 5.779 -2.059 1.00 0.00 C ATOM 733 CD1 LEU A 49 -4.255 6.404 -0.695 1.00 0.00 C ATOM 734 CD2 LEU A 49 -5.109 6.795 -3.022 1.00 0.00 C ATOM 0 H LEU A 49 -1.843 6.768 -4.665 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.960 6.667 -1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.430 4.816 -3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.961 4.305 -2.026 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.241 4.977 -1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.181 6.828 -0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.890 5.640 -0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.508 7.192 -0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.023 7.209 -2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.392 7.598 -3.193 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.340 6.307 -3.969 1.00 0.00 H new ATOM 746 N LYS A 50 0.022 5.179 -1.782 1.00 0.00 N ATOM 747 CA LYS A 50 1.266 4.426 -1.804 1.00 0.00 C ATOM 748 C LYS A 50 1.744 4.149 -0.387 1.00 0.00 C ATOM 749 O LYS A 50 1.182 4.660 0.578 1.00 0.00 O ATOM 750 CB LYS A 50 2.337 5.197 -2.573 1.00 0.00 C ATOM 751 CG LYS A 50 2.532 6.609 -2.058 1.00 0.00 C ATOM 752 CD LYS A 50 3.719 7.291 -2.713 1.00 0.00 C ATOM 753 CE LYS A 50 3.835 8.735 -2.259 1.00 0.00 C ATOM 754 NZ LYS A 50 2.708 9.567 -2.760 1.00 0.00 N ATOM 0 H LYS A 50 -0.197 5.600 -0.879 1.00 0.00 H new ATOM 0 HA LYS A 50 1.085 3.475 -2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.282 4.658 -2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.064 5.235 -3.627 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.630 7.192 -2.245 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.678 6.585 -0.978 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.634 6.753 -2.465 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.611 7.254 -3.797 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.857 8.772 -1.170 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.778 9.152 -2.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.593 10.400 -2.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.910 9.876 -3.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.832 9.007 -2.750 1.00 0.00 H new ATOM 768 N ALA A 51 2.779 3.333 -0.266 1.00 0.00 N ATOM 769 CA ALA A 51 3.326 2.983 1.037 1.00 0.00 C ATOM 770 C ALA A 51 3.801 4.220 1.799 1.00 0.00 C ATOM 771 O ALA A 51 3.690 4.287 3.020 1.00 0.00 O ATOM 772 CB ALA A 51 4.464 1.992 0.874 1.00 0.00 C ATOM 0 H ALA A 51 3.258 2.900 -1.055 1.00 0.00 H new ATOM 0 HA ALA A 51 2.530 2.522 1.622 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.867 1.736 1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.094 1.090 0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.250 2.437 0.264 1.00 0.00 H new ATOM 778 N SER A 52 4.348 5.190 1.079 1.00 0.00 N ATOM 779 CA SER A 52 4.854 6.407 1.709 1.00 0.00 C ATOM 780 C SER A 52 3.730 7.242 2.327 1.00 0.00 C ATOM 781 O SER A 52 3.750 7.528 3.525 1.00 0.00 O ATOM 782 CB SER A 52 5.626 7.245 0.690 1.00 0.00 C ATOM 783 OG SER A 52 6.109 8.443 1.275 1.00 0.00 O ATOM 0 H SER A 52 4.453 5.161 0.065 1.00 0.00 H new ATOM 0 HA SER A 52 5.523 6.104 2.515 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.462 6.666 0.297 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.979 7.484 -0.154 1.00 0.00 H new ATOM 0 HG SER A 52 6.721 8.888 0.652 1.00 0.00 H new ATOM 789 N ASP A 53 2.763 7.645 1.508 1.00 0.00 N ATOM 790 CA ASP A 53 1.648 8.461 1.983 1.00 0.00 C ATOM 791 C ASP A 53 0.679 7.664 2.853 1.00 0.00 C ATOM 792 O ASP A 53 0.370 8.061 3.972 1.00 0.00 O ATOM 793 CB ASP A 53 0.893 9.066 0.798 1.00 0.00 C ATOM 794 CG ASP A 53 1.736 10.050 0.010 1.00 0.00 C ATOM 795 OD1 ASP A 53 2.920 10.233 0.363 1.00 0.00 O ATOM 796 OD2 ASP A 53 1.213 10.639 -0.960 1.00 0.00 O ATOM 0 H ASP A 53 2.728 7.421 0.514 1.00 0.00 H new ATOM 0 HA ASP A 53 2.071 9.255 2.598 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.562 8.266 0.136 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.002 9.570 1.162 1.00 0.00 H new ATOM 801 N ALA A 54 0.188 6.550 2.323 1.00 0.00 N ATOM 802 CA ALA A 54 -0.765 5.711 3.046 1.00 0.00 C ATOM 803 C ALA A 54 -0.091 4.850 4.112 1.00 0.00 C ATOM 804 O ALA A 54 -0.575 4.756 5.240 1.00 0.00 O ATOM 805 CB ALA A 54 -1.531 4.833 2.069 1.00 0.00 C ATOM 0 H ALA A 54 0.433 6.205 1.395 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.457 6.377 3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.239 4.211 2.617 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.072 5.462 1.362 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.832 4.196 1.527 1.00 0.00 H new ATOM 811 N GLY A 55 1.017 4.212 3.748 1.00 0.00 N ATOM 812 CA GLY A 55 1.728 3.351 4.685 1.00 0.00 C ATOM 813 C GLY A 55 1.975 3.998 6.038 1.00 0.00 C ATOM 814 O GLY A 55 2.161 3.299 7.034 1.00 0.00 O ATOM 0 H GLY A 55 1.438 4.274 2.821 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.156 2.434 4.829 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.685 3.065 4.248 1.00 0.00 H new ATOM 818 N GLN A 56 1.982 5.330 6.078 1.00 0.00 N ATOM 819 CA GLN A 56 2.214 6.064 7.325 1.00 0.00 C ATOM 820 C GLN A 56 1.455 5.437 8.491 1.00 0.00 C ATOM 821 O GLN A 56 1.902 5.483 9.637 1.00 0.00 O ATOM 822 CB GLN A 56 1.774 7.522 7.176 1.00 0.00 C ATOM 823 CG GLN A 56 0.292 7.685 6.884 1.00 0.00 C ATOM 824 CD GLN A 56 -0.134 9.140 6.827 1.00 0.00 C ATOM 825 OE1 GLN A 56 0.049 9.889 7.786 1.00 0.00 O ATOM 826 NE2 GLN A 56 -0.711 9.548 5.703 1.00 0.00 N ATOM 0 H GLN A 56 1.830 5.924 5.263 1.00 0.00 H new ATOM 0 HA GLN A 56 3.283 6.017 7.534 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.016 8.061 8.092 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.347 7.985 6.373 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.057 7.204 5.934 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.285 7.171 7.653 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.844 8.894 4.931 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.021 10.515 5.611 1.00 0.00 H new ATOM 835 N VAL A 57 0.295 4.872 8.186 1.00 0.00 N ATOM 836 CA VAL A 57 -0.556 4.252 9.195 1.00 0.00 C ATOM 837 C VAL A 57 -0.080 2.858 9.614 1.00 0.00 C ATOM 838 O VAL A 57 -0.885 2.030 10.041 1.00 0.00 O ATOM 839 CB VAL A 57 -2.007 4.164 8.693 1.00 0.00 C ATOM 840 CG1 VAL A 57 -2.550 5.559 8.413 1.00 0.00 C ATOM 841 CG2 VAL A 57 -2.088 3.290 7.450 1.00 0.00 C ATOM 0 H VAL A 57 -0.082 4.830 7.239 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.498 4.893 10.075 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.621 3.705 9.468 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.578 5.485 8.058 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.524 6.150 9.328 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.937 6.042 7.652 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.122 3.239 7.108 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.466 3.718 6.663 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.734 2.287 7.687 1.00 0.00 H new ATOM 851 N LEU A 58 1.223 2.599 9.513 1.00 0.00 N ATOM 852 CA LEU A 58 1.768 1.303 9.909 1.00 0.00 C ATOM 853 C LEU A 58 2.920 1.498 10.893 1.00 0.00 C ATOM 854 O LEU A 58 3.954 2.071 10.550 1.00 0.00 O ATOM 855 CB LEU A 58 2.243 0.518 8.680 1.00 0.00 C ATOM 856 CG LEU A 58 1.228 0.438 7.533 1.00 0.00 C ATOM 857 CD1 LEU A 58 1.817 -0.311 6.348 1.00 0.00 C ATOM 858 CD2 LEU A 58 -0.062 -0.227 7.999 1.00 0.00 C ATOM 0 H LEU A 58 1.914 3.263 9.164 1.00 0.00 H new ATOM 0 HA LEU A 58 0.980 0.729 10.397 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.158 0.977 8.305 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.499 -0.495 8.991 1.00 0.00 H new ATOM 0 HG LEU A 58 0.993 1.454 7.215 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.082 -0.357 5.545 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.708 0.209 5.995 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.084 -1.323 6.653 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.768 -0.273 7.170 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.155 -1.237 8.348 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.497 0.353 8.813 1.00 0.00 H new ATOM 870 N THR A 59 2.724 1.028 12.122 1.00 0.00 N ATOM 871 CA THR A 59 3.732 1.158 13.170 1.00 0.00 C ATOM 872 C THR A 59 4.971 0.318 12.877 1.00 0.00 C ATOM 873 O THR A 59 4.905 -0.673 12.149 1.00 0.00 O ATOM 874 CB THR A 59 3.168 0.754 14.545 1.00 0.00 C ATOM 875 OG1 THR A 59 2.731 -0.610 14.514 1.00 0.00 O ATOM 876 CG2 THR A 59 2.006 1.654 14.937 1.00 0.00 C ATOM 0 H THR A 59 1.872 0.551 12.417 1.00 0.00 H new ATOM 0 HA THR A 59 4.017 2.210 13.190 1.00 0.00 H new ATOM 0 HB THR A 59 3.960 0.865 15.285 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.228 -1.097 13.824 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.623 1.350 15.911 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.347 2.688 14.987 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.213 1.569 14.194 1.00 0.00 H new ATOM 884 N ALA A 60 6.100 0.721 13.456 1.00 0.00 N ATOM 885 CA ALA A 60 7.361 0.009 13.268 1.00 0.00 C ATOM 886 C ALA A 60 7.199 -1.477 13.572 1.00 0.00 C ATOM 887 O ALA A 60 7.736 -2.328 12.865 1.00 0.00 O ATOM 888 CB ALA A 60 8.446 0.615 14.147 1.00 0.00 C ATOM 0 H ALA A 60 6.167 1.539 14.061 1.00 0.00 H new ATOM 0 HA ALA A 60 7.657 0.111 12.224 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.380 0.074 13.997 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.586 1.663 13.882 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.149 0.542 15.193 1.00 0.00 H new ATOM 894 N ASP A 61 6.445 -1.784 14.621 1.00 0.00 N ATOM 895 CA ASP A 61 6.200 -3.169 15.009 1.00 0.00 C ATOM 896 C ASP A 61 5.626 -3.964 13.837 1.00 0.00 C ATOM 897 O ASP A 61 5.736 -5.190 13.790 1.00 0.00 O ATOM 898 CB ASP A 61 5.241 -3.227 16.199 1.00 0.00 C ATOM 899 CG ASP A 61 5.781 -2.499 17.417 1.00 0.00 C ATOM 900 OD1 ASP A 61 6.899 -1.950 17.330 1.00 0.00 O ATOM 901 OD2 ASP A 61 5.086 -2.479 18.454 1.00 0.00 O ATOM 0 H ASP A 61 5.992 -1.093 15.219 1.00 0.00 H new ATOM 0 HA ASP A 61 7.151 -3.615 15.299 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.285 -2.789 15.912 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.050 -4.269 16.457 1.00 0.00 H new ATOM 906 N ASP A 62 5.007 -3.253 12.897 1.00 0.00 N ATOM 907 CA ASP A 62 4.404 -3.876 11.722 1.00 0.00 C ATOM 908 C ASP A 62 5.446 -4.462 10.771 1.00 0.00 C ATOM 909 O ASP A 62 5.089 -4.953 9.702 1.00 0.00 O ATOM 910 CB ASP A 62 3.568 -2.850 10.958 1.00 0.00 C ATOM 911 CG ASP A 62 2.512 -2.192 11.827 1.00 0.00 C ATOM 912 OD1 ASP A 62 2.418 -2.550 13.019 1.00 0.00 O ATOM 913 OD2 ASP A 62 1.783 -1.316 11.316 1.00 0.00 O ATOM 0 H ASP A 62 4.910 -2.238 12.928 1.00 0.00 H new ATOM 0 HA ASP A 62 3.778 -4.692 12.085 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.226 -2.083 10.549 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.084 -3.339 10.112 1.00 0.00 H new ATOM 918 N PHE A 63 6.729 -4.399 11.137 1.00 0.00 N ATOM 919 CA PHE A 63 7.788 -4.919 10.273 1.00 0.00 C ATOM 920 C PHE A 63 7.371 -6.222 9.594 1.00 0.00 C ATOM 921 O PHE A 63 7.221 -6.263 8.375 1.00 0.00 O ATOM 922 CB PHE A 63 9.083 -5.131 11.065 1.00 0.00 C ATOM 923 CG PHE A 63 10.143 -4.108 10.778 1.00 0.00 C ATOM 924 CD1 PHE A 63 9.844 -2.757 10.831 1.00 0.00 C ATOM 925 CD2 PHE A 63 11.433 -4.492 10.452 1.00 0.00 C ATOM 926 CE1 PHE A 63 10.810 -1.808 10.566 1.00 0.00 C ATOM 927 CE2 PHE A 63 12.405 -3.548 10.185 1.00 0.00 C ATOM 928 CZ PHE A 63 12.118 -2.227 10.251 1.00 0.00 C ATOM 0 H PHE A 63 7.056 -3.998 12.016 1.00 0.00 H new ATOM 0 HA PHE A 63 7.966 -4.175 9.497 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.853 -5.113 12.130 1.00 0.00 H new ATOM 0 HB3 PHE A 63 9.477 -6.122 10.840 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.842 -2.442 11.083 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.682 -5.542 10.406 1.00 0.00 H new ATOM 0 HE1 PHE A 63 10.566 -0.756 10.600 1.00 0.00 H new ATOM 0 HE2 PHE A 63 13.403 -3.867 9.921 1.00 0.00 H new ATOM 0 HZ PHE A 63 12.890 -1.496 10.063 1.00 0.00 H new ATOM 938 N PRO A 64 7.159 -7.297 10.370 1.00 0.00 N ATOM 939 CA PRO A 64 6.743 -8.592 9.821 1.00 0.00 C ATOM 940 C PRO A 64 5.306 -8.565 9.315 1.00 0.00 C ATOM 941 O PRO A 64 4.397 -9.079 9.965 1.00 0.00 O ATOM 942 CB PRO A 64 6.884 -9.542 11.008 1.00 0.00 C ATOM 943 CG PRO A 64 6.710 -8.676 12.206 1.00 0.00 C ATOM 944 CD PRO A 64 7.292 -7.338 11.839 1.00 0.00 C ATOM 0 HA PRO A 64 7.340 -8.885 8.958 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.132 -10.330 10.976 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.858 -10.031 11.011 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.657 -8.584 12.471 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.220 -9.099 13.071 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.750 -6.520 12.314 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.333 -7.254 12.150 1.00 0.00 H new ATOM 952 N PHE A 65 5.112 -7.960 8.149 1.00 0.00 N ATOM 953 CA PHE A 65 3.788 -7.860 7.550 1.00 0.00 C ATOM 954 C PHE A 65 3.378 -9.184 6.917 1.00 0.00 C ATOM 955 O PHE A 65 4.195 -9.865 6.298 1.00 0.00 O ATOM 956 CB PHE A 65 3.767 -6.768 6.479 1.00 0.00 C ATOM 957 CG PHE A 65 2.907 -5.586 6.824 1.00 0.00 C ATOM 958 CD1 PHE A 65 1.561 -5.596 6.510 1.00 0.00 C ATOM 959 CD2 PHE A 65 3.433 -4.476 7.466 1.00 0.00 C ATOM 960 CE1 PHE A 65 0.752 -4.524 6.823 1.00 0.00 C ATOM 961 CE2 PHE A 65 2.628 -3.400 7.785 1.00 0.00 C ATOM 962 CZ PHE A 65 1.285 -3.424 7.464 1.00 0.00 C ATOM 0 H PHE A 65 5.856 -7.531 7.599 1.00 0.00 H new ATOM 0 HA PHE A 65 3.083 -7.608 8.343 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.787 -6.424 6.307 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.414 -7.200 5.542 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.137 -6.456 6.012 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.483 -4.452 7.719 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.297 -4.545 6.567 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.049 -2.540 8.285 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.653 -2.584 7.714 1.00 0.00 H new ATOM 972 N LYS A 66 2.107 -9.536 7.072 1.00 0.00 N ATOM 973 CA LYS A 66 1.575 -10.772 6.510 1.00 0.00 C ATOM 974 C LYS A 66 1.593 -10.720 4.984 1.00 0.00 C ATOM 975 O LYS A 66 0.546 -10.680 4.328 1.00 0.00 O ATOM 976 CB LYS A 66 0.155 -11.026 7.008 1.00 0.00 C ATOM 977 CG LYS A 66 -0.406 -12.370 6.577 1.00 0.00 C ATOM 978 CD LYS A 66 0.439 -13.520 7.100 1.00 0.00 C ATOM 979 CE LYS A 66 -0.120 -14.866 6.667 1.00 0.00 C ATOM 980 NZ LYS A 66 -1.509 -15.076 7.161 1.00 0.00 N ATOM 0 H LYS A 66 1.423 -8.980 7.585 1.00 0.00 H new ATOM 0 HA LYS A 66 2.211 -11.593 6.840 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.144 -10.969 8.096 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.498 -10.234 6.641 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.428 -12.473 6.942 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.450 -12.415 5.489 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.461 -13.416 6.737 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.481 -13.476 8.188 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.108 -14.931 5.579 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.523 -15.663 7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.773 -16.074 7.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.561 -14.824 8.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.164 -14.476 6.620 1.00 0.00 H new ATOM 994 N SER A 67 2.794 -10.719 4.429 1.00 0.00 N ATOM 995 CA SER A 67 2.977 -10.681 2.990 1.00 0.00 C ATOM 996 C SER A 67 2.365 -9.426 2.369 1.00 0.00 C ATOM 997 O SER A 67 1.502 -8.770 2.960 1.00 0.00 O ATOM 998 CB SER A 67 2.390 -11.936 2.349 1.00 0.00 C ATOM 999 OG SER A 67 2.961 -13.106 2.907 1.00 0.00 O ATOM 0 H SER A 67 3.664 -10.744 4.961 1.00 0.00 H new ATOM 0 HA SER A 67 4.049 -10.649 2.795 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.310 -11.950 2.492 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.569 -11.917 1.274 1.00 0.00 H new ATOM 0 HG SER A 67 2.568 -13.897 2.482 1.00 0.00 H new ATOM 1005 N ALA A 68 2.832 -9.102 1.167 1.00 0.00 N ATOM 1006 CA ALA A 68 2.361 -7.932 0.436 1.00 0.00 C ATOM 1007 C ALA A 68 0.842 -7.904 0.344 1.00 0.00 C ATOM 1008 O ALA A 68 0.236 -6.835 0.280 1.00 0.00 O ATOM 1009 CB ALA A 68 2.984 -7.911 -0.952 1.00 0.00 C ATOM 0 H ALA A 68 3.544 -9.641 0.675 1.00 0.00 H new ATOM 0 HA ALA A 68 2.668 -7.040 0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.630 -7.035 -1.496 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.070 -7.869 -0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.699 -8.814 -1.492 1.00 0.00 H new ATOM 1015 N GLU A 69 0.230 -9.080 0.338 1.00 0.00 N ATOM 1016 CA GLU A 69 -1.220 -9.175 0.254 1.00 0.00 C ATOM 1017 C GLU A 69 -1.892 -8.446 1.416 1.00 0.00 C ATOM 1018 O GLU A 69 -2.828 -7.666 1.204 1.00 0.00 O ATOM 1019 CB GLU A 69 -1.662 -10.637 0.221 1.00 0.00 C ATOM 1020 CG GLU A 69 -1.163 -11.441 1.394 1.00 0.00 C ATOM 1021 CD GLU A 69 -1.522 -12.910 1.295 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -1.104 -13.559 0.314 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -2.223 -13.412 2.199 1.00 0.00 O ATOM 0 H GLU A 69 0.712 -9.977 0.390 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.531 -8.693 -0.673 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.751 -10.679 0.198 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.306 -11.095 -0.702 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.080 -11.340 1.463 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.581 -11.031 2.314 1.00 0.00 H new ATOM 1030 N GLU A 70 -1.426 -8.682 2.647 1.00 0.00 N ATOM 1031 CA GLU A 70 -2.032 -8.015 3.787 1.00 0.00 C ATOM 1032 C GLU A 70 -1.728 -6.528 3.747 1.00 0.00 C ATOM 1033 O GLU A 70 -2.560 -5.710 4.120 1.00 0.00 O ATOM 1034 CB GLU A 70 -1.611 -8.639 5.126 1.00 0.00 C ATOM 1035 CG GLU A 70 -0.472 -7.924 5.834 1.00 0.00 C ATOM 1036 CD GLU A 70 -0.562 -8.043 7.345 1.00 0.00 C ATOM 1037 OE1 GLU A 70 -1.522 -8.676 7.837 1.00 0.00 O ATOM 1038 OE2 GLU A 70 0.325 -7.502 8.037 1.00 0.00 O ATOM 0 H GLU A 70 -0.655 -9.311 2.869 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.111 -8.153 3.713 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.476 -8.659 5.789 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.318 -9.674 4.952 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.478 -8.337 5.496 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.479 -6.870 5.554 1.00 0.00 H new ATOM 1045 N VAL A 71 -0.534 -6.182 3.286 1.00 0.00 N ATOM 1046 CA VAL A 71 -0.146 -4.779 3.192 1.00 0.00 C ATOM 1047 C VAL A 71 -1.068 -4.033 2.235 1.00 0.00 C ATOM 1048 O VAL A 71 -1.519 -2.927 2.526 1.00 0.00 O ATOM 1049 CB VAL A 71 1.308 -4.617 2.719 1.00 0.00 C ATOM 1050 CG1 VAL A 71 1.680 -3.145 2.601 1.00 0.00 C ATOM 1051 CG2 VAL A 71 2.250 -5.332 3.667 1.00 0.00 C ATOM 0 H VAL A 71 0.177 -6.844 2.974 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.232 -4.357 4.193 1.00 0.00 H new ATOM 0 HB VAL A 71 1.400 -5.067 1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.713 -3.057 2.265 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.021 -2.660 1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.572 -2.663 3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.276 -5.210 3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.151 -4.908 4.666 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.001 -6.393 3.696 1.00 0.00 H new ATOM 1061 N ALA A 72 -1.348 -4.650 1.091 1.00 0.00 N ATOM 1062 CA ALA A 72 -2.219 -4.042 0.094 1.00 0.00 C ATOM 1063 C ALA A 72 -3.571 -3.682 0.698 1.00 0.00 C ATOM 1064 O ALA A 72 -4.053 -2.561 0.539 1.00 0.00 O ATOM 1065 CB ALA A 72 -2.401 -4.983 -1.089 1.00 0.00 C ATOM 0 H ALA A 72 -0.985 -5.568 0.833 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.749 -3.123 -0.255 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.054 -4.517 -1.827 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.431 -5.190 -1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.848 -5.916 -0.746 1.00 0.00 H new ATOM 1071 N ASP A 73 -4.178 -4.638 1.394 1.00 0.00 N ATOM 1072 CA ASP A 73 -5.476 -4.414 2.024 1.00 0.00 C ATOM 1073 C ASP A 73 -5.359 -3.448 3.204 1.00 0.00 C ATOM 1074 O ASP A 73 -6.205 -2.579 3.396 1.00 0.00 O ATOM 1075 CB ASP A 73 -6.072 -5.742 2.494 1.00 0.00 C ATOM 1076 CG ASP A 73 -6.290 -6.713 1.351 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -7.057 -6.376 0.423 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -5.696 -7.810 1.383 1.00 0.00 O ATOM 0 H ASP A 73 -3.794 -5.572 1.536 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.137 -3.967 1.281 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.408 -6.195 3.230 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.022 -5.554 2.994 1.00 0.00 H new ATOM 1083 N THR A 74 -4.310 -3.622 3.997 1.00 0.00 N ATOM 1084 CA THR A 74 -4.076 -2.785 5.170 1.00 0.00 C ATOM 1085 C THR A 74 -3.942 -1.309 4.798 1.00 0.00 C ATOM 1086 O THR A 74 -4.599 -0.451 5.387 1.00 0.00 O ATOM 1087 CB THR A 74 -2.804 -3.236 5.918 1.00 0.00 C ATOM 1088 OG1 THR A 74 -2.930 -4.607 6.312 1.00 0.00 O ATOM 1089 CG2 THR A 74 -2.550 -2.377 7.149 1.00 0.00 C ATOM 0 H THR A 74 -3.602 -4.341 3.849 1.00 0.00 H new ATOM 0 HA THR A 74 -4.944 -2.901 5.819 1.00 0.00 H new ATOM 0 HB THR A 74 -1.959 -3.122 5.239 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.506 -5.181 5.640 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.647 -2.721 7.653 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.423 -1.337 6.847 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.398 -2.457 7.829 1.00 0.00 H new ATOM 1097 N ILE A 75 -3.082 -1.018 3.829 1.00 0.00 N ATOM 1098 CA ILE A 75 -2.858 0.354 3.395 1.00 0.00 C ATOM 1099 C ILE A 75 -4.140 0.983 2.851 1.00 0.00 C ATOM 1100 O ILE A 75 -4.544 2.060 3.286 1.00 0.00 O ATOM 1101 CB ILE A 75 -1.749 0.422 2.321 1.00 0.00 C ATOM 1102 CG1 ILE A 75 -0.432 -0.107 2.889 1.00 0.00 C ATOM 1103 CG2 ILE A 75 -1.569 1.846 1.813 1.00 0.00 C ATOM 1104 CD1 ILE A 75 0.703 -0.106 1.887 1.00 0.00 C ATOM 0 H ILE A 75 -2.529 -1.714 3.330 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.538 0.919 4.270 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.050 -0.203 1.480 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.147 0.499 3.749 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.585 -1.123 3.252 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.783 1.866 1.058 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.503 2.196 1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.292 2.496 2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.606 -0.494 2.359 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.439 -0.736 1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.883 0.912 1.542 1.00 0.00 H new ATOM 1116 N VAL A 76 -4.773 0.308 1.900 1.00 0.00 N ATOM 1117 CA VAL A 76 -6.004 0.810 1.300 1.00 0.00 C ATOM 1118 C VAL A 76 -7.114 0.982 2.335 1.00 0.00 C ATOM 1119 O VAL A 76 -7.860 1.961 2.296 1.00 0.00 O ATOM 1120 CB VAL A 76 -6.498 -0.107 0.162 1.00 0.00 C ATOM 1121 CG1 VAL A 76 -5.585 0.013 -1.048 1.00 0.00 C ATOM 1122 CG2 VAL A 76 -6.582 -1.552 0.629 1.00 0.00 C ATOM 0 H VAL A 76 -4.456 -0.587 1.528 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.764 1.788 0.884 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.499 0.213 -0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.946 -0.640 -1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.581 1.045 -1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.572 -0.280 -0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.933 -2.179 -0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.596 -1.889 0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.278 -1.624 1.465 1.00 0.00 H new ATOM 1132 N ASN A 77 -7.223 0.033 3.260 1.00 0.00 N ATOM 1133 CA ASN A 77 -8.250 0.097 4.298 1.00 0.00 C ATOM 1134 C ASN A 77 -8.102 1.354 5.152 1.00 0.00 C ATOM 1135 O ASN A 77 -9.051 2.122 5.313 1.00 0.00 O ATOM 1136 CB ASN A 77 -8.181 -1.144 5.196 1.00 0.00 C ATOM 1137 CG ASN A 77 -8.605 -2.431 4.497 1.00 0.00 C ATOM 1138 OD1 ASN A 77 -8.957 -2.350 3.215 1.00 0.00 O flip ATOM 1139 ND2 ASN A 77 -8.615 -3.498 5.112 1.00 0.00 N flip ATOM 0 H ASN A 77 -6.617 -0.786 3.313 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.219 0.131 3.799 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.161 -1.260 5.563 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -8.818 -0.987 6.067 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.339 -3.523 6.094 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -8.899 -4.356 4.640 1.00 0.00 H new ATOM 1146 N LYS A 78 -6.911 1.548 5.704 1.00 0.00 N ATOM 1147 CA LYS A 78 -6.633 2.700 6.555 1.00 0.00 C ATOM 1148 C LYS A 78 -6.553 3.994 5.751 1.00 0.00 C ATOM 1149 O LYS A 78 -7.041 5.036 6.187 1.00 0.00 O ATOM 1150 CB LYS A 78 -5.326 2.477 7.310 1.00 0.00 C ATOM 1151 CG LYS A 78 -5.385 1.308 8.282 1.00 0.00 C ATOM 1152 CD LYS A 78 -4.050 1.082 8.970 1.00 0.00 C ATOM 1153 CE LYS A 78 -4.144 -0.010 10.025 1.00 0.00 C ATOM 1154 NZ LYS A 78 -4.576 -1.311 9.443 1.00 0.00 N ATOM 0 H LYS A 78 -6.118 0.919 5.577 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.457 2.800 7.261 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.525 2.303 6.592 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.072 3.384 7.858 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.154 1.496 9.032 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.676 0.404 7.747 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.299 0.809 8.229 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.717 2.010 9.434 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.174 -0.133 10.507 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.849 0.293 10.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.463 -1.615 9.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.726 -1.201 8.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.841 -2.027 9.610 1.00 0.00 H new ATOM 1168 N ALA A 79 -5.920 3.926 4.587 1.00 0.00 N ATOM 1169 CA ALA A 79 -5.759 5.103 3.738 1.00 0.00 C ATOM 1170 C ALA A 79 -7.095 5.589 3.182 1.00 0.00 C ATOM 1171 O ALA A 79 -7.274 6.782 2.936 1.00 0.00 O ATOM 1172 CB ALA A 79 -4.801 4.800 2.598 1.00 0.00 C ATOM 0 H ALA A 79 -5.510 3.072 4.209 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.347 5.900 4.357 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.689 5.685 1.972 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.830 4.518 3.004 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.196 3.980 1.999 1.00 0.00 H new ATOM 1178 N GLY A 80 -8.031 4.667 2.986 1.00 0.00 N ATOM 1179 CA GLY A 80 -9.332 5.043 2.462 1.00 0.00 C ATOM 1180 C GLY A 80 -10.003 3.919 1.707 1.00 0.00 C ATOM 1181 O GLY A 80 -11.131 3.532 2.015 1.00 0.00 O ATOM 0 H GLY A 80 -7.914 3.672 3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.974 5.356 3.285 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.219 5.902 1.801 1.00 0.00 H new ATOM 1185 N LEU A 81 -9.304 3.405 0.708 1.00 0.00 N ATOM 1186 CA LEU A 81 -9.815 2.327 -0.121 1.00 0.00 C ATOM 1187 C LEU A 81 -9.890 1.020 0.661 1.00 0.00 C ATOM 1188 O LEU A 81 -9.685 -0.049 0.049 1.00 0.00 O ATOM 1189 CB LEU A 81 -8.916 2.168 -1.343 1.00 0.00 C ATOM 1190 CG LEU A 81 -8.660 3.465 -2.111 1.00 0.00 C ATOM 1191 CD1 LEU A 81 -7.505 3.287 -3.084 1.00 0.00 C ATOM 1192 CD2 LEU A 81 -9.914 3.902 -2.848 1.00 0.00 C ATOM 1193 OXT LEU A 81 -10.153 1.076 1.881 1.00 0.00 O ATOM 0 H LEU A 81 -8.370 3.722 0.450 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.827 2.576 -0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.959 1.754 -1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.368 1.442 -2.019 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.392 4.243 -1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.336 4.219 -3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.604 3.017 -2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.746 2.496 -3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.714 4.827 -3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.211 3.126 -3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.718 4.068 -2.131 1.00 0.00 H new TER 1205 LEU A 81