USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 792 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 30 CYS SG : rot -80:sc= -3.05! USER MOD Set 1.2: A 33 CYS SG : rot 63:sc= -3.59! USER MOD Set 2.1: A 4 GLN :FLIP amide:sc= -0.4 F(o=-2.3,f=-0.4) USER MOD Set 2.2: A 26 TYR OH : rot 120:sc= 0 USER MOD Single : A 1 MET CE :methyl -145:sc= -0.527 (180deg=-1.96!) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.108 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -167:sc= -0.186 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -5.27! C(o=-5.3!,f=-11!) USER MOD Single : A 19 LYS NZ :NH3+ -166:sc= 1.21 (180deg=0.932) USER MOD Single : A 28 THR OG1 : rot -119:sc= 1.27 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -163:sc= -0.953 (180deg=-1.43) USER MOD Single : A 39 MET CE :methyl -152:sc= -7.28! (180deg=-10.4!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0844 K(o=-0.084,f=-0.74) USER MOD Single : A 47 TYR OH : rot 110:sc= -6.14! USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 176:sc= -0.448 (180deg=-0.595) USER MOD Single : A 65 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 171:sc= 1.25 (180deg=1.17) USER MOD Single : A 67 ASN :FLIP amide:sc= -5.49! C(o=-7.5!,f=-5.5!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -179:sc= -3.79! (180deg=-3.84!) USER MOD Single : A 74 THR OG1 : rot 112:sc= 0.797 USER MOD Single : A 79 LYS NZ :NH3+ -171:sc= 1.27 (180deg=1.26) USER MOD Single : A 80 ASN : amide:sc= -0.45 X(o=-0.45,f=-0.61) USER MOD Single : A 82 LYS NZ :NH3+ -170:sc=-0.00175 (180deg=-0.123) USER MOD Single : A 86 LYS NZ :NH3+ -176:sc= 0.613 (180deg=0.503) USER MOD Single : A 91 ASN : amide:sc= -2.16! C(o=-2.2!,f=-2.7!) USER MOD Single : A 96 LYS NZ :NH3+ 157:sc= -0.245 (180deg=-0.412) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 102 ASN : amide:sc= -1.03 X(o=-1,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.021 -6.526 10.500 1.00 0.00 N ATOM 2 CA MET A 1 -5.144 -5.346 10.684 1.00 0.00 C ATOM 3 C MET A 1 -4.125 -5.268 9.561 1.00 0.00 C ATOM 4 O MET A 1 -3.838 -6.268 8.911 1.00 0.00 O ATOM 5 CB MET A 1 -4.417 -5.403 12.027 1.00 0.00 C ATOM 6 CG MET A 1 -3.298 -6.426 12.097 1.00 0.00 C ATOM 7 SD MET A 1 -2.145 -6.068 13.433 1.00 0.00 S ATOM 8 CE MET A 1 -1.592 -4.434 12.941 1.00 0.00 C ATOM 0 H1 MET A 1 -6.978 -6.211 10.242 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.639 -7.128 9.743 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.063 -7.069 11.386 1.00 0.00 H new ATOM 0 HA MET A 1 -5.775 -4.457 10.667 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.005 -4.418 12.244 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.143 -5.624 12.809 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.723 -7.420 12.240 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.761 -6.443 11.149 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.541 -4.311 13.204 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.712 -4.318 11.864 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.186 -3.679 13.456 1.00 0.00 H new ATOM 20 N VAL A 2 -3.587 -4.078 9.335 1.00 0.00 N ATOM 21 CA VAL A 2 -2.572 -3.874 8.323 1.00 0.00 C ATOM 22 C VAL A 2 -1.266 -3.418 8.978 1.00 0.00 C ATOM 23 O VAL A 2 -1.247 -2.462 9.754 1.00 0.00 O ATOM 24 CB VAL A 2 -3.056 -2.854 7.275 1.00 0.00 C ATOM 25 CG1 VAL A 2 -1.961 -2.542 6.278 1.00 0.00 C ATOM 26 CG2 VAL A 2 -4.289 -3.385 6.564 1.00 0.00 C ATOM 0 H VAL A 2 -3.843 -3.234 9.847 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.386 -4.817 7.809 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.316 -1.928 7.788 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.328 -1.820 5.549 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.101 -2.125 6.801 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.665 -3.457 5.765 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.624 -2.657 5.825 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.046 -4.323 6.065 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.083 -3.556 7.291 1.00 0.00 H new ATOM 36 N THR A 3 -0.185 -4.116 8.659 1.00 0.00 N ATOM 37 CA THR A 3 1.078 -3.990 9.389 1.00 0.00 C ATOM 38 C THR A 3 1.854 -2.712 9.045 1.00 0.00 C ATOM 39 O THR A 3 1.935 -2.301 7.892 1.00 0.00 O ATOM 40 CB THR A 3 1.958 -5.227 9.121 1.00 0.00 C ATOM 41 OG1 THR A 3 1.194 -6.417 9.375 1.00 0.00 O ATOM 42 CG2 THR A 3 3.204 -5.227 9.998 1.00 0.00 C ATOM 0 H THR A 3 -0.154 -4.785 7.890 1.00 0.00 H new ATOM 0 HA THR A 3 0.825 -3.925 10.447 1.00 0.00 H new ATOM 0 HB THR A 3 2.278 -5.198 8.080 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.750 -7.206 9.204 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.801 -6.113 9.782 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.794 -4.334 9.792 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.910 -5.234 11.048 1.00 0.00 H new ATOM 50 N GLN A 4 2.418 -2.103 10.080 1.00 0.00 N ATOM 51 CA GLN A 4 3.198 -0.874 9.970 1.00 0.00 C ATOM 52 C GLN A 4 4.651 -1.148 9.564 1.00 0.00 C ATOM 53 O GLN A 4 5.343 -1.940 10.205 1.00 0.00 O ATOM 54 CB GLN A 4 3.186 -0.164 11.324 1.00 0.00 C ATOM 55 CG GLN A 4 1.940 0.645 11.603 1.00 0.00 C ATOM 56 CD GLN A 4 1.837 1.829 10.687 1.00 0.00 C ATOM 57 OE1 GLN A 4 1.263 1.604 9.535 1.00 0.00 O flip ATOM 58 NE2 GLN A 4 2.292 2.929 11.001 1.00 0.00 N flip ATOM 0 H GLN A 4 2.346 -2.453 11.035 1.00 0.00 H new ATOM 0 HA GLN A 4 2.747 -0.255 9.195 1.00 0.00 H new ATOM 0 HB2 GLN A 4 3.302 -0.909 12.111 1.00 0.00 H new ATOM 0 HB3 GLN A 4 4.051 0.496 11.380 1.00 0.00 H new ATOM 0 HG2 GLN A 4 1.060 0.013 11.483 1.00 0.00 H new ATOM 0 HG3 GLN A 4 1.950 0.985 12.639 1.00 0.00 H new ATOM 0 HE21 GLN A 4 2.732 3.058 11.912 1.00 0.00 H new ATOM 0 HE22 GLN A 4 2.229 3.712 10.350 1.00 0.00 H new ATOM 67 N PHE A 5 5.099 -0.485 8.502 1.00 0.00 N ATOM 68 CA PHE A 5 6.510 -0.497 8.105 1.00 0.00 C ATOM 69 C PHE A 5 7.311 0.475 8.951 1.00 0.00 C ATOM 70 O PHE A 5 6.754 1.294 9.687 1.00 0.00 O ATOM 71 CB PHE A 5 6.672 -0.073 6.650 1.00 0.00 C ATOM 72 CG PHE A 5 6.346 -1.121 5.624 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.511 -2.472 5.895 1.00 0.00 C ATOM 74 CD2 PHE A 5 5.905 -0.745 4.367 1.00 0.00 C ATOM 75 CE1 PHE A 5 6.244 -3.420 4.930 1.00 0.00 C ATOM 76 CE2 PHE A 5 5.630 -1.690 3.402 1.00 0.00 C ATOM 77 CZ PHE A 5 5.803 -3.029 3.682 1.00 0.00 C ATOM 0 H PHE A 5 4.501 0.074 7.893 1.00 0.00 H new ATOM 0 HA PHE A 5 6.871 -1.516 8.244 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.036 0.794 6.471 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.702 0.250 6.498 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.852 -2.784 6.871 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.775 0.303 4.139 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.380 -4.468 5.151 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.280 -1.382 2.428 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.594 -3.771 2.926 1.00 0.00 H new ATOM 87 N LYS A 6 8.628 0.392 8.822 1.00 0.00 N ATOM 88 CA LYS A 6 9.525 1.267 9.556 1.00 0.00 C ATOM 89 C LYS A 6 10.518 1.924 8.609 1.00 0.00 C ATOM 90 O LYS A 6 10.867 3.091 8.771 1.00 0.00 O ATOM 91 CB LYS A 6 10.290 0.479 10.625 1.00 0.00 C ATOM 92 CG LYS A 6 9.415 -0.458 11.438 1.00 0.00 C ATOM 93 CD LYS A 6 8.402 0.298 12.286 1.00 0.00 C ATOM 94 CE LYS A 6 7.446 -0.657 12.980 1.00 0.00 C ATOM 95 NZ LYS A 6 6.467 0.055 13.842 1.00 0.00 N ATOM 0 H LYS A 6 9.099 -0.277 8.212 1.00 0.00 H new ATOM 0 HA LYS A 6 8.924 2.037 10.040 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.077 -0.101 10.142 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.780 1.181 11.300 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.890 -1.137 10.766 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.043 -1.071 12.084 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.924 0.900 13.030 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.839 0.987 11.657 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.911 -1.240 12.231 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.016 -1.362 13.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.836 -0.636 14.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.975 0.592 14.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.904 0.709 13.261 1.00 0.00 H new ATOM 109 N THR A 7 10.974 1.159 7.627 1.00 0.00 N ATOM 110 CA THR A 7 11.961 1.644 6.668 1.00 0.00 C ATOM 111 C THR A 7 11.583 1.265 5.238 1.00 0.00 C ATOM 112 O THR A 7 10.566 0.600 5.010 1.00 0.00 O ATOM 113 CB THR A 7 13.354 1.061 6.975 1.00 0.00 C ATOM 114 OG1 THR A 7 13.259 -0.367 7.100 1.00 0.00 O ATOM 115 CG2 THR A 7 13.933 1.651 8.251 1.00 0.00 C ATOM 0 H THR A 7 10.676 0.196 7.472 1.00 0.00 H new ATOM 0 HA THR A 7 11.984 2.730 6.759 1.00 0.00 H new ATOM 0 HB THR A 7 14.021 1.319 6.152 1.00 0.00 H new ATOM 0 HG1 THR A 7 14.086 -0.717 7.493 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.916 1.219 8.439 1.00 0.00 H new ATOM 0 HG22 THR A 7 14.027 2.732 8.142 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.272 1.426 9.088 1.00 0.00 H new ATOM 123 N ALA A 8 12.402 1.676 4.275 1.00 0.00 N ATOM 124 CA ALA A 8 12.221 1.251 2.896 1.00 0.00 C ATOM 125 C ALA A 8 12.592 -0.216 2.772 1.00 0.00 C ATOM 126 O ALA A 8 12.066 -0.935 1.923 1.00 0.00 O ATOM 127 CB ALA A 8 13.053 2.091 1.943 1.00 0.00 C ATOM 0 H ALA A 8 13.194 2.301 4.426 1.00 0.00 H new ATOM 0 HA ALA A 8 11.175 1.389 2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.894 1.747 0.921 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.755 3.136 2.024 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.108 1.994 2.199 1.00 0.00 H new ATOM 133 N SER A 9 13.502 -0.649 3.641 1.00 0.00 N ATOM 134 CA SER A 9 13.856 -2.052 3.745 1.00 0.00 C ATOM 135 C SER A 9 12.601 -2.864 4.042 1.00 0.00 C ATOM 136 O SER A 9 12.369 -3.903 3.428 1.00 0.00 O ATOM 137 CB SER A 9 14.906 -2.256 4.842 1.00 0.00 C ATOM 138 OG SER A 9 15.389 -3.592 4.858 1.00 0.00 O ATOM 0 H SER A 9 14.007 -0.040 4.285 1.00 0.00 H new ATOM 0 HA SER A 9 14.285 -2.390 2.802 1.00 0.00 H new ATOM 0 HB2 SER A 9 15.737 -1.569 4.684 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.472 -2.013 5.812 1.00 0.00 H new ATOM 0 HG SER A 9 16.058 -3.689 5.567 1.00 0.00 H new ATOM 144 N GLU A 10 11.787 -2.367 4.974 1.00 0.00 N ATOM 145 CA GLU A 10 10.488 -2.959 5.256 1.00 0.00 C ATOM 146 C GLU A 10 9.646 -3.070 3.995 1.00 0.00 C ATOM 147 O GLU A 10 9.111 -4.139 3.689 1.00 0.00 O ATOM 148 CB GLU A 10 9.748 -2.120 6.283 1.00 0.00 C ATOM 149 CG GLU A 10 10.032 -2.539 7.701 1.00 0.00 C ATOM 150 CD GLU A 10 9.344 -3.836 8.072 1.00 0.00 C ATOM 151 OE1 GLU A 10 9.865 -4.913 7.716 1.00 0.00 O ATOM 152 OE2 GLU A 10 8.283 -3.785 8.723 1.00 0.00 O ATOM 0 H GLU A 10 12.010 -1.552 5.546 1.00 0.00 H new ATOM 0 HA GLU A 10 10.656 -3.962 5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.025 -1.073 6.157 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.676 -2.190 6.097 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.108 -2.651 7.835 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.707 -1.752 8.381 1.00 0.00 H new ATOM 159 N PHE A 11 9.540 -1.961 3.267 1.00 0.00 N ATOM 160 CA PHE A 11 8.716 -1.901 2.065 1.00 0.00 C ATOM 161 C PHE A 11 9.184 -2.939 1.057 1.00 0.00 C ATOM 162 O PHE A 11 8.442 -3.850 0.695 1.00 0.00 O ATOM 163 CB PHE A 11 8.776 -0.485 1.457 1.00 0.00 C ATOM 164 CG PHE A 11 7.756 -0.210 0.377 1.00 0.00 C ATOM 165 CD1 PHE A 11 7.877 -0.784 -0.878 1.00 0.00 C ATOM 166 CD2 PHE A 11 6.687 0.645 0.613 1.00 0.00 C ATOM 167 CE1 PHE A 11 6.954 -0.516 -1.873 1.00 0.00 C ATOM 168 CE2 PHE A 11 5.761 0.914 -0.385 1.00 0.00 C ATOM 169 CZ PHE A 11 5.897 0.332 -1.623 1.00 0.00 C ATOM 0 H PHE A 11 10.018 -1.088 3.491 1.00 0.00 H new ATOM 0 HA PHE A 11 7.682 -2.122 2.329 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.642 0.243 2.257 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.772 -0.325 1.044 1.00 0.00 H new ATOM 0 HD1 PHE A 11 8.703 -1.449 -1.082 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.575 1.105 1.584 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.062 -0.972 -2.846 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.934 1.580 -0.189 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.176 0.539 -2.399 1.00 0.00 H new ATOM 179 N ASP A 12 10.438 -2.817 0.661 1.00 0.00 N ATOM 180 CA ASP A 12 11.015 -3.652 -0.387 1.00 0.00 C ATOM 181 C ASP A 12 11.038 -5.128 0.010 1.00 0.00 C ATOM 182 O ASP A 12 10.866 -6.005 -0.836 1.00 0.00 O ATOM 183 CB ASP A 12 12.430 -3.172 -0.701 1.00 0.00 C ATOM 184 CG ASP A 12 13.025 -3.861 -1.909 1.00 0.00 C ATOM 185 OD1 ASP A 12 12.668 -3.485 -3.047 1.00 0.00 O ATOM 186 OD2 ASP A 12 13.864 -4.765 -1.730 1.00 0.00 O ATOM 0 H ASP A 12 11.089 -2.137 1.055 1.00 0.00 H new ATOM 0 HA ASP A 12 10.388 -3.561 -1.274 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.415 -2.096 -0.873 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.069 -3.348 0.164 1.00 0.00 H new ATOM 191 N SER A 13 11.244 -5.400 1.295 1.00 0.00 N ATOM 192 CA SER A 13 11.256 -6.772 1.788 1.00 0.00 C ATOM 193 C SER A 13 9.895 -7.424 1.580 1.00 0.00 C ATOM 194 O SER A 13 9.810 -8.578 1.155 1.00 0.00 O ATOM 195 CB SER A 13 11.642 -6.809 3.270 1.00 0.00 C ATOM 196 OG SER A 13 11.730 -8.140 3.755 1.00 0.00 O ATOM 0 H SER A 13 11.404 -4.691 2.011 1.00 0.00 H new ATOM 0 HA SER A 13 12.001 -7.333 1.223 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.599 -6.306 3.410 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.904 -6.257 3.852 1.00 0.00 H new ATOM 0 HG SER A 13 11.979 -8.127 4.703 1.00 0.00 H new ATOM 202 N ALA A 14 8.830 -6.682 1.869 1.00 0.00 N ATOM 203 CA ALA A 14 7.489 -7.177 1.638 1.00 0.00 C ATOM 204 C ALA A 14 7.260 -7.366 0.147 1.00 0.00 C ATOM 205 O ALA A 14 6.672 -8.350 -0.278 1.00 0.00 O ATOM 206 CB ALA A 14 6.443 -6.236 2.235 1.00 0.00 C ATOM 0 H ALA A 14 8.875 -5.742 2.261 1.00 0.00 H new ATOM 0 HA ALA A 14 7.384 -8.141 2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.446 -6.634 2.046 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.602 -6.151 3.310 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.534 -5.252 1.775 1.00 0.00 H new ATOM 212 N ILE A 15 7.771 -6.428 -0.638 1.00 0.00 N ATOM 213 CA ILE A 15 7.614 -6.448 -2.090 1.00 0.00 C ATOM 214 C ILE A 15 8.173 -7.725 -2.708 1.00 0.00 C ATOM 215 O ILE A 15 7.595 -8.282 -3.643 1.00 0.00 O ATOM 216 CB ILE A 15 8.333 -5.255 -2.742 1.00 0.00 C ATOM 217 CG1 ILE A 15 7.835 -3.932 -2.183 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.161 -5.268 -4.244 1.00 0.00 C ATOM 219 CD1 ILE A 15 6.333 -3.862 -1.994 1.00 0.00 C ATOM 0 H ILE A 15 8.305 -5.632 -0.290 1.00 0.00 H new ATOM 0 HA ILE A 15 6.542 -6.393 -2.278 1.00 0.00 H new ATOM 0 HB ILE A 15 9.393 -5.355 -2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.319 -3.751 -1.223 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.143 -3.129 -2.852 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.680 -4.413 -4.677 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.578 -6.189 -4.650 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.100 -5.211 -4.489 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.062 -2.886 -1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.838 -4.009 -2.954 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.017 -4.641 -1.300 1.00 0.00 H new ATOM 231 N ALA A 16 9.293 -8.188 -2.171 1.00 0.00 N ATOM 232 CA ALA A 16 10.048 -9.285 -2.766 1.00 0.00 C ATOM 233 C ALA A 16 9.368 -10.643 -2.598 1.00 0.00 C ATOM 234 O ALA A 16 9.930 -11.673 -2.971 1.00 0.00 O ATOM 235 CB ALA A 16 11.449 -9.319 -2.180 1.00 0.00 C ATOM 0 H ALA A 16 9.704 -7.817 -1.314 1.00 0.00 H new ATOM 0 HA ALA A 16 10.096 -9.096 -3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.010 -10.140 -2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.954 -8.377 -2.391 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.389 -9.465 -1.102 1.00 0.00 H new ATOM 241 N GLN A 17 8.167 -10.647 -2.052 1.00 0.00 N ATOM 242 CA GLN A 17 7.421 -11.869 -1.856 1.00 0.00 C ATOM 243 C GLN A 17 6.763 -12.311 -3.167 1.00 0.00 C ATOM 244 O GLN A 17 6.425 -11.481 -4.011 1.00 0.00 O ATOM 245 CB GLN A 17 6.366 -11.633 -0.782 1.00 0.00 C ATOM 246 CG GLN A 17 5.235 -10.719 -1.224 1.00 0.00 C ATOM 247 CD GLN A 17 4.224 -10.443 -0.126 1.00 0.00 C ATOM 248 OE1 GLN A 17 3.035 -10.307 -0.394 1.00 0.00 O ATOM 249 NE2 GLN A 17 4.691 -10.304 1.108 1.00 0.00 N ATOM 0 H GLN A 17 7.685 -9.806 -1.734 1.00 0.00 H new ATOM 0 HA GLN A 17 8.096 -12.663 -1.536 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.948 -12.593 -0.479 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.846 -11.203 0.097 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.654 -9.774 -1.569 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.724 -11.170 -2.075 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.687 -10.425 1.293 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.054 -10.077 1.872 1.00 0.00 H new ATOM 258 N ASP A 18 6.577 -13.615 -3.334 1.00 0.00 N ATOM 259 CA ASP A 18 5.967 -14.154 -4.552 1.00 0.00 C ATOM 260 C ASP A 18 4.444 -14.143 -4.454 1.00 0.00 C ATOM 261 O ASP A 18 3.778 -15.122 -4.797 1.00 0.00 O ATOM 262 CB ASP A 18 6.455 -15.581 -4.831 1.00 0.00 C ATOM 263 CG ASP A 18 7.863 -15.629 -5.387 1.00 0.00 C ATOM 264 OD1 ASP A 18 8.037 -15.387 -6.598 1.00 0.00 O ATOM 265 OD2 ASP A 18 8.804 -15.929 -4.619 1.00 0.00 O ATOM 0 H ASP A 18 6.838 -14.321 -2.645 1.00 0.00 H new ATOM 0 HA ASP A 18 6.272 -13.511 -5.378 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.415 -16.159 -3.908 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.776 -16.060 -5.536 1.00 0.00 H new ATOM 270 N LYS A 19 3.905 -13.027 -3.993 1.00 0.00 N ATOM 271 CA LYS A 19 2.469 -12.858 -3.820 1.00 0.00 C ATOM 272 C LYS A 19 2.128 -11.372 -3.839 1.00 0.00 C ATOM 273 O LYS A 19 3.017 -10.537 -4.005 1.00 0.00 O ATOM 274 CB LYS A 19 1.988 -13.514 -2.518 1.00 0.00 C ATOM 275 CG LYS A 19 2.920 -13.294 -1.340 1.00 0.00 C ATOM 276 CD LYS A 19 2.291 -13.722 -0.028 1.00 0.00 C ATOM 277 CE LYS A 19 3.272 -13.577 1.124 1.00 0.00 C ATOM 278 NZ LYS A 19 2.609 -13.715 2.446 1.00 0.00 N ATOM 0 H LYS A 19 4.452 -12.208 -3.727 1.00 0.00 H new ATOM 0 HA LYS A 19 1.953 -13.353 -4.643 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.002 -13.122 -2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.873 -14.585 -2.683 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.842 -13.853 -1.499 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.191 -12.240 -1.285 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.405 -13.119 0.167 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.961 -14.758 -0.100 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.053 -14.331 1.031 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.759 -12.604 1.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.250 -13.379 3.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.737 -13.148 2.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.375 -14.714 2.614 1.00 0.00 H new ATOM 292 N LEU A 20 0.850 -11.049 -3.692 1.00 0.00 N ATOM 293 CA LEU A 20 0.397 -9.671 -3.820 1.00 0.00 C ATOM 294 C LEU A 20 0.681 -8.875 -2.550 1.00 0.00 C ATOM 295 O LEU A 20 0.165 -9.188 -1.474 1.00 0.00 O ATOM 296 CB LEU A 20 -1.103 -9.639 -4.144 1.00 0.00 C ATOM 297 CG LEU A 20 -1.644 -8.330 -4.749 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.685 -7.212 -3.723 1.00 0.00 C ATOM 299 CD2 LEU A 20 -0.804 -7.912 -5.942 1.00 0.00 C ATOM 0 H LEU A 20 0.111 -11.720 -3.485 1.00 0.00 H new ATOM 0 HA LEU A 20 0.950 -9.206 -4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.320 -10.452 -4.837 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.655 -9.846 -3.227 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.666 -8.519 -5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.072 -6.305 -4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.333 -7.501 -2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.679 -7.026 -3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.199 -6.985 -6.358 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.227 -7.757 -5.624 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.836 -8.693 -6.701 1.00 0.00 H new ATOM 311 N VAL A 21 1.490 -7.838 -2.700 1.00 0.00 N ATOM 312 CA VAL A 21 1.796 -6.927 -1.610 1.00 0.00 C ATOM 313 C VAL A 21 1.207 -5.560 -1.898 1.00 0.00 C ATOM 314 O VAL A 21 1.680 -4.859 -2.786 1.00 0.00 O ATOM 315 CB VAL A 21 3.313 -6.746 -1.411 1.00 0.00 C ATOM 316 CG1 VAL A 21 3.692 -6.996 0.035 1.00 0.00 C ATOM 317 CG2 VAL A 21 4.105 -7.639 -2.357 1.00 0.00 C ATOM 0 H VAL A 21 1.952 -7.605 -3.579 1.00 0.00 H new ATOM 0 HA VAL A 21 1.367 -7.363 -0.708 1.00 0.00 H new ATOM 0 HB VAL A 21 3.568 -5.714 -1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.767 -6.864 0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.164 -6.290 0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.418 -8.014 0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.172 -7.488 -2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.853 -8.683 -2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.858 -7.386 -3.388 1.00 0.00 H new ATOM 327 N VAL A 22 0.177 -5.179 -1.172 1.00 0.00 N ATOM 328 CA VAL A 22 -0.404 -3.874 -1.341 1.00 0.00 C ATOM 329 C VAL A 22 -0.061 -2.997 -0.158 1.00 0.00 C ATOM 330 O VAL A 22 -0.418 -3.285 0.988 1.00 0.00 O ATOM 331 CB VAL A 22 -1.923 -3.955 -1.576 1.00 0.00 C ATOM 332 CG1 VAL A 22 -2.524 -5.156 -0.883 1.00 0.00 C ATOM 333 CG2 VAL A 22 -2.632 -2.672 -1.160 1.00 0.00 C ATOM 0 H VAL A 22 -0.271 -5.757 -0.461 1.00 0.00 H new ATOM 0 HA VAL A 22 0.022 -3.419 -2.235 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.073 -4.076 -2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.598 -5.184 -1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.065 -6.066 -1.269 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.343 -5.085 0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.702 -2.772 -1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.460 -2.489 -0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.241 -1.836 -1.740 1.00 0.00 H new ATOM 343 N VAL A 23 0.669 -1.940 -0.447 1.00 0.00 N ATOM 344 CA VAL A 23 1.173 -1.071 0.583 1.00 0.00 C ATOM 345 C VAL A 23 0.364 0.201 0.659 1.00 0.00 C ATOM 346 O VAL A 23 0.133 0.884 -0.343 1.00 0.00 O ATOM 347 CB VAL A 23 2.657 -0.729 0.376 1.00 0.00 C ATOM 348 CG1 VAL A 23 3.168 0.133 1.522 1.00 0.00 C ATOM 349 CG2 VAL A 23 3.476 -2.003 0.250 1.00 0.00 C ATOM 0 H VAL A 23 0.925 -1.665 -1.395 1.00 0.00 H new ATOM 0 HA VAL A 23 1.080 -1.613 1.524 1.00 0.00 H new ATOM 0 HB VAL A 23 2.762 -0.161 -0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.220 0.366 1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.594 1.058 1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.056 -0.408 2.462 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.526 -1.748 0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.370 -2.595 1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.121 -2.581 -0.603 1.00 0.00 H new ATOM 359 N ALA A 24 -0.065 0.489 1.860 1.00 0.00 N ATOM 360 CA ALA A 24 -0.841 1.667 2.158 1.00 0.00 C ATOM 361 C ALA A 24 0.084 2.828 2.477 1.00 0.00 C ATOM 362 O ALA A 24 0.574 2.952 3.601 1.00 0.00 O ATOM 363 CB ALA A 24 -1.721 1.379 3.353 1.00 0.00 C ATOM 0 H ALA A 24 0.118 -0.098 2.674 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.455 1.931 1.296 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.314 2.262 3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.386 0.547 3.123 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.098 1.120 4.209 1.00 0.00 H new ATOM 369 N PHE A 25 0.335 3.669 1.497 1.00 0.00 N ATOM 370 CA PHE A 25 1.226 4.792 1.693 1.00 0.00 C ATOM 371 C PHE A 25 0.434 6.067 1.914 1.00 0.00 C ATOM 372 O PHE A 25 -0.272 6.536 1.025 1.00 0.00 O ATOM 373 CB PHE A 25 2.156 4.941 0.497 1.00 0.00 C ATOM 374 CG PHE A 25 3.583 5.095 0.902 1.00 0.00 C ATOM 375 CD1 PHE A 25 4.102 6.341 1.198 1.00 0.00 C ATOM 376 CD2 PHE A 25 4.404 3.989 0.990 1.00 0.00 C ATOM 377 CE1 PHE A 25 5.420 6.478 1.572 1.00 0.00 C ATOM 378 CE2 PHE A 25 5.721 4.121 1.364 1.00 0.00 C ATOM 379 CZ PHE A 25 6.231 5.366 1.653 1.00 0.00 C ATOM 0 H PHE A 25 -0.063 3.597 0.561 1.00 0.00 H new ATOM 0 HA PHE A 25 1.830 4.606 2.581 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.056 4.068 -0.148 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.852 5.808 -0.090 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.469 7.214 1.136 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.008 3.010 0.763 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.818 7.455 1.802 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.354 3.249 1.431 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.266 5.472 1.943 1.00 0.00 H new ATOM 389 N TYR A 26 0.545 6.625 3.103 1.00 0.00 N ATOM 390 CA TYR A 26 -0.211 7.811 3.452 1.00 0.00 C ATOM 391 C TYR A 26 0.633 8.767 4.274 1.00 0.00 C ATOM 392 O TYR A 26 1.796 8.495 4.548 1.00 0.00 O ATOM 393 CB TYR A 26 -1.475 7.423 4.222 1.00 0.00 C ATOM 394 CG TYR A 26 -1.228 6.518 5.412 1.00 0.00 C ATOM 395 CD1 TYR A 26 -0.694 7.010 6.598 1.00 0.00 C ATOM 396 CD2 TYR A 26 -1.535 5.168 5.345 1.00 0.00 C ATOM 397 CE1 TYR A 26 -0.471 6.177 7.678 1.00 0.00 C ATOM 398 CE2 TYR A 26 -1.319 4.332 6.417 1.00 0.00 C ATOM 399 CZ TYR A 26 -0.785 4.838 7.583 1.00 0.00 C ATOM 400 OH TYR A 26 -0.565 4.005 8.659 1.00 0.00 O ATOM 0 H TYR A 26 1.152 6.276 3.844 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.500 8.317 2.531 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.969 8.331 4.568 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.164 6.926 3.539 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.450 8.059 6.676 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.952 4.764 4.434 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.053 6.573 8.592 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.567 3.283 6.345 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.414 3.605 8.942 1.00 0.00 H new ATOM 410 N ALA A 27 0.040 9.886 4.659 1.00 0.00 N ATOM 411 CA ALA A 27 0.714 10.872 5.485 1.00 0.00 C ATOM 412 C ALA A 27 -0.150 11.230 6.678 1.00 0.00 C ATOM 413 O ALA A 27 -1.333 11.534 6.528 1.00 0.00 O ATOM 414 CB ALA A 27 1.031 12.118 4.680 1.00 0.00 C ATOM 0 H ALA A 27 -0.917 10.134 4.409 1.00 0.00 H new ATOM 0 HA ALA A 27 1.651 10.442 5.840 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.536 12.844 5.317 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.680 11.856 3.844 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.106 12.550 4.299 1.00 0.00 H new ATOM 420 N THR A 28 0.446 11.200 7.860 1.00 0.00 N ATOM 421 CA THR A 28 -0.278 11.473 9.093 1.00 0.00 C ATOM 422 C THR A 28 -0.763 12.920 9.167 1.00 0.00 C ATOM 423 O THR A 28 -1.670 13.238 9.935 1.00 0.00 O ATOM 424 CB THR A 28 0.591 11.158 10.321 1.00 0.00 C ATOM 425 OG1 THR A 28 1.924 11.650 10.114 1.00 0.00 O ATOM 426 CG2 THR A 28 0.620 9.660 10.588 1.00 0.00 C ATOM 0 H THR A 28 1.435 10.988 7.992 1.00 0.00 H new ATOM 0 HA THR A 28 -1.152 10.822 9.093 1.00 0.00 H new ATOM 0 HB THR A 28 0.158 11.653 11.191 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.557 10.903 10.147 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.240 9.458 11.461 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.393 9.304 10.773 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.034 9.144 9.722 1.00 0.00 H new ATOM 434 N TRP A 29 -0.159 13.795 8.370 1.00 0.00 N ATOM 435 CA TRP A 29 -0.582 15.189 8.319 1.00 0.00 C ATOM 436 C TRP A 29 -1.725 15.368 7.324 1.00 0.00 C ATOM 437 O TRP A 29 -2.398 16.398 7.309 1.00 0.00 O ATOM 438 CB TRP A 29 0.592 16.114 7.954 1.00 0.00 C ATOM 439 CG TRP A 29 1.239 15.823 6.624 1.00 0.00 C ATOM 440 CD1 TRP A 29 2.413 15.158 6.410 1.00 0.00 C ATOM 441 CD2 TRP A 29 0.757 16.204 5.326 1.00 0.00 C ATOM 442 NE1 TRP A 29 2.686 15.100 5.064 1.00 0.00 N ATOM 443 CE2 TRP A 29 1.683 15.729 4.378 1.00 0.00 C ATOM 444 CE3 TRP A 29 -0.370 16.893 4.873 1.00 0.00 C ATOM 445 CZ2 TRP A 29 1.516 15.925 3.010 1.00 0.00 C ATOM 446 CZ3 TRP A 29 -0.536 17.086 3.517 1.00 0.00 C ATOM 447 CH2 TRP A 29 0.401 16.602 2.598 1.00 0.00 C ATOM 0 H TRP A 29 0.621 13.565 7.754 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.936 15.465 9.312 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.236 17.144 7.951 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.350 16.041 8.734 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.036 14.739 7.186 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.504 14.659 4.644 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.101 17.269 5.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.241 15.556 2.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.404 17.620 3.159 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.241 16.766 1.543 1.00 0.00 H new ATOM 458 N CYS A 30 -1.948 14.354 6.503 1.00 0.00 N ATOM 459 CA CYS A 30 -2.926 14.441 5.431 1.00 0.00 C ATOM 460 C CYS A 30 -4.296 13.973 5.915 1.00 0.00 C ATOM 461 O CYS A 30 -4.399 13.104 6.783 1.00 0.00 O ATOM 462 CB CYS A 30 -2.455 13.606 4.239 1.00 0.00 C ATOM 463 SG CYS A 30 -3.574 13.614 2.819 1.00 0.00 S ATOM 0 H CYS A 30 -1.463 13.458 6.559 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.021 15.481 5.117 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.480 13.974 3.918 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.315 12.576 4.567 1.00 0.00 H new ATOM 0 HG CYS A 30 -4.549 12.781 3.030 1.00 0.00 H new ATOM 469 N GLY A 31 -5.341 14.564 5.347 1.00 0.00 N ATOM 470 CA GLY A 31 -6.702 14.270 5.761 1.00 0.00 C ATOM 471 C GLY A 31 -7.263 12.990 5.158 1.00 0.00 C ATOM 472 O GLY A 31 -7.584 12.061 5.892 1.00 0.00 O ATOM 0 H GLY A 31 -5.268 15.251 4.597 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.733 14.193 6.848 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.345 15.105 5.482 1.00 0.00 H new ATOM 476 N PRO A 32 -7.395 12.908 3.815 1.00 0.00 N ATOM 477 CA PRO A 32 -8.004 11.745 3.138 1.00 0.00 C ATOM 478 C PRO A 32 -7.272 10.424 3.395 1.00 0.00 C ATOM 479 O PRO A 32 -7.753 9.358 3.014 1.00 0.00 O ATOM 480 CB PRO A 32 -7.923 12.107 1.651 1.00 0.00 C ATOM 481 CG PRO A 32 -7.776 13.586 1.620 1.00 0.00 C ATOM 482 CD PRO A 32 -6.992 13.945 2.849 1.00 0.00 C ATOM 0 HA PRO A 32 -9.015 11.572 3.507 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.076 11.617 1.171 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.819 11.789 1.118 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.257 13.909 0.717 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.750 14.076 1.620 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.918 13.927 2.662 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.237 14.946 3.206 1.00 0.00 H new ATOM 490 N CYS A 33 -6.118 10.494 4.048 1.00 0.00 N ATOM 491 CA CYS A 33 -5.337 9.300 4.361 1.00 0.00 C ATOM 492 C CYS A 33 -6.091 8.374 5.310 1.00 0.00 C ATOM 493 O CYS A 33 -5.898 7.149 5.299 1.00 0.00 O ATOM 494 CB CYS A 33 -3.998 9.703 4.964 1.00 0.00 C ATOM 495 SG CYS A 33 -2.864 10.442 3.766 1.00 0.00 S ATOM 0 H CYS A 33 -5.700 11.366 4.372 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.164 8.752 3.434 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.171 10.412 5.774 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.527 8.824 5.405 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.371 11.551 3.315 1.00 0.00 H new ATOM 501 N LYS A 34 -6.975 8.954 6.107 1.00 0.00 N ATOM 502 CA LYS A 34 -7.798 8.178 7.016 1.00 0.00 C ATOM 503 C LYS A 34 -8.705 7.228 6.246 1.00 0.00 C ATOM 504 O LYS A 34 -9.226 6.277 6.819 1.00 0.00 O ATOM 505 CB LYS A 34 -8.632 9.101 7.907 1.00 0.00 C ATOM 506 CG LYS A 34 -9.536 10.045 7.134 1.00 0.00 C ATOM 507 CD LYS A 34 -10.250 11.015 8.056 1.00 0.00 C ATOM 508 CE LYS A 34 -10.972 12.096 7.269 1.00 0.00 C ATOM 509 NZ LYS A 34 -11.645 13.076 8.159 1.00 0.00 N ATOM 0 H LYS A 34 -7.140 9.960 6.141 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.137 7.586 7.649 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.243 8.492 8.574 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.962 9.688 8.535 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.945 10.602 6.407 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.271 9.468 6.573 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.966 10.473 8.674 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.529 11.475 8.732 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.259 12.617 6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.711 11.635 6.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.125 13.796 7.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.344 12.584 8.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.938 13.535 8.767 1.00 0.00 H new ATOM 523 N MET A 35 -8.868 7.457 4.939 1.00 0.00 N ATOM 524 CA MET A 35 -9.703 6.581 4.132 1.00 0.00 C ATOM 525 C MET A 35 -8.941 5.310 3.829 1.00 0.00 C ATOM 526 O MET A 35 -9.521 4.245 3.626 1.00 0.00 O ATOM 527 CB MET A 35 -10.116 7.240 2.821 1.00 0.00 C ATOM 528 CG MET A 35 -11.260 6.507 2.144 1.00 0.00 C ATOM 529 SD MET A 35 -11.790 7.278 0.607 1.00 0.00 S ATOM 530 CE MET A 35 -12.898 6.009 0.001 1.00 0.00 C ATOM 0 H MET A 35 -8.438 8.229 4.430 1.00 0.00 H new ATOM 0 HA MET A 35 -10.608 6.363 4.699 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.411 8.272 3.013 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.259 7.273 2.148 1.00 0.00 H new ATOM 0 HG2 MET A 35 -10.955 5.480 1.941 1.00 0.00 H new ATOM 0 HG3 MET A 35 -12.107 6.458 2.829 1.00 0.00 H new ATOM 0 HE1 MET A 35 -13.085 6.166 -1.061 1.00 0.00 H new ATOM 0 HE2 MET A 35 -12.444 5.029 0.149 1.00 0.00 H new ATOM 0 HE3 MET A 35 -13.841 6.058 0.546 1.00 0.00 H new ATOM 540 N ILE A 36 -7.625 5.432 3.813 1.00 0.00 N ATOM 541 CA ILE A 36 -6.761 4.296 3.589 1.00 0.00 C ATOM 542 C ILE A 36 -6.698 3.449 4.838 1.00 0.00 C ATOM 543 O ILE A 36 -6.439 2.246 4.779 1.00 0.00 O ATOM 544 CB ILE A 36 -5.358 4.752 3.129 1.00 0.00 C ATOM 545 CG1 ILE A 36 -5.287 4.683 1.609 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.242 3.939 3.766 1.00 0.00 C ATOM 547 CD1 ILE A 36 -6.390 5.467 0.939 1.00 0.00 C ATOM 0 H ILE A 36 -7.133 6.314 3.954 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.174 3.685 2.786 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.208 5.780 3.459 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.322 5.065 1.277 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.344 3.641 1.293 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.278 4.301 3.408 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.289 4.043 4.850 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.358 2.889 3.497 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.291 5.383 -0.143 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.357 5.070 1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.319 6.515 1.229 1.00 0.00 H new ATOM 559 N ALA A 37 -6.976 4.079 5.968 1.00 0.00 N ATOM 560 CA ALA A 37 -7.111 3.345 7.210 1.00 0.00 C ATOM 561 C ALA A 37 -8.150 2.210 7.079 1.00 0.00 C ATOM 562 O ALA A 37 -7.754 1.042 7.085 1.00 0.00 O ATOM 563 CB ALA A 37 -7.423 4.284 8.373 1.00 0.00 C ATOM 0 H ALA A 37 -7.111 5.087 6.049 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.154 2.873 7.430 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.519 3.706 9.292 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.616 5.008 8.483 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.357 4.809 8.176 1.00 0.00 H new ATOM 569 N PRO A 38 -9.472 2.485 6.890 1.00 0.00 N ATOM 570 CA PRO A 38 -10.470 1.413 6.895 1.00 0.00 C ATOM 571 C PRO A 38 -10.606 0.672 5.562 1.00 0.00 C ATOM 572 O PRO A 38 -10.852 -0.526 5.556 1.00 0.00 O ATOM 573 CB PRO A 38 -11.759 2.153 7.221 1.00 0.00 C ATOM 574 CG PRO A 38 -11.584 3.476 6.575 1.00 0.00 C ATOM 575 CD PRO A 38 -10.112 3.787 6.661 1.00 0.00 C ATOM 0 HA PRO A 38 -10.198 0.628 7.600 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.631 1.629 6.829 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.903 2.250 8.297 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.918 3.451 5.538 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.175 4.239 7.082 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.750 4.251 5.743 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.900 4.482 7.474 1.00 0.00 H new ATOM 583 N MET A 39 -10.435 1.370 4.436 1.00 0.00 N ATOM 584 CA MET A 39 -10.654 0.757 3.125 1.00 0.00 C ATOM 585 C MET A 39 -9.612 -0.321 2.872 1.00 0.00 C ATOM 586 O MET A 39 -9.904 -1.380 2.315 1.00 0.00 O ATOM 587 CB MET A 39 -10.623 1.846 2.032 1.00 0.00 C ATOM 588 CG MET A 39 -10.562 1.337 0.596 1.00 0.00 C ATOM 589 SD MET A 39 -8.886 0.924 0.066 1.00 0.00 S ATOM 590 CE MET A 39 -7.953 2.260 0.813 1.00 0.00 C ATOM 0 H MET A 39 -10.149 2.349 4.406 1.00 0.00 H new ATOM 0 HA MET A 39 -11.634 0.281 3.101 1.00 0.00 H new ATOM 0 HB2 MET A 39 -11.511 2.469 2.140 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.760 2.488 2.208 1.00 0.00 H new ATOM 0 HG2 MET A 39 -11.195 0.455 0.502 1.00 0.00 H new ATOM 0 HG3 MET A 39 -10.972 2.096 -0.071 1.00 0.00 H new ATOM 0 HE1 MET A 39 -7.058 2.454 0.222 1.00 0.00 H new ATOM 0 HE2 MET A 39 -8.568 3.159 0.846 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.665 1.980 1.826 1.00 0.00 H new ATOM 600 N ILE A 40 -8.406 -0.059 3.332 1.00 0.00 N ATOM 601 CA ILE A 40 -7.312 -0.982 3.150 1.00 0.00 C ATOM 602 C ILE A 40 -7.358 -2.095 4.187 1.00 0.00 C ATOM 603 O ILE A 40 -7.014 -3.242 3.901 1.00 0.00 O ATOM 604 CB ILE A 40 -5.976 -0.222 3.170 1.00 0.00 C ATOM 605 CG1 ILE A 40 -5.584 0.125 1.741 1.00 0.00 C ATOM 606 CG2 ILE A 40 -4.874 -1.002 3.877 1.00 0.00 C ATOM 607 CD1 ILE A 40 -4.354 0.984 1.630 1.00 0.00 C ATOM 0 H ILE A 40 -8.161 0.792 3.838 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.408 -1.460 2.175 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.107 0.695 3.745 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.419 -0.799 1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.417 0.640 1.262 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.951 -0.422 3.864 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.168 -1.192 4.909 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.713 -1.951 3.365 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.144 1.185 0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.519 1.926 2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.506 0.465 2.077 1.00 0.00 H new ATOM 619 N GLU A 41 -7.806 -1.777 5.385 1.00 0.00 N ATOM 620 CA GLU A 41 -8.053 -2.821 6.364 1.00 0.00 C ATOM 621 C GLU A 41 -9.207 -3.705 5.901 1.00 0.00 C ATOM 622 O GLU A 41 -9.288 -4.881 6.254 1.00 0.00 O ATOM 623 CB GLU A 41 -8.354 -2.223 7.737 1.00 0.00 C ATOM 624 CG GLU A 41 -7.126 -1.663 8.432 1.00 0.00 C ATOM 625 CD GLU A 41 -7.457 -0.969 9.733 1.00 0.00 C ATOM 626 OE1 GLU A 41 -7.860 -1.655 10.693 1.00 0.00 O ATOM 627 OE2 GLU A 41 -7.299 0.266 9.806 1.00 0.00 O ATOM 0 H GLU A 41 -8.003 -0.828 5.701 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.154 -3.430 6.454 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.093 -1.430 7.626 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.802 -2.990 8.369 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.422 -2.473 8.626 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.626 -0.959 7.766 1.00 0.00 H new ATOM 634 N LYS A 42 -10.075 -3.135 5.075 1.00 0.00 N ATOM 635 CA LYS A 42 -11.255 -3.828 4.596 1.00 0.00 C ATOM 636 C LYS A 42 -10.917 -4.809 3.469 1.00 0.00 C ATOM 637 O LYS A 42 -11.552 -5.868 3.355 1.00 0.00 O ATOM 638 CB LYS A 42 -12.314 -2.814 4.138 1.00 0.00 C ATOM 639 CG LYS A 42 -13.654 -3.439 3.781 1.00 0.00 C ATOM 640 CD LYS A 42 -14.247 -4.190 4.964 1.00 0.00 C ATOM 641 CE LYS A 42 -15.615 -4.761 4.643 1.00 0.00 C ATOM 642 NZ LYS A 42 -16.120 -5.627 5.739 1.00 0.00 N ATOM 0 H LYS A 42 -9.978 -2.183 4.722 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.660 -4.412 5.422 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.466 -2.080 4.930 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.934 -2.274 3.271 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.346 -2.661 3.458 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.527 -4.122 2.941 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.575 -4.998 5.255 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.326 -3.518 5.818 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.318 -3.946 4.470 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.561 -5.337 3.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.057 -5.999 5.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.462 -6.418 5.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.195 -5.071 6.614 1.00 0.00 H new ATOM 656 N PHE A 43 -9.928 -4.481 2.629 1.00 0.00 N ATOM 657 CA PHE A 43 -9.557 -5.393 1.548 1.00 0.00 C ATOM 658 C PHE A 43 -9.119 -6.743 2.133 1.00 0.00 C ATOM 659 O PHE A 43 -9.617 -7.786 1.717 1.00 0.00 O ATOM 660 CB PHE A 43 -8.502 -4.789 0.562 1.00 0.00 C ATOM 661 CG PHE A 43 -7.049 -4.734 0.996 1.00 0.00 C ATOM 662 CD1 PHE A 43 -6.327 -5.885 1.279 1.00 0.00 C ATOM 663 CD2 PHE A 43 -6.398 -3.517 1.084 1.00 0.00 C ATOM 664 CE1 PHE A 43 -5.000 -5.821 1.653 1.00 0.00 C ATOM 665 CE2 PHE A 43 -5.067 -3.449 1.453 1.00 0.00 C ATOM 666 CZ PHE A 43 -4.370 -4.601 1.741 1.00 0.00 C ATOM 0 H PHE A 43 -9.387 -3.618 2.675 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.442 -5.556 0.933 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.549 -5.362 -0.364 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.815 -3.772 0.325 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.812 -6.847 1.205 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.936 -2.608 0.862 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.457 -6.727 1.876 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.573 -2.490 1.515 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.332 -4.547 2.035 1.00 0.00 H new ATOM 676 N SER A 44 -8.246 -6.730 3.144 1.00 0.00 N ATOM 677 CA SER A 44 -7.733 -7.974 3.695 1.00 0.00 C ATOM 678 C SER A 44 -8.677 -8.533 4.750 1.00 0.00 C ATOM 679 O SER A 44 -8.569 -9.695 5.138 1.00 0.00 O ATOM 680 CB SER A 44 -6.340 -7.781 4.272 1.00 0.00 C ATOM 681 OG SER A 44 -6.354 -6.897 5.383 1.00 0.00 O ATOM 0 H SER A 44 -7.888 -5.884 3.587 1.00 0.00 H new ATOM 0 HA SER A 44 -7.667 -8.696 2.881 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.935 -8.746 4.578 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.677 -7.388 3.501 1.00 0.00 H new ATOM 0 HG SER A 44 -5.444 -6.796 5.732 1.00 0.00 H new ATOM 687 N GLU A 45 -9.595 -7.699 5.230 1.00 0.00 N ATOM 688 CA GLU A 45 -10.646 -8.171 6.116 1.00 0.00 C ATOM 689 C GLU A 45 -11.483 -9.206 5.377 1.00 0.00 C ATOM 690 O GLU A 45 -12.027 -10.135 5.973 1.00 0.00 O ATOM 691 CB GLU A 45 -11.518 -7.014 6.597 1.00 0.00 C ATOM 692 CG GLU A 45 -12.555 -7.414 7.635 1.00 0.00 C ATOM 693 CD GLU A 45 -11.935 -8.017 8.880 1.00 0.00 C ATOM 694 OE1 GLU A 45 -11.402 -7.258 9.714 1.00 0.00 O ATOM 695 OE2 GLU A 45 -11.985 -9.256 9.034 1.00 0.00 O ATOM 0 H GLU A 45 -9.630 -6.701 5.021 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.196 -8.627 6.998 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.877 -6.239 7.018 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.027 -6.575 5.739 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.141 -6.538 7.914 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.246 -8.132 7.194 1.00 0.00 H new ATOM 702 N GLN A 46 -11.558 -9.052 4.061 1.00 0.00 N ATOM 703 CA GLN A 46 -12.197 -10.022 3.226 1.00 0.00 C ATOM 704 C GLN A 46 -11.172 -11.074 2.798 1.00 0.00 C ATOM 705 O GLN A 46 -11.401 -12.272 2.955 1.00 0.00 O ATOM 706 CB GLN A 46 -12.817 -9.310 2.022 1.00 0.00 C ATOM 707 CG GLN A 46 -12.825 -10.142 0.767 1.00 0.00 C ATOM 708 CD GLN A 46 -13.744 -11.345 0.838 1.00 0.00 C ATOM 709 OE1 GLN A 46 -14.768 -11.326 1.525 1.00 0.00 O ATOM 710 NE2 GLN A 46 -13.386 -12.397 0.123 1.00 0.00 N ATOM 0 H GLN A 46 -11.175 -8.251 3.559 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.994 -10.532 3.767 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -13.841 -9.026 2.266 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -12.267 -8.388 1.833 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.127 -9.515 -0.072 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.810 -10.483 0.561 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.530 -12.370 -0.431 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.965 -13.236 0.126 1.00 0.00 H new ATOM 719 N TYR A 47 -10.029 -10.619 2.291 1.00 0.00 N ATOM 720 CA TYR A 47 -8.990 -11.529 1.829 1.00 0.00 C ATOM 721 C TYR A 47 -7.637 -11.272 2.499 1.00 0.00 C ATOM 722 O TYR A 47 -6.831 -10.477 2.025 1.00 0.00 O ATOM 723 CB TYR A 47 -8.856 -11.484 0.300 1.00 0.00 C ATOM 724 CG TYR A 47 -8.862 -10.098 -0.310 1.00 0.00 C ATOM 725 CD1 TYR A 47 -7.740 -9.275 -0.270 1.00 0.00 C ATOM 726 CD2 TYR A 47 -9.998 -9.620 -0.936 1.00 0.00 C ATOM 727 CE1 TYR A 47 -7.765 -8.014 -0.831 1.00 0.00 C ATOM 728 CE2 TYR A 47 -10.029 -8.364 -1.499 1.00 0.00 C ATOM 729 CZ TYR A 47 -8.913 -7.568 -1.440 1.00 0.00 C ATOM 730 OH TYR A 47 -8.952 -6.310 -1.975 1.00 0.00 O ATOM 0 H TYR A 47 -9.801 -9.630 2.191 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.304 -12.531 2.123 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.929 -11.983 0.018 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.673 -12.059 -0.137 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.837 -9.628 0.207 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.878 -10.244 -0.984 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.889 -7.383 -0.792 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.926 -8.008 -1.984 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.979 -6.371 -2.953 1.00 0.00 H new ATOM 740 N PRO A 48 -7.356 -11.946 3.620 1.00 0.00 N ATOM 741 CA PRO A 48 -6.036 -11.888 4.252 1.00 0.00 C ATOM 742 C PRO A 48 -4.986 -12.614 3.409 1.00 0.00 C ATOM 743 O PRO A 48 -3.817 -12.698 3.781 1.00 0.00 O ATOM 744 CB PRO A 48 -6.247 -12.578 5.595 1.00 0.00 C ATOM 745 CG PRO A 48 -7.388 -13.507 5.362 1.00 0.00 C ATOM 746 CD PRO A 48 -8.287 -12.810 4.374 1.00 0.00 C ATOM 0 HA PRO A 48 -5.664 -10.869 4.359 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -5.353 -13.118 5.909 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -6.476 -11.857 6.380 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.041 -14.462 4.969 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.917 -13.718 6.291 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -8.795 -13.520 3.721 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -9.060 -12.228 4.875 1.00 0.00 H new ATOM 754 N GLN A 49 -5.434 -13.141 2.270 1.00 0.00 N ATOM 755 CA GLN A 49 -4.571 -13.828 1.317 1.00 0.00 C ATOM 756 C GLN A 49 -3.521 -12.878 0.750 1.00 0.00 C ATOM 757 O GLN A 49 -2.452 -13.303 0.310 1.00 0.00 O ATOM 758 CB GLN A 49 -5.422 -14.375 0.168 1.00 0.00 C ATOM 759 CG GLN A 49 -4.614 -14.852 -1.024 1.00 0.00 C ATOM 760 CD GLN A 49 -5.354 -14.673 -2.330 1.00 0.00 C ATOM 761 OE1 GLN A 49 -6.059 -15.570 -2.793 1.00 0.00 O ATOM 762 NE2 GLN A 49 -5.212 -13.496 -2.926 1.00 0.00 N ATOM 0 H GLN A 49 -6.412 -13.102 1.983 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.063 -14.642 1.835 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.027 -15.203 0.539 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.112 -13.598 -0.161 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.673 -14.304 -1.065 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.364 -15.905 -0.892 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.618 -12.781 -2.507 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.697 -13.307 -3.803 1.00 0.00 H new ATOM 771 N ALA A 50 -3.811 -11.594 0.789 1.00 0.00 N ATOM 772 CA ALA A 50 -2.876 -10.601 0.298 1.00 0.00 C ATOM 773 C ALA A 50 -2.155 -9.981 1.472 1.00 0.00 C ATOM 774 O ALA A 50 -2.674 -9.984 2.589 1.00 0.00 O ATOM 775 CB ALA A 50 -3.599 -9.538 -0.503 1.00 0.00 C ATOM 0 H ALA A 50 -4.684 -11.213 1.154 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.152 -11.080 -0.361 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.880 -8.802 -0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.101 -10.001 -1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.337 -9.045 0.130 1.00 0.00 H new ATOM 781 N ASP A 51 -0.969 -9.453 1.236 1.00 0.00 N ATOM 782 CA ASP A 51 -0.176 -8.932 2.327 1.00 0.00 C ATOM 783 C ASP A 51 -0.457 -7.467 2.548 1.00 0.00 C ATOM 784 O ASP A 51 -0.382 -6.645 1.631 1.00 0.00 O ATOM 785 CB ASP A 51 1.316 -9.178 2.115 1.00 0.00 C ATOM 786 CG ASP A 51 1.734 -10.572 2.547 1.00 0.00 C ATOM 787 OD1 ASP A 51 0.961 -11.539 2.335 1.00 0.00 O ATOM 788 OD2 ASP A 51 2.841 -10.714 3.103 1.00 0.00 O ATOM 0 H ASP A 51 -0.541 -9.375 0.314 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.468 -9.474 3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.560 -9.037 1.062 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.888 -8.439 2.676 1.00 0.00 H new ATOM 793 N PHE A 52 -0.786 -7.165 3.787 1.00 0.00 N ATOM 794 CA PHE A 52 -1.253 -5.854 4.177 1.00 0.00 C ATOM 795 C PHE A 52 -0.165 -5.071 4.890 1.00 0.00 C ATOM 796 O PHE A 52 0.250 -5.430 5.994 1.00 0.00 O ATOM 797 CB PHE A 52 -2.466 -6.013 5.100 1.00 0.00 C ATOM 798 CG PHE A 52 -2.458 -7.291 5.903 1.00 0.00 C ATOM 799 CD1 PHE A 52 -1.720 -7.393 7.073 1.00 0.00 C ATOM 800 CD2 PHE A 52 -3.186 -8.393 5.480 1.00 0.00 C ATOM 801 CE1 PHE A 52 -1.712 -8.566 7.803 1.00 0.00 C ATOM 802 CE2 PHE A 52 -3.179 -9.568 6.205 1.00 0.00 C ATOM 803 CZ PHE A 52 -2.441 -9.654 7.368 1.00 0.00 C ATOM 0 H PHE A 52 -0.736 -7.831 4.558 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.531 -5.300 3.280 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.504 -5.165 5.784 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.375 -5.978 4.499 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.145 -6.546 7.417 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.766 -8.331 4.571 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.135 -8.631 8.714 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.750 -10.418 5.863 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.434 -10.572 7.937 1.00 0.00 H new ATOM 813 N TYR A 53 0.291 -3.991 4.277 1.00 0.00 N ATOM 814 CA TYR A 53 1.275 -3.138 4.926 1.00 0.00 C ATOM 815 C TYR A 53 0.935 -1.656 4.762 1.00 0.00 C ATOM 816 O TYR A 53 0.354 -1.250 3.765 1.00 0.00 O ATOM 817 CB TYR A 53 2.679 -3.443 4.401 1.00 0.00 C ATOM 818 CG TYR A 53 3.138 -4.862 4.671 1.00 0.00 C ATOM 819 CD1 TYR A 53 3.600 -5.240 5.925 1.00 0.00 C ATOM 820 CD2 TYR A 53 3.113 -5.822 3.665 1.00 0.00 C ATOM 821 CE1 TYR A 53 4.023 -6.532 6.171 1.00 0.00 C ATOM 822 CE2 TYR A 53 3.534 -7.117 3.903 1.00 0.00 C ATOM 823 CZ TYR A 53 3.989 -7.467 5.157 1.00 0.00 C ATOM 824 OH TYR A 53 4.406 -8.757 5.401 1.00 0.00 O ATOM 0 H TYR A 53 0.002 -3.687 3.347 1.00 0.00 H new ATOM 0 HA TYR A 53 1.252 -3.356 5.994 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.702 -3.262 3.326 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.386 -2.749 4.857 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.629 -4.511 6.722 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.759 -5.551 2.681 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.379 -6.809 7.152 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.507 -7.851 3.111 1.00 0.00 H new ATOM 0 HH TYR A 53 4.318 -9.290 4.583 1.00 0.00 H new ATOM 834 N LYS A 54 1.293 -0.875 5.775 1.00 0.00 N ATOM 835 CA LYS A 54 0.992 0.558 5.847 1.00 0.00 C ATOM 836 C LYS A 54 2.246 1.335 6.247 1.00 0.00 C ATOM 837 O LYS A 54 3.113 0.792 6.938 1.00 0.00 O ATOM 838 CB LYS A 54 -0.089 0.800 6.909 1.00 0.00 C ATOM 839 CG LYS A 54 -1.528 0.745 6.429 1.00 0.00 C ATOM 840 CD LYS A 54 -2.504 0.866 7.591 1.00 0.00 C ATOM 841 CE LYS A 54 -3.952 0.824 7.120 1.00 0.00 C ATOM 842 NZ LYS A 54 -4.906 0.903 8.258 1.00 0.00 N ATOM 0 H LYS A 54 1.809 -1.221 6.584 1.00 0.00 H new ATOM 0 HA LYS A 54 0.645 0.894 4.870 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.036 0.060 7.700 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.085 1.778 7.357 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.707 1.550 5.716 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.702 -0.193 5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.328 0.056 8.299 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.322 1.800 8.123 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.135 1.651 6.434 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.126 -0.097 6.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.879 0.940 7.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.795 0.065 8.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.712 1.760 8.815 1.00 0.00 H new ATOM 856 N LEU A 55 2.344 2.596 5.828 1.00 0.00 N ATOM 857 CA LEU A 55 3.449 3.451 6.240 1.00 0.00 C ATOM 858 C LEU A 55 3.084 4.927 6.069 1.00 0.00 C ATOM 859 O LEU A 55 2.299 5.286 5.188 1.00 0.00 O ATOM 860 CB LEU A 55 4.713 3.094 5.440 1.00 0.00 C ATOM 861 CG LEU A 55 5.939 3.981 5.685 1.00 0.00 C ATOM 862 CD1 LEU A 55 7.220 3.200 5.448 1.00 0.00 C ATOM 863 CD2 LEU A 55 5.893 5.177 4.762 1.00 0.00 C ATOM 0 H LEU A 55 1.672 3.044 5.205 1.00 0.00 H new ATOM 0 HA LEU A 55 3.652 3.283 7.298 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.984 2.063 5.669 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.469 3.131 4.378 1.00 0.00 H new ATOM 0 HG LEU A 55 5.924 4.318 6.721 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.079 3.847 5.627 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.259 2.349 6.128 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.243 2.843 4.418 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.766 5.806 4.938 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.893 4.837 3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.987 5.751 4.955 1.00 0.00 H new ATOM 875 N ASP A 56 3.659 5.770 6.923 1.00 0.00 N ATOM 876 CA ASP A 56 3.459 7.216 6.855 1.00 0.00 C ATOM 877 C ASP A 56 4.658 7.904 6.199 1.00 0.00 C ATOM 878 O ASP A 56 5.786 7.822 6.696 1.00 0.00 O ATOM 879 CB ASP A 56 3.235 7.776 8.262 1.00 0.00 C ATOM 880 CG ASP A 56 3.260 9.291 8.313 1.00 0.00 C ATOM 881 OD1 ASP A 56 2.794 9.939 7.356 1.00 0.00 O ATOM 882 OD2 ASP A 56 3.728 9.843 9.329 1.00 0.00 O ATOM 0 H ASP A 56 4.275 5.472 7.679 1.00 0.00 H new ATOM 0 HA ASP A 56 2.578 7.414 6.244 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.275 7.422 8.638 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.003 7.384 8.929 1.00 0.00 H new ATOM 887 N VAL A 57 4.406 8.589 5.086 1.00 0.00 N ATOM 888 CA VAL A 57 5.452 9.260 4.325 1.00 0.00 C ATOM 889 C VAL A 57 6.001 10.467 5.086 1.00 0.00 C ATOM 890 O VAL A 57 7.121 10.917 4.834 1.00 0.00 O ATOM 891 CB VAL A 57 4.928 9.705 2.950 1.00 0.00 C ATOM 892 CG1 VAL A 57 3.732 10.588 3.132 1.00 0.00 C ATOM 893 CG2 VAL A 57 6.002 10.417 2.144 1.00 0.00 C ATOM 0 H VAL A 57 3.472 8.693 4.689 1.00 0.00 H new ATOM 0 HA VAL A 57 6.261 8.544 4.180 1.00 0.00 H new ATOM 0 HB VAL A 57 4.640 8.816 2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.361 10.903 2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.951 10.039 3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.013 11.466 3.714 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.594 10.716 1.179 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.338 11.301 2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.846 9.745 1.989 1.00 0.00 H new ATOM 903 N ASP A 58 5.219 10.983 6.031 1.00 0.00 N ATOM 904 CA ASP A 58 5.661 12.114 6.835 1.00 0.00 C ATOM 905 C ASP A 58 6.897 11.727 7.630 1.00 0.00 C ATOM 906 O ASP A 58 7.818 12.527 7.809 1.00 0.00 O ATOM 907 CB ASP A 58 4.555 12.587 7.776 1.00 0.00 C ATOM 908 CG ASP A 58 4.983 13.778 8.611 1.00 0.00 C ATOM 909 OD1 ASP A 58 5.157 14.880 8.046 1.00 0.00 O ATOM 910 OD2 ASP A 58 5.138 13.622 9.840 1.00 0.00 O ATOM 0 H ASP A 58 4.286 10.639 6.256 1.00 0.00 H new ATOM 0 HA ASP A 58 5.906 12.938 6.165 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.673 12.853 7.193 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.267 11.768 8.435 1.00 0.00 H new ATOM 915 N GLU A 59 6.915 10.485 8.094 1.00 0.00 N ATOM 916 CA GLU A 59 8.083 9.953 8.776 1.00 0.00 C ATOM 917 C GLU A 59 9.099 9.392 7.783 1.00 0.00 C ATOM 918 O GLU A 59 10.299 9.624 7.923 1.00 0.00 O ATOM 919 CB GLU A 59 7.687 8.863 9.772 1.00 0.00 C ATOM 920 CG GLU A 59 6.920 9.377 10.976 1.00 0.00 C ATOM 921 CD GLU A 59 6.707 8.305 12.026 1.00 0.00 C ATOM 922 OE1 GLU A 59 7.659 8.011 12.778 1.00 0.00 O ATOM 923 OE2 GLU A 59 5.586 7.757 12.114 1.00 0.00 O ATOM 0 H GLU A 59 6.137 9.831 8.010 1.00 0.00 H new ATOM 0 HA GLU A 59 8.543 10.780 9.317 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.079 8.118 9.258 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.588 8.356 10.117 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.462 10.213 11.419 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.953 9.760 10.651 1.00 0.00 H new ATOM 930 N LEU A 60 8.629 8.661 6.775 1.00 0.00 N ATOM 931 CA LEU A 60 9.535 8.030 5.819 1.00 0.00 C ATOM 932 C LEU A 60 9.373 8.604 4.407 1.00 0.00 C ATOM 933 O LEU A 60 8.735 7.996 3.538 1.00 0.00 O ATOM 934 CB LEU A 60 9.320 6.514 5.788 1.00 0.00 C ATOM 935 CG LEU A 60 9.726 5.733 7.048 1.00 0.00 C ATOM 936 CD1 LEU A 60 11.086 6.188 7.560 1.00 0.00 C ATOM 937 CD2 LEU A 60 8.665 5.851 8.132 1.00 0.00 C ATOM 0 H LEU A 60 7.638 8.492 6.600 1.00 0.00 H new ATOM 0 HA LEU A 60 10.549 8.245 6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.264 6.324 5.596 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.876 6.109 4.943 1.00 0.00 H new ATOM 0 HG LEU A 60 9.807 4.681 6.776 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.348 5.619 8.452 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.839 6.022 6.789 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.046 7.249 7.806 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.979 5.289 9.011 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.533 6.899 8.400 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.721 5.450 7.763 1.00 0.00 H new ATOM 949 N GLY A 61 9.989 9.758 4.176 1.00 0.00 N ATOM 950 CA GLY A 61 9.900 10.408 2.881 1.00 0.00 C ATOM 951 C GLY A 61 10.759 9.729 1.830 1.00 0.00 C ATOM 952 O GLY A 61 10.341 9.564 0.685 1.00 0.00 O ATOM 0 H GLY A 61 10.551 10.257 4.866 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.861 10.411 2.550 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.207 11.449 2.979 1.00 0.00 H new ATOM 956 N ASP A 62 11.959 9.316 2.224 1.00 0.00 N ATOM 957 CA ASP A 62 12.884 8.646 1.308 1.00 0.00 C ATOM 958 C ASP A 62 12.349 7.290 0.905 1.00 0.00 C ATOM 959 O ASP A 62 12.684 6.764 -0.155 1.00 0.00 O ATOM 960 CB ASP A 62 14.264 8.490 1.946 1.00 0.00 C ATOM 961 CG ASP A 62 14.935 9.818 2.223 1.00 0.00 C ATOM 962 OD1 ASP A 62 14.645 10.428 3.272 1.00 0.00 O ATOM 963 OD2 ASP A 62 15.762 10.257 1.398 1.00 0.00 O ATOM 0 H ASP A 62 12.317 9.432 3.172 1.00 0.00 H new ATOM 0 HA ASP A 62 12.979 9.267 0.417 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.167 7.935 2.879 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.899 7.898 1.287 1.00 0.00 H new ATOM 968 N VAL A 63 11.508 6.732 1.752 1.00 0.00 N ATOM 969 CA VAL A 63 10.837 5.488 1.438 1.00 0.00 C ATOM 970 C VAL A 63 9.853 5.719 0.308 1.00 0.00 C ATOM 971 O VAL A 63 9.881 5.011 -0.687 1.00 0.00 O ATOM 972 CB VAL A 63 10.103 4.919 2.655 1.00 0.00 C ATOM 973 CG1 VAL A 63 9.338 3.655 2.291 1.00 0.00 C ATOM 974 CG2 VAL A 63 11.085 4.635 3.778 1.00 0.00 C ATOM 0 H VAL A 63 11.273 7.122 2.665 1.00 0.00 H new ATOM 0 HA VAL A 63 11.592 4.762 1.136 1.00 0.00 H new ATOM 0 HB VAL A 63 9.384 5.664 2.995 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.826 3.272 3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.605 3.883 1.517 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.034 2.902 1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.549 4.231 4.637 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.826 3.911 3.439 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.586 5.559 4.065 1.00 0.00 H new ATOM 984 N ALA A 64 8.997 6.730 0.464 1.00 0.00 N ATOM 985 CA ALA A 64 8.082 7.137 -0.596 1.00 0.00 C ATOM 986 C ALA A 64 8.794 7.250 -1.938 1.00 0.00 C ATOM 987 O ALA A 64 8.293 6.787 -2.964 1.00 0.00 O ATOM 988 CB ALA A 64 7.449 8.466 -0.243 1.00 0.00 C ATOM 0 H ALA A 64 8.921 7.282 1.318 1.00 0.00 H new ATOM 0 HA ALA A 64 7.312 6.371 -0.686 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.766 8.766 -1.038 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.897 8.369 0.692 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.227 9.221 -0.129 1.00 0.00 H new ATOM 994 N GLN A 65 9.983 7.835 -1.909 1.00 0.00 N ATOM 995 CA GLN A 65 10.751 8.080 -3.128 1.00 0.00 C ATOM 996 C GLN A 65 11.344 6.781 -3.667 1.00 0.00 C ATOM 997 O GLN A 65 11.618 6.652 -4.859 1.00 0.00 O ATOM 998 CB GLN A 65 11.856 9.101 -2.855 1.00 0.00 C ATOM 999 CG GLN A 65 11.333 10.426 -2.321 1.00 0.00 C ATOM 1000 CD GLN A 65 12.434 11.428 -2.024 1.00 0.00 C ATOM 1001 OE1 GLN A 65 13.605 10.938 -1.651 1.00 0.00 O flip ATOM 1002 NE2 GLN A 65 12.230 12.639 -2.119 1.00 0.00 N flip ATOM 0 H GLN A 65 10.440 8.151 -1.054 1.00 0.00 H new ATOM 0 HA GLN A 65 10.079 8.483 -3.885 1.00 0.00 H new ATOM 0 HB2 GLN A 65 12.560 8.681 -2.137 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.410 9.282 -3.776 1.00 0.00 H new ATOM 0 HG2 GLN A 65 10.645 10.857 -3.048 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.762 10.243 -1.411 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.314 12.981 -2.410 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.977 13.300 -1.907 1.00 0.00 H new ATOM 1011 N LYS A 66 11.541 5.821 -2.776 1.00 0.00 N ATOM 1012 CA LYS A 66 12.000 4.502 -3.146 1.00 0.00 C ATOM 1013 C LYS A 66 10.909 3.745 -3.923 1.00 0.00 C ATOM 1014 O LYS A 66 11.203 2.862 -4.733 1.00 0.00 O ATOM 1015 CB LYS A 66 12.413 3.757 -1.859 1.00 0.00 C ATOM 1016 CG LYS A 66 12.012 2.297 -1.803 1.00 0.00 C ATOM 1017 CD LYS A 66 12.872 1.426 -2.705 1.00 0.00 C ATOM 1018 CE LYS A 66 12.438 -0.026 -2.634 1.00 0.00 C ATOM 1019 NZ LYS A 66 13.165 -0.874 -3.613 1.00 0.00 N ATOM 0 H LYS A 66 11.385 5.941 -1.775 1.00 0.00 H new ATOM 0 HA LYS A 66 12.862 4.572 -3.810 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.495 3.825 -1.750 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.974 4.271 -1.004 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.090 1.940 -0.776 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.967 2.198 -2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.801 1.780 -3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.918 1.512 -2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.610 -0.407 -1.627 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.366 -0.093 -2.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.953 -1.875 -3.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.864 -0.627 -4.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.188 -0.714 -3.518 1.00 0.00 H new ATOM 1033 N ASN A 67 9.653 4.120 -3.701 1.00 0.00 N ATOM 1034 CA ASN A 67 8.532 3.360 -4.224 1.00 0.00 C ATOM 1035 C ASN A 67 7.843 4.089 -5.358 1.00 0.00 C ATOM 1036 O ASN A 67 7.025 3.500 -6.069 1.00 0.00 O ATOM 1037 CB ASN A 67 7.510 3.164 -3.130 1.00 0.00 C ATOM 1038 CG ASN A 67 8.116 2.801 -1.803 1.00 0.00 C ATOM 1039 OD1 ASN A 67 7.658 3.481 -0.776 1.00 0.00 O flip ATOM 1040 ND2 ASN A 67 9.009 1.965 -1.708 1.00 0.00 N flip ATOM 0 H ASN A 67 9.390 4.945 -3.162 1.00 0.00 H new ATOM 0 HA ASN A 67 8.923 2.410 -4.589 1.00 0.00 H new ATOM 0 HB2 ASN A 67 6.930 4.080 -3.017 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.814 2.380 -3.430 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.329 1.464 -2.537 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.431 1.771 -0.800 1.00 0.00 H new ATOM 1047 N GLU A 68 8.168 5.374 -5.495 1.00 0.00 N ATOM 1048 CA GLU A 68 7.556 6.252 -6.490 1.00 0.00 C ATOM 1049 C GLU A 68 6.177 6.743 -6.018 1.00 0.00 C ATOM 1050 O GLU A 68 5.269 6.977 -6.816 1.00 0.00 O ATOM 1051 CB GLU A 68 7.461 5.552 -7.852 1.00 0.00 C ATOM 1052 CG GLU A 68 7.030 6.453 -9.002 1.00 0.00 C ATOM 1053 CD GLU A 68 7.860 7.717 -9.098 1.00 0.00 C ATOM 1054 OE1 GLU A 68 8.945 7.680 -9.712 1.00 0.00 O ATOM 1055 OE2 GLU A 68 7.427 8.761 -8.566 1.00 0.00 O ATOM 0 H GLU A 68 8.868 5.837 -4.915 1.00 0.00 H new ATOM 0 HA GLU A 68 8.196 7.127 -6.609 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.432 5.120 -8.092 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.755 4.725 -7.772 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.107 5.901 -9.939 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.981 6.721 -8.875 1.00 0.00 H new ATOM 1062 N VAL A 69 6.014 6.886 -4.712 1.00 0.00 N ATOM 1063 CA VAL A 69 4.820 7.525 -4.178 1.00 0.00 C ATOM 1064 C VAL A 69 5.153 8.913 -3.638 1.00 0.00 C ATOM 1065 O VAL A 69 5.992 9.065 -2.755 1.00 0.00 O ATOM 1066 CB VAL A 69 4.092 6.667 -3.101 1.00 0.00 C ATOM 1067 CG1 VAL A 69 5.055 5.945 -2.174 1.00 0.00 C ATOM 1068 CG2 VAL A 69 3.140 7.529 -2.286 1.00 0.00 C ATOM 0 H VAL A 69 6.684 6.573 -4.009 1.00 0.00 H new ATOM 0 HA VAL A 69 4.121 7.623 -5.009 1.00 0.00 H new ATOM 0 HB VAL A 69 3.528 5.905 -3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.491 5.363 -1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.690 5.278 -2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.676 6.675 -1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.640 6.913 -1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.701 8.320 -1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.395 7.973 -2.947 1.00 0.00 H new ATOM 1078 N SER A 70 4.513 9.928 -4.199 1.00 0.00 N ATOM 1079 CA SER A 70 4.743 11.300 -3.773 1.00 0.00 C ATOM 1080 C SER A 70 3.474 11.893 -3.164 1.00 0.00 C ATOM 1081 O SER A 70 3.530 12.618 -2.172 1.00 0.00 O ATOM 1082 CB SER A 70 5.223 12.145 -4.957 1.00 0.00 C ATOM 1083 OG SER A 70 5.564 13.465 -4.556 1.00 0.00 O ATOM 0 H SER A 70 3.830 9.827 -4.950 1.00 0.00 H new ATOM 0 HA SER A 70 5.519 11.304 -3.007 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.089 11.669 -5.417 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.442 12.185 -5.716 1.00 0.00 H new ATOM 0 HG SER A 70 5.867 13.976 -5.336 1.00 0.00 H new ATOM 1089 N ALA A 71 2.330 11.581 -3.758 1.00 0.00 N ATOM 1090 CA ALA A 71 1.056 12.069 -3.252 1.00 0.00 C ATOM 1091 C ALA A 71 0.450 11.061 -2.285 1.00 0.00 C ATOM 1092 O ALA A 71 0.875 9.907 -2.234 1.00 0.00 O ATOM 1093 CB ALA A 71 0.102 12.352 -4.401 1.00 0.00 C ATOM 0 H ALA A 71 2.259 10.994 -4.589 1.00 0.00 H new ATOM 0 HA ALA A 71 1.228 13.001 -2.714 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.846 12.716 -4.005 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.536 13.107 -5.056 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.069 11.436 -4.966 1.00 0.00 H new ATOM 1099 N MET A 72 -0.536 11.496 -1.519 1.00 0.00 N ATOM 1100 CA MET A 72 -1.159 10.638 -0.523 1.00 0.00 C ATOM 1101 C MET A 72 -2.646 10.954 -0.385 1.00 0.00 C ATOM 1102 O MET A 72 -3.074 12.081 -0.632 1.00 0.00 O ATOM 1103 CB MET A 72 -0.463 10.797 0.837 1.00 0.00 C ATOM 1104 CG MET A 72 -0.508 12.211 1.404 1.00 0.00 C ATOM 1105 SD MET A 72 0.608 13.357 0.567 1.00 0.00 S ATOM 1106 CE MET A 72 2.197 12.616 0.936 1.00 0.00 C ATOM 0 H MET A 72 -0.923 12.438 -1.567 1.00 0.00 H new ATOM 0 HA MET A 72 -1.053 9.606 -0.857 1.00 0.00 H new ATOM 0 HB2 MET A 72 -0.927 10.117 1.551 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.578 10.491 0.737 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.527 12.591 1.332 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.254 12.178 2.464 1.00 0.00 H new ATOM 0 HE1 MET A 72 2.991 13.222 0.500 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.332 12.564 2.016 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.236 11.611 0.517 1.00 0.00 H new ATOM 1116 N PRO A 73 -3.458 9.956 0.000 1.00 0.00 N ATOM 1117 CA PRO A 73 -2.982 8.590 0.215 1.00 0.00 C ATOM 1118 C PRO A 73 -2.782 7.818 -1.093 1.00 0.00 C ATOM 1119 O PRO A 73 -3.474 8.055 -2.085 1.00 0.00 O ATOM 1120 CB PRO A 73 -4.086 7.960 1.056 1.00 0.00 C ATOM 1121 CG PRO A 73 -5.330 8.712 0.713 1.00 0.00 C ATOM 1122 CD PRO A 73 -4.901 10.095 0.285 1.00 0.00 C ATOM 0 HA PRO A 73 -2.003 8.572 0.693 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.194 6.899 0.830 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.861 8.038 2.120 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.876 8.212 -0.087 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.000 8.764 1.572 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.450 10.427 -0.596 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.083 10.829 1.070 1.00 0.00 H new ATOM 1130 N THR A 74 -1.832 6.897 -1.070 1.00 0.00 N ATOM 1131 CA THR A 74 -1.461 6.114 -2.239 1.00 0.00 C ATOM 1132 C THR A 74 -1.376 4.637 -1.894 1.00 0.00 C ATOM 1133 O THR A 74 -0.804 4.253 -0.879 1.00 0.00 O ATOM 1134 CB THR A 74 -0.102 6.589 -2.807 1.00 0.00 C ATOM 1135 OG1 THR A 74 -0.261 7.852 -3.464 1.00 0.00 O ATOM 1136 CG2 THR A 74 0.506 5.574 -3.773 1.00 0.00 C ATOM 0 H THR A 74 -1.293 6.670 -0.235 1.00 0.00 H new ATOM 0 HA THR A 74 -2.234 6.259 -2.994 1.00 0.00 H new ATOM 0 HB THR A 74 0.584 6.693 -1.966 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.200 8.548 -2.950 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.458 5.951 -4.145 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.668 4.629 -3.254 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.174 5.416 -4.610 1.00 0.00 H new ATOM 1144 N LEU A 75 -1.966 3.821 -2.736 1.00 0.00 N ATOM 1145 CA LEU A 75 -1.861 2.385 -2.604 1.00 0.00 C ATOM 1146 C LEU A 75 -0.872 1.863 -3.628 1.00 0.00 C ATOM 1147 O LEU A 75 -1.034 2.112 -4.823 1.00 0.00 O ATOM 1148 CB LEU A 75 -3.206 1.725 -2.855 1.00 0.00 C ATOM 1149 CG LEU A 75 -4.353 2.163 -1.948 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -5.215 3.227 -2.623 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -5.182 0.956 -1.567 1.00 0.00 C ATOM 0 H LEU A 75 -2.529 4.131 -3.528 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.529 2.152 -1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.494 1.917 -3.888 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.082 0.647 -2.754 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.937 2.609 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.024 3.519 -1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.603 4.099 -2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.635 2.824 -3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.002 1.267 -0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.587 0.494 -2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.556 0.236 -1.040 1.00 0.00 H new ATOM 1163 N LEU A 76 0.146 1.155 -3.184 1.00 0.00 N ATOM 1164 CA LEU A 76 1.097 0.571 -4.108 1.00 0.00 C ATOM 1165 C LEU A 76 1.079 -0.947 -4.000 1.00 0.00 C ATOM 1166 O LEU A 76 1.470 -1.512 -2.982 1.00 0.00 O ATOM 1167 CB LEU A 76 2.506 1.116 -3.853 1.00 0.00 C ATOM 1168 CG LEU A 76 3.137 1.849 -5.042 1.00 0.00 C ATOM 1169 CD1 LEU A 76 4.488 2.436 -4.659 1.00 0.00 C ATOM 1170 CD2 LEU A 76 3.284 0.906 -6.228 1.00 0.00 C ATOM 0 H LEU A 76 0.336 0.971 -2.199 1.00 0.00 H new ATOM 0 HA LEU A 76 0.806 0.847 -5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.468 1.797 -3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.155 0.287 -3.569 1.00 0.00 H new ATOM 0 HG LEU A 76 2.478 2.669 -5.328 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.917 2.952 -5.518 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.358 3.143 -3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.157 1.635 -4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.733 1.441 -7.065 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.922 0.067 -5.949 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.302 0.534 -6.521 1.00 0.00 H new ATOM 1182 N LEU A 77 0.610 -1.595 -5.055 1.00 0.00 N ATOM 1183 CA LEU A 77 0.560 -3.048 -5.119 1.00 0.00 C ATOM 1184 C LEU A 77 1.790 -3.548 -5.858 1.00 0.00 C ATOM 1185 O LEU A 77 2.133 -3.032 -6.925 1.00 0.00 O ATOM 1186 CB LEU A 77 -0.690 -3.545 -5.872 1.00 0.00 C ATOM 1187 CG LEU A 77 -2.072 -3.391 -5.204 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -2.262 -2.013 -4.586 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -3.135 -3.616 -6.259 1.00 0.00 C ATOM 0 H LEU A 77 0.254 -1.130 -5.890 1.00 0.00 H new ATOM 0 HA LEU A 77 0.524 -3.429 -4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.727 -3.025 -6.829 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.545 -4.603 -6.089 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.149 -4.122 -4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.249 -1.953 -4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.499 -1.847 -3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.174 -1.251 -5.361 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.122 -3.512 -5.809 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.020 -2.880 -7.055 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.029 -4.618 -6.674 1.00 0.00 H new ATOM 1201 N PHE A 78 2.440 -4.546 -5.302 1.00 0.00 N ATOM 1202 CA PHE A 78 3.593 -5.154 -5.933 1.00 0.00 C ATOM 1203 C PHE A 78 3.429 -6.664 -6.001 1.00 0.00 C ATOM 1204 O PHE A 78 2.654 -7.243 -5.237 1.00 0.00 O ATOM 1205 CB PHE A 78 4.864 -4.834 -5.150 1.00 0.00 C ATOM 1206 CG PHE A 78 5.372 -3.431 -5.323 1.00 0.00 C ATOM 1207 CD1 PHE A 78 4.849 -2.392 -4.580 1.00 0.00 C ATOM 1208 CD2 PHE A 78 6.394 -3.159 -6.217 1.00 0.00 C ATOM 1209 CE1 PHE A 78 5.332 -1.111 -4.727 1.00 0.00 C ATOM 1210 CE2 PHE A 78 6.883 -1.879 -6.367 1.00 0.00 C ATOM 1211 CZ PHE A 78 6.351 -0.852 -5.621 1.00 0.00 C ATOM 0 H PHE A 78 2.187 -4.958 -4.404 1.00 0.00 H new ATOM 0 HA PHE A 78 3.673 -4.748 -6.941 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.676 -5.010 -4.091 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.646 -5.529 -5.454 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.053 -2.586 -3.876 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.814 -3.961 -6.805 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.912 -0.307 -4.141 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.681 -1.683 -7.068 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.730 0.153 -5.735 1.00 0.00 H new ATOM 1221 N LYS A 79 4.132 -7.297 -6.927 1.00 0.00 N ATOM 1222 CA LYS A 79 4.258 -8.743 -6.912 1.00 0.00 C ATOM 1223 C LYS A 79 5.678 -9.143 -7.270 1.00 0.00 C ATOM 1224 O LYS A 79 6.145 -8.855 -8.376 1.00 0.00 O ATOM 1225 CB LYS A 79 3.289 -9.398 -7.892 1.00 0.00 C ATOM 1226 CG LYS A 79 2.864 -10.796 -7.469 1.00 0.00 C ATOM 1227 CD LYS A 79 1.566 -11.215 -8.139 1.00 0.00 C ATOM 1228 CE LYS A 79 1.691 -11.243 -9.653 1.00 0.00 C ATOM 1229 NZ LYS A 79 0.387 -11.532 -10.305 1.00 0.00 N ATOM 0 H LYS A 79 4.621 -6.834 -7.693 1.00 0.00 H new ATOM 0 HA LYS A 79 4.016 -9.087 -5.906 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.403 -8.770 -7.992 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.756 -9.449 -8.876 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.650 -11.508 -7.722 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.741 -10.827 -6.386 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.275 -12.203 -7.781 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.771 -10.526 -7.853 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.070 -10.283 -10.005 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.420 -11.999 -9.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.536 -11.694 -11.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.035 -12.381 -9.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.254 -10.723 -10.174 1.00 0.00 H new ATOM 1243 N ASN A 80 6.368 -9.773 -6.322 1.00 0.00 N ATOM 1244 CA ASN A 80 7.669 -10.378 -6.590 1.00 0.00 C ATOM 1245 C ASN A 80 8.716 -9.312 -6.943 1.00 0.00 C ATOM 1246 O ASN A 80 9.407 -9.396 -7.958 1.00 0.00 O ATOM 1247 CB ASN A 80 7.497 -11.405 -7.714 1.00 0.00 C ATOM 1248 CG ASN A 80 8.767 -12.118 -8.119 1.00 0.00 C ATOM 1249 OD1 ASN A 80 9.647 -12.391 -7.300 1.00 0.00 O ATOM 1250 ND2 ASN A 80 8.859 -12.406 -9.403 1.00 0.00 N ATOM 0 H ASN A 80 6.046 -9.878 -5.360 1.00 0.00 H new ATOM 0 HA ASN A 80 8.038 -10.881 -5.696 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.764 -12.148 -7.400 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.085 -10.901 -8.588 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.689 -12.878 -9.762 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.100 -12.157 -10.037 1.00 0.00 H new ATOM 1257 N GLY A 81 8.805 -8.285 -6.103 1.00 0.00 N ATOM 1258 CA GLY A 81 9.810 -7.246 -6.288 1.00 0.00 C ATOM 1259 C GLY A 81 9.503 -6.325 -7.453 1.00 0.00 C ATOM 1260 O GLY A 81 10.306 -5.456 -7.793 1.00 0.00 O ATOM 0 H GLY A 81 8.198 -8.151 -5.294 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.886 -6.655 -5.375 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.782 -7.713 -6.447 1.00 0.00 H new ATOM 1264 N LYS A 82 8.343 -6.513 -8.063 1.00 0.00 N ATOM 1265 CA LYS A 82 7.901 -5.665 -9.156 1.00 0.00 C ATOM 1266 C LYS A 82 6.521 -5.143 -8.827 1.00 0.00 C ATOM 1267 O LYS A 82 5.845 -5.708 -7.983 1.00 0.00 O ATOM 1268 CB LYS A 82 7.871 -6.444 -10.476 1.00 0.00 C ATOM 1269 CG LYS A 82 9.235 -6.936 -10.935 1.00 0.00 C ATOM 1270 CD LYS A 82 10.174 -5.779 -11.241 1.00 0.00 C ATOM 1271 CE LYS A 82 11.511 -6.268 -11.776 1.00 0.00 C ATOM 1272 NZ LYS A 82 12.224 -7.132 -10.797 1.00 0.00 N ATOM 0 H LYS A 82 7.686 -7.253 -7.816 1.00 0.00 H new ATOM 0 HA LYS A 82 8.598 -4.836 -9.277 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.206 -7.300 -10.366 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.446 -5.808 -11.252 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.674 -7.567 -10.162 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.119 -7.556 -11.824 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.710 -5.117 -11.972 1.00 0.00 H new ATOM 0 HD3 LYS A 82 10.336 -5.193 -10.337 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.350 -6.824 -12.699 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.137 -5.411 -12.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.195 -7.303 -11.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.252 -6.658 -9.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.724 -8.039 -10.706 1.00 0.00 H new ATOM 1286 N GLU A 83 6.108 -4.069 -9.472 1.00 0.00 N ATOM 1287 CA GLU A 83 4.795 -3.492 -9.224 1.00 0.00 C ATOM 1288 C GLU A 83 3.706 -4.425 -9.759 1.00 0.00 C ATOM 1289 O GLU A 83 3.998 -5.519 -10.245 1.00 0.00 O ATOM 1290 CB GLU A 83 4.716 -2.120 -9.909 1.00 0.00 C ATOM 1291 CG GLU A 83 3.569 -1.237 -9.438 1.00 0.00 C ATOM 1292 CD GLU A 83 3.582 0.129 -10.093 1.00 0.00 C ATOM 1293 OE1 GLU A 83 4.478 0.943 -9.783 1.00 0.00 O ATOM 1294 OE2 GLU A 83 2.697 0.392 -10.933 1.00 0.00 O ATOM 0 H GLU A 83 6.661 -3.576 -10.173 1.00 0.00 H new ATOM 0 HA GLU A 83 4.641 -3.367 -8.152 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.655 -1.592 -9.742 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.622 -2.271 -10.984 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.622 -1.731 -9.654 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.627 -1.118 -8.356 1.00 0.00 H new ATOM 1301 N VAL A 84 2.458 -4.023 -9.574 1.00 0.00 N ATOM 1302 CA VAL A 84 1.332 -4.580 -10.309 1.00 0.00 C ATOM 1303 C VAL A 84 0.260 -3.518 -10.496 1.00 0.00 C ATOM 1304 O VAL A 84 -0.438 -3.505 -11.510 1.00 0.00 O ATOM 1305 CB VAL A 84 0.707 -5.825 -9.648 1.00 0.00 C ATOM 1306 CG1 VAL A 84 1.414 -7.098 -10.083 1.00 0.00 C ATOM 1307 CG2 VAL A 84 0.741 -5.699 -8.147 1.00 0.00 C ATOM 0 H VAL A 84 2.196 -3.298 -8.906 1.00 0.00 H new ATOM 0 HA VAL A 84 1.731 -4.904 -11.270 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.331 -5.887 -9.975 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.948 -7.956 -9.599 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.337 -7.206 -11.165 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.465 -7.046 -9.798 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.296 -6.586 -7.697 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.774 -5.602 -7.813 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.178 -4.817 -7.843 1.00 0.00 H new ATOM 1317 N ALA A 85 0.146 -2.614 -9.519 1.00 0.00 N ATOM 1318 CA ALA A 85 -0.813 -1.515 -9.598 1.00 0.00 C ATOM 1319 C ALA A 85 -0.597 -0.490 -8.490 1.00 0.00 C ATOM 1320 O ALA A 85 -0.339 -0.852 -7.354 1.00 0.00 O ATOM 1321 CB ALA A 85 -2.236 -2.051 -9.545 1.00 0.00 C ATOM 0 H ALA A 85 0.706 -2.624 -8.667 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.653 -1.010 -10.551 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.940 -1.221 -9.605 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.401 -2.728 -10.383 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.388 -2.589 -8.609 1.00 0.00 H new ATOM 1327 N LYS A 86 -0.691 0.791 -8.828 1.00 0.00 N ATOM 1328 CA LYS A 86 -0.650 1.847 -7.821 1.00 0.00 C ATOM 1329 C LYS A 86 -1.763 2.863 -8.052 1.00 0.00 C ATOM 1330 O LYS A 86 -2.011 3.287 -9.183 1.00 0.00 O ATOM 1331 CB LYS A 86 0.717 2.542 -7.774 1.00 0.00 C ATOM 1332 CG LYS A 86 1.209 3.094 -9.101 1.00 0.00 C ATOM 1333 CD LYS A 86 2.552 3.790 -8.930 1.00 0.00 C ATOM 1334 CE LYS A 86 3.125 4.259 -10.256 1.00 0.00 C ATOM 1335 NZ LYS A 86 3.400 3.122 -11.171 1.00 0.00 N ATOM 0 H LYS A 86 -0.796 1.123 -9.787 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.809 1.374 -6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.666 3.360 -7.055 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.454 1.833 -7.398 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.303 2.284 -9.825 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.478 3.797 -9.502 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.435 4.645 -8.264 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.255 3.108 -8.453 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.426 4.947 -10.731 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.046 4.813 -10.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.853 3.476 -12.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.034 2.444 -10.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.507 2.649 -11.415 1.00 0.00 H new ATOM 1349 N VAL A 87 -2.437 3.232 -6.969 1.00 0.00 N ATOM 1350 CA VAL A 87 -3.595 4.115 -7.034 1.00 0.00 C ATOM 1351 C VAL A 87 -3.472 5.225 -6.000 1.00 0.00 C ATOM 1352 O VAL A 87 -3.346 4.957 -4.804 1.00 0.00 O ATOM 1353 CB VAL A 87 -4.915 3.346 -6.787 1.00 0.00 C ATOM 1354 CG1 VAL A 87 -6.118 4.249 -7.017 1.00 0.00 C ATOM 1355 CG2 VAL A 87 -4.999 2.107 -7.668 1.00 0.00 C ATOM 0 H VAL A 87 -2.197 2.929 -6.025 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.620 4.539 -8.038 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.923 3.022 -5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.034 3.687 -6.838 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.073 5.097 -6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.110 4.611 -8.045 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.936 1.586 -7.474 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.958 2.403 -8.716 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.162 1.445 -7.445 1.00 0.00 H new ATOM 1365 N VAL A 88 -3.513 6.466 -6.456 1.00 0.00 N ATOM 1366 CA VAL A 88 -3.415 7.607 -5.556 1.00 0.00 C ATOM 1367 C VAL A 88 -4.808 8.053 -5.113 1.00 0.00 C ATOM 1368 O VAL A 88 -5.250 9.166 -5.411 1.00 0.00 O ATOM 1369 CB VAL A 88 -2.672 8.792 -6.213 1.00 0.00 C ATOM 1370 CG1 VAL A 88 -2.347 9.867 -5.186 1.00 0.00 C ATOM 1371 CG2 VAL A 88 -1.406 8.317 -6.911 1.00 0.00 C ATOM 0 H VAL A 88 -3.613 6.710 -7.441 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.840 7.289 -4.686 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.332 9.228 -6.963 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.824 10.690 -5.674 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.271 10.237 -4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.713 9.445 -4.406 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.900 9.169 -7.366 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.744 7.848 -6.184 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.666 7.594 -7.684 1.00 0.00 H new ATOM 1381 N GLY A 89 -5.511 7.168 -4.422 1.00 0.00 N ATOM 1382 CA GLY A 89 -6.819 7.507 -3.909 1.00 0.00 C ATOM 1383 C GLY A 89 -7.647 6.282 -3.599 1.00 0.00 C ATOM 1384 O GLY A 89 -7.821 5.415 -4.456 1.00 0.00 O ATOM 0 H GLY A 89 -5.198 6.221 -4.208 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.709 8.107 -3.005 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.345 8.123 -4.638 1.00 0.00 H new ATOM 1388 N ALA A 90 -8.139 6.206 -2.369 1.00 0.00 N ATOM 1389 CA ALA A 90 -8.977 5.101 -1.940 1.00 0.00 C ATOM 1390 C ALA A 90 -10.214 4.977 -2.801 1.00 0.00 C ATOM 1391 O ALA A 90 -11.091 5.841 -2.786 1.00 0.00 O ATOM 1392 CB ALA A 90 -9.376 5.280 -0.495 1.00 0.00 C ATOM 0 H ALA A 90 -7.968 6.906 -1.647 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.397 4.184 -2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.004 4.445 -0.185 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.482 5.312 0.128 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.930 6.212 -0.383 1.00 0.00 H new ATOM 1398 N ASN A 91 -10.262 3.911 -3.568 1.00 0.00 N ATOM 1399 CA ASN A 91 -11.425 3.605 -4.366 1.00 0.00 C ATOM 1400 C ASN A 91 -12.013 2.290 -3.874 1.00 0.00 C ATOM 1401 O ASN A 91 -11.658 1.232 -4.378 1.00 0.00 O ATOM 1402 CB ASN A 91 -11.017 3.504 -5.834 1.00 0.00 C ATOM 1403 CG ASN A 91 -12.100 3.981 -6.786 1.00 0.00 C ATOM 1404 OD1 ASN A 91 -12.210 3.492 -7.911 1.00 0.00 O ATOM 1405 ND2 ASN A 91 -12.897 4.950 -6.359 1.00 0.00 N ATOM 0 H ASN A 91 -9.501 3.237 -3.655 1.00 0.00 H new ATOM 0 HA ASN A 91 -12.176 4.390 -4.273 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.114 4.093 -5.996 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -10.768 2.468 -6.066 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.630 5.314 -6.969 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -12.778 5.332 -5.421 1.00 0.00 H new ATOM 1412 N PRO A 92 -12.924 2.361 -2.885 1.00 0.00 N ATOM 1413 CA PRO A 92 -13.440 1.205 -2.137 1.00 0.00 C ATOM 1414 C PRO A 92 -13.524 -0.104 -2.926 1.00 0.00 C ATOM 1415 O PRO A 92 -12.728 -1.020 -2.710 1.00 0.00 O ATOM 1416 CB PRO A 92 -14.827 1.682 -1.731 1.00 0.00 C ATOM 1417 CG PRO A 92 -14.663 3.146 -1.502 1.00 0.00 C ATOM 1418 CD PRO A 92 -13.537 3.611 -2.397 1.00 0.00 C ATOM 0 HA PRO A 92 -12.773 0.940 -1.316 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.561 1.482 -2.512 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.174 1.175 -0.830 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -15.585 3.678 -1.735 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -14.433 3.349 -0.456 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -13.909 4.221 -3.221 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -12.818 4.220 -1.849 1.00 0.00 H new ATOM 1426 N ALA A 93 -14.458 -0.180 -3.859 1.00 0.00 N ATOM 1427 CA ALA A 93 -14.726 -1.428 -4.558 1.00 0.00 C ATOM 1428 C ALA A 93 -13.680 -1.714 -5.625 1.00 0.00 C ATOM 1429 O ALA A 93 -13.373 -2.873 -5.898 1.00 0.00 O ATOM 1430 CB ALA A 93 -16.117 -1.405 -5.168 1.00 0.00 C ATOM 0 H ALA A 93 -15.042 0.604 -4.150 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.674 -2.234 -3.826 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.302 -2.345 -5.687 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -16.858 -1.274 -4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.190 -0.579 -5.876 1.00 0.00 H new ATOM 1436 N ALA A 94 -13.125 -0.667 -6.217 1.00 0.00 N ATOM 1437 CA ALA A 94 -12.136 -0.838 -7.273 1.00 0.00 C ATOM 1438 C ALA A 94 -10.802 -1.287 -6.699 1.00 0.00 C ATOM 1439 O ALA A 94 -10.039 -1.983 -7.362 1.00 0.00 O ATOM 1440 CB ALA A 94 -11.960 0.444 -8.061 1.00 0.00 C ATOM 0 H ALA A 94 -13.340 0.303 -5.987 1.00 0.00 H new ATOM 0 HA ALA A 94 -12.501 -1.612 -7.948 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.217 0.291 -8.843 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -12.911 0.726 -8.514 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -11.626 1.238 -7.394 1.00 0.00 H new ATOM 1446 N ILE A 95 -10.528 -0.887 -5.467 1.00 0.00 N ATOM 1447 CA ILE A 95 -9.296 -1.274 -4.800 1.00 0.00 C ATOM 1448 C ILE A 95 -9.388 -2.711 -4.322 1.00 0.00 C ATOM 1449 O ILE A 95 -8.496 -3.516 -4.580 1.00 0.00 O ATOM 1450 CB ILE A 95 -8.957 -0.361 -3.606 1.00 0.00 C ATOM 1451 CG1 ILE A 95 -8.606 1.053 -4.083 1.00 0.00 C ATOM 1452 CG2 ILE A 95 -7.810 -0.953 -2.802 1.00 0.00 C ATOM 1453 CD1 ILE A 95 -7.436 1.106 -5.041 1.00 0.00 C ATOM 0 H ILE A 95 -11.143 -0.294 -4.909 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.496 -1.171 -5.533 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.836 -0.293 -2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.479 1.489 -4.568 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.380 1.673 -3.215 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.580 -0.299 -1.961 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.097 -1.936 -2.429 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.931 -1.049 -3.439 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.251 2.140 -5.332 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.549 0.701 -4.554 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.665 0.515 -5.928 1.00 0.00 H new ATOM 1465 N LYS A 96 -10.478 -3.035 -3.641 1.00 0.00 N ATOM 1466 CA LYS A 96 -10.689 -4.390 -3.154 1.00 0.00 C ATOM 1467 C LYS A 96 -10.779 -5.366 -4.329 1.00 0.00 C ATOM 1468 O LYS A 96 -10.466 -6.548 -4.206 1.00 0.00 O ATOM 1469 CB LYS A 96 -11.941 -4.456 -2.279 1.00 0.00 C ATOM 1470 CG LYS A 96 -11.860 -3.574 -1.044 1.00 0.00 C ATOM 1471 CD LYS A 96 -13.211 -3.427 -0.356 1.00 0.00 C ATOM 1472 CE LYS A 96 -13.926 -4.761 -0.188 1.00 0.00 C ATOM 1473 NZ LYS A 96 -13.094 -5.769 0.523 1.00 0.00 N ATOM 0 H LYS A 96 -11.227 -2.381 -3.414 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.838 -4.681 -2.538 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.806 -4.160 -2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.105 -5.488 -1.969 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.141 -3.998 -0.343 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.488 -2.589 -1.326 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.069 -2.968 0.623 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.840 -2.752 -0.936 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.853 -4.606 0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.200 -5.148 -1.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.711 -6.488 0.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.449 -6.226 -0.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.540 -5.299 1.267 1.00 0.00 H new ATOM 1487 N GLN A 97 -11.188 -4.853 -5.476 1.00 0.00 N ATOM 1488 CA GLN A 97 -11.174 -5.633 -6.702 1.00 0.00 C ATOM 1489 C GLN A 97 -9.769 -5.670 -7.298 1.00 0.00 C ATOM 1490 O GLN A 97 -9.364 -6.672 -7.890 1.00 0.00 O ATOM 1491 CB GLN A 97 -12.159 -5.043 -7.711 1.00 0.00 C ATOM 1492 CG GLN A 97 -12.159 -5.743 -9.056 1.00 0.00 C ATOM 1493 CD GLN A 97 -13.054 -5.056 -10.061 1.00 0.00 C ATOM 1494 OE1 GLN A 97 -14.067 -4.455 -9.702 1.00 0.00 O ATOM 1495 NE2 GLN A 97 -12.676 -5.123 -11.326 1.00 0.00 N ATOM 0 H GLN A 97 -11.534 -3.900 -5.585 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.476 -6.654 -6.467 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -13.164 -5.087 -7.290 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.922 -3.990 -7.861 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -11.141 -5.779 -9.444 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -12.487 -6.774 -8.926 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.829 -5.632 -11.579 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.231 -4.666 -12.049 1.00 0.00 H new ATOM 1504 N ALA A 98 -9.021 -4.587 -7.121 1.00 0.00 N ATOM 1505 CA ALA A 98 -7.678 -4.490 -7.667 1.00 0.00 C ATOM 1506 C ALA A 98 -6.776 -5.525 -7.031 1.00 0.00 C ATOM 1507 O ALA A 98 -6.143 -6.315 -7.718 1.00 0.00 O ATOM 1508 CB ALA A 98 -7.109 -3.096 -7.464 1.00 0.00 C ATOM 0 H ALA A 98 -9.325 -3.763 -6.602 1.00 0.00 H new ATOM 0 HA ALA A 98 -7.731 -4.682 -8.739 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.103 -3.049 -7.881 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.745 -2.367 -7.967 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.071 -2.870 -6.398 1.00 0.00 H new ATOM 1514 N ILE A 99 -6.751 -5.534 -5.713 1.00 0.00 N ATOM 1515 CA ILE A 99 -5.897 -6.448 -4.966 1.00 0.00 C ATOM 1516 C ILE A 99 -6.134 -7.887 -5.418 1.00 0.00 C ATOM 1517 O ILE A 99 -5.194 -8.666 -5.569 1.00 0.00 O ATOM 1518 CB ILE A 99 -6.146 -6.371 -3.445 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -6.386 -4.934 -2.973 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -4.963 -6.970 -2.716 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -5.417 -3.939 -3.541 1.00 0.00 C ATOM 0 H ILE A 99 -7.315 -4.916 -5.130 1.00 0.00 H new ATOM 0 HA ILE A 99 -4.869 -6.146 -5.167 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.050 -6.937 -3.220 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.399 -4.637 -3.245 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -6.327 -4.904 -1.885 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.134 -6.918 -1.641 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.841 -8.011 -3.014 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.061 -6.413 -2.967 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.651 -2.945 -3.161 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.403 -4.210 -3.247 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.492 -3.938 -4.628 1.00 0.00 H new ATOM 1533 N ALA A 100 -7.398 -8.216 -5.667 1.00 0.00 N ATOM 1534 CA ALA A 100 -7.772 -9.563 -6.085 1.00 0.00 C ATOM 1535 C ALA A 100 -7.451 -9.794 -7.561 1.00 0.00 C ATOM 1536 O ALA A 100 -7.340 -10.932 -8.014 1.00 0.00 O ATOM 1537 CB ALA A 100 -9.249 -9.804 -5.819 1.00 0.00 C ATOM 0 H ALA A 100 -8.181 -7.568 -5.586 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.187 -10.273 -5.501 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.516 -10.812 -6.135 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.450 -9.693 -4.753 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.842 -9.080 -6.377 1.00 0.00 H new ATOM 1543 N ALA A 101 -7.308 -8.710 -8.307 1.00 0.00 N ATOM 1544 CA ALA A 101 -6.995 -8.785 -9.725 1.00 0.00 C ATOM 1545 C ALA A 101 -5.499 -8.978 -9.946 1.00 0.00 C ATOM 1546 O ALA A 101 -5.080 -9.794 -10.766 1.00 0.00 O ATOM 1547 CB ALA A 101 -7.469 -7.523 -10.436 1.00 0.00 C ATOM 0 H ALA A 101 -7.405 -7.760 -7.950 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.516 -9.647 -10.141 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.229 -7.591 -11.497 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.547 -7.420 -10.314 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.970 -6.654 -10.006 1.00 0.00 H new ATOM 1553 N ASN A 102 -4.702 -8.231 -9.193 1.00 0.00 N ATOM 1554 CA ASN A 102 -3.254 -8.215 -9.377 1.00 0.00 C ATOM 1555 C ASN A 102 -2.587 -9.418 -8.726 1.00 0.00 C ATOM 1556 O ASN A 102 -1.475 -9.793 -9.103 1.00 0.00 O ATOM 1557 CB ASN A 102 -2.660 -6.926 -8.811 1.00 0.00 C ATOM 1558 CG ASN A 102 -3.239 -5.689 -9.463 1.00 0.00 C ATOM 1559 OD1 ASN A 102 -2.811 -5.279 -10.539 1.00 0.00 O ATOM 1560 ND2 ASN A 102 -4.194 -5.070 -8.791 1.00 0.00 N ATOM 0 H ASN A 102 -5.035 -7.624 -8.444 1.00 0.00 H new ATOM 0 HA ASN A 102 -3.063 -8.264 -10.449 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -2.842 -6.886 -7.737 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.579 -6.935 -8.951 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -4.607 -4.215 -9.163 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -4.518 -5.448 -7.901 1.00 0.00 H new ATOM 1567 N ALA A 103 -3.262 -10.010 -7.746 1.00 0.00 N ATOM 1568 CA ALA A 103 -2.729 -11.167 -7.035 1.00 0.00 C ATOM 1569 C ALA A 103 -2.523 -12.347 -7.974 1.00 0.00 C ATOM 1570 O ALA A 103 -1.359 -12.655 -8.308 1.00 0.00 O ATOM 1571 CB ALA A 103 -3.652 -11.556 -5.891 1.00 0.00 C ATOM 1572 OXT ALA A 103 -3.527 -12.960 -8.385 1.00 0.00 O ATOM 0 H ALA A 103 -4.182 -9.707 -7.425 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.757 -10.891 -6.626 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.241 -12.421 -5.370 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.741 -10.722 -5.195 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.637 -11.805 -6.287 1.00 0.00 H new TER 1578 ALA A 103