USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 951 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 101 GLN : amide:sc= -0.0896 X(o=0.2,f=0.1) USER MOD Set 1.2: A 106 THR OG1 : rot 180:sc= 0.287 USER MOD Set 2.1: A 23 LYS NZ :NH3+ -127:sc= 1.51 (180deg=-3.05!) USER MOD Set 2.2: A 35 THR OG1 : rot -153:sc= 0.402 USER MOD Single : A 1 MET CE :methyl -133:sc= -1.6 (180deg=-5.07!) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.0047 (180deg=0) USER MOD Single : A 3 SER OG : rot -72:sc= 0.166 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 12 ASN : amide:sc= -0.567 K(o=-0.57,f=-4.1!) USER MOD Single : A 17 SER OG : rot -150:sc= -0.155 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -131:sc= -0.697 (180deg=-1.3) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -168:sc= -1.25 (180deg=-1.55) USER MOD Single : A 41 ASN : amide:sc= 0.416 K(o=0.42,f=-6.2!) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.423 USER MOD Single : A 59 ASN : amide:sc= -1.06 X(o=-1.1,f=-0.57) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -169:sc= 0.487 (180deg=0.426) USER MOD Single : A 78 GLN : amide:sc= -0.723 K(o=-0.72,f=-2.2!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.0186 K(o=-0.019,f=-4.1!) USER MOD Single : A 85 CYS SG : rot -28:sc= -0.344 USER MOD Single : A 87 SER OG : rot 78:sc= 0.429 USER MOD Single : A 88 MET CE :methyl 165:sc= 0 (180deg=-0.465) USER MOD Single : A 90 ASN :FLIP amide:sc= -2.41! C(o=-4.8!,f=-2.4!) USER MOD Single : A 97 MET CE :methyl 174:sc= -0.103 (180deg=-0.154) USER MOD Single : A 98 GLN : amide:sc= 0.54 K(o=0.54,f=-0.0023) USER MOD Single : A 105 LYS NZ :NH3+ -137:sc= 0.887 (180deg=0.0755) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= -0.297 K(o=-0.3,f=-1.1) USER MOD Single : A 120 LYS NZ :NH3+ -177:sc= 0.468 (180deg=0.443) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ -128:sc= 0.996 (180deg=-0.0862) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.207 -0.437 -0.928 1.00 3.14 N ATOM 2 CA MET A 1 -11.965 -0.483 -1.735 1.00 23.42 C ATOM 3 C MET A 1 -12.072 -1.541 -2.849 1.00 21.21 C ATOM 4 O MET A 1 -12.579 -2.647 -2.620 1.00 3.23 O ATOM 5 CB MET A 1 -10.727 -0.780 -0.841 1.00 25.52 C ATOM 6 CG MET A 1 -10.780 -2.108 -0.067 1.00 42.20 C ATOM 7 SD MET A 1 -9.152 -2.693 0.439 1.00 20.43 S ATOM 8 CE MET A 1 -8.582 -1.395 1.523 1.00 64.20 C ATOM 0 H1 MET A 1 -12.963 -0.368 0.081 1.00 3.14 H new ATOM 0 H2 MET A 1 -13.771 0.392 -1.205 1.00 3.14 H new ATOM 0 H3 MET A 1 -13.760 -1.302 -1.092 1.00 3.14 H new ATOM 0 HA MET A 1 -11.836 0.497 -2.193 1.00 23.42 H new ATOM 0 HB2 MET A 1 -9.837 -0.780 -1.470 1.00 25.52 H new ATOM 0 HB3 MET A 1 -10.612 0.034 -0.126 1.00 25.52 H new ATOM 0 HG2 MET A 1 -11.406 -1.983 0.817 1.00 42.20 H new ATOM 0 HG3 MET A 1 -11.255 -2.866 -0.689 1.00 42.20 H new ATOM 0 HE1 MET A 1 -7.558 -1.126 1.262 1.00 64.20 H new ATOM 0 HE2 MET A 1 -9.225 -0.522 1.415 1.00 64.20 H new ATOM 0 HE3 MET A 1 -8.614 -1.743 2.555 1.00 64.20 H new ATOM 20 N ARG A 2 -11.650 -1.179 -4.070 1.00 54.13 N ATOM 21 CA ARG A 2 -11.411 -2.162 -5.144 1.00 62.43 C ATOM 22 C ARG A 2 -10.278 -3.170 -4.788 1.00 62.25 C ATOM 23 O ARG A 2 -9.395 -2.887 -3.964 1.00 12.53 O ATOM 24 CB ARG A 2 -11.109 -1.450 -6.491 1.00 54.34 C ATOM 25 CG ARG A 2 -9.930 -0.453 -6.465 1.00 14.42 C ATOM 26 CD ARG A 2 -9.500 0.001 -7.878 1.00 10.42 C ATOM 27 NE ARG A 2 -10.599 0.584 -8.671 1.00 1.31 N ATOM 28 CZ ARG A 2 -10.617 0.688 -9.987 1.00 50.44 C ATOM 29 NH1 ARG A 2 -9.632 0.271 -10.717 1.00 53.21 N ATOM 30 NH2 ARG A 2 -11.640 1.206 -10.569 1.00 71.01 N ATOM 0 H ARG A 2 -11.466 -0.213 -4.341 1.00 54.13 H new ATOM 0 HA ARG A 2 -12.329 -2.739 -5.252 1.00 62.43 H new ATOM 0 HB2 ARG A 2 -10.904 -2.209 -7.246 1.00 54.34 H new ATOM 0 HB3 ARG A 2 -12.005 -0.918 -6.810 1.00 54.34 H new ATOM 0 HG2 ARG A 2 -10.212 0.421 -5.877 1.00 14.42 H new ATOM 0 HG3 ARG A 2 -9.080 -0.915 -5.962 1.00 14.42 H new ATOM 0 HD2 ARG A 2 -8.700 0.735 -7.787 1.00 10.42 H new ATOM 0 HD3 ARG A 2 -9.089 -0.853 -8.416 1.00 10.42 H new ATOM 0 HE ARG A 2 -11.410 0.935 -8.162 1.00 1.31 H new ATOM 0 HH11 ARG A 2 -8.814 -0.151 -10.277 1.00 53.21 H new ATOM 0 HH12 ARG A 2 -9.674 0.365 -11.732 1.00 53.21 H new ATOM 0 HH21 ARG A 2 -12.431 1.533 -10.014 1.00 71.01 H new ATOM 0 HH22 ARG A 2 -11.661 1.289 -11.585 1.00 71.01 H new ATOM 44 N SER A 3 -10.334 -4.334 -5.449 1.00 15.14 N ATOM 45 CA SER A 3 -9.419 -5.478 -5.211 1.00 2.45 C ATOM 46 C SER A 3 -7.953 -5.179 -5.629 1.00 52.01 C ATOM 47 O SER A 3 -7.697 -4.273 -6.427 1.00 41.33 O ATOM 48 CB SER A 3 -9.937 -6.717 -5.974 1.00 73.02 C ATOM 49 OG SER A 3 -11.226 -7.110 -5.525 1.00 24.14 O ATOM 0 H SER A 3 -11.024 -4.518 -6.177 1.00 15.14 H new ATOM 0 HA SER A 3 -9.409 -5.665 -4.137 1.00 2.45 H new ATOM 0 HB2 SER A 3 -9.975 -6.498 -7.041 1.00 73.02 H new ATOM 0 HB3 SER A 3 -9.238 -7.543 -5.843 1.00 73.02 H new ATOM 0 HG SER A 3 -11.154 -7.507 -4.632 1.00 24.14 H new ATOM 55 N ALA A 4 -7.001 -5.974 -5.092 1.00 11.32 N ATOM 56 CA ALA A 4 -5.563 -5.867 -5.449 1.00 62.25 C ATOM 57 C ALA A 4 -5.319 -6.281 -6.920 1.00 50.34 C ATOM 58 O ALA A 4 -4.362 -5.825 -7.542 1.00 2.41 O ATOM 59 CB ALA A 4 -4.693 -6.699 -4.495 1.00 13.34 C ATOM 0 H ALA A 4 -7.201 -6.702 -4.406 1.00 11.32 H new ATOM 0 HA ALA A 4 -5.274 -4.821 -5.343 1.00 62.25 H new ATOM 0 HB1 ALA A 4 -3.645 -6.602 -4.780 1.00 13.34 H new ATOM 0 HB2 ALA A 4 -4.826 -6.340 -3.475 1.00 13.34 H new ATOM 0 HB3 ALA A 4 -4.989 -7.746 -4.553 1.00 13.34 H new ATOM 65 N THR A 5 -6.195 -7.169 -7.444 1.00 32.03 N ATOM 66 CA THR A 5 -6.264 -7.493 -8.894 1.00 73.23 C ATOM 67 C THR A 5 -6.512 -6.227 -9.732 1.00 3.00 C ATOM 68 O THR A 5 -5.796 -5.943 -10.688 1.00 14.43 O ATOM 69 CB THR A 5 -7.434 -8.489 -9.213 1.00 12.53 C ATOM 70 OG1 THR A 5 -8.672 -7.979 -8.688 1.00 32.31 O ATOM 71 CG2 THR A 5 -7.196 -9.879 -8.649 1.00 51.10 C ATOM 0 H THR A 5 -6.873 -7.681 -6.879 1.00 32.03 H new ATOM 0 HA THR A 5 -5.305 -7.946 -9.147 1.00 73.23 H new ATOM 0 HB THR A 5 -7.482 -8.575 -10.299 1.00 12.53 H new ATOM 0 HG1 THR A 5 -9.397 -8.606 -8.893 1.00 32.31 H new ATOM 0 HG21 THR A 5 -8.038 -10.523 -8.901 1.00 51.10 H new ATOM 0 HG22 THR A 5 -6.282 -10.293 -9.075 1.00 51.10 H new ATOM 0 HG23 THR A 5 -7.097 -9.820 -7.565 1.00 51.10 H new ATOM 79 N ASP A 6 -7.547 -5.485 -9.326 1.00 24.11 N ATOM 80 CA ASP A 6 -8.064 -4.322 -10.055 1.00 73.00 C ATOM 81 C ASP A 6 -7.071 -3.126 -9.993 1.00 4.11 C ATOM 82 O ASP A 6 -6.927 -2.360 -10.943 1.00 63.54 O ATOM 83 CB ASP A 6 -9.443 -3.951 -9.436 1.00 14.43 C ATOM 84 CG ASP A 6 -10.322 -3.016 -10.279 1.00 71.23 C ATOM 85 OD1 ASP A 6 -10.126 -2.910 -11.507 1.00 0.30 O ATOM 86 OD2 ASP A 6 -11.272 -2.437 -9.718 1.00 33.30 O ATOM 0 H ASP A 6 -8.059 -5.679 -8.465 1.00 24.11 H new ATOM 0 HA ASP A 6 -8.182 -4.564 -11.111 1.00 73.00 H new ATOM 0 HB2 ASP A 6 -9.997 -4.871 -9.251 1.00 14.43 H new ATOM 0 HB3 ASP A 6 -9.271 -3.482 -8.467 1.00 14.43 H new ATOM 91 N LEU A 7 -6.418 -2.991 -8.831 1.00 4.04 N ATOM 92 CA LEU A 7 -5.333 -2.011 -8.586 1.00 71.02 C ATOM 93 C LEU A 7 -4.036 -2.353 -9.332 1.00 3.11 C ATOM 94 O LEU A 7 -3.258 -1.453 -9.690 1.00 21.42 O ATOM 95 CB LEU A 7 -5.081 -1.927 -7.068 1.00 60.50 C ATOM 96 CG LEU A 7 -6.171 -1.142 -6.292 1.00 41.45 C ATOM 97 CD1 LEU A 7 -6.057 -1.340 -4.776 1.00 12.15 C ATOM 98 CD2 LEU A 7 -6.107 0.349 -6.676 1.00 25.51 C ATOM 0 H LEU A 7 -6.627 -3.567 -8.015 1.00 4.04 H new ATOM 0 HA LEU A 7 -5.655 -1.045 -8.975 1.00 71.02 H new ATOM 0 HB2 LEU A 7 -5.018 -2.937 -6.664 1.00 60.50 H new ATOM 0 HB3 LEU A 7 -4.114 -1.454 -6.896 1.00 60.50 H new ATOM 0 HG LEU A 7 -7.146 -1.538 -6.577 1.00 41.45 H new ATOM 0 HD11 LEU A 7 -6.841 -0.772 -4.275 1.00 12.15 H new ATOM 0 HD12 LEU A 7 -6.167 -2.398 -4.538 1.00 12.15 H new ATOM 0 HD13 LEU A 7 -5.082 -0.991 -4.436 1.00 12.15 H new ATOM 0 HD21 LEU A 7 -6.874 0.899 -6.130 1.00 25.51 H new ATOM 0 HD22 LEU A 7 -5.125 0.748 -6.423 1.00 25.51 H new ATOM 0 HD23 LEU A 7 -6.277 0.456 -7.747 1.00 25.51 H new ATOM 110 N LEU A 8 -3.807 -3.652 -9.543 1.00 21.11 N ATOM 111 CA LEU A 8 -2.663 -4.146 -10.325 1.00 52.43 C ATOM 112 C LEU A 8 -2.772 -3.662 -11.798 1.00 22.14 C ATOM 113 O LEU A 8 -1.762 -3.430 -12.455 1.00 51.44 O ATOM 114 CB LEU A 8 -2.603 -5.695 -10.257 1.00 73.35 C ATOM 115 CG LEU A 8 -1.247 -6.344 -10.662 1.00 20.31 C ATOM 116 CD1 LEU A 8 -0.137 -5.984 -9.645 1.00 42.44 C ATOM 117 CD2 LEU A 8 -1.390 -7.872 -10.831 1.00 42.21 C ATOM 0 H LEU A 8 -4.407 -4.392 -9.179 1.00 21.11 H new ATOM 0 HA LEU A 8 -1.742 -3.746 -9.901 1.00 52.43 H new ATOM 0 HB2 LEU A 8 -2.841 -6.004 -9.239 1.00 73.35 H new ATOM 0 HB3 LEU A 8 -3.383 -6.098 -10.903 1.00 73.35 H new ATOM 0 HG LEU A 8 -0.952 -5.937 -11.629 1.00 20.31 H new ATOM 0 HD11 LEU A 8 0.800 -6.449 -9.950 1.00 42.44 H new ATOM 0 HD12 LEU A 8 -0.011 -4.902 -9.612 1.00 42.44 H new ATOM 0 HD13 LEU A 8 -0.418 -6.347 -8.656 1.00 42.44 H new ATOM 0 HD21 LEU A 8 -0.428 -8.298 -11.114 1.00 42.21 H new ATOM 0 HD22 LEU A 8 -1.720 -8.313 -9.890 1.00 42.21 H new ATOM 0 HD23 LEU A 8 -2.124 -8.085 -11.608 1.00 42.21 H new ATOM 129 N ASP A 9 -4.027 -3.513 -12.285 1.00 52.20 N ATOM 130 CA ASP A 9 -4.331 -2.925 -13.612 1.00 61.32 C ATOM 131 C ASP A 9 -3.869 -1.448 -13.726 1.00 34.20 C ATOM 132 O ASP A 9 -3.411 -1.047 -14.789 1.00 41.04 O ATOM 133 CB ASP A 9 -5.850 -3.032 -13.925 1.00 74.24 C ATOM 134 CG ASP A 9 -6.306 -4.458 -14.274 1.00 74.22 C ATOM 135 OD1 ASP A 9 -6.135 -5.371 -13.447 1.00 21.31 O ATOM 136 OD2 ASP A 9 -6.822 -4.677 -15.396 1.00 31.31 O ATOM 0 H ASP A 9 -4.859 -3.798 -11.768 1.00 52.20 H new ATOM 0 HA ASP A 9 -3.769 -3.501 -14.347 1.00 61.32 H new ATOM 0 HB2 ASP A 9 -6.416 -2.679 -13.063 1.00 74.24 H new ATOM 0 HB3 ASP A 9 -6.089 -2.369 -14.757 1.00 74.24 H new ATOM 141 N GLU A 10 -4.002 -0.647 -12.640 1.00 52.03 N ATOM 142 CA GLU A 10 -3.511 0.766 -12.622 1.00 71.44 C ATOM 143 C GLU A 10 -1.971 0.810 -12.709 1.00 33.32 C ATOM 144 O GLU A 10 -1.403 1.575 -13.499 1.00 45.05 O ATOM 145 CB GLU A 10 -3.983 1.544 -11.350 1.00 64.02 C ATOM 146 CG GLU A 10 -5.441 2.056 -11.386 1.00 51.11 C ATOM 147 CD GLU A 10 -6.505 0.956 -11.228 1.00 10.33 C ATOM 148 OE1 GLU A 10 -6.868 0.637 -10.079 1.00 23.32 O ATOM 149 OE2 GLU A 10 -7.008 0.438 -12.251 1.00 3.33 O ATOM 0 H GLU A 10 -4.440 -0.946 -11.769 1.00 52.03 H new ATOM 0 HA GLU A 10 -3.942 1.256 -13.495 1.00 71.44 H new ATOM 0 HB2 GLU A 10 -3.866 0.893 -10.483 1.00 64.02 H new ATOM 0 HB3 GLU A 10 -3.321 2.397 -11.200 1.00 64.02 H new ATOM 0 HG2 GLU A 10 -5.575 2.791 -10.592 1.00 51.11 H new ATOM 0 HG3 GLU A 10 -5.608 2.573 -12.331 1.00 51.11 H new ATOM 156 N LEU A 11 -1.322 -0.027 -11.887 1.00 44.21 N ATOM 157 CA LEU A 11 0.147 -0.171 -11.842 1.00 62.31 C ATOM 158 C LEU A 11 0.737 -0.635 -13.209 1.00 44.04 C ATOM 159 O LEU A 11 1.767 -0.131 -13.657 1.00 33.21 O ATOM 160 CB LEU A 11 0.500 -1.182 -10.717 1.00 41.43 C ATOM 161 CG LEU A 11 0.138 -0.743 -9.253 1.00 30.54 C ATOM 162 CD1 LEU A 11 0.194 -1.938 -8.271 1.00 20.11 C ATOM 163 CD2 LEU A 11 1.064 0.404 -8.781 1.00 62.30 C ATOM 0 H LEU A 11 -1.806 -0.633 -11.224 1.00 44.21 H new ATOM 0 HA LEU A 11 0.592 0.802 -11.633 1.00 62.31 H new ATOM 0 HB2 LEU A 11 -0.009 -2.122 -10.929 1.00 41.43 H new ATOM 0 HB3 LEU A 11 1.571 -1.383 -10.760 1.00 41.43 H new ATOM 0 HG LEU A 11 -0.888 -0.375 -9.262 1.00 30.54 H new ATOM 0 HD11 LEU A 11 -0.062 -1.597 -7.268 1.00 20.11 H new ATOM 0 HD12 LEU A 11 -0.516 -2.702 -8.587 1.00 20.11 H new ATOM 0 HD13 LEU A 11 1.200 -2.358 -8.266 1.00 20.11 H new ATOM 0 HD21 LEU A 11 0.796 0.693 -7.765 1.00 62.30 H new ATOM 0 HD22 LEU A 11 2.100 0.067 -8.801 1.00 62.30 H new ATOM 0 HD23 LEU A 11 0.948 1.261 -9.444 1.00 62.30 H new ATOM 175 N ASN A 12 0.067 -1.610 -13.845 1.00 53.41 N ATOM 176 CA ASN A 12 0.466 -2.157 -15.172 1.00 2.41 C ATOM 177 C ASN A 12 0.004 -1.265 -16.358 1.00 41.01 C ATOM 178 O ASN A 12 0.463 -1.459 -17.492 1.00 41.21 O ATOM 179 CB ASN A 12 -0.086 -3.603 -15.322 1.00 33.33 C ATOM 180 CG ASN A 12 0.577 -4.596 -14.356 1.00 53.32 C ATOM 181 OD1 ASN A 12 1.757 -4.493 -14.054 1.00 14.32 O ATOM 182 ND2 ASN A 12 -0.175 -5.560 -13.860 1.00 5.21 N ATOM 0 H ASN A 12 -0.770 -2.049 -13.461 1.00 53.41 H new ATOM 0 HA ASN A 12 1.555 -2.170 -15.209 1.00 2.41 H new ATOM 0 HB2 ASN A 12 -1.162 -3.596 -15.147 1.00 33.33 H new ATOM 0 HB3 ASN A 12 0.068 -3.942 -16.347 1.00 33.33 H new ATOM 0 HD21 ASN A 12 0.226 -6.237 -13.211 1.00 5.21 H new ATOM 0 HD22 ASN A 12 -1.158 -5.628 -14.125 1.00 5.21 H new ATOM 189 N ALA A 13 -0.912 -0.309 -16.103 1.00 15.44 N ATOM 190 CA ALA A 13 -1.364 0.672 -17.124 1.00 55.43 C ATOM 191 C ALA A 13 -0.328 1.800 -17.294 1.00 1.11 C ATOM 192 O ALA A 13 0.242 1.985 -18.378 1.00 44.51 O ATOM 193 CB ALA A 13 -2.733 1.267 -16.746 1.00 53.31 C ATOM 0 H ALA A 13 -1.359 -0.191 -15.194 1.00 15.44 H new ATOM 0 HA ALA A 13 -1.465 0.143 -18.072 1.00 55.43 H new ATOM 0 HB1 ALA A 13 -3.042 1.982 -17.509 1.00 53.31 H new ATOM 0 HB2 ALA A 13 -3.471 0.468 -16.678 1.00 53.31 H new ATOM 0 HB3 ALA A 13 -2.657 1.773 -15.784 1.00 53.31 H new ATOM 199 N VAL A 14 -0.098 2.553 -16.204 1.00 2.55 N ATOM 200 CA VAL A 14 0.826 3.706 -16.196 1.00 51.33 C ATOM 201 C VAL A 14 2.190 3.314 -15.578 1.00 11.32 C ATOM 202 O VAL A 14 2.251 2.517 -14.634 1.00 60.22 O ATOM 203 CB VAL A 14 0.193 4.940 -15.441 1.00 54.15 C ATOM 204 CG1 VAL A 14 -1.132 5.379 -16.115 1.00 60.10 C ATOM 205 CG2 VAL A 14 -0.041 4.651 -13.936 1.00 22.13 C ATOM 0 H VAL A 14 -0.546 2.382 -15.304 1.00 2.55 H new ATOM 0 HA VAL A 14 0.998 4.005 -17.230 1.00 51.33 H new ATOM 0 HB VAL A 14 0.913 5.755 -15.510 1.00 54.15 H new ATOM 0 HG11 VAL A 14 -1.549 6.230 -15.577 1.00 60.10 H new ATOM 0 HG12 VAL A 14 -0.937 5.663 -17.149 1.00 60.10 H new ATOM 0 HG13 VAL A 14 -1.843 4.553 -16.093 1.00 60.10 H new ATOM 0 HG21 VAL A 14 -0.477 5.529 -13.460 1.00 22.13 H new ATOM 0 HG22 VAL A 14 -0.720 3.805 -13.829 1.00 22.13 H new ATOM 0 HG23 VAL A 14 0.910 4.415 -13.459 1.00 22.13 H new ATOM 215 N ASP A 15 3.275 3.882 -16.135 1.00 54.11 N ATOM 216 CA ASP A 15 4.675 3.574 -15.728 1.00 33.11 C ATOM 217 C ASP A 15 4.931 3.918 -14.243 1.00 45.21 C ATOM 218 O ASP A 15 5.521 3.129 -13.494 1.00 42.34 O ATOM 219 CB ASP A 15 5.664 4.364 -16.620 1.00 62.44 C ATOM 220 CG ASP A 15 5.416 4.132 -18.117 1.00 30.15 C ATOM 221 OD1 ASP A 15 4.492 4.763 -18.678 1.00 50.33 O ATOM 222 OD2 ASP A 15 6.123 3.313 -18.737 1.00 3.00 O ATOM 0 H ASP A 15 3.214 4.572 -16.884 1.00 54.11 H new ATOM 0 HA ASP A 15 4.829 2.502 -15.855 1.00 33.11 H new ATOM 0 HB2 ASP A 15 5.576 5.428 -16.401 1.00 62.44 H new ATOM 0 HB3 ASP A 15 6.685 4.071 -16.374 1.00 62.44 H new ATOM 227 N GLU A 16 4.489 5.118 -13.846 1.00 60.35 N ATOM 228 CA GLU A 16 4.501 5.577 -12.447 1.00 42.25 C ATOM 229 C GLU A 16 3.078 6.020 -12.031 1.00 43.43 C ATOM 230 O GLU A 16 2.532 6.998 -12.557 1.00 13.22 O ATOM 231 CB GLU A 16 5.557 6.712 -12.278 1.00 41.43 C ATOM 232 CG GLU A 16 5.469 7.846 -13.332 1.00 13.05 C ATOM 233 CD GLU A 16 6.671 8.802 -13.296 1.00 31.13 C ATOM 234 OE1 GLU A 16 7.706 8.490 -13.926 1.00 51.42 O ATOM 235 OE2 GLU A 16 6.603 9.858 -12.626 1.00 34.42 O ATOM 0 H GLU A 16 4.108 5.808 -14.494 1.00 60.35 H new ATOM 0 HA GLU A 16 4.792 4.763 -11.783 1.00 42.25 H new ATOM 0 HB2 GLU A 16 5.445 7.148 -11.286 1.00 41.43 H new ATOM 0 HB3 GLU A 16 6.553 6.271 -12.322 1.00 41.43 H new ATOM 0 HG2 GLU A 16 5.394 7.404 -14.326 1.00 13.05 H new ATOM 0 HG3 GLU A 16 4.555 8.416 -13.167 1.00 13.05 H new ATOM 242 N SER A 17 2.463 5.246 -11.120 1.00 33.33 N ATOM 243 CA SER A 17 1.093 5.500 -10.628 1.00 74.54 C ATOM 244 C SER A 17 1.050 6.696 -9.642 1.00 31.42 C ATOM 245 O SER A 17 1.783 6.724 -8.653 1.00 64.42 O ATOM 246 CB SER A 17 0.523 4.222 -9.984 1.00 62.34 C ATOM 247 OG SER A 17 0.394 3.167 -10.928 1.00 52.23 O ATOM 0 H SER A 17 2.901 4.425 -10.702 1.00 33.33 H new ATOM 0 HA SER A 17 0.468 5.772 -11.479 1.00 74.54 H new ATOM 0 HB2 SER A 17 1.174 3.904 -9.170 1.00 62.34 H new ATOM 0 HB3 SER A 17 -0.451 4.439 -9.546 1.00 62.34 H new ATOM 0 HG SER A 17 -0.353 2.587 -10.670 1.00 52.23 H new ATOM 253 N ALA A 18 0.163 7.669 -9.930 1.00 55.23 N ATOM 254 CA ALA A 18 0.110 8.974 -9.224 1.00 64.34 C ATOM 255 C ALA A 18 -0.488 8.882 -7.791 1.00 63.11 C ATOM 256 O ALA A 18 0.066 9.446 -6.841 1.00 31.31 O ATOM 257 CB ALA A 18 -0.679 9.975 -10.083 1.00 3.33 C ATOM 0 H ALA A 18 -0.542 7.576 -10.661 1.00 55.23 H new ATOM 0 HA ALA A 18 1.136 9.316 -9.089 1.00 64.34 H new ATOM 0 HB1 ALA A 18 -0.723 10.937 -9.572 1.00 3.33 H new ATOM 0 HB2 ALA A 18 -0.183 10.098 -11.046 1.00 3.33 H new ATOM 0 HB3 ALA A 18 -1.691 9.601 -10.241 1.00 3.33 H new ATOM 263 N ARG A 19 -1.661 8.231 -7.656 1.00 35.55 N ATOM 264 CA ARG A 19 -2.340 8.020 -6.338 1.00 24.40 C ATOM 265 C ARG A 19 -2.274 6.541 -5.889 1.00 30.44 C ATOM 266 O ARG A 19 -2.745 6.197 -4.802 1.00 52.11 O ATOM 267 CB ARG A 19 -3.829 8.509 -6.386 1.00 24.41 C ATOM 268 CG ARG A 19 -4.025 10.043 -6.267 1.00 13.41 C ATOM 269 CD ARG A 19 -3.491 10.837 -7.474 1.00 3.52 C ATOM 270 NE ARG A 19 -3.444 12.286 -7.203 1.00 1.11 N ATOM 271 CZ ARG A 19 -2.351 12.976 -6.918 1.00 72.23 C ATOM 272 NH1 ARG A 19 -1.182 12.411 -6.843 1.00 21.01 N ATOM 273 NH2 ARG A 19 -2.439 14.245 -6.700 1.00 60.41 N ATOM 0 H ARG A 19 -2.171 7.835 -8.445 1.00 35.55 H new ATOM 0 HA ARG A 19 -1.802 8.617 -5.602 1.00 24.40 H new ATOM 0 HB2 ARG A 19 -4.275 8.174 -7.322 1.00 24.41 H new ATOM 0 HB3 ARG A 19 -4.380 8.025 -5.579 1.00 24.41 H new ATOM 0 HG2 ARG A 19 -5.087 10.255 -6.147 1.00 13.41 H new ATOM 0 HG3 ARG A 19 -3.525 10.394 -5.364 1.00 13.41 H new ATOM 0 HD2 ARG A 19 -2.492 10.483 -7.728 1.00 3.52 H new ATOM 0 HD3 ARG A 19 -4.125 10.650 -8.341 1.00 3.52 H new ATOM 0 HE ARG A 19 -4.325 12.798 -7.238 1.00 1.11 H new ATOM 0 HH11 ARG A 19 -1.089 11.408 -7.006 1.00 21.01 H new ATOM 0 HH12 ARG A 19 -0.358 12.970 -6.621 1.00 21.01 H new ATOM 0 HH21 ARG A 19 -3.346 14.709 -6.748 1.00 60.41 H new ATOM 0 HH22 ARG A 19 -1.601 14.784 -6.480 1.00 60.41 H new ATOM 287 N ILE A 20 -1.694 5.671 -6.731 1.00 35.32 N ATOM 288 CA ILE A 20 -1.546 4.225 -6.432 1.00 61.01 C ATOM 289 C ILE A 20 -0.050 3.909 -6.216 1.00 24.53 C ATOM 290 O ILE A 20 0.807 4.516 -6.860 1.00 62.42 O ATOM 291 CB ILE A 20 -2.128 3.332 -7.604 1.00 64.11 C ATOM 292 CG1 ILE A 20 -3.559 3.801 -8.017 1.00 31.24 C ATOM 293 CG2 ILE A 20 -2.138 1.824 -7.229 1.00 53.52 C ATOM 294 CD1 ILE A 20 -4.594 3.725 -6.910 1.00 53.40 C ATOM 0 H ILE A 20 -1.313 5.942 -7.638 1.00 35.32 H new ATOM 0 HA ILE A 20 -2.111 3.993 -5.529 1.00 61.01 H new ATOM 0 HB ILE A 20 -1.465 3.459 -8.460 1.00 64.11 H new ATOM 0 HG12 ILE A 20 -3.501 4.830 -8.372 1.00 31.24 H new ATOM 0 HG13 ILE A 20 -3.898 3.193 -8.856 1.00 31.24 H new ATOM 0 HG21 ILE A 20 -2.544 1.245 -8.059 1.00 53.52 H new ATOM 0 HG22 ILE A 20 -1.120 1.494 -7.021 1.00 53.52 H new ATOM 0 HG23 ILE A 20 -2.757 1.673 -6.344 1.00 53.52 H new ATOM 0 HD11 ILE A 20 -5.557 4.070 -7.288 1.00 53.40 H new ATOM 0 HD12 ILE A 20 -4.687 2.694 -6.569 1.00 53.40 H new ATOM 0 HD13 ILE A 20 -4.283 4.356 -6.078 1.00 53.40 H new ATOM 306 N GLU A 21 0.262 2.979 -5.311 1.00 5.10 N ATOM 307 CA GLU A 21 1.658 2.586 -5.015 1.00 3.34 C ATOM 308 C GLU A 21 1.765 1.062 -4.821 1.00 30.51 C ATOM 309 O GLU A 21 0.793 0.411 -4.454 1.00 73.04 O ATOM 310 CB GLU A 21 2.166 3.320 -3.749 1.00 55.45 C ATOM 311 CG GLU A 21 3.661 3.076 -3.432 1.00 22.31 C ATOM 312 CD GLU A 21 4.078 3.592 -2.051 1.00 42.14 C ATOM 313 OE1 GLU A 21 3.529 3.092 -1.044 1.00 13.33 O ATOM 314 OE2 GLU A 21 4.943 4.496 -1.949 1.00 41.32 O ATOM 0 H GLU A 21 -0.434 2.475 -4.761 1.00 5.10 H new ATOM 0 HA GLU A 21 2.281 2.871 -5.863 1.00 3.34 H new ATOM 0 HB2 GLU A 21 2.002 4.390 -3.873 1.00 55.45 H new ATOM 0 HB3 GLU A 21 1.568 3.003 -2.894 1.00 55.45 H new ATOM 0 HG2 GLU A 21 3.868 2.008 -3.491 1.00 22.31 H new ATOM 0 HG3 GLU A 21 4.271 3.562 -4.194 1.00 22.31 H new ATOM 321 N ALA A 22 2.947 0.501 -5.118 1.00 25.31 N ATOM 322 CA ALA A 22 3.284 -0.906 -4.824 1.00 43.54 C ATOM 323 C ALA A 22 4.597 -0.976 -4.005 1.00 23.13 C ATOM 324 O ALA A 22 5.614 -0.407 -4.413 1.00 61.23 O ATOM 325 CB ALA A 22 3.415 -1.691 -6.137 1.00 63.10 C ATOM 0 H ALA A 22 3.704 1.012 -5.572 1.00 25.31 H new ATOM 0 HA ALA A 22 2.488 -1.354 -4.230 1.00 43.54 H new ATOM 0 HB1 ALA A 22 3.664 -2.729 -5.917 1.00 63.10 H new ATOM 0 HB2 ALA A 22 2.471 -1.651 -6.680 1.00 63.10 H new ATOM 0 HB3 ALA A 22 4.203 -1.250 -6.747 1.00 63.10 H new ATOM 331 N LYS A 23 4.557 -1.641 -2.831 1.00 31.35 N ATOM 332 CA LYS A 23 5.758 -1.916 -2.001 1.00 2.10 C ATOM 333 C LYS A 23 5.898 -3.430 -1.699 1.00 2.31 C ATOM 334 O LYS A 23 4.915 -4.183 -1.686 1.00 14.01 O ATOM 335 CB LYS A 23 5.751 -1.107 -0.664 1.00 10.04 C ATOM 336 CG LYS A 23 6.024 0.420 -0.803 1.00 33.12 C ATOM 337 CD LYS A 23 6.511 1.046 0.530 1.00 71.14 C ATOM 338 CE LYS A 23 6.938 2.525 0.412 1.00 51.20 C ATOM 339 NZ LYS A 23 5.802 3.464 0.568 1.00 53.32 N ATOM 0 H LYS A 23 3.693 -2.004 -2.428 1.00 31.35 H new ATOM 0 HA LYS A 23 6.618 -1.590 -2.586 1.00 2.10 H new ATOM 0 HB2 LYS A 23 4.783 -1.243 -0.182 1.00 10.04 H new ATOM 0 HB3 LYS A 23 6.501 -1.533 0.002 1.00 10.04 H new ATOM 0 HG2 LYS A 23 6.774 0.585 -1.577 1.00 33.12 H new ATOM 0 HG3 LYS A 23 5.114 0.923 -1.129 1.00 33.12 H new ATOM 0 HD2 LYS A 23 5.714 0.967 1.269 1.00 71.14 H new ATOM 0 HD3 LYS A 23 7.353 0.465 0.906 1.00 71.14 H new ATOM 0 HE2 LYS A 23 7.690 2.743 1.170 1.00 51.20 H new ATOM 0 HE3 LYS A 23 7.407 2.687 -0.559 1.00 51.20 H new ATOM 0 HZ1 LYS A 23 5.776 4.115 -0.243 1.00 53.32 H new ATOM 0 HZ2 LYS A 23 4.912 2.928 0.610 1.00 53.32 H new ATOM 0 HZ3 LYS A 23 5.920 4.009 1.446 1.00 53.32 H new ATOM 353 N ARG A 24 7.154 -3.843 -1.466 1.00 63.21 N ATOM 354 CA ARG A 24 7.516 -5.231 -1.098 1.00 73.12 C ATOM 355 C ARG A 24 7.319 -5.483 0.423 1.00 73.24 C ATOM 356 O ARG A 24 7.372 -4.545 1.232 1.00 23.11 O ATOM 357 CB ARG A 24 8.992 -5.504 -1.507 1.00 35.30 C ATOM 358 CG ARG A 24 9.303 -5.190 -2.993 1.00 54.54 C ATOM 359 CD ARG A 24 10.781 -5.415 -3.364 1.00 64.22 C ATOM 360 NE ARG A 24 11.160 -6.836 -3.311 1.00 70.50 N ATOM 361 CZ ARG A 24 12.385 -7.306 -3.419 1.00 0.21 C ATOM 362 NH1 ARG A 24 13.406 -6.518 -3.537 1.00 25.20 N ATOM 363 NH2 ARG A 24 12.574 -8.581 -3.426 1.00 70.31 N ATOM 0 H ARG A 24 7.959 -3.220 -1.527 1.00 63.21 H new ATOM 0 HA ARG A 24 6.857 -5.916 -1.631 1.00 73.12 H new ATOM 0 HB2 ARG A 24 9.650 -4.907 -0.875 1.00 35.30 H new ATOM 0 HB3 ARG A 24 9.225 -6.551 -1.311 1.00 35.30 H new ATOM 0 HG2 ARG A 24 8.676 -5.815 -3.629 1.00 54.54 H new ATOM 0 HG3 ARG A 24 9.036 -4.154 -3.202 1.00 54.54 H new ATOM 0 HD2 ARG A 24 10.964 -5.030 -4.367 1.00 64.22 H new ATOM 0 HD3 ARG A 24 11.415 -4.847 -2.683 1.00 64.22 H new ATOM 0 HE ARG A 24 10.410 -7.514 -3.179 1.00 70.50 H new ATOM 0 HH11 ARG A 24 13.271 -5.507 -3.548 1.00 25.20 H new ATOM 0 HH12 ARG A 24 14.345 -6.908 -3.619 1.00 25.20 H new ATOM 0 HH21 ARG A 24 11.779 -9.215 -3.348 1.00 70.31 H new ATOM 0 HH22 ARG A 24 13.519 -8.956 -3.509 1.00 70.31 H new ATOM 377 N ALA A 25 7.107 -6.766 0.791 1.00 55.33 N ATOM 378 CA ALA A 25 6.908 -7.210 2.203 1.00 4.11 C ATOM 379 C ALA A 25 8.072 -6.801 3.153 1.00 42.04 C ATOM 380 O ALA A 25 7.857 -6.572 4.346 1.00 1.25 O ATOM 381 CB ALA A 25 6.710 -8.736 2.236 1.00 43.32 C ATOM 0 H ALA A 25 7.068 -7.532 0.119 1.00 55.33 H new ATOM 0 HA ALA A 25 6.019 -6.700 2.574 1.00 4.11 H new ATOM 0 HB1 ALA A 25 6.565 -9.062 3.266 1.00 43.32 H new ATOM 0 HB2 ALA A 25 5.834 -9.002 1.644 1.00 43.32 H new ATOM 0 HB3 ALA A 25 7.591 -9.226 1.821 1.00 43.32 H new ATOM 387 N SER A 26 9.295 -6.716 2.603 1.00 74.42 N ATOM 388 CA SER A 26 10.518 -6.344 3.365 1.00 2.00 C ATOM 389 C SER A 26 10.482 -4.880 3.885 1.00 4.34 C ATOM 390 O SER A 26 10.983 -4.583 4.977 1.00 64.32 O ATOM 391 CB SER A 26 11.767 -6.548 2.471 1.00 33.43 C ATOM 392 OG SER A 26 11.692 -5.762 1.288 1.00 44.44 O ATOM 0 H SER A 26 9.473 -6.902 1.616 1.00 74.42 H new ATOM 0 HA SER A 26 10.563 -6.993 4.239 1.00 2.00 H new ATOM 0 HB2 SER A 26 12.664 -6.282 3.030 1.00 33.43 H new ATOM 0 HB3 SER A 26 11.858 -7.601 2.205 1.00 33.43 H new ATOM 0 HG SER A 26 12.494 -5.910 0.745 1.00 44.44 H new ATOM 398 N ASP A 27 9.885 -3.974 3.088 1.00 60.44 N ATOM 399 CA ASP A 27 9.868 -2.518 3.383 1.00 41.44 C ATOM 400 C ASP A 27 8.697 -2.086 4.329 1.00 51.54 C ATOM 401 O ASP A 27 8.418 -0.887 4.477 1.00 41.45 O ATOM 402 CB ASP A 27 9.855 -1.727 2.044 1.00 13.42 C ATOM 403 CG ASP A 27 10.248 -0.243 2.207 1.00 30.22 C ATOM 404 OD1 ASP A 27 11.253 0.045 2.900 1.00 54.21 O ATOM 405 OD2 ASP A 27 9.576 0.634 1.640 1.00 1.04 O ATOM 0 H ASP A 27 9.402 -4.223 2.225 1.00 60.44 H new ATOM 0 HA ASP A 27 10.775 -2.280 3.938 1.00 41.44 H new ATOM 0 HB2 ASP A 27 10.541 -2.202 1.343 1.00 13.42 H new ATOM 0 HB3 ASP A 27 8.859 -1.786 1.605 1.00 13.42 H new ATOM 410 N MET A 28 8.031 -3.062 4.981 1.00 21.24 N ATOM 411 CA MET A 28 7.019 -2.782 6.039 1.00 3.51 C ATOM 412 C MET A 28 7.605 -1.935 7.206 1.00 22.12 C ATOM 413 O MET A 28 8.348 -2.447 8.050 1.00 24.10 O ATOM 414 CB MET A 28 6.413 -4.111 6.576 1.00 0.31 C ATOM 415 CG MET A 28 5.390 -4.752 5.634 1.00 21.30 C ATOM 416 SD MET A 28 3.975 -3.666 5.336 1.00 5.31 S ATOM 417 CE MET A 28 3.299 -3.444 6.990 1.00 34.43 C ATOM 0 H MET A 28 8.172 -4.055 4.798 1.00 21.24 H new ATOM 0 HA MET A 28 6.227 -2.190 5.581 1.00 3.51 H new ATOM 0 HB2 MET A 28 7.221 -4.820 6.756 1.00 0.31 H new ATOM 0 HB3 MET A 28 5.937 -3.919 7.537 1.00 0.31 H new ATOM 0 HG2 MET A 28 5.870 -4.991 4.685 1.00 21.30 H new ATOM 0 HG3 MET A 28 5.042 -5.692 6.061 1.00 21.30 H new ATOM 0 HE1 MET A 28 2.224 -3.623 6.971 1.00 34.43 H new ATOM 0 HE2 MET A 28 3.772 -4.149 7.674 1.00 34.43 H new ATOM 0 HE3 MET A 28 3.491 -2.426 7.328 1.00 34.43 H new ATOM 427 N GLY A 29 7.249 -0.637 7.230 1.00 24.34 N ATOM 428 CA GLY A 29 7.743 0.304 8.240 1.00 23.53 C ATOM 429 C GLY A 29 7.418 1.763 7.894 1.00 63.30 C ATOM 430 O GLY A 29 6.407 2.040 7.234 1.00 72.41 O ATOM 0 H GLY A 29 6.614 -0.217 6.551 1.00 24.34 H new ATOM 0 HA2 GLY A 29 7.305 0.057 9.207 1.00 23.53 H new ATOM 0 HA3 GLY A 29 8.822 0.190 8.341 1.00 23.53 H new ATOM 434 N LYS A 30 8.311 2.683 8.314 1.00 12.22 N ATOM 435 CA LYS A 30 8.134 4.159 8.177 1.00 61.13 C ATOM 436 C LYS A 30 7.882 4.630 6.721 1.00 64.13 C ATOM 437 O LYS A 30 7.172 5.618 6.503 1.00 2.13 O ATOM 438 CB LYS A 30 9.373 4.892 8.765 1.00 55.01 C ATOM 439 CG LYS A 30 10.726 4.517 8.107 1.00 13.20 C ATOM 440 CD LYS A 30 11.941 5.145 8.839 1.00 71.32 C ATOM 441 CE LYS A 30 11.988 6.685 8.750 1.00 4.53 C ATOM 442 NZ LYS A 30 12.264 7.168 7.370 1.00 53.41 N ATOM 0 H LYS A 30 9.189 2.427 8.765 1.00 12.22 H new ATOM 0 HA LYS A 30 7.235 4.414 8.737 1.00 61.13 H new ATOM 0 HB2 LYS A 30 9.222 5.967 8.665 1.00 55.01 H new ATOM 0 HB3 LYS A 30 9.432 4.676 9.832 1.00 55.01 H new ATOM 0 HG2 LYS A 30 10.833 3.432 8.098 1.00 13.20 H new ATOM 0 HG3 LYS A 30 10.723 4.845 7.068 1.00 13.20 H new ATOM 0 HD2 LYS A 30 11.914 4.851 9.888 1.00 71.32 H new ATOM 0 HD3 LYS A 30 12.859 4.737 8.417 1.00 71.32 H new ATOM 0 HE2 LYS A 30 11.037 7.095 9.091 1.00 4.53 H new ATOM 0 HE3 LYS A 30 12.758 7.061 9.424 1.00 4.53 H new ATOM 0 HZ1 LYS A 30 12.285 8.208 7.364 1.00 53.41 H new ATOM 0 HZ2 LYS A 30 13.183 6.801 7.051 1.00 53.41 H new ATOM 0 HZ3 LYS A 30 11.516 6.833 6.729 1.00 53.41 H new ATOM 456 N SER A 31 8.459 3.914 5.742 1.00 65.12 N ATOM 457 CA SER A 31 8.335 4.260 4.308 1.00 31.23 C ATOM 458 C SER A 31 6.895 4.041 3.793 1.00 54.13 C ATOM 459 O SER A 31 6.373 4.861 3.029 1.00 75.02 O ATOM 460 CB SER A 31 9.334 3.436 3.476 1.00 65.30 C ATOM 461 OG SER A 31 10.666 3.647 3.917 1.00 51.53 O ATOM 0 H SER A 31 9.023 3.082 5.916 1.00 65.12 H new ATOM 0 HA SER A 31 8.567 5.319 4.198 1.00 31.23 H new ATOM 0 HB2 SER A 31 9.087 2.377 3.551 1.00 65.30 H new ATOM 0 HB3 SER A 31 9.249 3.710 2.424 1.00 65.30 H new ATOM 0 HG SER A 31 11.280 3.111 3.373 1.00 51.53 H new ATOM 467 N VAL A 32 6.268 2.912 4.196 1.00 45.23 N ATOM 468 CA VAL A 32 4.832 2.643 3.924 1.00 64.21 C ATOM 469 C VAL A 32 3.955 3.735 4.590 1.00 22.34 C ATOM 470 O VAL A 32 3.128 4.384 3.934 1.00 75.32 O ATOM 471 CB VAL A 32 4.394 1.221 4.456 1.00 15.11 C ATOM 472 CG1 VAL A 32 2.913 0.918 4.123 1.00 33.02 C ATOM 473 CG2 VAL A 32 5.317 0.100 3.916 1.00 60.31 C ATOM 0 H VAL A 32 6.735 2.167 4.714 1.00 45.23 H new ATOM 0 HA VAL A 32 4.691 2.660 2.843 1.00 64.21 H new ATOM 0 HB VAL A 32 4.495 1.244 5.541 1.00 15.11 H new ATOM 0 HG11 VAL A 32 2.649 -0.068 4.505 1.00 33.02 H new ATOM 0 HG12 VAL A 32 2.275 1.670 4.587 1.00 33.02 H new ATOM 0 HG13 VAL A 32 2.771 0.939 3.042 1.00 33.02 H new ATOM 0 HG21 VAL A 32 4.985 -0.863 4.303 1.00 60.31 H new ATOM 0 HG22 VAL A 32 5.275 0.087 2.827 1.00 60.31 H new ATOM 0 HG23 VAL A 32 6.342 0.286 4.237 1.00 60.31 H new ATOM 483 N MET A 33 4.190 3.914 5.903 1.00 32.12 N ATOM 484 CA MET A 33 3.501 4.915 6.746 1.00 24.22 C ATOM 485 C MET A 33 3.476 6.332 6.142 1.00 1.33 C ATOM 486 O MET A 33 2.442 6.987 6.161 1.00 51.44 O ATOM 487 CB MET A 33 4.135 4.976 8.163 1.00 34.50 C ATOM 488 CG MET A 33 4.009 3.671 8.950 1.00 63.00 C ATOM 489 SD MET A 33 2.326 3.010 8.920 1.00 54.33 S ATOM 490 CE MET A 33 1.394 4.369 9.614 1.00 14.13 C ATOM 0 H MET A 33 4.874 3.360 6.418 1.00 32.12 H new ATOM 0 HA MET A 33 2.467 4.575 6.806 1.00 24.22 H new ATOM 0 HB2 MET A 33 5.190 5.232 8.068 1.00 34.50 H new ATOM 0 HB3 MET A 33 3.662 5.778 8.729 1.00 34.50 H new ATOM 0 HG2 MET A 33 4.695 2.932 8.535 1.00 63.00 H new ATOM 0 HG3 MET A 33 4.311 3.842 9.983 1.00 63.00 H new ATOM 0 HE1 MET A 33 0.385 4.033 9.854 1.00 14.13 H new ATOM 0 HE2 MET A 33 1.885 4.721 10.521 1.00 14.13 H new ATOM 0 HE3 MET A 33 1.343 5.182 8.890 1.00 14.13 H new ATOM 500 N GLU A 34 4.616 6.784 5.598 1.00 32.10 N ATOM 501 CA GLU A 34 4.773 8.171 5.103 1.00 33.11 C ATOM 502 C GLU A 34 3.939 8.446 3.826 1.00 62.52 C ATOM 503 O GLU A 34 3.479 9.571 3.609 1.00 70.51 O ATOM 504 CB GLU A 34 6.267 8.484 4.872 1.00 11.14 C ATOM 505 CG GLU A 34 6.565 9.963 4.531 1.00 34.45 C ATOM 506 CD GLU A 34 8.046 10.320 4.673 1.00 63.41 C ATOM 507 OE1 GLU A 34 8.518 10.364 5.829 1.00 63.01 O ATOM 508 OE2 GLU A 34 8.735 10.551 3.657 1.00 52.10 O ATOM 0 H GLU A 34 5.451 6.209 5.487 1.00 32.10 H new ATOM 0 HA GLU A 34 4.384 8.839 5.871 1.00 33.11 H new ATOM 0 HB2 GLU A 34 6.826 8.211 5.767 1.00 11.14 H new ATOM 0 HB3 GLU A 34 6.636 7.856 4.062 1.00 11.14 H new ATOM 0 HG2 GLU A 34 6.244 10.167 3.510 1.00 34.45 H new ATOM 0 HG3 GLU A 34 5.977 10.607 5.185 1.00 34.45 H new ATOM 515 N THR A 35 3.744 7.411 2.992 1.00 3.11 N ATOM 516 CA THR A 35 2.874 7.504 1.796 1.00 11.10 C ATOM 517 C THR A 35 1.375 7.602 2.215 1.00 50.33 C ATOM 518 O THR A 35 0.594 8.349 1.607 1.00 73.11 O ATOM 519 CB THR A 35 3.100 6.287 0.837 1.00 53.04 C ATOM 520 OG1 THR A 35 4.506 6.141 0.538 1.00 3.34 O ATOM 521 CG2 THR A 35 2.319 6.431 -0.484 1.00 21.04 C ATOM 0 H THR A 35 4.176 6.496 3.120 1.00 3.11 H new ATOM 0 HA THR A 35 3.142 8.411 1.255 1.00 11.10 H new ATOM 0 HB THR A 35 2.730 5.403 1.356 1.00 53.04 H new ATOM 0 HG1 THR A 35 4.612 5.713 -0.337 1.00 3.34 H new ATOM 0 HG21 THR A 35 2.508 5.563 -1.115 1.00 21.04 H new ATOM 0 HG22 THR A 35 1.252 6.499 -0.270 1.00 21.04 H new ATOM 0 HG23 THR A 35 2.643 7.334 -1.002 1.00 21.04 H new ATOM 529 N VAL A 36 1.002 6.861 3.288 1.00 61.31 N ATOM 530 CA VAL A 36 -0.335 6.974 3.938 1.00 3.41 C ATOM 531 C VAL A 36 -0.546 8.409 4.499 1.00 65.10 C ATOM 532 O VAL A 36 -1.600 9.013 4.305 1.00 34.22 O ATOM 533 CB VAL A 36 -0.508 5.914 5.101 1.00 0.44 C ATOM 534 CG1 VAL A 36 -1.893 6.026 5.796 1.00 25.21 C ATOM 535 CG2 VAL A 36 -0.268 4.471 4.589 1.00 73.51 C ATOM 0 H VAL A 36 1.612 6.172 3.727 1.00 61.31 H new ATOM 0 HA VAL A 36 -1.088 6.769 3.177 1.00 3.41 H new ATOM 0 HB VAL A 36 0.251 6.143 5.849 1.00 0.44 H new ATOM 0 HG11 VAL A 36 -1.965 5.279 6.586 1.00 25.21 H new ATOM 0 HG12 VAL A 36 -2.005 7.021 6.226 1.00 25.21 H new ATOM 0 HG13 VAL A 36 -2.682 5.856 5.064 1.00 25.21 H new ATOM 0 HG21 VAL A 36 -0.394 3.767 5.412 1.00 73.51 H new ATOM 0 HG22 VAL A 36 -0.985 4.241 3.801 1.00 73.51 H new ATOM 0 HG23 VAL A 36 0.744 4.389 4.194 1.00 73.51 H new ATOM 545 N ILE A 37 0.503 8.937 5.159 1.00 52.33 N ATOM 546 CA ILE A 37 0.543 10.323 5.699 1.00 3.30 C ATOM 547 C ILE A 37 0.364 11.371 4.571 1.00 61.11 C ATOM 548 O ILE A 37 -0.358 12.360 4.735 1.00 73.12 O ATOM 549 CB ILE A 37 1.917 10.581 6.445 1.00 43.23 C ATOM 550 CG1 ILE A 37 2.040 9.697 7.726 1.00 20.25 C ATOM 551 CG2 ILE A 37 2.145 12.074 6.787 1.00 51.44 C ATOM 552 CD1 ILE A 37 3.395 9.782 8.415 1.00 73.34 C ATOM 0 H ILE A 37 1.359 8.413 5.338 1.00 52.33 H new ATOM 0 HA ILE A 37 -0.281 10.428 6.404 1.00 3.30 H new ATOM 0 HB ILE A 37 2.702 10.293 5.746 1.00 43.23 H new ATOM 0 HG12 ILE A 37 1.266 9.993 8.434 1.00 20.25 H new ATOM 0 HG13 ILE A 37 1.846 8.659 7.457 1.00 20.25 H new ATOM 0 HG21 ILE A 37 3.102 12.189 7.297 1.00 51.44 H new ATOM 0 HG22 ILE A 37 2.151 12.661 5.869 1.00 51.44 H new ATOM 0 HG23 ILE A 37 1.343 12.425 7.437 1.00 51.44 H new ATOM 0 HD11 ILE A 37 3.397 9.139 9.295 1.00 73.34 H new ATOM 0 HD12 ILE A 37 4.175 9.457 7.726 1.00 73.34 H new ATOM 0 HD13 ILE A 37 3.585 10.812 8.718 1.00 73.34 H new ATOM 564 N ALA A 38 1.014 11.114 3.416 1.00 71.33 N ATOM 565 CA ALA A 38 1.011 12.026 2.251 1.00 75.33 C ATOM 566 C ALA A 38 -0.409 12.198 1.658 1.00 72.04 C ATOM 567 O ALA A 38 -0.787 13.295 1.245 1.00 50.50 O ATOM 568 CB ALA A 38 1.988 11.503 1.182 1.00 5.12 C ATOM 0 H ALA A 38 1.558 10.265 3.264 1.00 71.33 H new ATOM 0 HA ALA A 38 1.338 13.010 2.588 1.00 75.33 H new ATOM 0 HB1 ALA A 38 1.984 12.176 0.325 1.00 5.12 H new ATOM 0 HB2 ALA A 38 2.993 11.454 1.601 1.00 5.12 H new ATOM 0 HB3 ALA A 38 1.679 10.508 0.863 1.00 5.12 H new ATOM 574 N PHE A 39 -1.186 11.098 1.634 1.00 72.32 N ATOM 575 CA PHE A 39 -2.583 11.106 1.128 1.00 54.33 C ATOM 576 C PHE A 39 -3.573 11.632 2.205 1.00 75.30 C ATOM 577 O PHE A 39 -4.548 12.318 1.878 1.00 42.01 O ATOM 578 CB PHE A 39 -3.018 9.684 0.671 1.00 22.50 C ATOM 579 CG PHE A 39 -2.171 9.029 -0.431 1.00 2.53 C ATOM 580 CD1 PHE A 39 -1.641 9.772 -1.486 1.00 0.03 C ATOM 581 CD2 PHE A 39 -1.934 7.651 -0.418 1.00 64.22 C ATOM 582 CE1 PHE A 39 -0.894 9.161 -2.481 1.00 64.10 C ATOM 583 CE2 PHE A 39 -1.192 7.043 -1.413 1.00 70.13 C ATOM 584 CZ PHE A 39 -0.674 7.796 -2.444 1.00 53.41 C ATOM 0 H PHE A 39 -0.872 10.184 1.960 1.00 72.32 H new ATOM 0 HA PHE A 39 -2.611 11.779 0.271 1.00 54.33 H new ATOM 0 HB2 PHE A 39 -3.011 9.029 1.542 1.00 22.50 H new ATOM 0 HB3 PHE A 39 -4.049 9.738 0.322 1.00 22.50 H new ATOM 0 HD1 PHE A 39 -1.815 10.837 -1.528 1.00 0.03 H new ATOM 0 HD2 PHE A 39 -2.338 7.051 0.384 1.00 64.22 H new ATOM 0 HE1 PHE A 39 -0.483 9.752 -3.286 1.00 64.10 H new ATOM 0 HE2 PHE A 39 -1.018 5.978 -1.382 1.00 70.13 H new ATOM 0 HZ PHE A 39 -0.096 7.321 -3.223 1.00 53.41 H new ATOM 594 N ALA A 40 -3.300 11.302 3.489 1.00 20.33 N ATOM 595 CA ALA A 40 -4.180 11.657 4.638 1.00 13.24 C ATOM 596 C ALA A 40 -4.179 13.172 4.937 1.00 63.21 C ATOM 597 O ALA A 40 -5.230 13.761 5.206 1.00 24.40 O ATOM 598 CB ALA A 40 -3.750 10.878 5.894 1.00 40.21 C ATOM 0 H ALA A 40 -2.466 10.783 3.762 1.00 20.33 H new ATOM 0 HA ALA A 40 -5.197 11.380 4.359 1.00 13.24 H new ATOM 0 HB1 ALA A 40 -4.399 11.145 6.728 1.00 40.21 H new ATOM 0 HB2 ALA A 40 -3.827 9.808 5.702 1.00 40.21 H new ATOM 0 HB3 ALA A 40 -2.719 11.129 6.143 1.00 40.21 H new ATOM 604 N ASN A 41 -2.978 13.783 4.905 1.00 34.42 N ATOM 605 CA ASN A 41 -2.798 15.231 5.162 1.00 11.13 C ATOM 606 C ASN A 41 -3.213 16.093 3.953 1.00 52.41 C ATOM 607 O ASN A 41 -3.562 17.266 4.123 1.00 2.44 O ATOM 608 CB ASN A 41 -1.337 15.555 5.556 1.00 41.21 C ATOM 609 CG ASN A 41 -0.895 14.876 6.849 1.00 41.51 C ATOM 610 OD1 ASN A 41 -1.707 14.517 7.689 1.00 74.44 O ATOM 611 ND2 ASN A 41 0.399 14.755 7.046 1.00 22.51 N ATOM 0 H ASN A 41 -2.108 13.292 4.702 1.00 34.42 H new ATOM 0 HA ASN A 41 -3.455 15.479 5.996 1.00 11.13 H new ATOM 0 HB2 ASN A 41 -0.674 15.248 4.748 1.00 41.21 H new ATOM 0 HB3 ASN A 41 -1.228 16.634 5.665 1.00 41.21 H new ATOM 0 HD21 ASN A 41 0.747 14.353 7.917 1.00 22.51 H new ATOM 0 HD22 ASN A 41 1.055 15.063 6.328 1.00 22.51 H new ATOM 618 N GLU A 42 -3.174 15.504 2.747 1.00 1.03 N ATOM 619 CA GLU A 42 -3.534 16.203 1.499 1.00 71.53 C ATOM 620 C GLU A 42 -5.085 16.333 1.387 1.00 0.41 C ATOM 621 O GLU A 42 -5.771 15.312 1.236 1.00 13.20 O ATOM 622 CB GLU A 42 -2.940 15.445 0.279 1.00 72.52 C ATOM 623 CG GLU A 42 -2.977 16.222 -1.053 1.00 44.25 C ATOM 624 CD GLU A 42 -2.136 17.509 -1.030 1.00 24.14 C ATOM 625 OE1 GLU A 42 -0.893 17.423 -1.117 1.00 24.22 O ATOM 626 OE2 GLU A 42 -2.708 18.612 -0.904 1.00 13.11 O ATOM 0 H GLU A 42 -2.893 14.533 2.608 1.00 1.03 H new ATOM 0 HA GLU A 42 -3.113 17.208 1.511 1.00 71.53 H new ATOM 0 HB2 GLU A 42 -1.905 15.184 0.501 1.00 72.52 H new ATOM 0 HB3 GLU A 42 -3.484 14.509 0.152 1.00 72.52 H new ATOM 0 HG2 GLU A 42 -2.617 15.575 -1.853 1.00 44.25 H new ATOM 0 HG3 GLU A 42 -4.010 16.476 -1.289 1.00 44.25 H new ATOM 633 N PRO A 43 -5.655 17.586 1.511 1.00 41.34 N ATOM 634 CA PRO A 43 -7.131 17.823 1.531 1.00 42.24 C ATOM 635 C PRO A 43 -7.904 17.246 0.316 1.00 13.12 C ATOM 636 O PRO A 43 -7.663 17.636 -0.832 1.00 64.12 O ATOM 637 CB PRO A 43 -7.243 19.368 1.596 1.00 1.41 C ATOM 638 CG PRO A 43 -5.958 19.802 2.227 1.00 4.02 C ATOM 639 CD PRO A 43 -4.911 18.870 1.670 1.00 12.51 C ATOM 0 HA PRO A 43 -7.595 17.305 2.370 1.00 42.24 H new ATOM 0 HB2 PRO A 43 -7.365 19.801 0.603 1.00 1.41 H new ATOM 0 HB3 PRO A 43 -8.103 19.681 2.188 1.00 1.41 H new ATOM 0 HG2 PRO A 43 -5.731 20.840 1.984 1.00 4.02 H new ATOM 0 HG3 PRO A 43 -6.009 19.733 3.314 1.00 4.02 H new ATOM 0 HD2 PRO A 43 -4.517 19.228 0.719 1.00 12.51 H new ATOM 0 HD3 PRO A 43 -4.063 18.764 2.347 1.00 12.51 H new ATOM 647 N GLY A 44 -8.829 16.304 0.610 1.00 63.15 N ATOM 648 CA GLY A 44 -9.718 15.704 -0.391 1.00 73.31 C ATOM 649 C GLY A 44 -9.018 14.806 -1.415 1.00 12.14 C ATOM 650 O GLY A 44 -9.509 14.653 -2.537 1.00 74.13 O ATOM 0 H GLY A 44 -8.974 15.943 1.553 1.00 63.15 H new ATOM 0 HA2 GLY A 44 -10.480 15.119 0.124 1.00 73.31 H new ATOM 0 HA3 GLY A 44 -10.235 16.503 -0.923 1.00 73.31 H new ATOM 654 N LEU A 45 -7.869 14.203 -1.047 1.00 63.33 N ATOM 655 CA LEU A 45 -7.093 13.311 -1.954 1.00 10.23 C ATOM 656 C LEU A 45 -7.315 11.817 -1.560 1.00 11.33 C ATOM 657 O LEU A 45 -6.654 10.907 -2.078 1.00 53.31 O ATOM 658 CB LEU A 45 -5.585 13.751 -1.893 1.00 11.44 C ATOM 659 CG LEU A 45 -4.651 13.467 -3.138 1.00 12.23 C ATOM 660 CD1 LEU A 45 -4.035 12.055 -3.129 1.00 31.41 C ATOM 661 CD2 LEU A 45 -5.384 13.742 -4.468 1.00 34.25 C ATOM 0 H LEU A 45 -7.450 14.314 -0.124 1.00 63.33 H new ATOM 0 HA LEU A 45 -7.433 13.401 -2.986 1.00 10.23 H new ATOM 0 HB2 LEU A 45 -5.563 14.824 -1.703 1.00 11.44 H new ATOM 0 HB3 LEU A 45 -5.135 13.265 -1.027 1.00 11.44 H new ATOM 0 HG LEU A 45 -3.819 14.166 -3.052 1.00 12.23 H new ATOM 0 HD11 LEU A 45 -3.406 11.927 -4.010 1.00 31.41 H new ATOM 0 HD12 LEU A 45 -3.431 11.927 -2.231 1.00 31.41 H new ATOM 0 HD13 LEU A 45 -4.831 11.311 -3.140 1.00 31.41 H new ATOM 0 HD21 LEU A 45 -4.713 13.537 -5.302 1.00 34.25 H new ATOM 0 HD22 LEU A 45 -6.261 13.098 -4.540 1.00 34.25 H new ATOM 0 HD23 LEU A 45 -5.697 14.786 -4.502 1.00 34.25 H new ATOM 673 N ASP A 46 -8.273 11.581 -0.637 1.00 62.31 N ATOM 674 CA ASP A 46 -8.730 10.224 -0.250 1.00 35.44 C ATOM 675 C ASP A 46 -9.118 9.357 -1.486 1.00 43.12 C ATOM 676 O ASP A 46 -9.717 9.848 -2.452 1.00 70.13 O ATOM 677 CB ASP A 46 -9.896 10.313 0.761 1.00 53.02 C ATOM 678 CG ASP A 46 -11.118 11.084 0.239 1.00 72.21 C ATOM 679 OD1 ASP A 46 -11.037 12.326 0.099 1.00 51.23 O ATOM 680 OD2 ASP A 46 -12.163 10.455 -0.027 1.00 31.42 O ATOM 0 H ASP A 46 -8.754 12.328 -0.136 1.00 62.31 H new ATOM 0 HA ASP A 46 -7.891 9.722 0.232 1.00 35.44 H new ATOM 0 HB2 ASP A 46 -10.205 9.304 1.033 1.00 53.02 H new ATOM 0 HB3 ASP A 46 -9.538 10.793 1.672 1.00 53.02 H new ATOM 685 N GLY A 47 -8.776 8.063 -1.425 1.00 24.53 N ATOM 686 CA GLY A 47 -8.800 7.175 -2.602 1.00 61.43 C ATOM 687 C GLY A 47 -7.427 6.553 -2.858 1.00 64.12 C ATOM 688 O GLY A 47 -7.331 5.481 -3.434 1.00 54.42 O ATOM 0 H GLY A 47 -8.476 7.602 -0.566 1.00 24.53 H new ATOM 0 HA2 GLY A 47 -9.536 6.386 -2.450 1.00 61.43 H new ATOM 0 HA3 GLY A 47 -9.115 7.740 -3.480 1.00 61.43 H new ATOM 692 N GLY A 48 -6.375 7.297 -2.475 1.00 13.23 N ATOM 693 CA GLY A 48 -4.978 6.819 -2.549 1.00 73.34 C ATOM 694 C GLY A 48 -4.745 5.420 -1.929 1.00 1.40 C ATOM 695 O GLY A 48 -5.034 5.199 -0.749 1.00 3.52 O ATOM 0 H GLY A 48 -6.465 8.244 -2.106 1.00 13.23 H new ATOM 0 HA2 GLY A 48 -4.670 6.795 -3.594 1.00 73.34 H new ATOM 0 HA3 GLY A 48 -4.334 7.538 -2.044 1.00 73.34 H new ATOM 699 N TYR A 49 -4.229 4.476 -2.755 1.00 62.14 N ATOM 700 CA TYR A 49 -4.021 3.052 -2.364 1.00 51.54 C ATOM 701 C TYR A 49 -2.525 2.665 -2.321 1.00 70.14 C ATOM 702 O TYR A 49 -1.730 3.094 -3.157 1.00 51.34 O ATOM 703 CB TYR A 49 -4.744 2.096 -3.347 1.00 74.03 C ATOM 704 CG TYR A 49 -6.283 2.131 -3.291 1.00 22.14 C ATOM 705 CD1 TYR A 49 -6.971 1.600 -2.202 1.00 54.14 C ATOM 706 CD2 TYR A 49 -7.043 2.665 -4.334 1.00 24.32 C ATOM 707 CE1 TYR A 49 -8.346 1.595 -2.163 1.00 51.11 C ATOM 708 CE2 TYR A 49 -8.422 2.664 -4.292 1.00 65.24 C ATOM 709 CZ TYR A 49 -9.066 2.132 -3.205 1.00 45.01 C ATOM 710 OH TYR A 49 -10.442 2.131 -3.152 1.00 74.10 O ATOM 0 H TYR A 49 -3.944 4.677 -3.713 1.00 62.14 H new ATOM 0 HA TYR A 49 -4.438 2.951 -1.362 1.00 51.54 H new ATOM 0 HB2 TYR A 49 -4.429 2.339 -4.362 1.00 74.03 H new ATOM 0 HB3 TYR A 49 -4.413 1.077 -3.146 1.00 74.03 H new ATOM 0 HD1 TYR A 49 -6.415 1.185 -1.374 1.00 54.14 H new ATOM 0 HD2 TYR A 49 -6.541 3.088 -5.192 1.00 24.32 H new ATOM 0 HE1 TYR A 49 -8.860 1.169 -1.314 1.00 51.11 H new ATOM 0 HE2 TYR A 49 -8.991 3.080 -5.111 1.00 65.24 H new ATOM 0 HH TYR A 49 -10.801 2.547 -3.964 1.00 74.10 H new ATOM 720 N LEU A 50 -2.166 1.825 -1.331 1.00 45.32 N ATOM 721 CA LEU A 50 -0.836 1.171 -1.231 1.00 41.20 C ATOM 722 C LEU A 50 -1.020 -0.364 -1.324 1.00 1.12 C ATOM 723 O LEU A 50 -1.839 -0.933 -0.599 1.00 61.52 O ATOM 724 CB LEU A 50 -0.114 1.517 0.109 1.00 54.42 C ATOM 725 CG LEU A 50 0.257 3.018 0.378 1.00 10.14 C ATOM 726 CD1 LEU A 50 -0.974 3.897 0.712 1.00 51.55 C ATOM 727 CD2 LEU A 50 1.318 3.122 1.493 1.00 75.11 C ATOM 0 H LEU A 50 -2.794 1.575 -0.567 1.00 45.32 H new ATOM 0 HA LEU A 50 -0.218 1.540 -2.050 1.00 41.20 H new ATOM 0 HB2 LEU A 50 -0.748 1.178 0.928 1.00 54.42 H new ATOM 0 HB3 LEU A 50 0.805 0.932 0.154 1.00 54.42 H new ATOM 0 HG LEU A 50 0.673 3.408 -0.551 1.00 10.14 H new ATOM 0 HD11 LEU A 50 -0.651 4.923 0.888 1.00 51.55 H new ATOM 0 HD12 LEU A 50 -1.674 3.875 -0.123 1.00 51.55 H new ATOM 0 HD13 LEU A 50 -1.464 3.513 1.607 1.00 51.55 H new ATOM 0 HD21 LEU A 50 1.563 4.170 1.666 1.00 75.11 H new ATOM 0 HD22 LEU A 50 0.925 2.685 2.411 1.00 75.11 H new ATOM 0 HD23 LEU A 50 2.217 2.584 1.191 1.00 75.11 H new ATOM 739 N LEU A 51 -0.273 -1.026 -2.220 1.00 74.23 N ATOM 740 CA LEU A 51 -0.336 -2.496 -2.403 1.00 32.33 C ATOM 741 C LEU A 51 0.920 -3.154 -1.796 1.00 10.12 C ATOM 742 O LEU A 51 2.019 -3.020 -2.333 1.00 60.45 O ATOM 743 CB LEU A 51 -0.469 -2.864 -3.920 1.00 62.33 C ATOM 744 CG LEU A 51 -1.850 -2.589 -4.604 1.00 20.54 C ATOM 745 CD1 LEU A 51 -2.988 -3.294 -3.845 1.00 20.21 C ATOM 746 CD2 LEU A 51 -2.132 -1.081 -4.787 1.00 11.33 C ATOM 0 H LEU A 51 0.393 -0.565 -2.840 1.00 74.23 H new ATOM 0 HA LEU A 51 -1.219 -2.873 -1.887 1.00 32.33 H new ATOM 0 HB2 LEU A 51 0.295 -2.315 -4.469 1.00 62.33 H new ATOM 0 HB3 LEU A 51 -0.242 -3.924 -4.032 1.00 62.33 H new ATOM 0 HG LEU A 51 -1.801 -3.012 -5.607 1.00 20.54 H new ATOM 0 HD11 LEU A 51 -3.937 -3.088 -4.339 1.00 20.21 H new ATOM 0 HD12 LEU A 51 -2.809 -4.369 -3.837 1.00 20.21 H new ATOM 0 HD13 LEU A 51 -3.025 -2.925 -2.820 1.00 20.21 H new ATOM 0 HD21 LEU A 51 -3.102 -0.948 -5.266 1.00 11.33 H new ATOM 0 HD22 LEU A 51 -2.137 -0.591 -3.813 1.00 11.33 H new ATOM 0 HD23 LEU A 51 -1.356 -0.639 -5.411 1.00 11.33 H new ATOM 758 N LEU A 52 0.741 -3.875 -0.677 1.00 44.43 N ATOM 759 CA LEU A 52 1.841 -4.547 0.047 1.00 72.35 C ATOM 760 C LEU A 52 1.919 -6.038 -0.344 1.00 53.43 C ATOM 761 O LEU A 52 0.928 -6.773 -0.238 1.00 42.53 O ATOM 762 CB LEU A 52 1.626 -4.376 1.576 1.00 72.24 C ATOM 763 CG LEU A 52 1.567 -2.891 2.070 1.00 62.43 C ATOM 764 CD1 LEU A 52 1.219 -2.805 3.569 1.00 30.02 C ATOM 765 CD2 LEU A 52 2.889 -2.142 1.757 1.00 14.44 C ATOM 0 H LEU A 52 -0.173 -4.011 -0.245 1.00 44.43 H new ATOM 0 HA LEU A 52 2.791 -4.089 -0.228 1.00 72.35 H new ATOM 0 HB2 LEU A 52 0.698 -4.874 1.856 1.00 72.24 H new ATOM 0 HB3 LEU A 52 2.433 -4.887 2.101 1.00 72.24 H new ATOM 0 HG LEU A 52 0.766 -2.397 1.521 1.00 62.43 H new ATOM 0 HD11 LEU A 52 1.187 -1.760 3.876 1.00 30.02 H new ATOM 0 HD12 LEU A 52 0.246 -3.264 3.744 1.00 30.02 H new ATOM 0 HD13 LEU A 52 1.977 -3.330 4.149 1.00 30.02 H new ATOM 0 HD21 LEU A 52 2.817 -1.114 2.112 1.00 14.44 H new ATOM 0 HD22 LEU A 52 3.718 -2.642 2.258 1.00 14.44 H new ATOM 0 HD23 LEU A 52 3.062 -2.143 0.681 1.00 14.44 H new ATOM 777 N GLY A 53 3.114 -6.471 -0.788 1.00 20.23 N ATOM 778 CA GLY A 53 3.334 -7.835 -1.296 1.00 22.21 C ATOM 779 C GLY A 53 3.379 -7.891 -2.825 1.00 71.44 C ATOM 780 O GLY A 53 2.903 -8.849 -3.441 1.00 53.11 O ATOM 0 H GLY A 53 3.950 -5.887 -0.804 1.00 20.23 H new ATOM 0 HA2 GLY A 53 4.270 -8.222 -0.894 1.00 22.21 H new ATOM 0 HA3 GLY A 53 2.538 -8.486 -0.935 1.00 22.21 H new ATOM 784 N VAL A 54 3.934 -6.833 -3.441 1.00 4.20 N ATOM 785 CA VAL A 54 4.151 -6.766 -4.907 1.00 11.51 C ATOM 786 C VAL A 54 5.662 -6.731 -5.225 1.00 71.52 C ATOM 787 O VAL A 54 6.447 -6.119 -4.494 1.00 42.12 O ATOM 788 CB VAL A 54 3.453 -5.498 -5.541 1.00 21.51 C ATOM 789 CG1 VAL A 54 3.598 -5.466 -7.090 1.00 12.50 C ATOM 790 CG2 VAL A 54 1.965 -5.422 -5.134 1.00 15.51 C ATOM 0 H VAL A 54 4.246 -5.999 -2.943 1.00 4.20 H new ATOM 0 HA VAL A 54 3.704 -7.659 -5.343 1.00 11.51 H new ATOM 0 HB VAL A 54 3.966 -4.621 -5.145 1.00 21.51 H new ATOM 0 HG11 VAL A 54 3.104 -4.578 -7.483 1.00 12.50 H new ATOM 0 HG12 VAL A 54 4.655 -5.441 -7.356 1.00 12.50 H new ATOM 0 HG13 VAL A 54 3.137 -6.357 -7.517 1.00 12.50 H new ATOM 0 HG21 VAL A 54 1.509 -4.540 -5.584 1.00 15.51 H new ATOM 0 HG22 VAL A 54 1.447 -6.316 -5.481 1.00 15.51 H new ATOM 0 HG23 VAL A 54 1.888 -5.357 -4.049 1.00 15.51 H new ATOM 800 N ASP A 55 6.043 -7.387 -6.331 1.00 32.15 N ATOM 801 CA ASP A 55 7.406 -7.340 -6.893 1.00 50.40 C ATOM 802 C ASP A 55 7.305 -7.041 -8.396 1.00 52.10 C ATOM 803 O ASP A 55 6.536 -7.680 -9.118 1.00 15.24 O ATOM 804 CB ASP A 55 8.185 -8.671 -6.639 1.00 11.01 C ATOM 805 CG ASP A 55 9.202 -8.562 -5.493 1.00 24.23 C ATOM 806 OD1 ASP A 55 8.800 -8.558 -4.308 1.00 44.34 O ATOM 807 OD2 ASP A 55 10.414 -8.463 -5.779 1.00 41.52 O ATOM 0 H ASP A 55 5.406 -7.974 -6.870 1.00 32.15 H new ATOM 0 HA ASP A 55 7.969 -6.551 -6.394 1.00 50.40 H new ATOM 0 HB2 ASP A 55 7.473 -9.464 -6.411 1.00 11.01 H new ATOM 0 HB3 ASP A 55 8.705 -8.961 -7.552 1.00 11.01 H new ATOM 812 N TRP A 56 8.103 -6.077 -8.851 1.00 21.44 N ATOM 813 CA TRP A 56 8.071 -5.572 -10.240 1.00 4.14 C ATOM 814 C TRP A 56 9.349 -5.970 -11.008 1.00 25.50 C ATOM 815 O TRP A 56 10.468 -5.779 -10.524 1.00 31.24 O ATOM 816 CB TRP A 56 7.831 -4.032 -10.252 1.00 64.01 C ATOM 817 CG TRP A 56 8.639 -3.258 -9.226 1.00 65.20 C ATOM 818 CD1 TRP A 56 9.847 -2.635 -9.403 1.00 14.23 C ATOM 819 CD2 TRP A 56 8.281 -3.043 -7.851 1.00 43.30 C ATOM 820 NE1 TRP A 56 10.253 -2.059 -8.226 1.00 41.03 N ATOM 821 CE2 TRP A 56 9.312 -2.295 -7.259 1.00 72.51 C ATOM 822 CE3 TRP A 56 7.183 -3.419 -7.066 1.00 41.44 C ATOM 823 CZ2 TRP A 56 9.280 -1.913 -5.920 1.00 52.42 C ATOM 824 CZ3 TRP A 56 7.152 -3.042 -5.740 1.00 30.51 C ATOM 825 CH2 TRP A 56 8.196 -2.297 -5.177 1.00 23.15 C ATOM 0 H TRP A 56 8.800 -5.614 -8.268 1.00 21.44 H new ATOM 0 HA TRP A 56 7.235 -6.039 -10.762 1.00 4.14 H new ATOM 0 HB2 TRP A 56 8.067 -3.649 -11.245 1.00 64.01 H new ATOM 0 HB3 TRP A 56 6.772 -3.841 -10.080 1.00 64.01 H new ATOM 0 HD1 TRP A 56 10.398 -2.602 -10.332 1.00 14.23 H new ATOM 0 HE1 TRP A 56 11.119 -1.537 -8.092 1.00 41.03 H new ATOM 0 HE3 TRP A 56 6.375 -3.994 -7.492 1.00 41.44 H new ATOM 0 HZ2 TRP A 56 10.081 -1.335 -5.484 1.00 52.42 H new ATOM 0 HZ3 TRP A 56 6.310 -3.325 -5.126 1.00 30.51 H new ATOM 0 HH2 TRP A 56 8.145 -2.020 -4.135 1.00 23.15 H new ATOM 836 N ALA A 57 9.154 -6.516 -12.220 1.00 50.52 N ATOM 837 CA ALA A 57 10.221 -7.086 -13.061 1.00 22.34 C ATOM 838 C ALA A 57 10.357 -6.277 -14.370 1.00 13.25 C ATOM 839 O ALA A 57 9.364 -6.012 -15.050 1.00 71.51 O ATOM 840 CB ALA A 57 9.894 -8.560 -13.356 1.00 41.54 C ATOM 0 H ALA A 57 8.232 -6.575 -12.652 1.00 50.52 H new ATOM 0 HA ALA A 57 11.174 -7.033 -12.535 1.00 22.34 H new ATOM 0 HB1 ALA A 57 10.679 -8.989 -13.978 1.00 41.54 H new ATOM 0 HB2 ALA A 57 9.830 -9.113 -12.419 1.00 41.54 H new ATOM 0 HB3 ALA A 57 8.940 -8.623 -13.880 1.00 41.54 H new ATOM 846 N ILE A 58 11.591 -5.875 -14.703 1.00 20.12 N ATOM 847 CA ILE A 58 11.863 -4.975 -15.841 1.00 53.04 C ATOM 848 C ILE A 58 12.129 -5.766 -17.147 1.00 24.44 C ATOM 849 O ILE A 58 13.023 -6.621 -17.202 1.00 43.12 O ATOM 850 CB ILE A 58 13.077 -4.025 -15.522 1.00 24.13 C ATOM 851 CG1 ILE A 58 12.846 -3.275 -14.170 1.00 44.43 C ATOM 852 CG2 ILE A 58 13.336 -3.018 -16.673 1.00 10.14 C ATOM 853 CD1 ILE A 58 11.599 -2.398 -14.123 1.00 41.20 C ATOM 0 H ILE A 58 12.428 -6.161 -14.196 1.00 20.12 H new ATOM 0 HA ILE A 58 10.971 -4.368 -15.995 1.00 53.04 H new ATOM 0 HB ILE A 58 13.967 -4.647 -15.428 1.00 24.13 H new ATOM 0 HG12 ILE A 58 12.784 -4.012 -13.369 1.00 44.43 H new ATOM 0 HG13 ILE A 58 13.717 -2.653 -13.964 1.00 44.43 H new ATOM 0 HG21 ILE A 58 14.181 -2.380 -16.415 1.00 10.14 H new ATOM 0 HG22 ILE A 58 13.559 -3.563 -17.590 1.00 10.14 H new ATOM 0 HG23 ILE A 58 12.449 -2.402 -16.824 1.00 10.14 H new ATOM 0 HD11 ILE A 58 11.526 -1.921 -13.146 1.00 41.20 H new ATOM 0 HD12 ILE A 58 11.663 -1.633 -14.897 1.00 41.20 H new ATOM 0 HD13 ILE A 58 10.715 -3.013 -14.293 1.00 41.20 H new ATOM 865 N ASN A 59 11.335 -5.460 -18.188 1.00 12.01 N ATOM 866 CA ASN A 59 11.493 -6.032 -19.545 1.00 34.44 C ATOM 867 C ASN A 59 12.731 -5.457 -20.273 1.00 52.33 C ATOM 868 O ASN A 59 13.350 -4.487 -19.812 1.00 62.34 O ATOM 869 CB ASN A 59 10.215 -5.765 -20.393 1.00 12.54 C ATOM 870 CG ASN A 59 8.959 -6.445 -19.842 1.00 32.45 C ATOM 871 OD1 ASN A 59 9.027 -7.484 -19.200 1.00 62.23 O ATOM 872 ND2 ASN A 59 7.798 -5.882 -20.119 1.00 41.31 N ATOM 0 H ASN A 59 10.558 -4.804 -18.115 1.00 12.01 H new ATOM 0 HA ASN A 59 11.640 -7.106 -19.431 1.00 34.44 H new ATOM 0 HB2 ASN A 59 10.042 -4.690 -20.446 1.00 12.54 H new ATOM 0 HB3 ASN A 59 10.387 -6.110 -21.412 1.00 12.54 H new ATOM 0 HD21 ASN A 59 6.932 -6.313 -19.796 1.00 41.31 H new ATOM 0 HD22 ASN A 59 7.767 -5.015 -20.656 1.00 41.31 H new ATOM 879 N ASP A 60 13.072 -6.053 -21.432 1.00 33.44 N ATOM 880 CA ASP A 60 14.196 -5.588 -22.280 1.00 21.11 C ATOM 881 C ASP A 60 13.937 -4.162 -22.843 1.00 4.50 C ATOM 882 O ASP A 60 14.878 -3.422 -23.131 1.00 23.01 O ATOM 883 CB ASP A 60 14.436 -6.583 -23.437 1.00 4.32 C ATOM 884 CG ASP A 60 14.610 -8.032 -22.950 1.00 20.41 C ATOM 885 OD1 ASP A 60 15.734 -8.417 -22.564 1.00 71.40 O ATOM 886 OD2 ASP A 60 13.612 -8.784 -22.925 1.00 14.43 O ATOM 0 H ASP A 60 12.582 -6.865 -21.808 1.00 33.44 H new ATOM 0 HA ASP A 60 15.088 -5.541 -21.655 1.00 21.11 H new ATOM 0 HB2 ASP A 60 13.597 -6.536 -24.131 1.00 4.32 H new ATOM 0 HB3 ASP A 60 15.325 -6.281 -23.991 1.00 4.32 H new ATOM 891 N LYS A 61 12.640 -3.787 -22.974 1.00 3.53 N ATOM 892 CA LYS A 61 12.219 -2.428 -23.411 1.00 31.10 C ATOM 893 C LYS A 61 12.309 -1.385 -22.254 1.00 72.02 C ATOM 894 O LYS A 61 12.013 -0.206 -22.462 1.00 75.44 O ATOM 895 CB LYS A 61 10.757 -2.428 -23.960 1.00 14.42 C ATOM 896 CG LYS A 61 10.456 -3.373 -25.159 1.00 30.32 C ATOM 897 CD LYS A 61 10.069 -4.813 -24.737 1.00 41.13 C ATOM 898 CE LYS A 61 9.505 -5.636 -25.912 1.00 42.52 C ATOM 899 NZ LYS A 61 9.012 -6.970 -25.483 1.00 21.22 N ATOM 0 H LYS A 61 11.858 -4.413 -22.781 1.00 3.53 H new ATOM 0 HA LYS A 61 12.910 -2.144 -24.204 1.00 31.10 H new ATOM 0 HB2 LYS A 61 10.087 -2.694 -23.142 1.00 14.42 H new ATOM 0 HB3 LYS A 61 10.507 -1.410 -24.259 1.00 14.42 H new ATOM 0 HG2 LYS A 61 9.646 -2.947 -25.751 1.00 30.32 H new ATOM 0 HG3 LYS A 61 11.333 -3.417 -25.805 1.00 30.32 H new ATOM 0 HD2 LYS A 61 10.945 -5.318 -24.330 1.00 41.13 H new ATOM 0 HD3 LYS A 61 9.328 -4.768 -23.939 1.00 41.13 H new ATOM 0 HE2 LYS A 61 8.690 -5.084 -26.381 1.00 42.52 H new ATOM 0 HE3 LYS A 61 10.280 -5.764 -26.668 1.00 42.52 H new ATOM 0 HZ1 LYS A 61 8.643 -7.485 -26.307 1.00 21.22 H new ATOM 0 HZ2 LYS A 61 9.794 -7.509 -25.059 1.00 21.22 H new ATOM 0 HZ3 LYS A 61 8.254 -6.851 -24.781 1.00 21.22 H new ATOM 913 N GLY A 62 12.709 -1.832 -21.043 1.00 45.42 N ATOM 914 CA GLY A 62 12.713 -0.977 -19.840 1.00 12.31 C ATOM 915 C GLY A 62 11.313 -0.759 -19.251 1.00 13.13 C ATOM 916 O GLY A 62 11.024 0.301 -18.686 1.00 1.52 O ATOM 0 H GLY A 62 13.034 -2.784 -20.875 1.00 45.42 H new ATOM 0 HA2 GLY A 62 13.353 -1.429 -19.082 1.00 12.31 H new ATOM 0 HA3 GLY A 62 13.150 -0.010 -20.090 1.00 12.31 H new ATOM 920 N ASP A 63 10.449 -1.778 -19.384 1.00 3.25 N ATOM 921 CA ASP A 63 9.042 -1.719 -18.932 1.00 43.32 C ATOM 922 C ASP A 63 8.873 -2.379 -17.539 1.00 13.41 C ATOM 923 O ASP A 63 9.378 -3.472 -17.304 1.00 64.01 O ATOM 924 CB ASP A 63 8.142 -2.403 -19.987 1.00 71.22 C ATOM 925 CG ASP A 63 6.651 -2.365 -19.619 1.00 0.34 C ATOM 926 OD1 ASP A 63 6.072 -1.259 -19.580 1.00 4.34 O ATOM 927 OD2 ASP A 63 6.052 -3.434 -19.372 1.00 52.11 O ATOM 0 H ASP A 63 10.703 -2.670 -19.809 1.00 3.25 H new ATOM 0 HA ASP A 63 8.743 -0.676 -18.829 1.00 43.32 H new ATOM 0 HB2 ASP A 63 8.285 -1.914 -20.951 1.00 71.22 H new ATOM 0 HB3 ASP A 63 8.455 -3.440 -20.106 1.00 71.22 H new ATOM 932 N THR A 64 8.133 -1.710 -16.641 1.00 62.44 N ATOM 933 CA THR A 64 7.944 -2.155 -15.240 1.00 61.01 C ATOM 934 C THR A 64 6.668 -3.019 -15.104 1.00 0.24 C ATOM 935 O THR A 64 5.545 -2.505 -15.152 1.00 22.21 O ATOM 936 CB THR A 64 7.867 -0.927 -14.257 1.00 2.32 C ATOM 937 OG1 THR A 64 8.922 0.005 -14.555 1.00 41.21 O ATOM 938 CG2 THR A 64 7.983 -1.355 -12.777 1.00 43.11 C ATOM 0 H THR A 64 7.645 -0.842 -16.861 1.00 62.44 H new ATOM 0 HA THR A 64 8.809 -2.760 -14.970 1.00 61.01 H new ATOM 0 HB THR A 64 6.892 -0.462 -14.401 1.00 2.32 H new ATOM 0 HG1 THR A 64 8.868 0.767 -13.942 1.00 41.21 H new ATOM 0 HG21 THR A 64 7.925 -0.474 -12.138 1.00 43.11 H new ATOM 0 HG22 THR A 64 7.169 -2.037 -12.531 1.00 43.11 H new ATOM 0 HG23 THR A 64 8.937 -1.857 -12.617 1.00 43.11 H new ATOM 946 N VAL A 65 6.857 -4.337 -14.939 1.00 42.41 N ATOM 947 CA VAL A 65 5.755 -5.322 -14.834 1.00 43.00 C ATOM 948 C VAL A 65 5.488 -5.653 -13.351 1.00 73.33 C ATOM 949 O VAL A 65 6.301 -6.309 -12.711 1.00 22.11 O ATOM 950 CB VAL A 65 6.111 -6.642 -15.620 1.00 44.42 C ATOM 951 CG1 VAL A 65 5.005 -7.723 -15.490 1.00 63.54 C ATOM 952 CG2 VAL A 65 6.412 -6.322 -17.102 1.00 62.21 C ATOM 0 H VAL A 65 7.784 -4.758 -14.873 1.00 42.41 H new ATOM 0 HA VAL A 65 4.858 -4.887 -15.275 1.00 43.00 H new ATOM 0 HB VAL A 65 7.009 -7.061 -15.165 1.00 44.42 H new ATOM 0 HG11 VAL A 65 5.298 -8.612 -16.049 1.00 63.54 H new ATOM 0 HG12 VAL A 65 4.871 -7.982 -14.440 1.00 63.54 H new ATOM 0 HG13 VAL A 65 4.068 -7.335 -15.890 1.00 63.54 H new ATOM 0 HG21 VAL A 65 6.656 -7.243 -17.631 1.00 62.21 H new ATOM 0 HG22 VAL A 65 5.537 -5.862 -17.560 1.00 62.21 H new ATOM 0 HG23 VAL A 65 7.256 -5.635 -17.162 1.00 62.21 H new ATOM 962 N TYR A 66 4.328 -5.245 -12.824 1.00 14.21 N ATOM 963 CA TYR A 66 3.986 -5.437 -11.400 1.00 0.24 C ATOM 964 C TYR A 66 3.265 -6.791 -11.220 1.00 34.45 C ATOM 965 O TYR A 66 2.175 -7.011 -11.766 1.00 71.12 O ATOM 966 CB TYR A 66 3.094 -4.274 -10.890 1.00 32.12 C ATOM 967 CG TYR A 66 3.785 -2.901 -10.864 1.00 33.21 C ATOM 968 CD1 TYR A 66 3.886 -2.112 -12.014 1.00 3.22 C ATOM 969 CD2 TYR A 66 4.321 -2.384 -9.679 1.00 30.53 C ATOM 970 CE1 TYR A 66 4.492 -0.868 -11.982 1.00 21.13 C ATOM 971 CE2 TYR A 66 4.925 -1.140 -9.645 1.00 31.33 C ATOM 972 CZ TYR A 66 5.008 -0.387 -10.796 1.00 53.42 C ATOM 973 OH TYR A 66 5.610 0.855 -10.762 1.00 65.52 O ATOM 0 H TYR A 66 3.601 -4.775 -13.364 1.00 14.21 H new ATOM 0 HA TYR A 66 4.904 -5.440 -10.812 1.00 0.24 H new ATOM 0 HB2 TYR A 66 2.209 -4.209 -11.522 1.00 32.12 H new ATOM 0 HB3 TYR A 66 2.750 -4.512 -9.883 1.00 32.12 H new ATOM 0 HD1 TYR A 66 3.483 -2.481 -12.946 1.00 3.22 H new ATOM 0 HD2 TYR A 66 4.262 -2.968 -8.773 1.00 30.53 H new ATOM 0 HE1 TYR A 66 4.561 -0.276 -12.882 1.00 21.13 H new ATOM 0 HE2 TYR A 66 5.330 -0.760 -8.719 1.00 31.33 H new ATOM 0 HH TYR A 66 5.919 1.044 -9.851 1.00 65.52 H new ATOM 983 N ARG A 67 3.909 -7.704 -10.476 1.00 34.21 N ATOM 984 CA ARG A 67 3.424 -9.081 -10.251 1.00 12.30 C ATOM 985 C ARG A 67 3.111 -9.325 -8.746 1.00 52.32 C ATOM 986 O ARG A 67 3.895 -8.924 -7.875 1.00 53.53 O ATOM 987 CB ARG A 67 4.499 -10.091 -10.749 1.00 45.44 C ATOM 988 CG ARG A 67 4.166 -11.581 -10.488 1.00 53.14 C ATOM 989 CD ARG A 67 5.293 -12.531 -10.921 1.00 30.20 C ATOM 990 NE ARG A 67 5.049 -13.917 -10.467 1.00 21.41 N ATOM 991 CZ ARG A 67 5.919 -14.688 -9.847 1.00 54.43 C ATOM 992 NH1 ARG A 67 7.129 -14.295 -9.608 1.00 62.24 N ATOM 993 NH2 ARG A 67 5.566 -15.875 -9.480 1.00 41.42 N ATOM 0 H ARG A 67 4.793 -7.507 -10.006 1.00 34.21 H new ATOM 0 HA ARG A 67 2.499 -9.224 -10.810 1.00 12.30 H new ATOM 0 HB2 ARG A 67 4.642 -9.948 -11.820 1.00 45.44 H new ATOM 0 HB3 ARG A 67 5.448 -9.856 -10.267 1.00 45.44 H new ATOM 0 HG2 ARG A 67 3.967 -11.723 -9.426 1.00 53.14 H new ATOM 0 HG3 ARG A 67 3.252 -11.843 -11.022 1.00 53.14 H new ATOM 0 HD2 ARG A 67 5.384 -12.515 -12.007 1.00 30.20 H new ATOM 0 HD3 ARG A 67 6.241 -12.178 -10.516 1.00 30.20 H new ATOM 0 HE ARG A 67 4.126 -14.311 -10.650 1.00 21.41 H new ATOM 0 HH11 ARG A 67 7.431 -13.366 -9.902 1.00 62.24 H new ATOM 0 HH12 ARG A 67 7.780 -14.914 -9.126 1.00 62.24 H new ATOM 0 HH21 ARG A 67 4.621 -16.208 -9.671 1.00 41.42 H new ATOM 0 HH22 ARG A 67 6.232 -16.480 -8.999 1.00 41.42 H new ATOM 1007 N PRO A 68 1.958 -9.991 -8.420 1.00 4.02 N ATOM 1008 CA PRO A 68 1.618 -10.379 -7.029 1.00 1.33 C ATOM 1009 C PRO A 68 2.450 -11.592 -6.521 1.00 41.02 C ATOM 1010 O PRO A 68 2.155 -12.753 -6.831 1.00 52.32 O ATOM 1011 CB PRO A 68 0.115 -10.719 -7.135 1.00 3.45 C ATOM 1012 CG PRO A 68 -0.032 -11.247 -8.527 1.00 40.44 C ATOM 1013 CD PRO A 68 0.880 -10.391 -9.371 1.00 73.20 C ATOM 0 HA PRO A 68 1.841 -9.594 -6.306 1.00 1.33 H new ATOM 0 HB2 PRO A 68 -0.181 -11.460 -6.392 1.00 3.45 H new ATOM 0 HB3 PRO A 68 -0.507 -9.839 -6.973 1.00 3.45 H new ATOM 0 HG2 PRO A 68 0.252 -12.298 -8.582 1.00 40.44 H new ATOM 0 HG3 PRO A 68 -1.065 -11.177 -8.868 1.00 40.44 H new ATOM 0 HD2 PRO A 68 1.279 -10.946 -10.220 1.00 73.20 H new ATOM 0 HD3 PRO A 68 0.357 -9.523 -9.774 1.00 73.20 H new ATOM 1021 N VAL A 69 3.535 -11.299 -5.798 1.00 23.20 N ATOM 1022 CA VAL A 69 4.318 -12.330 -5.067 1.00 43.11 C ATOM 1023 C VAL A 69 3.686 -12.633 -3.684 1.00 3.12 C ATOM 1024 O VAL A 69 3.932 -13.692 -3.092 1.00 35.03 O ATOM 1025 CB VAL A 69 5.827 -11.909 -4.918 1.00 32.35 C ATOM 1026 CG1 VAL A 69 6.527 -11.917 -6.302 1.00 2.52 C ATOM 1027 CG2 VAL A 69 5.970 -10.527 -4.223 1.00 1.32 C ATOM 0 H VAL A 69 3.902 -10.353 -5.696 1.00 23.20 H new ATOM 0 HA VAL A 69 4.289 -13.245 -5.659 1.00 43.11 H new ATOM 0 HB VAL A 69 6.320 -12.641 -4.278 1.00 32.35 H new ATOM 0 HG11 VAL A 69 7.570 -11.624 -6.184 1.00 2.52 H new ATOM 0 HG12 VAL A 69 6.478 -12.919 -6.729 1.00 2.52 H new ATOM 0 HG13 VAL A 69 6.026 -11.214 -6.967 1.00 2.52 H new ATOM 0 HG21 VAL A 69 7.026 -10.270 -4.138 1.00 1.32 H new ATOM 0 HG22 VAL A 69 5.458 -9.768 -4.814 1.00 1.32 H new ATOM 0 HG23 VAL A 69 5.526 -10.572 -3.228 1.00 1.32 H new ATOM 1037 N GLY A 70 2.866 -11.685 -3.199 1.00 64.35 N ATOM 1038 CA GLY A 70 2.064 -11.862 -1.988 1.00 41.24 C ATOM 1039 C GLY A 70 2.826 -11.671 -0.674 1.00 63.42 C ATOM 1040 O GLY A 70 3.969 -11.200 -0.645 1.00 73.15 O ATOM 0 H GLY A 70 2.744 -10.774 -3.641 1.00 64.35 H new ATOM 0 HA2 GLY A 70 1.233 -11.157 -2.014 1.00 41.24 H new ATOM 0 HA3 GLY A 70 1.633 -12.863 -1.999 1.00 41.24 H new ATOM 1044 N LEU A 71 2.156 -12.046 0.419 1.00 1.11 N ATOM 1045 CA LEU A 71 2.670 -11.957 1.796 1.00 55.44 C ATOM 1046 C LEU A 71 2.752 -13.384 2.401 1.00 1.00 C ATOM 1047 O LEU A 71 1.765 -14.133 2.320 1.00 3.12 O ATOM 1048 CB LEU A 71 1.712 -11.068 2.641 1.00 41.33 C ATOM 1049 CG LEU A 71 1.532 -9.592 2.146 1.00 75.44 C ATOM 1050 CD1 LEU A 71 0.361 -8.896 2.876 1.00 75.45 C ATOM 1051 CD2 LEU A 71 2.845 -8.785 2.304 1.00 33.02 C ATOM 0 H LEU A 71 1.213 -12.432 0.373 1.00 1.11 H new ATOM 0 HA LEU A 71 3.665 -11.511 1.799 1.00 55.44 H new ATOM 0 HB2 LEU A 71 0.732 -11.545 2.665 1.00 41.33 H new ATOM 0 HB3 LEU A 71 2.080 -11.044 3.667 1.00 41.33 H new ATOM 0 HG LEU A 71 1.288 -9.627 1.084 1.00 75.44 H new ATOM 0 HD11 LEU A 71 0.261 -7.874 2.511 1.00 75.45 H new ATOM 0 HD12 LEU A 71 -0.563 -9.442 2.684 1.00 75.45 H new ATOM 0 HD13 LEU A 71 0.558 -8.881 3.948 1.00 75.45 H new ATOM 0 HD21 LEU A 71 2.690 -7.765 1.953 1.00 33.02 H new ATOM 0 HD22 LEU A 71 3.137 -8.767 3.354 1.00 33.02 H new ATOM 0 HD23 LEU A 71 3.634 -9.255 1.717 1.00 33.02 H new ATOM 1063 N PRO A 72 3.913 -13.796 3.022 1.00 10.43 N ATOM 1064 CA PRO A 72 4.057 -15.159 3.618 1.00 41.51 C ATOM 1065 C PRO A 72 3.167 -15.338 4.881 1.00 54.43 C ATOM 1066 O PRO A 72 2.738 -16.447 5.210 1.00 22.52 O ATOM 1067 CB PRO A 72 5.569 -15.231 3.961 1.00 12.34 C ATOM 1068 CG PRO A 72 5.972 -13.801 4.183 1.00 42.33 C ATOM 1069 CD PRO A 72 5.154 -12.984 3.204 1.00 14.43 C ATOM 0 HA PRO A 72 3.733 -15.954 2.946 1.00 41.51 H new ATOM 0 HB2 PRO A 72 5.746 -15.836 4.850 1.00 12.34 H new ATOM 0 HB3 PRO A 72 6.139 -15.683 3.149 1.00 12.34 H new ATOM 0 HG2 PRO A 72 5.774 -13.494 5.210 1.00 42.33 H new ATOM 0 HG3 PRO A 72 7.039 -13.664 4.010 1.00 42.33 H new ATOM 0 HD2 PRO A 72 4.930 -11.992 3.597 1.00 14.43 H new ATOM 0 HD3 PRO A 72 5.682 -12.841 2.261 1.00 14.43 H new ATOM 1077 N ASP A 73 2.900 -14.212 5.555 1.00 52.41 N ATOM 1078 CA ASP A 73 2.050 -14.118 6.752 1.00 71.23 C ATOM 1079 C ASP A 73 1.147 -12.848 6.636 1.00 62.04 C ATOM 1080 O ASP A 73 1.419 -11.812 7.256 1.00 13.05 O ATOM 1081 CB ASP A 73 2.947 -14.119 8.036 1.00 3.20 C ATOM 1082 CG ASP A 73 4.286 -13.357 7.881 1.00 20.23 C ATOM 1083 OD1 ASP A 73 4.327 -12.298 7.213 1.00 3.21 O ATOM 1084 OD2 ASP A 73 5.307 -13.802 8.451 1.00 44.24 O ATOM 0 H ASP A 73 3.282 -13.309 5.273 1.00 52.41 H new ATOM 0 HA ASP A 73 1.389 -14.981 6.831 1.00 71.23 H new ATOM 0 HB2 ASP A 73 2.384 -13.677 8.858 1.00 3.20 H new ATOM 0 HB3 ASP A 73 3.160 -15.151 8.315 1.00 3.20 H new ATOM 1089 N PRO A 74 0.047 -12.921 5.814 1.00 23.02 N ATOM 1090 CA PRO A 74 -0.740 -11.723 5.404 1.00 43.24 C ATOM 1091 C PRO A 74 -1.496 -11.029 6.566 1.00 21.12 C ATOM 1092 O PRO A 74 -1.614 -9.794 6.592 1.00 64.34 O ATOM 1093 CB PRO A 74 -1.713 -12.301 4.345 1.00 23.24 C ATOM 1094 CG PRO A 74 -1.874 -13.743 4.718 1.00 11.41 C ATOM 1095 CD PRO A 74 -0.522 -14.176 5.237 1.00 15.43 C ATOM 0 HA PRO A 74 -0.097 -10.926 5.031 1.00 43.24 H new ATOM 0 HB2 PRO A 74 -2.670 -11.779 4.361 1.00 23.24 H new ATOM 0 HB3 PRO A 74 -1.309 -12.196 3.338 1.00 23.24 H new ATOM 0 HG2 PRO A 74 -2.645 -13.869 5.478 1.00 11.41 H new ATOM 0 HG3 PRO A 74 -2.174 -14.340 3.857 1.00 11.41 H new ATOM 0 HD2 PRO A 74 -0.613 -14.959 5.990 1.00 15.43 H new ATOM 0 HD3 PRO A 74 0.106 -14.572 4.439 1.00 15.43 H new ATOM 1103 N ASP A 75 -1.991 -11.837 7.520 1.00 72.12 N ATOM 1104 CA ASP A 75 -2.691 -11.338 8.719 1.00 75.35 C ATOM 1105 C ASP A 75 -1.712 -10.587 9.639 1.00 52.33 C ATOM 1106 O ASP A 75 -2.051 -9.540 10.191 1.00 71.31 O ATOM 1107 CB ASP A 75 -3.345 -12.516 9.480 1.00 75.24 C ATOM 1108 CG ASP A 75 -4.427 -13.219 8.651 1.00 11.40 C ATOM 1109 OD1 ASP A 75 -4.079 -14.015 7.749 1.00 10.30 O ATOM 1110 OD2 ASP A 75 -5.627 -12.973 8.894 1.00 53.34 O ATOM 0 H ASP A 75 -1.918 -12.854 7.483 1.00 72.12 H new ATOM 0 HA ASP A 75 -3.471 -10.644 8.405 1.00 75.35 H new ATOM 0 HB2 ASP A 75 -2.576 -13.238 9.756 1.00 75.24 H new ATOM 0 HB3 ASP A 75 -3.784 -12.147 10.407 1.00 75.24 H new ATOM 1115 N LYS A 76 -0.483 -11.130 9.763 1.00 75.51 N ATOM 1116 CA LYS A 76 0.584 -10.526 10.580 1.00 32.31 C ATOM 1117 C LYS A 76 0.949 -9.122 10.049 1.00 11.42 C ATOM 1118 O LYS A 76 0.965 -8.167 10.809 1.00 32.14 O ATOM 1119 CB LYS A 76 1.849 -11.421 10.590 1.00 22.42 C ATOM 1120 CG LYS A 76 2.916 -11.015 11.645 1.00 44.13 C ATOM 1121 CD LYS A 76 4.343 -11.502 11.293 1.00 0.32 C ATOM 1122 CE LYS A 76 4.970 -10.706 10.131 1.00 0.21 C ATOM 1123 NZ LYS A 76 6.293 -11.248 9.735 1.00 40.23 N ATOM 0 H LYS A 76 -0.206 -11.996 9.301 1.00 75.51 H new ATOM 0 HA LYS A 76 0.209 -10.436 11.599 1.00 32.31 H new ATOM 0 HB2 LYS A 76 1.548 -12.452 10.774 1.00 22.42 H new ATOM 0 HB3 LYS A 76 2.306 -11.394 9.601 1.00 22.42 H new ATOM 0 HG2 LYS A 76 2.924 -9.930 11.744 1.00 44.13 H new ATOM 0 HG3 LYS A 76 2.630 -11.421 12.615 1.00 44.13 H new ATOM 0 HD2 LYS A 76 4.980 -11.416 12.173 1.00 0.32 H new ATOM 0 HD3 LYS A 76 4.307 -12.559 11.028 1.00 0.32 H new ATOM 0 HE2 LYS A 76 4.298 -10.727 9.273 1.00 0.21 H new ATOM 0 HE3 LYS A 76 5.079 -9.662 10.424 1.00 0.21 H new ATOM 0 HZ1 LYS A 76 6.761 -10.583 9.087 1.00 40.23 H new ATOM 0 HZ2 LYS A 76 6.882 -11.379 10.582 1.00 40.23 H new ATOM 0 HZ3 LYS A 76 6.165 -12.163 9.258 1.00 40.23 H new ATOM 1137 N VAL A 77 1.192 -9.031 8.725 1.00 21.32 N ATOM 1138 CA VAL A 77 1.562 -7.771 8.024 1.00 21.04 C ATOM 1139 C VAL A 77 0.510 -6.647 8.255 1.00 43.54 C ATOM 1140 O VAL A 77 0.865 -5.494 8.542 1.00 74.04 O ATOM 1141 CB VAL A 77 1.755 -8.042 6.479 1.00 0.31 C ATOM 1142 CG1 VAL A 77 2.012 -6.739 5.678 1.00 1.42 C ATOM 1143 CG2 VAL A 77 2.895 -9.069 6.238 1.00 55.03 C ATOM 0 H VAL A 77 1.138 -9.836 8.101 1.00 21.32 H new ATOM 0 HA VAL A 77 2.505 -7.423 8.445 1.00 21.04 H new ATOM 0 HB VAL A 77 0.820 -8.464 6.111 1.00 0.31 H new ATOM 0 HG11 VAL A 77 2.138 -6.980 4.622 1.00 1.42 H new ATOM 0 HG12 VAL A 77 1.164 -6.065 5.798 1.00 1.42 H new ATOM 0 HG13 VAL A 77 2.915 -6.255 6.050 1.00 1.42 H new ATOM 0 HG21 VAL A 77 3.010 -9.240 5.168 1.00 55.03 H new ATOM 0 HG22 VAL A 77 3.828 -8.679 6.646 1.00 55.03 H new ATOM 0 HG23 VAL A 77 2.648 -10.009 6.731 1.00 55.03 H new ATOM 1153 N GLN A 78 -0.779 -7.019 8.157 1.00 65.24 N ATOM 1154 CA GLN A 78 -1.917 -6.103 8.416 1.00 30.41 C ATOM 1155 C GLN A 78 -1.939 -5.599 9.884 1.00 21.43 C ATOM 1156 O GLN A 78 -2.181 -4.417 10.144 1.00 73.01 O ATOM 1157 CB GLN A 78 -3.252 -6.813 8.058 1.00 21.12 C ATOM 1158 CG GLN A 78 -4.525 -5.965 8.300 1.00 22.30 C ATOM 1159 CD GLN A 78 -5.823 -6.641 7.840 1.00 24.13 C ATOM 1160 OE1 GLN A 78 -5.841 -7.402 6.889 1.00 71.43 O ATOM 1161 NE2 GLN A 78 -6.916 -6.375 8.520 1.00 51.20 N ATOM 0 H GLN A 78 -1.067 -7.962 7.896 1.00 65.24 H new ATOM 0 HA GLN A 78 -1.792 -5.225 7.782 1.00 30.41 H new ATOM 0 HB2 GLN A 78 -3.221 -7.105 7.008 1.00 21.12 H new ATOM 0 HB3 GLN A 78 -3.327 -7.730 8.642 1.00 21.12 H new ATOM 0 HG2 GLN A 78 -4.602 -5.740 9.364 1.00 22.30 H new ATOM 0 HG3 GLN A 78 -4.419 -5.013 7.780 1.00 22.30 H new ATOM 0 HE21 GLN A 78 -6.880 -5.735 9.313 1.00 51.20 H new ATOM 0 HE22 GLN A 78 -7.800 -6.809 8.254 1.00 51.20 H new ATOM 1170 N ARG A 79 -1.667 -6.512 10.824 1.00 41.14 N ATOM 1171 CA ARG A 79 -1.659 -6.208 12.278 1.00 14.35 C ATOM 1172 C ARG A 79 -0.417 -5.376 12.701 1.00 71.30 C ATOM 1173 O ARG A 79 -0.501 -4.562 13.626 1.00 51.12 O ATOM 1174 CB ARG A 79 -1.751 -7.518 13.102 1.00 2.35 C ATOM 1175 CG ARG A 79 -3.071 -8.307 12.911 1.00 21.10 C ATOM 1176 CD ARG A 79 -4.315 -7.527 13.387 1.00 44.34 C ATOM 1177 NE ARG A 79 -4.260 -7.223 14.829 1.00 20.12 N ATOM 1178 CZ ARG A 79 -5.274 -7.256 15.669 1.00 54.05 C ATOM 1179 NH1 ARG A 79 -6.470 -7.578 15.284 1.00 53.02 N ATOM 1180 NH2 ARG A 79 -5.072 -6.971 16.906 1.00 42.44 N ATOM 0 H ARG A 79 -1.445 -7.484 10.609 1.00 41.14 H new ATOM 0 HA ARG A 79 -2.536 -5.595 12.487 1.00 14.35 H new ATOM 0 HB2 ARG A 79 -0.915 -8.162 12.830 1.00 2.35 H new ATOM 0 HB3 ARG A 79 -1.637 -7.276 14.159 1.00 2.35 H new ATOM 0 HG2 ARG A 79 -3.188 -8.558 11.857 1.00 21.10 H new ATOM 0 HG3 ARG A 79 -3.008 -9.248 13.458 1.00 21.10 H new ATOM 0 HD2 ARG A 79 -4.397 -6.597 12.824 1.00 44.34 H new ATOM 0 HD3 ARG A 79 -5.211 -8.109 13.173 1.00 44.34 H new ATOM 0 HE ARG A 79 -3.351 -6.963 15.212 1.00 20.12 H new ATOM 0 HH11 ARG A 79 -6.645 -7.815 14.307 1.00 53.02 H new ATOM 0 HH12 ARG A 79 -7.235 -7.595 15.958 1.00 53.02 H new ATOM 0 HH21 ARG A 79 -4.136 -6.723 17.226 1.00 42.44 H new ATOM 0 HH22 ARG A 79 -5.848 -6.993 17.568 1.00 42.44 H new ATOM 1194 N ASP A 80 0.732 -5.598 12.027 1.00 55.42 N ATOM 1195 CA ASP A 80 1.949 -4.774 12.211 1.00 65.35 C ATOM 1196 C ASP A 80 1.698 -3.341 11.711 1.00 51.41 C ATOM 1197 O ASP A 80 2.160 -2.376 12.322 1.00 62.31 O ATOM 1198 CB ASP A 80 3.169 -5.384 11.462 1.00 12.14 C ATOM 1199 CG ASP A 80 3.595 -6.765 11.988 1.00 34.53 C ATOM 1200 OD1 ASP A 80 3.662 -6.949 13.218 1.00 10.23 O ATOM 1201 OD2 ASP A 80 3.874 -7.671 11.178 1.00 3.42 O ATOM 0 H ASP A 80 0.843 -6.348 11.344 1.00 55.42 H new ATOM 0 HA ASP A 80 2.179 -4.755 13.276 1.00 65.35 H new ATOM 0 HB2 ASP A 80 2.928 -5.468 10.402 1.00 12.14 H new ATOM 0 HB3 ASP A 80 4.013 -4.699 11.543 1.00 12.14 H new ATOM 1206 N LEU A 81 0.960 -3.227 10.589 1.00 64.30 N ATOM 1207 CA LEU A 81 0.566 -1.927 10.004 1.00 64.21 C ATOM 1208 C LEU A 81 -0.423 -1.180 10.934 1.00 62.34 C ATOM 1209 O LEU A 81 -0.339 0.038 11.099 1.00 43.24 O ATOM 1210 CB LEU A 81 -0.049 -2.124 8.590 1.00 12.30 C ATOM 1211 CG LEU A 81 -0.253 -0.818 7.745 1.00 63.44 C ATOM 1212 CD1 LEU A 81 1.093 -0.113 7.453 1.00 64.33 C ATOM 1213 CD2 LEU A 81 -1.021 -1.115 6.440 1.00 70.15 C ATOM 0 H LEU A 81 0.620 -4.032 10.062 1.00 64.30 H new ATOM 0 HA LEU A 81 1.463 -1.315 9.903 1.00 64.21 H new ATOM 0 HB2 LEU A 81 0.593 -2.802 8.027 1.00 12.30 H new ATOM 0 HB3 LEU A 81 -1.015 -2.617 8.700 1.00 12.30 H new ATOM 0 HG LEU A 81 -0.857 -0.134 8.341 1.00 63.44 H new ATOM 0 HD11 LEU A 81 0.912 0.787 6.866 1.00 64.33 H new ATOM 0 HD12 LEU A 81 1.574 0.157 8.393 1.00 64.33 H new ATOM 0 HD13 LEU A 81 1.743 -0.786 6.894 1.00 64.33 H new ATOM 0 HD21 LEU A 81 -1.148 -0.192 5.874 1.00 70.15 H new ATOM 0 HD22 LEU A 81 -0.459 -1.832 5.842 1.00 70.15 H new ATOM 0 HD23 LEU A 81 -2.000 -1.531 6.680 1.00 70.15 H new ATOM 1225 N ALA A 82 -1.347 -1.941 11.550 1.00 11.32 N ATOM 1226 CA ALA A 82 -2.320 -1.415 12.543 1.00 51.44 C ATOM 1227 C ALA A 82 -1.631 -1.001 13.875 1.00 13.55 C ATOM 1228 O ALA A 82 -2.129 -0.141 14.607 1.00 32.23 O ATOM 1229 CB ALA A 82 -3.421 -2.460 12.795 1.00 52.42 C ATOM 0 H ALA A 82 -1.445 -2.941 11.377 1.00 11.32 H new ATOM 0 HA ALA A 82 -2.769 -0.512 12.129 1.00 51.44 H new ATOM 0 HB1 ALA A 82 -4.132 -2.071 13.523 1.00 52.42 H new ATOM 0 HB2 ALA A 82 -3.939 -2.675 11.861 1.00 52.42 H new ATOM 0 HB3 ALA A 82 -2.972 -3.376 13.180 1.00 52.42 H new ATOM 1235 N SER A 83 -0.494 -1.647 14.188 1.00 10.34 N ATOM 1236 CA SER A 83 0.331 -1.309 15.372 1.00 14.22 C ATOM 1237 C SER A 83 1.110 0.013 15.155 1.00 1.31 C ATOM 1238 O SER A 83 1.020 0.938 15.969 1.00 32.21 O ATOM 1239 CB SER A 83 1.309 -2.468 15.696 1.00 40.32 C ATOM 1240 OG SER A 83 2.138 -2.164 16.811 1.00 31.11 O ATOM 0 H SER A 83 -0.118 -2.416 13.633 1.00 10.34 H new ATOM 0 HA SER A 83 -0.339 -1.167 16.220 1.00 14.22 H new ATOM 0 HB2 SER A 83 0.741 -3.376 15.902 1.00 40.32 H new ATOM 0 HB3 SER A 83 1.932 -2.672 14.825 1.00 40.32 H new ATOM 0 HG SER A 83 2.739 -2.918 16.987 1.00 31.11 H new ATOM 1246 N GLN A 84 1.862 0.092 14.035 1.00 33.31 N ATOM 1247 CA GLN A 84 2.693 1.274 13.680 1.00 34.51 C ATOM 1248 C GLN A 84 1.838 2.527 13.340 1.00 74.41 C ATOM 1249 O GLN A 84 2.296 3.649 13.532 1.00 63.24 O ATOM 1250 CB GLN A 84 3.692 0.929 12.535 1.00 60.01 C ATOM 1251 CG GLN A 84 3.049 0.520 11.196 1.00 31.21 C ATOM 1252 CD GLN A 84 4.038 -0.095 10.190 1.00 53.20 C ATOM 1253 OE1 GLN A 84 4.661 0.594 9.402 1.00 11.35 O ATOM 1254 NE2 GLN A 84 4.186 -1.408 10.210 1.00 1.53 N ATOM 0 H GLN A 84 1.913 -0.660 13.348 1.00 33.31 H new ATOM 0 HA GLN A 84 3.272 1.534 14.566 1.00 34.51 H new ATOM 0 HB2 GLN A 84 4.332 1.794 12.362 1.00 60.01 H new ATOM 0 HB3 GLN A 84 4.337 0.117 12.871 1.00 60.01 H new ATOM 0 HG2 GLN A 84 2.252 -0.197 11.391 1.00 31.21 H new ATOM 0 HG3 GLN A 84 2.585 1.397 10.744 1.00 31.21 H new ATOM 0 HE21 GLN A 84 3.657 -1.971 10.876 1.00 1.53 H new ATOM 0 HE22 GLN A 84 4.829 -1.859 9.559 1.00 1.53 H new ATOM 1263 N CYS A 85 0.610 2.336 12.823 1.00 3.03 N ATOM 1264 CA CYS A 85 -0.315 3.469 12.518 1.00 44.22 C ATOM 1265 C CYS A 85 -0.736 4.244 13.793 1.00 64.31 C ATOM 1266 O CYS A 85 -1.073 5.434 13.729 1.00 41.30 O ATOM 1267 CB CYS A 85 -1.557 2.971 11.757 1.00 34.05 C ATOM 1268 SG CYS A 85 -2.726 2.036 12.763 1.00 40.52 S ATOM 0 H CYS A 85 0.227 1.416 12.605 1.00 3.03 H new ATOM 0 HA CYS A 85 0.234 4.164 11.882 1.00 44.22 H new ATOM 0 HB2 CYS A 85 -2.073 3.830 11.327 1.00 34.05 H new ATOM 0 HB3 CYS A 85 -1.232 2.346 10.926 1.00 34.05 H new ATOM 0 HG CYS A 85 -2.090 1.443 13.729 1.00 40.52 H new ATOM 1274 N ALA A 86 -0.717 3.546 14.938 1.00 2.54 N ATOM 1275 CA ALA A 86 -0.929 4.154 16.271 1.00 3.00 C ATOM 1276 C ALA A 86 0.407 4.621 16.927 1.00 21.13 C ATOM 1277 O ALA A 86 0.471 5.705 17.518 1.00 2.43 O ATOM 1278 CB ALA A 86 -1.656 3.142 17.172 1.00 54.20 C ATOM 0 H ALA A 86 -0.554 2.540 14.972 1.00 2.54 H new ATOM 0 HA ALA A 86 -1.541 5.048 16.148 1.00 3.00 H new ATOM 0 HB1 ALA A 86 -1.817 3.581 18.157 1.00 54.20 H new ATOM 0 HB2 ALA A 86 -2.618 2.885 16.728 1.00 54.20 H new ATOM 0 HB3 ALA A 86 -1.050 2.242 17.271 1.00 54.20 H new ATOM 1284 N SER A 87 1.469 3.792 16.806 1.00 74.14 N ATOM 1285 CA SER A 87 2.765 3.991 17.529 1.00 64.03 C ATOM 1286 C SER A 87 3.672 5.085 16.900 1.00 2.44 C ATOM 1287 O SER A 87 4.282 5.880 17.620 1.00 60.20 O ATOM 1288 CB SER A 87 3.549 2.654 17.586 1.00 3.21 C ATOM 1289 OG SER A 87 2.811 1.635 18.250 1.00 12.32 O ATOM 0 H SER A 87 1.461 2.966 16.208 1.00 74.14 H new ATOM 0 HA SER A 87 2.502 4.333 18.530 1.00 64.03 H new ATOM 0 HB2 SER A 87 3.787 2.329 16.573 1.00 3.21 H new ATOM 0 HB3 SER A 87 4.497 2.810 18.101 1.00 3.21 H new ATOM 0 HG SER A 87 2.130 1.277 17.644 1.00 12.32 H new ATOM 1295 N MET A 88 3.792 5.082 15.561 1.00 31.42 N ATOM 1296 CA MET A 88 4.636 6.050 14.802 1.00 23.13 C ATOM 1297 C MET A 88 4.072 7.486 14.842 1.00 44.41 C ATOM 1298 O MET A 88 4.817 8.454 15.016 1.00 31.24 O ATOM 1299 CB MET A 88 4.767 5.609 13.309 1.00 62.22 C ATOM 1300 CG MET A 88 5.831 4.552 13.030 1.00 3.21 C ATOM 1301 SD MET A 88 7.490 5.201 13.327 1.00 52.43 S ATOM 1302 CE MET A 88 8.501 4.004 12.465 1.00 32.14 C ATOM 0 H MET A 88 3.309 4.411 14.964 1.00 31.42 H new ATOM 0 HA MET A 88 5.612 6.051 15.287 1.00 23.13 H new ATOM 0 HB2 MET A 88 3.803 5.226 12.975 1.00 62.22 H new ATOM 0 HB3 MET A 88 4.987 6.490 12.706 1.00 62.22 H new ATOM 0 HG2 MET A 88 5.659 3.683 13.664 1.00 3.21 H new ATOM 0 HG3 MET A 88 5.749 4.214 11.997 1.00 3.21 H new ATOM 0 HE1 MET A 88 9.506 4.405 12.332 1.00 32.14 H new ATOM 0 HE2 MET A 88 8.552 3.084 13.047 1.00 32.14 H new ATOM 0 HE3 MET A 88 8.062 3.792 11.490 1.00 32.14 H new ATOM 1312 N LEU A 89 2.753 7.604 14.651 1.00 52.25 N ATOM 1313 CA LEU A 89 2.084 8.891 14.354 1.00 52.43 C ATOM 1314 C LEU A 89 1.585 9.571 15.650 1.00 24.33 C ATOM 1315 O LEU A 89 1.273 8.877 16.626 1.00 20.51 O ATOM 1316 CB LEU A 89 0.913 8.630 13.361 1.00 43.20 C ATOM 1317 CG LEU A 89 1.213 7.622 12.188 1.00 32.11 C ATOM 1318 CD1 LEU A 89 0.035 7.530 11.204 1.00 54.44 C ATOM 1319 CD2 LEU A 89 2.530 7.954 11.450 1.00 41.33 C ATOM 0 H LEU A 89 2.112 6.812 14.697 1.00 52.25 H new ATOM 0 HA LEU A 89 2.797 9.575 13.894 1.00 52.43 H new ATOM 0 HB2 LEU A 89 0.060 8.255 13.927 1.00 43.20 H new ATOM 0 HB3 LEU A 89 0.612 9.583 12.926 1.00 43.20 H new ATOM 0 HG LEU A 89 1.342 6.642 12.648 1.00 32.11 H new ATOM 0 HD11 LEU A 89 0.279 6.825 10.409 1.00 54.44 H new ATOM 0 HD12 LEU A 89 -0.855 7.187 11.732 1.00 54.44 H new ATOM 0 HD13 LEU A 89 -0.156 8.512 10.772 1.00 54.44 H new ATOM 0 HD21 LEU A 89 2.692 7.231 10.651 1.00 41.33 H new ATOM 0 HD22 LEU A 89 2.466 8.956 11.025 1.00 41.33 H new ATOM 0 HD23 LEU A 89 3.362 7.910 12.153 1.00 41.33 H new ATOM 1331 N ASN A 90 1.535 10.928 15.657 1.00 14.53 N ATOM 1332 CA ASN A 90 1.106 11.731 16.844 1.00 23.33 C ATOM 1333 C ASN A 90 -0.272 11.295 17.416 1.00 52.03 C ATOM 1334 O ASN A 90 -0.503 11.368 18.629 1.00 73.54 O ATOM 1335 CB ASN A 90 1.112 13.249 16.519 1.00 34.42 C ATOM 1336 CG ASN A 90 0.245 13.631 15.318 1.00 53.50 C ATOM 1337 OD1 ASN A 90 0.851 13.771 14.166 1.00 2.44 O flip ATOM 1338 ND2 ASN A 90 -0.956 13.820 15.426 1.00 11.34 N flip ATOM 0 H ASN A 90 1.788 11.498 14.849 1.00 14.53 H new ATOM 0 HA ASN A 90 1.840 11.533 17.626 1.00 23.33 H new ATOM 0 HB2 ASN A 90 0.765 13.799 17.394 1.00 34.42 H new ATOM 0 HB3 ASN A 90 2.138 13.566 16.329 1.00 34.42 H new ATOM 0 HD21 ASN A 90 -1.411 13.706 16.332 1.00 11.34 H new ATOM 0 HD22 ASN A 90 -1.505 14.092 14.610 1.00 11.34 H new ATOM 1345 N VAL A 91 -1.183 10.871 16.526 1.00 64.31 N ATOM 1346 CA VAL A 91 -2.461 10.217 16.903 1.00 63.25 C ATOM 1347 C VAL A 91 -2.539 8.802 16.287 1.00 33.41 C ATOM 1348 O VAL A 91 -1.711 8.430 15.443 1.00 53.32 O ATOM 1349 CB VAL A 91 -3.714 11.052 16.429 1.00 10.05 C ATOM 1350 CG1 VAL A 91 -3.694 12.481 17.023 1.00 1.21 C ATOM 1351 CG2 VAL A 91 -3.824 11.081 14.880 1.00 54.40 C ATOM 0 H VAL A 91 -1.060 10.969 15.518 1.00 64.31 H new ATOM 0 HA VAL A 91 -2.480 10.156 17.991 1.00 63.25 H new ATOM 0 HB VAL A 91 -4.605 10.552 16.808 1.00 10.05 H new ATOM 0 HG11 VAL A 91 -4.570 13.031 16.678 1.00 1.21 H new ATOM 0 HG12 VAL A 91 -3.708 12.423 18.111 1.00 1.21 H new ATOM 0 HG13 VAL A 91 -2.790 12.997 16.699 1.00 1.21 H new ATOM 0 HG21 VAL A 91 -4.697 11.664 14.588 1.00 54.40 H new ATOM 0 HG22 VAL A 91 -2.927 11.536 14.460 1.00 54.40 H new ATOM 0 HG23 VAL A 91 -3.925 10.063 14.503 1.00 54.40 H new ATOM 1361 N ALA A 92 -3.552 8.023 16.699 1.00 25.31 N ATOM 1362 CA ALA A 92 -3.876 6.745 16.051 1.00 2.55 C ATOM 1363 C ALA A 92 -4.661 6.996 14.741 1.00 64.20 C ATOM 1364 O ALA A 92 -5.856 7.323 14.766 1.00 44.44 O ATOM 1365 CB ALA A 92 -4.658 5.828 17.006 1.00 34.55 C ATOM 0 H ALA A 92 -4.162 8.259 17.482 1.00 25.31 H new ATOM 0 HA ALA A 92 -2.946 6.235 15.799 1.00 2.55 H new ATOM 0 HB1 ALA A 92 -4.886 4.888 16.503 1.00 34.55 H new ATOM 0 HB2 ALA A 92 -4.056 5.628 17.893 1.00 34.55 H new ATOM 0 HB3 ALA A 92 -5.587 6.317 17.300 1.00 34.55 H new ATOM 1371 N LEU A 93 -3.955 6.889 13.612 1.00 20.23 N ATOM 1372 CA LEU A 93 -4.557 6.974 12.270 1.00 2.22 C ATOM 1373 C LEU A 93 -4.986 5.550 11.873 1.00 73.20 C ATOM 1374 O LEU A 93 -4.145 4.666 11.771 1.00 2.12 O ATOM 1375 CB LEU A 93 -3.527 7.579 11.261 1.00 43.41 C ATOM 1376 CG LEU A 93 -4.064 8.168 9.902 1.00 53.41 C ATOM 1377 CD1 LEU A 93 -2.948 8.953 9.168 1.00 60.14 C ATOM 1378 CD2 LEU A 93 -4.659 7.087 8.957 1.00 34.13 C ATOM 0 H LEU A 93 -2.946 6.740 13.598 1.00 20.23 H new ATOM 0 HA LEU A 93 -5.427 7.631 12.262 1.00 2.22 H new ATOM 0 HB2 LEU A 93 -2.986 8.373 11.776 1.00 43.41 H new ATOM 0 HB3 LEU A 93 -2.801 6.802 11.022 1.00 43.41 H new ATOM 0 HG LEU A 93 -4.878 8.843 10.165 1.00 53.41 H new ATOM 0 HD11 LEU A 93 -3.339 9.352 8.232 1.00 60.14 H new ATOM 0 HD12 LEU A 93 -2.607 9.775 9.798 1.00 60.14 H new ATOM 0 HD13 LEU A 93 -2.112 8.286 8.957 1.00 60.14 H new ATOM 0 HD21 LEU A 93 -5.010 7.559 8.040 1.00 34.13 H new ATOM 0 HD22 LEU A 93 -3.891 6.352 8.716 1.00 34.13 H new ATOM 0 HD23 LEU A 93 -5.493 6.590 9.452 1.00 34.13 H new ATOM 1390 N ARG A 94 -6.292 5.327 11.679 1.00 21.21 N ATOM 1391 CA ARG A 94 -6.829 4.012 11.263 1.00 21.23 C ATOM 1392 C ARG A 94 -7.209 4.032 9.757 1.00 54.23 C ATOM 1393 O ARG A 94 -8.278 4.552 9.395 1.00 13.02 O ATOM 1394 CB ARG A 94 -8.053 3.628 12.144 1.00 14.41 C ATOM 1395 CG ARG A 94 -8.676 2.245 11.825 1.00 50.31 C ATOM 1396 CD ARG A 94 -9.871 1.901 12.736 1.00 33.31 C ATOM 1397 NE ARG A 94 -10.957 2.896 12.644 1.00 34.50 N ATOM 1398 CZ ARG A 94 -12.209 2.694 12.988 1.00 23.11 C ATOM 1399 NH1 ARG A 94 -12.614 1.545 13.443 1.00 64.43 N ATOM 1400 NH2 ARG A 94 -13.057 3.658 12.866 1.00 74.33 N ATOM 0 H ARG A 94 -7.007 6.044 11.803 1.00 21.21 H new ATOM 0 HA ARG A 94 -6.057 3.256 11.404 1.00 21.23 H new ATOM 0 HB2 ARG A 94 -7.748 3.641 13.190 1.00 14.41 H new ATOM 0 HB3 ARG A 94 -8.821 4.392 12.027 1.00 14.41 H new ATOM 0 HG2 ARG A 94 -9.002 2.230 10.785 1.00 50.31 H new ATOM 0 HG3 ARG A 94 -7.912 1.475 11.930 1.00 50.31 H new ATOM 0 HD2 ARG A 94 -10.259 0.919 12.466 1.00 33.31 H new ATOM 0 HD3 ARG A 94 -9.529 1.836 13.769 1.00 33.31 H new ATOM 0 HE ARG A 94 -10.715 3.819 12.283 1.00 34.50 H new ATOM 0 HH11 ARG A 94 -11.954 0.774 13.540 1.00 64.43 H new ATOM 0 HH12 ARG A 94 -13.592 1.415 13.703 1.00 64.43 H new ATOM 0 HH21 ARG A 94 -12.752 4.563 12.506 1.00 74.33 H new ATOM 0 HH22 ARG A 94 -14.032 3.516 13.129 1.00 74.33 H new ATOM 1414 N PRO A 95 -6.324 3.515 8.841 1.00 32.14 N ATOM 1415 CA PRO A 95 -6.678 3.339 7.418 1.00 21.40 C ATOM 1416 C PRO A 95 -7.486 2.038 7.169 1.00 1.31 C ATOM 1417 O PRO A 95 -7.536 1.137 8.017 1.00 74.24 O ATOM 1418 CB PRO A 95 -5.296 3.319 6.720 1.00 51.30 C ATOM 1419 CG PRO A 95 -4.352 2.745 7.735 1.00 11.41 C ATOM 1420 CD PRO A 95 -4.918 3.087 9.109 1.00 23.21 C ATOM 0 HA PRO A 95 -7.333 4.124 7.040 1.00 21.40 H new ATOM 0 HB2 PRO A 95 -5.320 2.711 5.816 1.00 51.30 H new ATOM 0 HB3 PRO A 95 -4.991 4.322 6.421 1.00 51.30 H new ATOM 0 HG2 PRO A 95 -4.262 1.666 7.612 1.00 11.41 H new ATOM 0 HG3 PRO A 95 -3.353 3.164 7.614 1.00 11.41 H new ATOM 0 HD2 PRO A 95 -4.886 2.226 9.777 1.00 23.21 H new ATOM 0 HD3 PRO A 95 -4.346 3.882 9.587 1.00 23.21 H new ATOM 1428 N GLU A 96 -8.096 1.955 5.985 1.00 10.13 N ATOM 1429 CA GLU A 96 -8.914 0.796 5.568 1.00 41.51 C ATOM 1430 C GLU A 96 -7.991 -0.300 4.976 1.00 75.40 C ATOM 1431 O GLU A 96 -7.153 -0.013 4.120 1.00 34.34 O ATOM 1432 CB GLU A 96 -9.982 1.268 4.546 1.00 34.35 C ATOM 1433 CG GLU A 96 -10.838 0.163 3.893 1.00 42.41 C ATOM 1434 CD GLU A 96 -11.780 -0.566 4.865 1.00 72.55 C ATOM 1435 OE1 GLU A 96 -12.879 -0.035 5.139 1.00 20.40 O ATOM 1436 OE2 GLU A 96 -11.434 -1.675 5.343 1.00 41.31 O ATOM 0 H GLU A 96 -8.041 2.689 5.279 1.00 10.13 H new ATOM 0 HA GLU A 96 -9.434 0.366 6.424 1.00 41.51 H new ATOM 0 HB2 GLU A 96 -10.651 1.967 5.048 1.00 34.35 H new ATOM 0 HB3 GLU A 96 -9.477 1.822 3.755 1.00 34.35 H new ATOM 0 HG2 GLU A 96 -11.432 0.605 3.093 1.00 42.41 H new ATOM 0 HG3 GLU A 96 -10.175 -0.568 3.431 1.00 42.41 H new ATOM 1443 N MET A 97 -8.139 -1.549 5.463 1.00 3.45 N ATOM 1444 CA MET A 97 -7.231 -2.678 5.119 1.00 50.12 C ATOM 1445 C MET A 97 -8.041 -3.942 4.744 1.00 12.00 C ATOM 1446 O MET A 97 -8.819 -4.435 5.563 1.00 63.44 O ATOM 1447 CB MET A 97 -6.304 -3.020 6.326 1.00 43.41 C ATOM 1448 CG MET A 97 -5.478 -1.856 6.878 1.00 43.00 C ATOM 1449 SD MET A 97 -4.532 -2.340 8.339 1.00 23.43 S ATOM 1450 CE MET A 97 -3.933 -0.760 8.930 1.00 40.44 C ATOM 0 H MET A 97 -8.888 -1.810 6.105 1.00 3.45 H new ATOM 0 HA MET A 97 -6.628 -2.367 4.266 1.00 50.12 H new ATOM 0 HB2 MET A 97 -6.920 -3.419 7.132 1.00 43.41 H new ATOM 0 HB3 MET A 97 -5.622 -3.814 6.023 1.00 43.41 H new ATOM 0 HG2 MET A 97 -4.797 -1.495 6.107 1.00 43.00 H new ATOM 0 HG3 MET A 97 -6.140 -1.028 7.131 1.00 43.00 H new ATOM 0 HE1 MET A 97 -3.424 -0.898 9.884 1.00 40.44 H new ATOM 0 HE2 MET A 97 -3.236 -0.341 8.204 1.00 40.44 H new ATOM 0 HE3 MET A 97 -4.773 -0.078 9.062 1.00 40.44 H new ATOM 1460 N GLN A 98 -7.853 -4.459 3.513 1.00 15.22 N ATOM 1461 CA GLN A 98 -8.450 -5.756 3.070 1.00 71.22 C ATOM 1462 C GLN A 98 -7.358 -6.678 2.471 1.00 42.41 C ATOM 1463 O GLN A 98 -6.489 -6.224 1.718 1.00 62.34 O ATOM 1464 CB GLN A 98 -9.591 -5.539 2.026 1.00 55.33 C ATOM 1465 CG GLN A 98 -10.878 -4.864 2.569 1.00 43.44 C ATOM 1466 CD GLN A 98 -11.660 -5.730 3.569 1.00 51.22 C ATOM 1467 OE1 GLN A 98 -12.496 -6.545 3.185 1.00 5.13 O ATOM 1468 NE2 GLN A 98 -11.424 -5.542 4.855 1.00 73.52 N ATOM 0 H GLN A 98 -7.290 -4.002 2.796 1.00 15.22 H new ATOM 0 HA GLN A 98 -8.883 -6.233 3.949 1.00 71.22 H new ATOM 0 HB2 GLN A 98 -9.201 -4.932 1.209 1.00 55.33 H new ATOM 0 HB3 GLN A 98 -9.861 -6.507 1.603 1.00 55.33 H new ATOM 0 HG2 GLN A 98 -10.608 -3.924 3.050 1.00 43.44 H new ATOM 0 HG3 GLN A 98 -11.529 -4.617 1.730 1.00 43.44 H new ATOM 0 HE21 GLN A 98 -10.725 -4.860 5.151 1.00 73.52 H new ATOM 0 HE22 GLN A 98 -11.940 -6.079 5.552 1.00 73.52 H new ATOM 1477 N LEU A 99 -7.420 -7.979 2.820 1.00 42.22 N ATOM 1478 CA LEU A 99 -6.489 -9.009 2.306 1.00 51.01 C ATOM 1479 C LEU A 99 -7.063 -9.663 1.030 1.00 74.23 C ATOM 1480 O LEU A 99 -8.070 -10.375 1.078 1.00 43.02 O ATOM 1481 CB LEU A 99 -6.193 -10.060 3.414 1.00 22.05 C ATOM 1482 CG LEU A 99 -5.291 -9.553 4.582 1.00 24.02 C ATOM 1483 CD1 LEU A 99 -5.210 -10.574 5.736 1.00 72.52 C ATOM 1484 CD2 LEU A 99 -3.879 -9.174 4.076 1.00 24.22 C ATOM 0 H LEU A 99 -8.117 -8.347 3.467 1.00 42.22 H new ATOM 0 HA LEU A 99 -5.544 -8.539 2.034 1.00 51.01 H new ATOM 0 HB2 LEU A 99 -7.140 -10.404 3.830 1.00 22.05 H new ATOM 0 HB3 LEU A 99 -5.714 -10.925 2.955 1.00 22.05 H new ATOM 0 HG LEU A 99 -5.761 -8.653 4.980 1.00 24.02 H new ATOM 0 HD11 LEU A 99 -4.572 -10.179 6.527 1.00 72.52 H new ATOM 0 HD12 LEU A 99 -6.209 -10.755 6.132 1.00 72.52 H new ATOM 0 HD13 LEU A 99 -4.792 -11.510 5.365 1.00 72.52 H new ATOM 0 HD21 LEU A 99 -3.274 -8.825 4.913 1.00 24.22 H new ATOM 0 HD22 LEU A 99 -3.407 -10.048 3.627 1.00 24.22 H new ATOM 0 HD23 LEU A 99 -3.960 -8.382 3.331 1.00 24.22 H new ATOM 1496 N GLU A 100 -6.395 -9.412 -0.110 1.00 43.24 N ATOM 1497 CA GLU A 100 -6.896 -9.769 -1.455 1.00 43.52 C ATOM 1498 C GLU A 100 -6.004 -10.832 -2.135 1.00 44.45 C ATOM 1499 O GLU A 100 -4.791 -10.652 -2.258 1.00 63.25 O ATOM 1500 CB GLU A 100 -6.977 -8.490 -2.332 1.00 62.23 C ATOM 1501 CG GLU A 100 -7.997 -7.433 -1.856 1.00 25.01 C ATOM 1502 CD GLU A 100 -9.438 -7.967 -1.814 1.00 33.12 C ATOM 1503 OE1 GLU A 100 -10.031 -8.189 -2.896 1.00 52.22 O ATOM 1504 OE2 GLU A 100 -9.977 -8.184 -0.706 1.00 3.53 O ATOM 0 H GLU A 100 -5.485 -8.952 -0.127 1.00 43.24 H new ATOM 0 HA GLU A 100 -7.890 -10.203 -1.345 1.00 43.52 H new ATOM 0 HB2 GLU A 100 -5.990 -8.029 -2.368 1.00 62.23 H new ATOM 0 HB3 GLU A 100 -7.229 -8.782 -3.351 1.00 62.23 H new ATOM 0 HG2 GLU A 100 -7.715 -7.085 -0.862 1.00 25.01 H new ATOM 0 HG3 GLU A 100 -7.954 -6.570 -2.520 1.00 25.01 H new ATOM 1511 N GLN A 101 -6.630 -11.928 -2.597 1.00 73.03 N ATOM 1512 CA GLN A 101 -5.934 -13.028 -3.295 1.00 55.44 C ATOM 1513 C GLN A 101 -5.865 -12.753 -4.817 1.00 11.45 C ATOM 1514 O GLN A 101 -6.896 -12.614 -5.488 1.00 74.22 O ATOM 1515 CB GLN A 101 -6.626 -14.395 -3.021 1.00 11.13 C ATOM 1516 CG GLN A 101 -6.424 -14.965 -1.594 1.00 55.01 C ATOM 1517 CD GLN A 101 -7.117 -14.176 -0.472 1.00 33.14 C ATOM 1518 OE1 GLN A 101 -8.153 -13.548 -0.667 1.00 51.35 O ATOM 1519 NE2 GLN A 101 -6.570 -14.237 0.726 1.00 44.34 N ATOM 0 H GLN A 101 -7.634 -12.078 -2.498 1.00 73.03 H new ATOM 0 HA GLN A 101 -4.918 -13.079 -2.905 1.00 55.44 H new ATOM 0 HB2 GLN A 101 -7.695 -14.285 -3.203 1.00 11.13 H new ATOM 0 HB3 GLN A 101 -6.253 -15.123 -3.741 1.00 11.13 H new ATOM 0 HG2 GLN A 101 -6.790 -15.991 -1.575 1.00 55.01 H new ATOM 0 HG3 GLN A 101 -5.355 -15.004 -1.383 1.00 55.01 H new ATOM 0 HE21 GLN A 101 -5.708 -14.765 0.867 1.00 44.34 H new ATOM 0 HE22 GLN A 101 -7.008 -13.757 1.512 1.00 44.34 H new ATOM 1528 N VAL A 102 -4.631 -12.650 -5.334 1.00 62.45 N ATOM 1529 CA VAL A 102 -4.337 -12.429 -6.759 1.00 1.44 C ATOM 1530 C VAL A 102 -3.394 -13.556 -7.258 1.00 14.35 C ATOM 1531 O VAL A 102 -2.243 -13.654 -6.813 1.00 72.43 O ATOM 1532 CB VAL A 102 -3.666 -11.020 -7.003 1.00 50.15 C ATOM 1533 CG1 VAL A 102 -3.598 -10.679 -8.514 1.00 42.50 C ATOM 1534 CG2 VAL A 102 -4.379 -9.898 -6.206 1.00 51.02 C ATOM 0 H VAL A 102 -3.791 -12.720 -4.760 1.00 62.45 H new ATOM 0 HA VAL A 102 -5.275 -12.447 -7.314 1.00 1.44 H new ATOM 0 HB VAL A 102 -2.643 -11.083 -6.631 1.00 50.15 H new ATOM 0 HG11 VAL A 102 -3.131 -9.703 -8.646 1.00 42.50 H new ATOM 0 HG12 VAL A 102 -3.009 -11.436 -9.032 1.00 42.50 H new ATOM 0 HG13 VAL A 102 -4.606 -10.658 -8.928 1.00 42.50 H new ATOM 0 HG21 VAL A 102 -3.888 -8.945 -6.401 1.00 51.02 H new ATOM 0 HG22 VAL A 102 -5.422 -9.838 -6.516 1.00 51.02 H new ATOM 0 HG23 VAL A 102 -4.329 -10.121 -5.140 1.00 51.02 H new ATOM 1544 N GLY A 103 -3.910 -14.408 -8.168 1.00 1.44 N ATOM 1545 CA GLY A 103 -3.166 -15.564 -8.711 1.00 14.13 C ATOM 1546 C GLY A 103 -2.707 -16.607 -7.670 1.00 13.34 C ATOM 1547 O GLY A 103 -1.709 -17.309 -7.890 1.00 42.25 O ATOM 0 H GLY A 103 -4.852 -14.314 -8.547 1.00 1.44 H new ATOM 0 HA2 GLY A 103 -3.794 -16.064 -9.448 1.00 14.13 H new ATOM 0 HA3 GLY A 103 -2.288 -15.193 -9.239 1.00 14.13 H new ATOM 1551 N GLY A 104 -3.455 -16.725 -6.554 1.00 10.14 N ATOM 1552 CA GLY A 104 -3.142 -17.688 -5.474 1.00 2.45 C ATOM 1553 C GLY A 104 -2.207 -17.135 -4.381 1.00 2.23 C ATOM 1554 O GLY A 104 -1.783 -17.878 -3.490 1.00 72.21 O ATOM 0 H GLY A 104 -4.286 -16.162 -6.375 1.00 10.14 H new ATOM 0 HA2 GLY A 104 -4.074 -18.010 -5.009 1.00 2.45 H new ATOM 0 HA3 GLY A 104 -2.683 -18.573 -5.914 1.00 2.45 H new ATOM 1558 N LYS A 105 -1.886 -15.829 -4.455 1.00 13.03 N ATOM 1559 CA LYS A 105 -1.026 -15.128 -3.462 1.00 62.25 C ATOM 1560 C LYS A 105 -1.877 -14.078 -2.725 1.00 13.44 C ATOM 1561 O LYS A 105 -2.636 -13.363 -3.364 1.00 31.24 O ATOM 1562 CB LYS A 105 0.189 -14.414 -4.143 1.00 20.42 C ATOM 1563 CG LYS A 105 1.234 -15.333 -4.833 1.00 25.33 C ATOM 1564 CD LYS A 105 0.738 -15.939 -6.164 1.00 53.11 C ATOM 1565 CE LYS A 105 1.778 -16.834 -6.857 1.00 25.40 C ATOM 1566 NZ LYS A 105 1.203 -17.496 -8.056 1.00 31.01 N ATOM 0 H LYS A 105 -2.214 -15.221 -5.206 1.00 13.03 H new ATOM 0 HA LYS A 105 -0.632 -15.871 -2.768 1.00 62.25 H new ATOM 0 HB2 LYS A 105 -0.198 -13.718 -4.887 1.00 20.42 H new ATOM 0 HB3 LYS A 105 0.703 -13.820 -3.387 1.00 20.42 H new ATOM 0 HG2 LYS A 105 2.142 -14.760 -5.020 1.00 25.33 H new ATOM 0 HG3 LYS A 105 1.501 -16.141 -4.152 1.00 25.33 H new ATOM 0 HD2 LYS A 105 -0.163 -16.523 -5.975 1.00 53.11 H new ATOM 0 HD3 LYS A 105 0.458 -15.131 -6.840 1.00 53.11 H new ATOM 0 HE2 LYS A 105 2.641 -16.235 -7.148 1.00 25.40 H new ATOM 0 HE3 LYS A 105 2.135 -17.590 -6.157 1.00 25.40 H new ATOM 0 HZ1 LYS A 105 1.503 -18.491 -8.081 1.00 31.01 H new ATOM 0 HZ2 LYS A 105 0.165 -17.449 -8.014 1.00 31.01 H new ATOM 0 HZ3 LYS A 105 1.537 -17.012 -8.914 1.00 31.01 H new ATOM 1580 N THR A 106 -1.746 -13.965 -1.394 1.00 22.22 N ATOM 1581 CA THR A 106 -2.530 -12.974 -0.607 1.00 70.43 C ATOM 1582 C THR A 106 -1.739 -11.652 -0.426 1.00 74.23 C ATOM 1583 O THR A 106 -0.583 -11.671 -0.029 1.00 44.45 O ATOM 1584 CB THR A 106 -2.953 -13.532 0.794 1.00 22.13 C ATOM 1585 OG1 THR A 106 -3.624 -14.796 0.631 1.00 34.20 O ATOM 1586 CG2 THR A 106 -3.896 -12.561 1.541 1.00 44.34 C ATOM 0 H THR A 106 -1.113 -14.538 -0.836 1.00 22.22 H new ATOM 0 HA THR A 106 -3.437 -12.773 -1.178 1.00 70.43 H new ATOM 0 HB THR A 106 -2.045 -13.652 1.385 1.00 22.13 H new ATOM 0 HG1 THR A 106 -3.886 -15.143 1.509 1.00 34.20 H new ATOM 0 HG21 THR A 106 -4.165 -12.987 2.508 1.00 44.34 H new ATOM 0 HG22 THR A 106 -3.390 -11.607 1.692 1.00 44.34 H new ATOM 0 HG23 THR A 106 -4.798 -12.404 0.950 1.00 44.34 H new ATOM 1594 N LEU A 107 -2.406 -10.517 -0.685 1.00 23.21 N ATOM 1595 CA LEU A 107 -1.799 -9.156 -0.645 1.00 62.03 C ATOM 1596 C LEU A 107 -2.586 -8.284 0.356 1.00 4.34 C ATOM 1597 O LEU A 107 -3.665 -8.673 0.797 1.00 45.12 O ATOM 1598 CB LEU A 107 -1.797 -8.463 -2.052 1.00 40.23 C ATOM 1599 CG LEU A 107 -0.835 -9.044 -3.149 1.00 75.31 C ATOM 1600 CD1 LEU A 107 -1.316 -10.404 -3.700 1.00 34.30 C ATOM 1601 CD2 LEU A 107 -0.631 -8.029 -4.297 1.00 23.31 C ATOM 0 H LEU A 107 -3.395 -10.507 -0.932 1.00 23.21 H new ATOM 0 HA LEU A 107 -0.760 -9.263 -0.333 1.00 62.03 H new ATOM 0 HB2 LEU A 107 -2.813 -8.497 -2.445 1.00 40.23 H new ATOM 0 HB3 LEU A 107 -1.546 -7.412 -1.908 1.00 40.23 H new ATOM 0 HG LEU A 107 0.125 -9.221 -2.663 1.00 75.31 H new ATOM 0 HD11 LEU A 107 -0.614 -10.760 -4.455 1.00 34.30 H new ATOM 0 HD12 LEU A 107 -1.371 -11.127 -2.886 1.00 34.30 H new ATOM 0 HD13 LEU A 107 -2.302 -10.287 -4.148 1.00 34.30 H new ATOM 0 HD21 LEU A 107 0.039 -8.455 -5.044 1.00 23.31 H new ATOM 0 HD22 LEU A 107 -1.592 -7.803 -4.758 1.00 23.31 H new ATOM 0 HD23 LEU A 107 -0.195 -7.112 -3.899 1.00 23.31 H new ATOM 1613 N LEU A 108 -2.055 -7.097 0.695 1.00 5.35 N ATOM 1614 CA LEU A 108 -2.760 -6.132 1.571 1.00 74.40 C ATOM 1615 C LEU A 108 -2.990 -4.801 0.830 1.00 30.34 C ATOM 1616 O LEU A 108 -2.033 -4.116 0.449 1.00 21.20 O ATOM 1617 CB LEU A 108 -1.974 -5.878 2.884 1.00 15.30 C ATOM 1618 CG LEU A 108 -2.678 -4.930 3.914 1.00 25.41 C ATOM 1619 CD1 LEU A 108 -4.012 -5.531 4.420 1.00 44.24 C ATOM 1620 CD2 LEU A 108 -1.739 -4.585 5.090 1.00 22.02 C ATOM 0 H LEU A 108 -1.140 -6.778 0.378 1.00 5.35 H new ATOM 0 HA LEU A 108 -3.724 -6.568 1.832 1.00 74.40 H new ATOM 0 HB2 LEU A 108 -1.787 -6.837 3.367 1.00 15.30 H new ATOM 0 HB3 LEU A 108 -1.003 -5.454 2.630 1.00 15.30 H new ATOM 0 HG LEU A 108 -2.914 -4.002 3.394 1.00 25.41 H new ATOM 0 HD11 LEU A 108 -4.472 -4.847 5.133 1.00 44.24 H new ATOM 0 HD12 LEU A 108 -4.685 -5.684 3.577 1.00 44.24 H new ATOM 0 HD13 LEU A 108 -3.819 -6.486 4.908 1.00 44.24 H new ATOM 0 HD21 LEU A 108 -2.256 -3.926 5.787 1.00 22.02 H new ATOM 0 HD22 LEU A 108 -1.448 -5.501 5.604 1.00 22.02 H new ATOM 0 HD23 LEU A 108 -0.849 -4.084 4.710 1.00 22.02 H new ATOM 1632 N VAL A 109 -4.266 -4.459 0.620 1.00 42.43 N ATOM 1633 CA VAL A 109 -4.669 -3.157 0.064 1.00 35.52 C ATOM 1634 C VAL A 109 -4.828 -2.138 1.214 1.00 51.55 C ATOM 1635 O VAL A 109 -5.483 -2.429 2.221 1.00 34.04 O ATOM 1636 CB VAL A 109 -6.021 -3.260 -0.731 1.00 21.32 C ATOM 1637 CG1 VAL A 109 -6.405 -1.899 -1.359 1.00 54.32 C ATOM 1638 CG2 VAL A 109 -5.968 -4.371 -1.802 1.00 41.01 C ATOM 0 H VAL A 109 -5.051 -5.076 0.830 1.00 42.43 H new ATOM 0 HA VAL A 109 -3.894 -2.830 -0.629 1.00 35.52 H new ATOM 0 HB VAL A 109 -6.798 -3.531 -0.017 1.00 21.32 H new ATOM 0 HG11 VAL A 109 -7.344 -2.001 -1.903 1.00 54.32 H new ATOM 0 HG12 VAL A 109 -6.521 -1.155 -0.571 1.00 54.32 H new ATOM 0 HG13 VAL A 109 -5.621 -1.581 -2.046 1.00 54.32 H new ATOM 0 HG21 VAL A 109 -6.920 -4.412 -2.331 1.00 41.01 H new ATOM 0 HG22 VAL A 109 -5.168 -4.155 -2.511 1.00 41.01 H new ATOM 0 HG23 VAL A 109 -5.778 -5.331 -1.322 1.00 41.01 H new ATOM 1648 N VAL A 110 -4.218 -0.950 1.061 1.00 14.43 N ATOM 1649 CA VAL A 110 -4.311 0.137 2.060 1.00 44.43 C ATOM 1650 C VAL A 110 -5.030 1.364 1.445 1.00 15.13 C ATOM 1651 O VAL A 110 -4.434 2.126 0.683 1.00 2.25 O ATOM 1652 CB VAL A 110 -2.885 0.568 2.590 1.00 61.10 C ATOM 1653 CG1 VAL A 110 -2.986 1.583 3.764 1.00 71.04 C ATOM 1654 CG2 VAL A 110 -2.030 -0.666 2.977 1.00 33.21 C ATOM 0 H VAL A 110 -3.649 -0.714 0.248 1.00 14.43 H new ATOM 0 HA VAL A 110 -4.885 -0.241 2.906 1.00 44.43 H new ATOM 0 HB VAL A 110 -2.377 1.077 1.771 1.00 61.10 H new ATOM 0 HG11 VAL A 110 -1.984 1.853 4.099 1.00 71.04 H new ATOM 0 HG12 VAL A 110 -3.510 2.478 3.427 1.00 71.04 H new ATOM 0 HG13 VAL A 110 -3.535 1.130 4.590 1.00 71.04 H new ATOM 0 HG21 VAL A 110 -1.056 -0.335 3.337 1.00 33.21 H new ATOM 0 HG22 VAL A 110 -2.536 -1.227 3.762 1.00 33.21 H new ATOM 0 HG23 VAL A 110 -1.896 -1.304 2.104 1.00 33.21 H new ATOM 1664 N TYR A 111 -6.321 1.520 1.773 1.00 54.43 N ATOM 1665 CA TYR A 111 -7.106 2.723 1.431 1.00 30.31 C ATOM 1666 C TYR A 111 -6.856 3.805 2.491 1.00 51.15 C ATOM 1667 O TYR A 111 -7.021 3.559 3.691 1.00 60.24 O ATOM 1668 CB TYR A 111 -8.623 2.389 1.351 1.00 53.32 C ATOM 1669 CG TYR A 111 -9.546 3.612 1.172 1.00 4.04 C ATOM 1670 CD1 TYR A 111 -9.672 4.243 -0.062 1.00 0.02 C ATOM 1671 CD2 TYR A 111 -10.289 4.140 2.244 1.00 73.44 C ATOM 1672 CE1 TYR A 111 -10.483 5.347 -0.222 1.00 61.14 C ATOM 1673 CE2 TYR A 111 -11.098 5.248 2.079 1.00 61.23 C ATOM 1674 CZ TYR A 111 -11.195 5.841 0.841 1.00 42.42 C ATOM 1675 OH TYR A 111 -11.999 6.947 0.669 1.00 54.52 O ATOM 0 H TYR A 111 -6.854 0.816 2.284 1.00 54.43 H new ATOM 0 HA TYR A 111 -6.791 3.088 0.453 1.00 30.31 H new ATOM 0 HB2 TYR A 111 -8.786 1.703 0.520 1.00 53.32 H new ATOM 0 HB3 TYR A 111 -8.913 1.862 2.260 1.00 53.32 H new ATOM 0 HD1 TYR A 111 -9.124 3.861 -0.911 1.00 0.02 H new ATOM 0 HD2 TYR A 111 -10.226 3.670 3.214 1.00 73.44 H new ATOM 0 HE1 TYR A 111 -10.558 5.824 -1.188 1.00 61.14 H new ATOM 0 HE2 TYR A 111 -11.651 5.646 2.917 1.00 61.23 H new ATOM 0 HH TYR A 111 -12.436 7.169 1.518 1.00 54.52 H new ATOM 1685 N VAL A 112 -6.464 4.997 2.040 1.00 34.21 N ATOM 1686 CA VAL A 112 -6.256 6.146 2.924 1.00 21.02 C ATOM 1687 C VAL A 112 -7.493 7.082 2.874 1.00 71.24 C ATOM 1688 O VAL A 112 -7.786 7.656 1.813 1.00 30.15 O ATOM 1689 CB VAL A 112 -4.957 6.933 2.534 1.00 43.11 C ATOM 1690 CG1 VAL A 112 -4.669 8.064 3.549 1.00 14.31 C ATOM 1691 CG2 VAL A 112 -3.746 5.974 2.402 1.00 73.02 C ATOM 0 H VAL A 112 -6.282 5.194 1.056 1.00 34.21 H new ATOM 0 HA VAL A 112 -6.129 5.777 3.942 1.00 21.02 H new ATOM 0 HB VAL A 112 -5.122 7.395 1.561 1.00 43.11 H new ATOM 0 HG11 VAL A 112 -3.763 8.594 3.256 1.00 14.31 H new ATOM 0 HG12 VAL A 112 -5.508 8.760 3.566 1.00 14.31 H new ATOM 0 HG13 VAL A 112 -4.533 7.636 4.542 1.00 14.31 H new ATOM 0 HG21 VAL A 112 -2.858 6.545 2.131 1.00 73.02 H new ATOM 0 HG22 VAL A 112 -3.577 5.469 3.353 1.00 73.02 H new ATOM 0 HG23 VAL A 112 -3.951 5.233 1.629 1.00 73.02 H new ATOM 1701 N PRO A 113 -8.275 7.201 4.000 1.00 50.40 N ATOM 1702 CA PRO A 113 -9.381 8.178 4.106 1.00 22.41 C ATOM 1703 C PRO A 113 -8.869 9.597 4.497 1.00 30.13 C ATOM 1704 O PRO A 113 -7.828 9.732 5.156 1.00 3.40 O ATOM 1705 CB PRO A 113 -10.302 7.563 5.210 1.00 1.41 C ATOM 1706 CG PRO A 113 -9.631 6.277 5.651 1.00 25.22 C ATOM 1707 CD PRO A 113 -8.181 6.393 5.241 1.00 63.23 C ATOM 0 HA PRO A 113 -9.901 8.331 3.160 1.00 22.41 H new ATOM 0 HB2 PRO A 113 -10.417 8.250 6.049 1.00 1.41 H new ATOM 0 HB3 PRO A 113 -11.301 7.367 4.819 1.00 1.41 H new ATOM 0 HG2 PRO A 113 -9.721 6.141 6.729 1.00 25.22 H new ATOM 0 HG3 PRO A 113 -10.100 5.413 5.181 1.00 25.22 H new ATOM 0 HD2 PRO A 113 -7.579 6.886 6.004 1.00 63.23 H new ATOM 0 HD3 PRO A 113 -7.729 5.418 5.060 1.00 63.23 H new ATOM 1715 N GLU A 114 -9.607 10.642 4.078 1.00 21.04 N ATOM 1716 CA GLU A 114 -9.310 12.053 4.415 1.00 31.21 C ATOM 1717 C GLU A 114 -9.482 12.320 5.936 1.00 74.41 C ATOM 1718 O GLU A 114 -10.604 12.263 6.460 1.00 73.00 O ATOM 1719 CB GLU A 114 -10.251 12.966 3.554 1.00 2.04 C ATOM 1720 CG GLU A 114 -10.398 14.450 3.994 1.00 55.04 C ATOM 1721 CD GLU A 114 -9.159 15.344 3.814 1.00 31.41 C ATOM 1722 OE1 GLU A 114 -8.104 14.890 3.315 1.00 4.15 O ATOM 1723 OE2 GLU A 114 -9.253 16.547 4.144 1.00 72.13 O ATOM 0 H GLU A 114 -10.434 10.533 3.491 1.00 21.04 H new ATOM 0 HA GLU A 114 -8.269 12.280 4.184 1.00 31.21 H new ATOM 0 HB2 GLU A 114 -9.887 12.953 2.527 1.00 2.04 H new ATOM 0 HB3 GLU A 114 -11.244 12.516 3.546 1.00 2.04 H new ATOM 0 HG2 GLU A 114 -11.222 14.892 3.434 1.00 55.04 H new ATOM 0 HG3 GLU A 114 -10.682 14.468 5.046 1.00 55.04 H new ATOM 1730 N ALA A 115 -8.355 12.581 6.633 1.00 22.23 N ATOM 1731 CA ALA A 115 -8.342 12.849 8.092 1.00 71.24 C ATOM 1732 C ALA A 115 -9.010 14.206 8.450 1.00 1.45 C ATOM 1733 O ALA A 115 -9.085 15.121 7.614 1.00 52.41 O ATOM 1734 CB ALA A 115 -6.892 12.780 8.622 1.00 1.23 C ATOM 0 H ALA A 115 -7.430 12.612 6.204 1.00 22.23 H new ATOM 0 HA ALA A 115 -8.937 12.078 8.581 1.00 71.24 H new ATOM 0 HB1 ALA A 115 -6.887 12.977 9.694 1.00 1.23 H new ATOM 0 HB2 ALA A 115 -6.483 11.787 8.434 1.00 1.23 H new ATOM 0 HB3 ALA A 115 -6.283 13.526 8.113 1.00 1.23 H new ATOM 1740 N ASP A 116 -9.496 14.321 9.705 1.00 62.24 N ATOM 1741 CA ASP A 116 -10.138 15.557 10.233 1.00 21.40 C ATOM 1742 C ASP A 116 -9.065 16.656 10.433 1.00 24.32 C ATOM 1743 O ASP A 116 -7.996 16.338 10.861 1.00 42.52 O ATOM 1744 CB ASP A 116 -10.838 15.238 11.579 1.00 53.04 C ATOM 1745 CG ASP A 116 -11.599 16.441 12.166 1.00 24.52 C ATOM 1746 OD1 ASP A 116 -12.777 16.641 11.811 1.00 15.44 O ATOM 1747 OD2 ASP A 116 -11.014 17.208 12.963 1.00 61.33 O ATOM 0 H ASP A 116 -9.457 13.562 10.385 1.00 62.24 H new ATOM 0 HA ASP A 116 -10.881 15.918 9.522 1.00 21.40 H new ATOM 0 HB2 ASP A 116 -11.534 14.412 11.432 1.00 53.04 H new ATOM 0 HB3 ASP A 116 -10.092 14.902 12.299 1.00 53.04 H new ATOM 1752 N VAL A 117 -9.373 17.928 10.136 1.00 75.22 N ATOM 1753 CA VAL A 117 -8.375 19.056 10.117 1.00 64.15 C ATOM 1754 C VAL A 117 -7.323 19.058 11.294 1.00 72.43 C ATOM 1755 O VAL A 117 -6.131 19.312 11.059 1.00 61.12 O ATOM 1756 CB VAL A 117 -9.106 20.446 10.065 1.00 35.31 C ATOM 1757 CG1 VAL A 117 -8.107 21.621 9.913 1.00 61.31 C ATOM 1758 CG2 VAL A 117 -10.170 20.481 8.937 1.00 70.23 C ATOM 0 H VAL A 117 -10.320 18.224 9.899 1.00 75.22 H new ATOM 0 HA VAL A 117 -7.797 18.884 9.209 1.00 64.15 H new ATOM 0 HB VAL A 117 -9.617 20.571 11.020 1.00 35.31 H new ATOM 0 HG11 VAL A 117 -8.655 22.563 9.881 1.00 61.31 H new ATOM 0 HG12 VAL A 117 -7.422 21.628 10.761 1.00 61.31 H new ATOM 0 HG13 VAL A 117 -7.540 21.500 8.990 1.00 61.31 H new ATOM 0 HG21 VAL A 117 -10.658 21.456 8.927 1.00 70.23 H new ATOM 0 HG22 VAL A 117 -9.687 20.307 7.976 1.00 70.23 H new ATOM 0 HG23 VAL A 117 -10.914 19.705 9.115 1.00 70.23 H new ATOM 1768 N THR A 118 -7.755 18.739 12.538 1.00 10.14 N ATOM 1769 CA THR A 118 -6.852 18.758 13.739 1.00 64.01 C ATOM 1770 C THR A 118 -5.830 17.577 13.752 1.00 11.40 C ATOM 1771 O THR A 118 -4.699 17.724 14.240 1.00 13.21 O ATOM 1772 CB THR A 118 -7.663 18.768 15.078 1.00 21.15 C ATOM 1773 OG1 THR A 118 -6.777 18.868 16.206 1.00 41.02 O ATOM 1774 CG2 THR A 118 -8.565 17.531 15.240 1.00 11.24 C ATOM 0 H THR A 118 -8.715 18.466 12.747 1.00 10.14 H new ATOM 0 HA THR A 118 -6.286 19.686 13.661 1.00 64.01 H new ATOM 0 HB THR A 118 -8.311 19.643 15.037 1.00 21.15 H new ATOM 0 HG1 THR A 118 -7.301 18.874 17.034 1.00 41.02 H new ATOM 0 HG21 THR A 118 -9.102 17.594 16.186 1.00 11.24 H new ATOM 0 HG22 THR A 118 -9.281 17.492 14.419 1.00 11.24 H new ATOM 0 HG23 THR A 118 -7.952 16.630 15.230 1.00 11.24 H new ATOM 1782 N HIS A 119 -6.259 16.410 13.254 1.00 64.24 N ATOM 1783 CA HIS A 119 -5.392 15.237 12.960 1.00 54.54 C ATOM 1784 C HIS A 119 -5.874 14.648 11.632 1.00 31.32 C ATOM 1785 O HIS A 119 -6.624 13.676 11.653 1.00 53.00 O ATOM 1786 CB HIS A 119 -5.410 14.194 14.118 1.00 4.44 C ATOM 1787 CG HIS A 119 -6.692 14.099 14.922 1.00 12.23 C ATOM 1788 ND1 HIS A 119 -6.702 14.361 16.273 1.00 34.52 N ATOM 1789 CD2 HIS A 119 -7.948 13.758 14.534 1.00 0.51 C ATOM 1790 CE1 HIS A 119 -7.942 14.175 16.671 1.00 53.12 C ATOM 1791 NE2 HIS A 119 -8.733 13.810 15.653 1.00 71.50 N ATOM 0 H HIS A 119 -7.241 16.240 13.035 1.00 64.24 H new ATOM 0 HA HIS A 119 -4.349 15.542 12.876 1.00 54.54 H new ATOM 0 HB2 HIS A 119 -5.198 13.212 13.696 1.00 4.44 H new ATOM 0 HB3 HIS A 119 -4.595 14.429 14.802 1.00 4.44 H new ATOM 0 HD2 HIS A 119 -8.266 13.496 13.535 1.00 0.51 H new ATOM 0 HE1 HIS A 119 -8.280 14.301 17.689 1.00 53.12 H new ATOM 0 HE2 HIS A 119 -9.732 13.609 15.703 1.00 71.50 H new ATOM 1799 N LYS A 120 -5.533 15.198 10.423 1.00 71.21 N ATOM 1800 CA LYS A 120 -4.232 15.736 9.867 1.00 32.12 C ATOM 1801 C LYS A 120 -3.290 16.753 10.654 1.00 1.24 C ATOM 1802 O LYS A 120 -3.282 16.839 11.865 1.00 55.43 O ATOM 1803 CB LYS A 120 -4.569 16.228 8.428 1.00 51.54 C ATOM 1804 CG LYS A 120 -5.705 17.273 8.338 1.00 1.24 C ATOM 1805 CD LYS A 120 -5.960 17.740 6.888 1.00 33.35 C ATOM 1806 CE LYS A 120 -6.387 16.581 5.973 1.00 53.14 C ATOM 1807 NZ LYS A 120 -6.474 16.988 4.558 1.00 0.42 N ATOM 0 H LYS A 120 -6.261 15.289 9.714 1.00 71.21 H new ATOM 0 HA LYS A 120 -3.548 14.892 9.956 1.00 32.12 H new ATOM 0 HB2 LYS A 120 -3.668 16.655 7.987 1.00 51.54 H new ATOM 0 HB3 LYS A 120 -4.842 15.365 7.821 1.00 51.54 H new ATOM 0 HG2 LYS A 120 -6.621 16.846 8.746 1.00 1.24 H new ATOM 0 HG3 LYS A 120 -5.452 18.135 8.956 1.00 1.24 H new ATOM 0 HD2 LYS A 120 -6.734 18.507 6.886 1.00 33.35 H new ATOM 0 HD3 LYS A 120 -5.055 18.200 6.491 1.00 33.35 H new ATOM 0 HE2 LYS A 120 -5.674 15.763 6.070 1.00 53.14 H new ATOM 0 HE3 LYS A 120 -7.355 16.201 6.300 1.00 53.14 H new ATOM 0 HZ1 LYS A 120 -6.814 16.188 3.987 1.00 0.42 H new ATOM 0 HZ2 LYS A 120 -7.136 17.785 4.466 1.00 0.42 H new ATOM 0 HZ3 LYS A 120 -5.534 17.278 4.222 1.00 0.42 H new ATOM 1821 N PRO A 121 -2.432 17.585 9.947 1.00 0.42 N ATOM 1822 CA PRO A 121 -0.965 17.576 10.164 1.00 61.33 C ATOM 1823 C PRO A 121 -0.399 16.368 10.968 1.00 42.52 C ATOM 1824 O PRO A 121 0.079 16.496 12.105 1.00 5.30 O ATOM 1825 CB PRO A 121 -0.784 18.959 10.812 1.00 11.42 C ATOM 1826 CG PRO A 121 -1.796 19.837 10.065 1.00 31.02 C ATOM 1827 CD PRO A 121 -2.745 18.887 9.306 1.00 73.42 C ATOM 0 HA PRO A 121 -0.381 17.427 9.255 1.00 61.33 H new ATOM 0 HB2 PRO A 121 -0.989 18.931 11.882 1.00 11.42 H new ATOM 0 HB3 PRO A 121 0.234 19.329 10.692 1.00 11.42 H new ATOM 0 HG2 PRO A 121 -2.353 20.462 10.763 1.00 31.02 H new ATOM 0 HG3 PRO A 121 -1.287 20.508 9.373 1.00 31.02 H new ATOM 0 HD2 PRO A 121 -3.791 19.165 9.432 1.00 73.42 H new ATOM 0 HD3 PRO A 121 -2.544 18.876 8.235 1.00 73.42 H new ATOM 1835 N ILE A 122 -0.494 15.176 10.331 1.00 51.31 N ATOM 1836 CA ILE A 122 0.070 13.914 10.853 1.00 34.13 C ATOM 1837 C ILE A 122 1.596 13.877 10.614 1.00 33.15 C ATOM 1838 O ILE A 122 2.056 13.707 9.484 1.00 41.44 O ATOM 1839 CB ILE A 122 -0.602 12.638 10.199 1.00 23.32 C ATOM 1840 CG1 ILE A 122 -2.152 12.635 10.416 1.00 72.44 C ATOM 1841 CG2 ILE A 122 0.034 11.325 10.732 1.00 24.42 C ATOM 1842 CD1 ILE A 122 -2.599 12.626 11.869 1.00 12.50 C ATOM 0 H ILE A 122 -0.968 15.066 9.435 1.00 51.31 H new ATOM 0 HA ILE A 122 -0.141 13.886 11.922 1.00 34.13 H new ATOM 0 HB ILE A 122 -0.414 12.688 9.126 1.00 23.32 H new ATOM 0 HG12 ILE A 122 -2.573 13.514 9.928 1.00 72.44 H new ATOM 0 HG13 ILE A 122 -2.572 11.761 9.917 1.00 72.44 H new ATOM 0 HG21 ILE A 122 -0.451 10.469 10.262 1.00 24.42 H new ATOM 0 HG22 ILE A 122 1.098 11.314 10.496 1.00 24.42 H new ATOM 0 HG23 ILE A 122 -0.098 11.269 11.813 1.00 24.42 H new ATOM 0 HD11 ILE A 122 -3.688 12.625 11.915 1.00 12.50 H new ATOM 0 HD12 ILE A 122 -2.214 11.734 12.363 1.00 12.50 H new ATOM 0 HD13 ILE A 122 -2.216 13.513 12.373 1.00 12.50 H new ATOM 1854 N TYR A 123 2.356 14.129 11.680 1.00 21.11 N ATOM 1855 CA TYR A 123 3.814 13.918 11.714 1.00 21.53 C ATOM 1856 C TYR A 123 4.162 12.707 12.617 1.00 13.35 C ATOM 1857 O TYR A 123 3.453 12.415 13.597 1.00 24.02 O ATOM 1858 CB TYR A 123 4.533 15.214 12.198 1.00 30.13 C ATOM 1859 CG TYR A 123 4.051 15.762 13.563 1.00 0.33 C ATOM 1860 CD1 TYR A 123 2.992 16.677 13.642 1.00 3.41 C ATOM 1861 CD2 TYR A 123 4.655 15.364 14.760 1.00 61.05 C ATOM 1862 CE1 TYR A 123 2.561 17.166 14.859 1.00 4.24 C ATOM 1863 CE2 TYR A 123 4.225 15.851 15.972 1.00 3.50 C ATOM 1864 CZ TYR A 123 3.182 16.751 16.021 1.00 34.50 C ATOM 1865 OH TYR A 123 2.757 17.238 17.237 1.00 41.05 O ATOM 0 H TYR A 123 1.978 14.489 12.556 1.00 21.11 H new ATOM 0 HA TYR A 123 4.166 13.694 10.707 1.00 21.53 H new ATOM 0 HB2 TYR A 123 5.603 15.015 12.261 1.00 30.13 H new ATOM 0 HB3 TYR A 123 4.397 15.989 11.444 1.00 30.13 H new ATOM 0 HD1 TYR A 123 2.505 17.005 12.736 1.00 3.41 H new ATOM 0 HD2 TYR A 123 5.474 14.661 14.732 1.00 61.05 H new ATOM 0 HE1 TYR A 123 1.743 17.869 14.902 1.00 4.24 H new ATOM 0 HE2 TYR A 123 4.704 15.529 16.885 1.00 3.50 H new ATOM 0 HH TYR A 123 3.298 16.845 17.954 1.00 41.05 H new ATOM 1875 N LYS A 124 5.236 11.993 12.259 1.00 1.31 N ATOM 1876 CA LYS A 124 5.797 10.902 13.082 1.00 70.51 C ATOM 1877 C LYS A 124 6.642 11.485 14.239 1.00 2.45 C ATOM 1878 O LYS A 124 7.342 12.487 14.041 1.00 74.10 O ATOM 1879 CB LYS A 124 6.692 9.968 12.214 1.00 61.10 C ATOM 1880 CG LYS A 124 5.974 9.322 11.008 1.00 65.03 C ATOM 1881 CD LYS A 124 6.897 8.414 10.146 1.00 33.33 C ATOM 1882 CE LYS A 124 8.060 9.181 9.476 1.00 13.42 C ATOM 1883 NZ LYS A 124 7.586 10.214 8.511 1.00 53.23 N ATOM 0 H LYS A 124 5.745 12.152 11.390 1.00 1.31 H new ATOM 0 HA LYS A 124 4.968 10.325 13.492 1.00 70.51 H new ATOM 0 HB2 LYS A 124 7.544 10.541 11.848 1.00 61.10 H new ATOM 0 HB3 LYS A 124 7.090 9.176 12.849 1.00 61.10 H new ATOM 0 HG2 LYS A 124 5.133 8.731 11.371 1.00 65.03 H new ATOM 0 HG3 LYS A 124 5.561 10.109 10.377 1.00 65.03 H new ATOM 0 HD2 LYS A 124 7.307 7.624 10.775 1.00 33.33 H new ATOM 0 HD3 LYS A 124 6.299 7.929 9.374 1.00 33.33 H new ATOM 0 HE2 LYS A 124 8.666 9.659 10.246 1.00 13.42 H new ATOM 0 HE3 LYS A 124 8.705 8.473 8.956 1.00 13.42 H new ATOM 0 HZ1 LYS A 124 8.065 10.082 7.597 1.00 53.23 H new ATOM 0 HZ2 LYS A 124 6.559 10.121 8.380 1.00 53.23 H new ATOM 0 HZ3 LYS A 124 7.803 11.161 8.882 1.00 53.23 H new