USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 849 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 104 LYS NZ :NH3+ 160:sc= 0.237 (180deg=-0.521) USER MOD Set 1.2: A 105 GLN :FLIP amide:sc= 0.193 F(o=-1.6,f=0.43) USER MOD Set 2.1: A 43 THR OG1 : rot -66:sc= 0.794 USER MOD Set 2.2: A 67 MET CE :methyl -157:sc= -2.27 (180deg=-4.17!) USER MOD Set 2.3: A 71 MET CE :methyl -179:sc= -3.49 (180deg=-3.56) USER MOD Set 3.1: A 65 LYS NZ :NH3+ 159:sc= -2.24! (180deg=-3.57!) USER MOD Set 3.2: A 103 ASN :FLIP amide:sc= -0.0354 F(o=-3.7,f=-2.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= 0.0979 (180deg=0.0211) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HE2:sc= 0.581 K(o=0.58,f=-2.9!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 10 HIS : no HD1:sc= -0.211 X(o=-0.21,f=-0.056) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -130:sc= 0.0781 USER MOD Single : A 20 HIS :FLIP no HE2:sc= -0.3 F(o=-1.4,f=-0.3) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.417 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 58:sc= 0.902 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 148:sc= -0.0202 (180deg=-0.65) USER MOD Single : A 38 GLN : amide:sc= -0.071 X(o=-0.071,f=-0.45) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl -168:sc= -1.05 (180deg=-1.19) USER MOD Single : A 44 ASN : amide:sc= -0.436 X(o=-0.44,f=-0.86) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 140:sc= -0.894 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.24 F(o=-0.81,f=-0.24) USER MOD Single : A 66 THR OG1 : rot 78:sc= -0.131 USER MOD Single : A 72 LYS NZ :NH3+ 147:sc= -0.481 (180deg=-1.38!) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.208 F(o=-0.98,f=-0.21) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -141:sc= -0.0304 (180deg=-0.426) USER MOD Single : A 88 ASN : amide:sc= 0.192 X(o=0.19,f=-0.0036) USER MOD Single : A 89 TYR OH : rot -52:sc= 0.158 USER MOD Single : A 90 THR OG1 : rot 29:sc= 0.18 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot -59:sc= 0.999 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.253 17.348 28.195 1.00 2.13 N ATOM 2 CA MET A 1 0.060 16.900 27.486 1.00 33.21 C ATOM 3 C MET A 1 0.079 17.375 26.037 1.00 74.52 C ATOM 4 O MET A 1 0.012 18.573 25.765 1.00 75.01 O ATOM 5 CB MET A 1 -1.199 17.415 28.188 1.00 63.44 C ATOM 6 CG MET A 1 -1.703 16.491 29.286 1.00 12.53 C ATOM 7 SD MET A 1 -0.910 16.805 30.875 1.00 75.20 S ATOM 8 CE MET A 1 -1.855 15.722 31.944 1.00 10.24 C ATOM 0 H1 MET A 1 1.062 17.369 29.217 1.00 2.13 H new ATOM 0 H2 MET A 1 2.037 16.693 28.003 1.00 2.13 H new ATOM 0 H3 MET A 1 1.512 18.302 27.871 1.00 2.13 H new ATOM 0 HA MET A 1 0.051 15.810 27.492 1.00 33.21 H new ATOM 0 HB2 MET A 1 -0.991 18.395 28.616 1.00 63.44 H new ATOM 0 HB3 MET A 1 -1.988 17.551 27.448 1.00 63.44 H new ATOM 0 HG2 MET A 1 -2.781 16.613 29.392 1.00 12.53 H new ATOM 0 HG3 MET A 1 -1.526 15.456 28.994 1.00 12.53 H new ATOM 0 HE1 MET A 1 -1.483 15.803 32.965 1.00 10.24 H new ATOM 0 HE2 MET A 1 -2.906 16.010 31.917 1.00 10.24 H new ATOM 0 HE3 MET A 1 -1.752 14.692 31.601 1.00 10.24 H new ATOM 18 N GLY A 2 0.169 16.427 25.110 1.00 51.02 N ATOM 19 CA GLY A 2 0.194 16.769 23.699 1.00 24.25 C ATOM 20 C GLY A 2 0.640 15.609 22.830 1.00 54.34 C ATOM 21 O GLY A 2 1.719 15.053 23.030 1.00 22.31 O ATOM 0 H GLY A 2 0.225 15.428 25.310 1.00 51.02 H new ATOM 0 HA2 GLY A 2 -0.800 17.091 23.388 1.00 24.25 H new ATOM 0 HA3 GLY A 2 0.865 17.614 23.545 1.00 24.25 H new ATOM 25 N SER A 3 -0.195 15.244 21.862 1.00 43.13 N ATOM 26 CA SER A 3 0.116 14.139 20.962 1.00 42.12 C ATOM 27 C SER A 3 1.341 14.460 20.110 1.00 10.04 C ATOM 28 O SER A 3 1.293 15.324 19.234 1.00 22.32 O ATOM 29 CB SER A 3 -1.081 13.838 20.059 1.00 62.41 C ATOM 30 OG SER A 3 -2.276 13.731 20.814 1.00 24.42 O ATOM 0 H SER A 3 -1.091 15.697 21.681 1.00 43.13 H new ATOM 0 HA SER A 3 0.336 13.260 21.568 1.00 42.12 H new ATOM 0 HB2 SER A 3 -1.187 14.628 19.315 1.00 62.41 H new ATOM 0 HB3 SER A 3 -0.906 12.909 19.516 1.00 62.41 H new ATOM 0 HG SER A 3 -3.026 13.540 20.213 1.00 24.42 H new ATOM 36 N SER A 4 2.439 13.759 20.376 1.00 32.23 N ATOM 37 CA SER A 4 3.679 13.971 19.638 1.00 73.34 C ATOM 38 C SER A 4 4.219 12.652 19.095 1.00 51.30 C ATOM 39 O SER A 4 5.194 12.105 19.615 1.00 54.44 O ATOM 40 CB SER A 4 4.725 14.632 20.536 1.00 1.41 C ATOM 41 OG SER A 4 4.303 15.923 20.946 1.00 21.32 O ATOM 0 H SER A 4 2.495 13.040 21.097 1.00 32.23 H new ATOM 0 HA SER A 4 3.464 14.630 18.797 1.00 73.34 H new ATOM 0 HB2 SER A 4 4.903 14.009 21.412 1.00 1.41 H new ATOM 0 HB3 SER A 4 5.672 14.708 20.002 1.00 1.41 H new ATOM 0 HG SER A 4 4.988 16.324 21.521 1.00 21.32 H new ATOM 47 N HIS A 5 3.580 12.145 18.045 1.00 30.05 N ATOM 48 CA HIS A 5 3.997 10.890 17.430 1.00 53.11 C ATOM 49 C HIS A 5 5.183 11.110 16.496 1.00 60.03 C ATOM 50 O HIS A 5 6.303 10.687 16.787 1.00 52.33 O ATOM 51 CB HIS A 5 2.835 10.266 16.657 1.00 35.44 C ATOM 52 CG HIS A 5 1.664 9.907 17.522 1.00 45.31 C ATOM 53 ND1 HIS A 5 0.483 9.404 17.019 1.00 3.24 N ATOM 54 CD2 HIS A 5 1.500 9.981 18.863 1.00 73.10 C ATOM 55 CE1 HIS A 5 -0.358 9.185 18.014 1.00 51.24 C ATOM 56 NE2 HIS A 5 0.235 9.526 19.144 1.00 53.10 N ATOM 0 H HIS A 5 2.772 12.584 17.603 1.00 30.05 H new ATOM 0 HA HIS A 5 4.303 10.209 18.224 1.00 53.11 H new ATOM 0 HB2 HIS A 5 2.507 10.963 15.886 1.00 35.44 H new ATOM 0 HB3 HIS A 5 3.188 9.370 16.147 1.00 35.44 H new ATOM 0 HD2 HIS A 5 2.228 10.332 19.579 1.00 73.10 H new ATOM 0 HE1 HIS A 5 -1.360 8.794 17.920 1.00 51.24 H new ATOM 0 HE2 HIS A 5 -0.179 9.462 20.074 1.00 53.10 H new ATOM 65 N HIS A 6 4.931 11.773 15.372 1.00 34.01 N ATOM 66 CA HIS A 6 5.978 12.050 14.395 1.00 20.40 C ATOM 67 C HIS A 6 6.570 10.752 13.852 1.00 13.21 C ATOM 68 O HIS A 6 7.789 10.576 13.829 1.00 52.15 O ATOM 69 CB HIS A 6 7.080 12.903 15.024 1.00 73.23 C ATOM 70 CG HIS A 6 7.813 13.757 14.036 1.00 2.25 C ATOM 71 ND1 HIS A 6 7.332 14.968 13.584 1.00 73.41 N ATOM 72 CD2 HIS A 6 9.000 13.570 13.415 1.00 4.55 C ATOM 73 CE1 HIS A 6 8.190 15.488 12.727 1.00 63.13 C ATOM 74 NE2 HIS A 6 9.213 14.660 12.606 1.00 13.11 N ATOM 0 H HIS A 6 4.010 12.129 15.115 1.00 34.01 H new ATOM 0 HA HIS A 6 5.532 12.601 13.567 1.00 20.40 H new ATOM 0 HB2 HIS A 6 6.641 13.543 15.790 1.00 73.23 H new ATOM 0 HB3 HIS A 6 7.793 12.249 15.526 1.00 73.23 H new ATOM 0 HD2 HIS A 6 9.658 12.722 13.533 1.00 4.55 H new ATOM 0 HE1 HIS A 6 8.076 16.430 12.212 1.00 63.13 H new ATOM 0 HE2 HIS A 6 10.027 14.806 12.010 1.00 13.11 H new ATOM 83 N HIS A 7 5.700 9.846 13.418 1.00 2.03 N ATOM 84 CA HIS A 7 6.138 8.564 12.876 1.00 31.12 C ATOM 85 C HIS A 7 6.766 8.744 11.497 1.00 11.05 C ATOM 86 O HIS A 7 6.587 9.777 10.851 1.00 22.05 O ATOM 87 CB HIS A 7 4.959 7.594 12.789 1.00 33.24 C ATOM 88 CG HIS A 7 3.952 7.966 11.745 1.00 43.10 C ATOM 89 ND1 HIS A 7 4.082 7.619 10.417 1.00 45.34 N ATOM 90 CD2 HIS A 7 2.793 8.658 11.839 1.00 54.32 C ATOM 91 CE1 HIS A 7 3.048 8.083 9.738 1.00 23.44 C ATOM 92 NE2 HIS A 7 2.250 8.717 10.579 1.00 72.14 N ATOM 0 H HIS A 7 4.688 9.975 13.431 1.00 2.03 H new ATOM 0 HA HIS A 7 6.890 8.151 13.548 1.00 31.12 H new ATOM 0 HB2 HIS A 7 5.337 6.594 12.577 1.00 33.24 H new ATOM 0 HB3 HIS A 7 4.464 7.549 13.759 1.00 33.24 H new ATOM 0 HD1 HIS A 7 4.856 7.087 10.020 1.00 45.34 H new ATOM 0 HD2 HIS A 7 2.373 9.085 12.738 1.00 54.32 H new ATOM 0 HE1 HIS A 7 2.883 7.964 8.677 1.00 23.44 H new ATOM 101 N HIS A 8 7.505 7.731 11.052 1.00 35.10 N ATOM 102 CA HIS A 8 8.160 7.778 9.750 1.00 1.31 C ATOM 103 C HIS A 8 7.270 7.166 8.672 1.00 44.32 C ATOM 104 O HIS A 8 6.343 6.414 8.971 1.00 63.01 O ATOM 105 CB HIS A 8 9.498 7.040 9.803 1.00 41.20 C ATOM 106 CG HIS A 8 10.577 7.805 10.507 1.00 34.22 C ATOM 107 ND1 HIS A 8 11.306 8.806 9.903 1.00 33.04 N ATOM 108 CD2 HIS A 8 11.045 7.711 11.774 1.00 24.21 C ATOM 109 CE1 HIS A 8 12.179 9.294 10.766 1.00 30.14 C ATOM 110 NE2 HIS A 8 12.041 8.648 11.909 1.00 23.53 N ATOM 0 H HIS A 8 7.664 6.869 11.574 1.00 35.10 H new ATOM 0 HA HIS A 8 8.339 8.823 9.498 1.00 1.31 H new ATOM 0 HB2 HIS A 8 9.356 6.083 10.305 1.00 41.20 H new ATOM 0 HB3 HIS A 8 9.823 6.821 8.786 1.00 41.20 H new ATOM 0 HD2 HIS A 8 10.700 7.028 12.536 1.00 24.21 H new ATOM 0 HE1 HIS A 8 12.886 10.087 10.570 1.00 30.14 H new ATOM 0 HE2 HIS A 8 12.585 8.817 12.755 1.00 23.53 H new ATOM 119 N HIS A 9 7.559 7.495 7.417 1.00 14.11 N ATOM 120 CA HIS A 9 6.785 6.978 6.294 1.00 71.40 C ATOM 121 C HIS A 9 7.705 6.431 5.207 1.00 50.12 C ATOM 122 O HIS A 9 7.443 6.599 4.015 1.00 63.04 O ATOM 123 CB HIS A 9 5.889 8.075 5.717 1.00 64.14 C ATOM 124 CG HIS A 9 6.606 9.367 5.477 1.00 53.54 C ATOM 125 ND1 HIS A 9 6.762 10.333 6.448 1.00 23.20 N ATOM 126 CD2 HIS A 9 7.210 9.852 4.366 1.00 31.50 C ATOM 127 CE1 HIS A 9 7.431 11.355 5.946 1.00 51.44 C ATOM 128 NE2 HIS A 9 7.715 11.089 4.684 1.00 53.03 N ATOM 0 H HIS A 9 8.323 8.117 7.152 1.00 14.11 H new ATOM 0 HA HIS A 9 6.159 6.164 6.659 1.00 71.40 H new ATOM 0 HB2 HIS A 9 5.461 7.726 4.777 1.00 64.14 H new ATOM 0 HB3 HIS A 9 5.058 8.251 6.400 1.00 64.14 H new ATOM 0 HD2 HIS A 9 7.281 9.358 3.408 1.00 31.50 H new ATOM 0 HE1 HIS A 9 7.700 12.256 6.478 1.00 51.44 H new ATOM 0 HE2 HIS A 9 8.226 11.702 4.049 1.00 53.03 H new ATOM 137 N HIS A 10 8.783 5.775 5.624 1.00 14.45 N ATOM 138 CA HIS A 10 9.741 5.203 4.686 1.00 4.11 C ATOM 139 C HIS A 10 9.760 3.681 4.787 1.00 73.44 C ATOM 140 O HIS A 10 9.727 3.122 5.883 1.00 25.42 O ATOM 141 CB HIS A 10 11.141 5.760 4.950 1.00 25.35 C ATOM 142 CG HIS A 10 11.443 7.011 4.185 1.00 21.02 C ATOM 143 ND1 HIS A 10 12.255 8.014 4.673 1.00 43.33 N ATOM 144 CD2 HIS A 10 11.037 7.419 2.960 1.00 4.24 C ATOM 145 CE1 HIS A 10 12.334 8.985 3.780 1.00 30.14 C ATOM 146 NE2 HIS A 10 11.605 8.649 2.732 1.00 61.32 N ATOM 0 H HIS A 10 9.015 5.626 6.606 1.00 14.45 H new ATOM 0 HA HIS A 10 9.432 5.479 3.678 1.00 4.11 H new ATOM 0 HB2 HIS A 10 11.248 5.961 6.016 1.00 25.35 H new ATOM 0 HB3 HIS A 10 11.879 5.000 4.694 1.00 25.35 H new ATOM 0 HD2 HIS A 10 10.388 6.878 2.287 1.00 4.24 H new ATOM 0 HE1 HIS A 10 12.899 9.899 3.889 1.00 30.14 H new ATOM 0 HE2 HIS A 10 11.483 9.211 1.890 1.00 61.32 H new ATOM 155 N SER A 11 9.809 3.017 3.637 1.00 51.33 N ATOM 156 CA SER A 11 9.826 1.560 3.595 1.00 62.21 C ATOM 157 C SER A 11 10.808 1.057 2.542 1.00 42.41 C ATOM 158 O SER A 11 11.513 1.843 1.909 1.00 11.31 O ATOM 159 CB SER A 11 8.425 1.020 3.301 1.00 75.33 C ATOM 160 OG SER A 11 7.818 1.730 2.235 1.00 50.42 O ATOM 0 H SER A 11 9.838 3.465 2.721 1.00 51.33 H new ATOM 0 HA SER A 11 10.150 1.198 4.571 1.00 62.21 H new ATOM 0 HB2 SER A 11 8.485 -0.039 3.049 1.00 75.33 H new ATOM 0 HB3 SER A 11 7.806 1.100 4.195 1.00 75.33 H new ATOM 0 HG SER A 11 6.925 1.365 2.066 1.00 50.42 H new ATOM 166 N SER A 12 10.848 -0.259 2.359 1.00 22.42 N ATOM 167 CA SER A 12 11.746 -0.868 1.385 1.00 70.34 C ATOM 168 C SER A 12 11.157 -2.166 0.841 1.00 63.32 C ATOM 169 O SER A 12 10.652 -2.996 1.595 1.00 24.22 O ATOM 170 CB SER A 12 13.111 -1.141 2.019 1.00 51.13 C ATOM 171 OG SER A 12 14.044 -1.586 1.049 1.00 24.14 O ATOM 0 H SER A 12 10.269 -0.924 2.872 1.00 22.42 H new ATOM 0 HA SER A 12 11.871 -0.170 0.557 1.00 70.34 H new ATOM 0 HB2 SER A 12 13.482 -0.234 2.496 1.00 51.13 H new ATOM 0 HB3 SER A 12 13.008 -1.893 2.801 1.00 51.13 H new ATOM 0 HG SER A 12 14.909 -1.752 1.479 1.00 24.14 H new ATOM 177 N GLY A 13 11.226 -2.333 -0.477 1.00 35.14 N ATOM 178 CA GLY A 13 10.696 -3.531 -1.102 1.00 31.42 C ATOM 179 C GLY A 13 10.685 -3.440 -2.615 1.00 22.13 C ATOM 180 O GLY A 13 9.621 -3.395 -3.234 1.00 21.02 O ATOM 0 H GLY A 13 11.639 -1.660 -1.122 1.00 35.14 H new ATOM 0 HA2 GLY A 13 11.293 -4.390 -0.797 1.00 31.42 H new ATOM 0 HA3 GLY A 13 9.681 -3.705 -0.744 1.00 31.42 H new ATOM 184 N LEU A 14 11.871 -3.411 -3.212 1.00 62.32 N ATOM 185 CA LEU A 14 11.994 -3.323 -4.664 1.00 23.23 C ATOM 186 C LEU A 14 13.142 -4.192 -5.166 1.00 4.43 C ATOM 187 O LEU A 14 14.264 -4.107 -4.666 1.00 42.25 O ATOM 188 CB LEU A 14 12.215 -1.870 -5.088 1.00 61.32 C ATOM 189 CG LEU A 14 11.668 -1.483 -6.463 1.00 75.11 C ATOM 190 CD1 LEU A 14 11.951 -0.018 -6.757 1.00 43.23 C ATOM 191 CD2 LEU A 14 12.265 -2.371 -7.545 1.00 71.30 C ATOM 0 H LEU A 14 12.761 -3.447 -2.715 1.00 62.32 H new ATOM 0 HA LEU A 14 11.067 -3.687 -5.107 1.00 23.23 H new ATOM 0 HB2 LEU A 14 11.758 -1.221 -4.341 1.00 61.32 H new ATOM 0 HB3 LEU A 14 13.286 -1.667 -5.075 1.00 61.32 H new ATOM 0 HG LEU A 14 10.588 -1.629 -6.457 1.00 75.11 H new ATOM 0 HD11 LEU A 14 11.555 0.239 -7.739 1.00 43.23 H new ATOM 0 HD12 LEU A 14 11.474 0.604 -5.999 1.00 43.23 H new ATOM 0 HD13 LEU A 14 13.027 0.155 -6.743 1.00 43.23 H new ATOM 0 HD21 LEU A 14 11.864 -2.081 -8.516 1.00 71.30 H new ATOM 0 HD22 LEU A 14 13.349 -2.258 -7.551 1.00 71.30 H new ATOM 0 HD23 LEU A 14 12.010 -3.411 -7.343 1.00 71.30 H new ATOM 203 N VAL A 15 12.855 -5.027 -6.160 1.00 21.12 N ATOM 204 CA VAL A 15 13.864 -5.909 -6.733 1.00 30.33 C ATOM 205 C VAL A 15 13.741 -5.972 -8.252 1.00 33.42 C ATOM 206 O VAL A 15 12.681 -5.719 -8.824 1.00 72.12 O ATOM 207 CB VAL A 15 13.753 -7.335 -6.161 1.00 24.43 C ATOM 208 CG1 VAL A 15 14.358 -7.399 -4.766 1.00 71.25 C ATOM 209 CG2 VAL A 15 12.302 -7.790 -6.143 1.00 23.40 C ATOM 0 H VAL A 15 11.932 -5.111 -6.585 1.00 21.12 H new ATOM 0 HA VAL A 15 14.836 -5.493 -6.467 1.00 30.33 H new ATOM 0 HB VAL A 15 14.314 -8.012 -6.806 1.00 24.43 H new ATOM 0 HG11 VAL A 15 14.271 -8.414 -4.378 1.00 71.25 H new ATOM 0 HG12 VAL A 15 15.410 -7.118 -4.812 1.00 71.25 H new ATOM 0 HG13 VAL A 15 13.827 -6.712 -4.107 1.00 71.25 H new ATOM 0 HG21 VAL A 15 12.242 -8.799 -5.736 1.00 23.40 H new ATOM 0 HG22 VAL A 15 11.716 -7.113 -5.522 1.00 23.40 H new ATOM 0 HG23 VAL A 15 11.906 -7.784 -7.159 1.00 23.40 H new ATOM 219 N PRO A 16 14.850 -6.317 -8.921 1.00 43.04 N ATOM 220 CA PRO A 16 14.892 -6.423 -10.382 1.00 42.44 C ATOM 221 C PRO A 16 14.090 -7.612 -10.902 1.00 5.43 C ATOM 222 O PRO A 16 13.370 -8.264 -10.146 1.00 22.03 O ATOM 223 CB PRO A 16 16.381 -6.610 -10.683 1.00 12.54 C ATOM 224 CG PRO A 16 16.945 -7.210 -9.442 1.00 34.24 C ATOM 225 CD PRO A 16 16.150 -6.632 -8.304 1.00 35.32 C ATOM 0 HA PRO A 16 14.452 -5.551 -10.865 1.00 42.44 H new ATOM 0 HB2 PRO A 16 16.532 -7.263 -11.543 1.00 12.54 H new ATOM 0 HB3 PRO A 16 16.860 -5.659 -10.916 1.00 12.54 H new ATOM 0 HG2 PRO A 16 16.864 -8.297 -9.462 1.00 34.24 H new ATOM 0 HG3 PRO A 16 18.004 -6.971 -9.339 1.00 34.24 H new ATOM 0 HD2 PRO A 16 16.044 -7.344 -7.485 1.00 35.32 H new ATOM 0 HD3 PRO A 16 16.626 -5.742 -7.893 1.00 35.32 H new ATOM 233 N ARG A 17 14.220 -7.888 -12.195 1.00 21.12 N ATOM 234 CA ARG A 17 13.507 -8.999 -12.814 1.00 42.41 C ATOM 235 C ARG A 17 13.906 -10.325 -12.174 1.00 72.12 C ATOM 236 O ARG A 17 15.001 -10.460 -11.631 1.00 45.45 O ATOM 237 CB ARG A 17 13.791 -9.040 -14.317 1.00 54.44 C ATOM 238 CG ARG A 17 12.832 -8.194 -15.141 1.00 3.42 C ATOM 239 CD ARG A 17 13.226 -6.725 -15.119 1.00 32.13 C ATOM 240 NE ARG A 17 12.359 -5.914 -15.969 1.00 34.22 N ATOM 241 CZ ARG A 17 12.697 -4.717 -16.434 1.00 51.20 C ATOM 242 NH1 ARG A 17 13.878 -4.195 -16.134 1.00 12.34 N ATOM 243 NH2 ARG A 17 11.853 -4.039 -17.202 1.00 32.34 N ATOM 0 H ARG A 17 14.812 -7.358 -12.834 1.00 21.12 H new ATOM 0 HA ARG A 17 12.439 -8.846 -12.656 1.00 42.41 H new ATOM 0 HB2 ARG A 17 14.810 -8.697 -14.495 1.00 54.44 H new ATOM 0 HB3 ARG A 17 13.738 -10.073 -14.660 1.00 54.44 H new ATOM 0 HG2 ARG A 17 12.820 -8.553 -16.170 1.00 3.42 H new ATOM 0 HG3 ARG A 17 11.820 -8.306 -14.752 1.00 3.42 H new ATOM 0 HD2 ARG A 17 13.181 -6.353 -14.095 1.00 32.13 H new ATOM 0 HD3 ARG A 17 14.259 -6.622 -15.451 1.00 32.13 H new ATOM 0 HE ARG A 17 11.443 -6.287 -16.219 1.00 34.22 H new ATOM 0 HH11 ARG A 17 14.530 -4.713 -15.545 1.00 12.34 H new ATOM 0 HH12 ARG A 17 14.135 -3.275 -16.493 1.00 12.34 H new ATOM 0 HH21 ARG A 17 10.944 -4.437 -17.436 1.00 32.34 H new ATOM 0 HH22 ARG A 17 12.114 -3.120 -17.558 1.00 32.34 H new ATOM 257 N GLY A 18 13.008 -11.303 -12.243 1.00 35.32 N ATOM 258 CA GLY A 18 13.284 -12.605 -11.665 1.00 23.42 C ATOM 259 C GLY A 18 12.864 -13.743 -12.575 1.00 23.42 C ATOM 260 O GLY A 18 12.547 -13.527 -13.744 1.00 21.32 O ATOM 0 H GLY A 18 12.095 -11.217 -12.689 1.00 35.32 H new ATOM 0 HA2 GLY A 18 14.350 -12.687 -11.454 1.00 23.42 H new ATOM 0 HA3 GLY A 18 12.763 -12.694 -10.712 1.00 23.42 H new ATOM 264 N SER A 19 12.865 -14.959 -12.038 1.00 61.21 N ATOM 265 CA SER A 19 12.487 -16.136 -12.810 1.00 60.13 C ATOM 266 C SER A 19 10.972 -16.215 -12.975 1.00 40.33 C ATOM 267 O SER A 19 10.229 -15.438 -12.374 1.00 2.31 O ATOM 268 CB SER A 19 13.003 -17.407 -12.132 1.00 1.40 C ATOM 269 OG SER A 19 13.011 -17.264 -10.721 1.00 50.14 O ATOM 0 H SER A 19 13.124 -15.154 -11.071 1.00 61.21 H new ATOM 0 HA SER A 19 12.940 -16.051 -13.798 1.00 60.13 H new ATOM 0 HB2 SER A 19 12.375 -18.253 -12.412 1.00 1.40 H new ATOM 0 HB3 SER A 19 14.011 -17.628 -12.484 1.00 1.40 H new ATOM 0 HG SER A 19 13.886 -17.532 -10.370 1.00 50.14 H new ATOM 275 N HIS A 20 10.520 -17.159 -13.795 1.00 10.25 N ATOM 276 CA HIS A 20 9.094 -17.341 -14.040 1.00 13.44 C ATOM 277 C HIS A 20 8.656 -18.756 -13.676 1.00 51.10 C ATOM 278 O HIS A 20 9.210 -19.734 -14.176 1.00 45.22 O ATOM 279 CB HIS A 20 8.765 -17.052 -15.504 1.00 73.42 C ATOM 280 CG HIS A 20 9.370 -15.780 -16.015 1.00 72.15 C ATOM 281 ND1 HIS A 20 9.683 -14.630 -15.374 1.00 55.12 N flip ATOM 282 CD2 HIS A 20 9.720 -15.591 -17.335 1.00 64.44 C flip ATOM 283 CE1 HIS A 20 10.214 -13.775 -16.310 1.00 15.12 C flip ATOM 284 NE2 HIS A 20 10.226 -14.380 -17.485 1.00 74.34 N flip ATOM 0 H HIS A 20 11.121 -17.810 -14.301 1.00 10.25 H new ATOM 0 HA HIS A 20 8.550 -16.638 -13.409 1.00 13.44 H new ATOM 0 HB2 HIS A 20 9.115 -17.883 -16.117 1.00 73.42 H new ATOM 0 HB3 HIS A 20 7.682 -17.003 -15.622 1.00 73.42 H new ATOM 0 HD1 HIS A 20 9.550 -14.434 -14.382 1.00 55.12 H new ATOM 0 HD2 HIS A 20 9.599 -16.319 -18.123 1.00 64.44 H new ATOM 0 HE1 HIS A 20 10.564 -12.772 -16.117 1.00 15.12 H new ATOM 293 N MET A 21 7.660 -18.856 -12.803 1.00 71.31 N ATOM 294 CA MET A 21 7.148 -20.153 -12.373 1.00 41.11 C ATOM 295 C MET A 21 8.280 -21.047 -11.878 1.00 11.34 C ATOM 296 O MET A 21 8.426 -22.185 -12.326 1.00 35.44 O ATOM 297 CB MET A 21 6.406 -20.839 -13.523 1.00 1.53 C ATOM 298 CG MET A 21 5.414 -21.894 -13.063 1.00 4.45 C ATOM 299 SD MET A 21 4.601 -22.729 -14.437 1.00 70.42 S ATOM 300 CE MET A 21 5.345 -24.356 -14.334 1.00 50.44 C ATOM 0 H MET A 21 7.191 -18.056 -12.379 1.00 71.31 H new ATOM 0 HA MET A 21 6.453 -19.987 -11.550 1.00 41.11 H new ATOM 0 HB2 MET A 21 5.877 -20.084 -14.105 1.00 1.53 H new ATOM 0 HB3 MET A 21 7.134 -21.302 -14.189 1.00 1.53 H new ATOM 0 HG2 MET A 21 5.932 -22.632 -12.450 1.00 4.45 H new ATOM 0 HG3 MET A 21 4.660 -21.426 -12.430 1.00 4.45 H new ATOM 0 HE1 MET A 21 4.941 -24.991 -15.123 1.00 50.44 H new ATOM 0 HE2 MET A 21 6.425 -24.270 -14.454 1.00 50.44 H new ATOM 0 HE3 MET A 21 5.122 -24.797 -13.363 1.00 50.44 H new ATOM 310 N ILE A 22 9.078 -20.525 -10.952 1.00 72.45 N ATOM 311 CA ILE A 22 10.196 -21.277 -10.397 1.00 74.21 C ATOM 312 C ILE A 22 9.708 -22.503 -9.633 1.00 33.41 C ATOM 313 O ILE A 22 8.583 -22.530 -9.135 1.00 73.02 O ATOM 314 CB ILE A 22 11.048 -20.406 -9.455 1.00 50.23 C ATOM 315 CG1 ILE A 22 12.372 -21.104 -9.138 1.00 5.24 C ATOM 316 CG2 ILE A 22 10.282 -20.103 -8.176 1.00 31.15 C ATOM 317 CD1 ILE A 22 13.551 -20.159 -9.065 1.00 53.31 C ATOM 0 H ILE A 22 8.971 -19.585 -10.571 1.00 72.45 H new ATOM 0 HA ILE A 22 10.810 -21.596 -11.239 1.00 74.21 H new ATOM 0 HB ILE A 22 11.267 -19.463 -9.955 1.00 50.23 H new ATOM 0 HG12 ILE A 22 12.278 -21.629 -8.187 1.00 5.24 H new ATOM 0 HG13 ILE A 22 12.568 -21.858 -9.901 1.00 5.24 H new ATOM 0 HG21 ILE A 22 10.897 -19.487 -7.521 1.00 31.15 H new ATOM 0 HG22 ILE A 22 9.364 -19.569 -8.420 1.00 31.15 H new ATOM 0 HG23 ILE A 22 10.035 -21.036 -7.670 1.00 31.15 H new ATOM 0 HD11 ILE A 22 14.456 -20.723 -8.837 1.00 53.31 H new ATOM 0 HD12 ILE A 22 13.671 -19.652 -10.023 1.00 53.31 H new ATOM 0 HD13 ILE A 22 13.377 -19.420 -8.283 1.00 53.31 H new ATOM 329 N SER A 23 10.564 -23.517 -9.543 1.00 14.03 N ATOM 330 CA SER A 23 10.219 -24.748 -8.841 1.00 53.23 C ATOM 331 C SER A 23 9.784 -24.454 -7.409 1.00 3.33 C ATOM 332 O SER A 23 9.026 -25.216 -6.808 1.00 11.43 O ATOM 333 CB SER A 23 11.410 -25.709 -8.838 1.00 51.05 C ATOM 334 OG SER A 23 12.434 -25.248 -7.975 1.00 63.11 O ATOM 0 H SER A 23 11.500 -23.510 -9.947 1.00 14.03 H new ATOM 0 HA SER A 23 9.386 -25.215 -9.366 1.00 53.23 H new ATOM 0 HB2 SER A 23 11.082 -26.699 -8.522 1.00 51.05 H new ATOM 0 HB3 SER A 23 11.802 -25.811 -9.850 1.00 51.05 H new ATOM 0 HG SER A 23 13.183 -25.880 -7.989 1.00 63.11 H new ATOM 340 N LEU A 24 10.271 -23.343 -6.867 1.00 43.12 N ATOM 341 CA LEU A 24 9.935 -22.946 -5.504 1.00 50.02 C ATOM 342 C LEU A 24 8.423 -22.876 -5.314 1.00 45.22 C ATOM 343 O LEU A 24 7.909 -23.165 -4.234 1.00 41.30 O ATOM 344 CB LEU A 24 10.564 -21.591 -5.176 1.00 42.43 C ATOM 345 CG LEU A 24 10.996 -21.383 -3.724 1.00 71.21 C ATOM 346 CD1 LEU A 24 9.791 -21.444 -2.796 1.00 65.34 C ATOM 347 CD2 LEU A 24 12.033 -22.421 -3.323 1.00 24.43 C ATOM 0 H LEU A 24 10.900 -22.701 -7.350 1.00 43.12 H new ATOM 0 HA LEU A 24 10.334 -23.699 -4.824 1.00 50.02 H new ATOM 0 HB2 LEU A 24 11.435 -21.453 -5.816 1.00 42.43 H new ATOM 0 HB3 LEU A 24 9.850 -20.809 -5.437 1.00 42.43 H new ATOM 0 HG LEU A 24 11.448 -20.395 -3.636 1.00 71.21 H new ATOM 0 HD11 LEU A 24 10.117 -21.294 -1.767 1.00 65.34 H new ATOM 0 HD12 LEU A 24 9.081 -20.663 -3.070 1.00 65.34 H new ATOM 0 HD13 LEU A 24 9.311 -22.418 -2.886 1.00 65.34 H new ATOM 0 HD21 LEU A 24 12.329 -22.258 -2.287 1.00 24.43 H new ATOM 0 HD22 LEU A 24 11.607 -23.419 -3.426 1.00 24.43 H new ATOM 0 HD23 LEU A 24 12.907 -22.331 -3.968 1.00 24.43 H new ATOM 359 N SER A 25 7.716 -22.492 -6.373 1.00 60.31 N ATOM 360 CA SER A 25 6.263 -22.384 -6.323 1.00 52.54 C ATOM 361 C SER A 25 5.632 -23.711 -5.916 1.00 44.15 C ATOM 362 O SER A 25 5.716 -24.700 -6.644 1.00 33.21 O ATOM 363 CB SER A 25 5.717 -21.941 -7.682 1.00 72.23 C ATOM 364 OG SER A 25 5.747 -20.530 -7.809 1.00 13.04 O ATOM 0 H SER A 25 8.126 -22.251 -7.275 1.00 60.31 H new ATOM 0 HA SER A 25 6.005 -21.636 -5.574 1.00 52.54 H new ATOM 0 HB2 SER A 25 6.307 -22.393 -8.479 1.00 72.23 H new ATOM 0 HB3 SER A 25 4.694 -22.298 -7.800 1.00 72.23 H new ATOM 0 HG SER A 25 5.395 -20.273 -8.687 1.00 13.04 H new ATOM 370 N GLY A 26 5.000 -23.726 -4.746 1.00 1.50 N ATOM 371 CA GLY A 26 4.364 -24.937 -4.262 1.00 1.14 C ATOM 372 C GLY A 26 2.955 -24.692 -3.762 1.00 71.04 C ATOM 373 O GLY A 26 2.478 -23.555 -3.758 1.00 63.42 O ATOM 0 H GLY A 26 4.917 -22.921 -4.125 1.00 1.50 H new ATOM 0 HA2 GLY A 26 4.338 -25.675 -5.063 1.00 1.14 H new ATOM 0 HA3 GLY A 26 4.963 -25.361 -3.457 1.00 1.14 H new ATOM 377 N LEU A 27 2.283 -25.758 -3.343 1.00 62.11 N ATOM 378 CA LEU A 27 0.918 -25.654 -2.841 1.00 74.45 C ATOM 379 C LEU A 27 0.880 -25.820 -1.325 1.00 4.01 C ATOM 380 O LEU A 27 -0.188 -25.984 -0.733 1.00 41.21 O ATOM 381 CB LEU A 27 0.028 -26.709 -3.503 1.00 52.42 C ATOM 382 CG LEU A 27 0.299 -28.160 -3.107 1.00 4.25 C ATOM 383 CD1 LEU A 27 -0.968 -28.992 -3.229 1.00 63.31 C ATOM 384 CD2 LEU A 27 1.410 -28.749 -3.964 1.00 50.52 C ATOM 0 H LEU A 27 2.662 -26.705 -3.341 1.00 62.11 H new ATOM 0 HA LEU A 27 0.541 -24.662 -3.089 1.00 74.45 H new ATOM 0 HB2 LEU A 27 -1.011 -26.478 -3.269 1.00 52.42 H new ATOM 0 HB3 LEU A 27 0.138 -26.622 -4.584 1.00 52.42 H new ATOM 0 HG LEU A 27 0.622 -28.178 -2.066 1.00 4.25 H new ATOM 0 HD11 LEU A 27 -0.756 -30.022 -2.943 1.00 63.31 H new ATOM 0 HD12 LEU A 27 -1.736 -28.584 -2.572 1.00 63.31 H new ATOM 0 HD13 LEU A 27 -1.322 -28.967 -4.260 1.00 63.31 H new ATOM 0 HD21 LEU A 27 1.589 -29.783 -3.668 1.00 50.52 H new ATOM 0 HD22 LEU A 27 1.116 -28.718 -5.013 1.00 50.52 H new ATOM 0 HD23 LEU A 27 2.322 -28.169 -3.826 1.00 50.52 H new ATOM 396 N THR A 28 2.053 -25.775 -0.701 1.00 52.24 N ATOM 397 CA THR A 28 2.155 -25.919 0.746 1.00 0.41 C ATOM 398 C THR A 28 1.712 -24.645 1.458 1.00 64.31 C ATOM 399 O THR A 28 1.266 -23.691 0.822 1.00 54.23 O ATOM 400 CB THR A 28 3.594 -26.261 1.176 1.00 34.45 C ATOM 401 OG1 THR A 28 4.432 -25.107 1.047 1.00 73.14 O ATOM 402 CG2 THR A 28 4.154 -27.398 0.335 1.00 44.14 C ATOM 0 H THR A 28 2.946 -25.640 -1.175 1.00 52.24 H new ATOM 0 HA THR A 28 1.495 -26.738 1.030 1.00 0.41 H new ATOM 0 HB THR A 28 3.572 -26.578 2.219 1.00 34.45 H new ATOM 0 HG1 THR A 28 5.345 -25.333 1.324 1.00 73.14 H new ATOM 0 HG21 THR A 28 5.171 -27.622 0.657 1.00 44.14 H new ATOM 0 HG22 THR A 28 3.531 -28.284 0.459 1.00 44.14 H new ATOM 0 HG23 THR A 28 4.162 -27.104 -0.715 1.00 44.14 H new ATOM 410 N SER A 29 1.840 -24.638 2.780 1.00 25.41 N ATOM 411 CA SER A 29 1.451 -23.482 3.579 1.00 11.23 C ATOM 412 C SER A 29 2.666 -22.626 3.925 1.00 51.34 C ATOM 413 O SER A 29 3.056 -22.523 5.088 1.00 54.34 O ATOM 414 CB SER A 29 0.750 -23.935 4.862 1.00 43.55 C ATOM 415 OG SER A 29 1.648 -24.616 5.721 1.00 44.34 O ATOM 0 H SER A 29 2.210 -25.420 3.321 1.00 25.41 H new ATOM 0 HA SER A 29 0.760 -22.880 2.989 1.00 11.23 H new ATOM 0 HB2 SER A 29 0.334 -23.069 5.378 1.00 43.55 H new ATOM 0 HB3 SER A 29 -0.086 -24.589 4.612 1.00 43.55 H new ATOM 0 HG SER A 29 2.402 -24.029 5.938 1.00 44.34 H new ATOM 421 N SER A 30 3.259 -22.014 2.906 1.00 64.10 N ATOM 422 CA SER A 30 4.432 -21.170 3.099 1.00 1.23 C ATOM 423 C SER A 30 4.695 -20.312 1.865 1.00 73.21 C ATOM 424 O SER A 30 4.281 -20.656 0.758 1.00 41.24 O ATOM 425 CB SER A 30 5.660 -22.029 3.409 1.00 44.13 C ATOM 426 OG SER A 30 6.579 -21.329 4.230 1.00 75.41 O ATOM 0 H SER A 30 2.947 -22.087 1.938 1.00 64.10 H new ATOM 0 HA SER A 30 4.237 -20.509 3.944 1.00 1.23 H new ATOM 0 HB2 SER A 30 5.349 -22.947 3.907 1.00 44.13 H new ATOM 0 HB3 SER A 30 6.148 -22.321 2.479 1.00 44.13 H new ATOM 0 HG SER A 30 7.354 -21.900 4.415 1.00 75.41 H new ATOM 432 N VAL A 31 5.386 -19.195 2.064 1.00 3.31 N ATOM 433 CA VAL A 31 5.706 -18.288 0.968 1.00 1.43 C ATOM 434 C VAL A 31 4.558 -18.208 -0.032 1.00 13.01 C ATOM 435 O VAL A 31 4.773 -18.244 -1.242 1.00 52.42 O ATOM 436 CB VAL A 31 6.985 -18.728 0.231 1.00 54.24 C ATOM 437 CG1 VAL A 31 8.187 -18.659 1.159 1.00 11.03 C ATOM 438 CG2 VAL A 31 6.817 -20.129 -0.335 1.00 61.50 C ATOM 0 H VAL A 31 5.735 -18.896 2.974 1.00 3.31 H new ATOM 0 HA VAL A 31 5.869 -17.304 1.408 1.00 1.43 H new ATOM 0 HB VAL A 31 7.159 -18.044 -0.599 1.00 54.24 H new ATOM 0 HG11 VAL A 31 9.081 -18.974 0.620 1.00 11.03 H new ATOM 0 HG12 VAL A 31 8.317 -17.636 1.511 1.00 11.03 H new ATOM 0 HG13 VAL A 31 8.026 -19.318 2.012 1.00 11.03 H new ATOM 0 HG21 VAL A 31 7.730 -20.424 -0.852 1.00 61.50 H new ATOM 0 HG22 VAL A 31 6.618 -20.828 0.477 1.00 61.50 H new ATOM 0 HG23 VAL A 31 5.983 -20.140 -1.036 1.00 61.50 H new ATOM 448 N GLU A 32 3.338 -18.098 0.484 1.00 31.43 N ATOM 449 CA GLU A 32 2.154 -18.013 -0.365 1.00 5.34 C ATOM 450 C GLU A 32 2.049 -16.637 -1.015 1.00 3.45 C ATOM 451 O GLU A 32 1.438 -16.483 -2.071 1.00 41.41 O ATOM 452 CB GLU A 32 0.893 -18.302 0.451 1.00 20.22 C ATOM 453 CG GLU A 32 0.758 -17.435 1.692 1.00 72.11 C ATOM 454 CD GLU A 32 -0.589 -17.593 2.371 1.00 63.11 C ATOM 455 OE1 GLU A 32 -1.521 -16.840 2.022 1.00 72.10 O ATOM 456 OE2 GLU A 32 -0.709 -18.471 3.252 1.00 50.24 O ATOM 0 H GLU A 32 3.143 -18.066 1.485 1.00 31.43 H new ATOM 0 HA GLU A 32 2.248 -18.761 -1.152 1.00 5.34 H new ATOM 0 HB2 GLU A 32 0.019 -18.153 -0.183 1.00 20.22 H new ATOM 0 HB3 GLU A 32 0.896 -19.350 0.749 1.00 20.22 H new ATOM 0 HG2 GLU A 32 1.548 -17.691 2.397 1.00 72.11 H new ATOM 0 HG3 GLU A 32 0.902 -16.390 1.418 1.00 72.11 H new ATOM 464 N SER A 33 2.650 -15.639 -0.374 1.00 15.41 N ATOM 465 CA SER A 33 2.620 -14.274 -0.887 1.00 10.14 C ATOM 466 C SER A 33 4.025 -13.798 -1.246 1.00 14.34 C ATOM 467 O SER A 33 4.195 -12.896 -2.066 1.00 41.31 O ATOM 468 CB SER A 33 2.000 -13.331 0.147 1.00 74.14 C ATOM 469 OG SER A 33 2.171 -11.976 -0.231 1.00 23.20 O ATOM 0 H SER A 33 3.163 -15.750 0.501 1.00 15.41 H new ATOM 0 HA SER A 33 2.009 -14.265 -1.790 1.00 10.14 H new ATOM 0 HB2 SER A 33 0.938 -13.551 0.253 1.00 74.14 H new ATOM 0 HB3 SER A 33 2.460 -13.501 1.121 1.00 74.14 H new ATOM 0 HG SER A 33 1.765 -11.394 0.445 1.00 23.20 H new ATOM 475 N ASP A 34 5.027 -14.411 -0.626 1.00 74.21 N ATOM 476 CA ASP A 34 6.418 -14.053 -0.880 1.00 54.13 C ATOM 477 C ASP A 34 6.761 -14.221 -2.357 1.00 72.34 C ATOM 478 O ASP A 34 7.700 -13.604 -2.862 1.00 51.52 O ATOM 479 CB ASP A 34 7.352 -14.910 -0.026 1.00 32.11 C ATOM 480 CG ASP A 34 8.776 -14.389 -0.025 1.00 63.34 C ATOM 481 OD1 ASP A 34 9.710 -15.217 0.006 1.00 42.53 O ATOM 482 OD2 ASP A 34 8.955 -13.155 -0.056 1.00 10.42 O ATOM 0 H ASP A 34 4.902 -15.159 0.057 1.00 74.21 H new ATOM 0 HA ASP A 34 6.553 -13.005 -0.611 1.00 54.13 H new ATOM 0 HB2 ASP A 34 6.978 -14.940 0.998 1.00 32.11 H new ATOM 0 HB3 ASP A 34 7.343 -15.934 -0.399 1.00 32.11 H new ATOM 488 N LEU A 35 5.994 -15.060 -3.046 1.00 71.42 N ATOM 489 CA LEU A 35 6.217 -15.310 -4.465 1.00 63.41 C ATOM 490 C LEU A 35 5.370 -14.377 -5.323 1.00 10.52 C ATOM 491 O LEU A 35 5.195 -14.605 -6.521 1.00 0.54 O ATOM 492 CB LEU A 35 5.892 -16.767 -4.803 1.00 44.24 C ATOM 493 CG LEU A 35 7.049 -17.760 -4.675 1.00 34.21 C ATOM 494 CD1 LEU A 35 7.047 -18.405 -3.298 1.00 1.14 C ATOM 495 CD2 LEU A 35 6.964 -18.820 -5.763 1.00 3.24 C ATOM 0 H LEU A 35 5.213 -15.578 -2.644 1.00 71.42 H new ATOM 0 HA LEU A 35 7.268 -15.118 -4.681 1.00 63.41 H new ATOM 0 HB2 LEU A 35 5.082 -17.098 -4.153 1.00 44.24 H new ATOM 0 HB3 LEU A 35 5.517 -16.807 -5.826 1.00 44.24 H new ATOM 0 HG LEU A 35 7.986 -17.216 -4.798 1.00 34.21 H new ATOM 0 HD11 LEU A 35 7.876 -19.108 -3.224 1.00 1.14 H new ATOM 0 HD12 LEU A 35 7.156 -17.634 -2.535 1.00 1.14 H new ATOM 0 HD13 LEU A 35 6.107 -18.935 -3.146 1.00 1.14 H new ATOM 0 HD21 LEU A 35 7.795 -19.518 -5.657 1.00 3.24 H new ATOM 0 HD22 LEU A 35 6.022 -19.361 -5.671 1.00 3.24 H new ATOM 0 HD23 LEU A 35 7.014 -18.342 -6.741 1.00 3.24 H new ATOM 507 N ASP A 36 4.848 -13.325 -4.703 1.00 51.53 N ATOM 508 CA ASP A 36 4.021 -12.352 -5.411 1.00 23.51 C ATOM 509 C ASP A 36 4.876 -11.464 -6.310 1.00 31.53 C ATOM 510 O ASP A 36 4.399 -10.943 -7.316 1.00 55.24 O ATOM 511 CB ASP A 36 3.242 -11.493 -4.415 1.00 1.11 C ATOM 512 CG ASP A 36 2.690 -10.231 -5.047 1.00 51.00 C ATOM 513 OD1 ASP A 36 1.698 -10.328 -5.800 1.00 25.54 O ATOM 514 OD2 ASP A 36 3.250 -9.144 -4.789 1.00 72.13 O ATOM 0 H ASP A 36 4.982 -13.123 -3.712 1.00 51.53 H new ATOM 0 HA ASP A 36 3.315 -12.898 -6.037 1.00 23.51 H new ATOM 0 HB2 ASP A 36 2.421 -12.077 -4.000 1.00 1.11 H new ATOM 0 HB3 ASP A 36 3.894 -11.224 -3.584 1.00 1.11 H new ATOM 520 N MET A 37 6.140 -11.296 -5.937 1.00 20.41 N ATOM 521 CA MET A 37 7.061 -10.471 -6.710 1.00 12.45 C ATOM 522 C MET A 37 7.374 -11.119 -8.055 1.00 31.21 C ATOM 523 O MET A 37 7.725 -10.435 -9.016 1.00 14.11 O ATOM 524 CB MET A 37 8.355 -10.242 -5.927 1.00 35.34 C ATOM 525 CG MET A 37 8.128 -9.716 -4.519 1.00 1.03 C ATOM 526 SD MET A 37 7.601 -7.991 -4.496 1.00 63.43 S ATOM 527 CE MET A 37 9.085 -7.193 -3.889 1.00 60.11 C ATOM 0 H MET A 37 6.550 -11.720 -5.105 1.00 20.41 H new ATOM 0 HA MET A 37 6.581 -9.510 -6.893 1.00 12.45 H new ATOM 0 HB2 MET A 37 8.907 -11.180 -5.871 1.00 35.34 H new ATOM 0 HB3 MET A 37 8.981 -9.536 -6.473 1.00 35.34 H new ATOM 0 HG2 MET A 37 7.374 -10.328 -4.024 1.00 1.03 H new ATOM 0 HG3 MET A 37 9.049 -9.818 -3.945 1.00 1.03 H new ATOM 0 HE1 MET A 37 9.165 -6.196 -4.322 1.00 60.11 H new ATOM 0 HE2 MET A 37 9.037 -7.114 -2.803 1.00 60.11 H new ATOM 0 HE3 MET A 37 9.957 -7.783 -4.172 1.00 60.11 H new ATOM 537 N GLN A 38 7.246 -12.440 -8.114 1.00 33.21 N ATOM 538 CA GLN A 38 7.517 -13.179 -9.340 1.00 73.34 C ATOM 539 C GLN A 38 6.510 -12.818 -10.428 1.00 31.02 C ATOM 540 O GLN A 38 6.889 -12.425 -11.531 1.00 31.31 O ATOM 541 CB GLN A 38 7.478 -14.686 -9.074 1.00 13.23 C ATOM 542 CG GLN A 38 8.438 -15.483 -9.942 1.00 42.51 C ATOM 543 CD GLN A 38 9.830 -15.568 -9.347 1.00 51.01 C ATOM 544 OE1 GLN A 38 10.739 -14.848 -9.760 1.00 63.13 O ATOM 545 NE2 GLN A 38 10.003 -16.451 -8.371 1.00 4.33 N ATOM 0 H GLN A 38 6.956 -13.020 -7.327 1.00 33.21 H new ATOM 0 HA GLN A 38 8.513 -12.904 -9.686 1.00 73.34 H new ATOM 0 HB2 GLN A 38 7.714 -14.867 -8.025 1.00 13.23 H new ATOM 0 HB3 GLN A 38 6.464 -15.050 -9.240 1.00 13.23 H new ATOM 0 HG2 GLN A 38 8.045 -16.490 -10.082 1.00 42.51 H new ATOM 0 HG3 GLN A 38 8.496 -15.024 -10.929 1.00 42.51 H new ATOM 0 HE21 GLN A 38 9.221 -17.027 -8.060 1.00 4.33 H new ATOM 0 HE22 GLN A 38 10.918 -16.553 -7.932 1.00 4.33 H new ATOM 554 N GLN A 39 5.227 -12.954 -10.108 1.00 72.01 N ATOM 555 CA GLN A 39 4.166 -12.643 -11.058 1.00 42.31 C ATOM 556 C GLN A 39 4.217 -11.174 -11.468 1.00 75.50 C ATOM 557 O GLN A 39 3.837 -10.817 -12.583 1.00 30.31 O ATOM 558 CB GLN A 39 2.800 -12.970 -10.454 1.00 72.14 C ATOM 559 CG GLN A 39 2.599 -12.400 -9.059 1.00 71.15 C ATOM 560 CD GLN A 39 1.161 -12.502 -8.590 1.00 13.25 C ATOM 561 OE1 GLN A 39 0.274 -11.830 -9.118 1.00 3.22 O ATOM 562 NE2 GLN A 39 0.922 -13.344 -7.591 1.00 72.12 N ATOM 0 H GLN A 39 4.898 -13.277 -9.198 1.00 72.01 H new ATOM 0 HA GLN A 39 4.317 -13.255 -11.947 1.00 42.31 H new ATOM 0 HB2 GLN A 39 2.020 -12.585 -11.111 1.00 72.14 H new ATOM 0 HB3 GLN A 39 2.679 -14.053 -10.416 1.00 72.14 H new ATOM 0 HG2 GLN A 39 3.245 -12.929 -8.358 1.00 71.15 H new ATOM 0 HG3 GLN A 39 2.907 -11.355 -9.050 1.00 71.15 H new ATOM 0 HE21 GLN A 39 1.687 -13.881 -7.183 1.00 72.12 H new ATOM 0 HE22 GLN A 39 -0.026 -13.453 -7.232 1.00 72.12 H new ATOM 571 N ALA A 40 4.686 -10.327 -10.558 1.00 13.51 N ATOM 572 CA ALA A 40 4.788 -8.897 -10.826 1.00 74.51 C ATOM 573 C ALA A 40 5.712 -8.624 -12.007 1.00 71.23 C ATOM 574 O ALA A 40 5.592 -7.599 -12.677 1.00 70.12 O ATOM 575 CB ALA A 40 5.277 -8.162 -9.587 1.00 43.33 C ATOM 0 H ALA A 40 5.001 -10.606 -9.629 1.00 13.51 H new ATOM 0 HA ALA A 40 3.795 -8.529 -11.084 1.00 74.51 H new ATOM 0 HB1 ALA A 40 5.349 -7.096 -9.801 1.00 43.33 H new ATOM 0 HB2 ALA A 40 4.575 -8.321 -8.769 1.00 43.33 H new ATOM 0 HB3 ALA A 40 6.258 -8.542 -9.302 1.00 43.33 H new ATOM 581 N MET A 41 6.635 -9.547 -12.255 1.00 10.50 N ATOM 582 CA MET A 41 7.581 -9.404 -13.357 1.00 33.43 C ATOM 583 C MET A 41 6.881 -9.583 -14.701 1.00 24.44 C ATOM 584 O MET A 41 7.174 -8.873 -15.663 1.00 42.44 O ATOM 585 CB MET A 41 8.714 -10.422 -13.219 1.00 23.41 C ATOM 586 CG MET A 41 9.299 -10.496 -11.817 1.00 61.12 C ATOM 587 SD MET A 41 9.939 -8.909 -11.248 1.00 20.13 S ATOM 588 CE MET A 41 10.657 -9.378 -9.675 1.00 63.13 C ATOM 0 H MET A 41 6.749 -10.401 -11.709 1.00 10.50 H new ATOM 0 HA MET A 41 7.999 -8.398 -13.317 1.00 33.43 H new ATOM 0 HB2 MET A 41 8.342 -11.407 -13.501 1.00 23.41 H new ATOM 0 HB3 MET A 41 9.507 -10.167 -13.922 1.00 23.41 H new ATOM 0 HG2 MET A 41 8.532 -10.843 -11.125 1.00 61.12 H new ATOM 0 HG3 MET A 41 10.101 -11.234 -11.800 1.00 61.12 H new ATOM 0 HE1 MET A 41 10.902 -8.482 -9.105 1.00 63.13 H new ATOM 0 HE2 MET A 41 9.942 -9.980 -9.114 1.00 63.13 H new ATOM 0 HE3 MET A 41 11.564 -9.958 -9.847 1.00 63.13 H new ATOM 598 N LEU A 42 5.957 -10.535 -14.759 1.00 31.42 N ATOM 599 CA LEU A 42 5.216 -10.808 -15.985 1.00 73.15 C ATOM 600 C LEU A 42 4.185 -9.716 -16.252 1.00 12.21 C ATOM 601 O LEU A 42 3.566 -9.677 -17.316 1.00 31.22 O ATOM 602 CB LEU A 42 4.522 -12.168 -15.894 1.00 32.03 C ATOM 603 CG LEU A 42 5.385 -13.385 -16.229 1.00 72.21 C ATOM 604 CD1 LEU A 42 6.416 -13.625 -15.137 1.00 3.12 C ATOM 605 CD2 LEU A 42 4.515 -14.619 -16.423 1.00 54.40 C ATOM 0 H LEU A 42 5.703 -11.131 -13.971 1.00 31.42 H new ATOM 0 HA LEU A 42 5.925 -10.824 -16.813 1.00 73.15 H new ATOM 0 HB2 LEU A 42 4.135 -12.289 -14.882 1.00 32.03 H new ATOM 0 HB3 LEU A 42 3.663 -12.161 -16.565 1.00 32.03 H new ATOM 0 HG LEU A 42 5.913 -13.186 -17.162 1.00 72.21 H new ATOM 0 HD11 LEU A 42 7.021 -14.495 -15.393 1.00 3.12 H new ATOM 0 HD12 LEU A 42 7.059 -12.750 -15.045 1.00 3.12 H new ATOM 0 HD13 LEU A 42 5.908 -13.802 -14.189 1.00 3.12 H new ATOM 0 HD21 LEU A 42 5.146 -15.475 -16.661 1.00 54.40 H new ATOM 0 HD22 LEU A 42 3.960 -14.821 -15.507 1.00 54.40 H new ATOM 0 HD23 LEU A 42 3.815 -14.446 -17.241 1.00 54.40 H new ATOM 617 N THR A 43 4.007 -8.826 -15.280 1.00 21.14 N ATOM 618 CA THR A 43 3.053 -7.732 -15.410 1.00 72.31 C ATOM 619 C THR A 43 3.686 -6.401 -15.021 1.00 33.21 C ATOM 620 O THR A 43 3.301 -5.788 -14.026 1.00 74.31 O ATOM 621 CB THR A 43 1.805 -7.969 -14.538 1.00 53.42 C ATOM 622 OG1 THR A 43 0.972 -6.804 -14.549 1.00 32.04 O ATOM 623 CG2 THR A 43 2.199 -8.304 -13.108 1.00 31.01 C ATOM 0 H THR A 43 4.512 -8.842 -14.394 1.00 21.14 H new ATOM 0 HA THR A 43 2.754 -7.696 -16.458 1.00 72.31 H new ATOM 0 HB THR A 43 1.254 -8.813 -14.953 1.00 53.42 H new ATOM 0 HG1 THR A 43 1.438 -6.065 -14.106 1.00 32.04 H new ATOM 0 HG21 THR A 43 1.301 -8.467 -12.512 1.00 31.01 H new ATOM 0 HG22 THR A 43 2.808 -9.208 -13.101 1.00 31.01 H new ATOM 0 HG23 THR A 43 2.770 -7.478 -12.685 1.00 31.01 H new ATOM 631 N ASN A 44 4.658 -5.959 -15.812 1.00 24.45 N ATOM 632 CA ASN A 44 5.345 -4.700 -15.549 1.00 73.50 C ATOM 633 C ASN A 44 4.434 -3.513 -15.845 1.00 54.43 C ATOM 634 O ASN A 44 3.235 -3.677 -16.073 1.00 53.43 O ATOM 635 CB ASN A 44 6.617 -4.604 -16.392 1.00 44.21 C ATOM 636 CG ASN A 44 7.759 -3.941 -15.643 1.00 75.41 C ATOM 637 OD1 ASN A 44 8.002 -4.240 -14.474 1.00 2.51 O ATOM 638 ND2 ASN A 44 8.462 -3.039 -16.315 1.00 0.31 N ATOM 0 H ASN A 44 4.988 -6.454 -16.641 1.00 24.45 H new ATOM 0 HA ASN A 44 5.615 -4.674 -14.493 1.00 73.50 H new ATOM 0 HB2 ASN A 44 6.921 -5.604 -16.701 1.00 44.21 H new ATOM 0 HB3 ASN A 44 6.406 -4.040 -17.300 1.00 44.21 H new ATOM 0 HD21 ASN A 44 9.242 -2.560 -15.864 1.00 0.31 H new ATOM 0 HD22 ASN A 44 8.223 -2.824 -17.283 1.00 0.31 H new ATOM 645 N LYS A 45 5.011 -2.316 -15.840 1.00 51.05 N ATOM 646 CA LYS A 45 4.254 -1.099 -16.110 1.00 52.34 C ATOM 647 C LYS A 45 4.467 -0.633 -17.548 1.00 20.34 C ATOM 648 O LYS A 45 5.292 -1.189 -18.274 1.00 14.22 O ATOM 649 CB LYS A 45 4.664 0.008 -15.138 1.00 23.15 C ATOM 650 CG LYS A 45 4.495 -0.372 -13.677 1.00 3.15 C ATOM 651 CD LYS A 45 5.774 -0.955 -13.101 1.00 4.54 C ATOM 652 CE LYS A 45 5.614 -1.305 -11.629 1.00 71.54 C ATOM 653 NZ LYS A 45 6.111 -0.218 -10.742 1.00 72.02 N ATOM 0 H LYS A 45 6.002 -2.163 -15.652 1.00 51.05 H new ATOM 0 HA LYS A 45 3.196 -1.321 -15.972 1.00 52.34 H new ATOM 0 HB2 LYS A 45 5.706 0.270 -15.318 1.00 23.15 H new ATOM 0 HB3 LYS A 45 4.071 0.899 -15.344 1.00 23.15 H new ATOM 0 HG2 LYS A 45 4.204 0.508 -13.103 1.00 3.15 H new ATOM 0 HG3 LYS A 45 3.687 -1.098 -13.580 1.00 3.15 H new ATOM 0 HD2 LYS A 45 6.052 -1.848 -13.660 1.00 4.54 H new ATOM 0 HD3 LYS A 45 6.587 -0.239 -13.219 1.00 4.54 H new ATOM 0 HE2 LYS A 45 4.563 -1.497 -11.414 1.00 71.54 H new ATOM 0 HE3 LYS A 45 6.157 -2.226 -11.414 1.00 71.54 H new ATOM 0 HZ1 LYS A 45 5.984 -0.496 -9.748 1.00 72.02 H new ATOM 0 HZ2 LYS A 45 7.120 -0.052 -10.929 1.00 72.02 H new ATOM 0 HZ3 LYS A 45 5.576 0.654 -10.929 1.00 72.02 H new ATOM 667 N ASP A 46 3.722 0.390 -17.949 1.00 53.52 N ATOM 668 CA ASP A 46 3.831 0.932 -19.298 1.00 53.44 C ATOM 669 C ASP A 46 3.641 2.446 -19.293 1.00 15.03 C ATOM 670 O ASP A 46 3.357 3.041 -18.253 1.00 54.22 O ATOM 671 CB ASP A 46 2.798 0.280 -20.219 1.00 4.30 C ATOM 672 CG ASP A 46 3.019 -1.212 -20.370 1.00 64.31 C ATOM 673 OD1 ASP A 46 4.154 -1.613 -20.708 1.00 73.35 O ATOM 674 OD2 ASP A 46 2.059 -1.979 -20.150 1.00 42.21 O ATOM 0 H ASP A 46 3.036 0.861 -17.359 1.00 53.52 H new ATOM 0 HA ASP A 46 4.831 0.710 -19.671 1.00 53.44 H new ATOM 0 HB2 ASP A 46 1.798 0.458 -19.823 1.00 4.30 H new ATOM 0 HB3 ASP A 46 2.841 0.752 -21.201 1.00 4.30 H new ATOM 680 N GLU A 47 3.801 3.063 -20.460 1.00 74.42 N ATOM 681 CA GLU A 47 3.648 4.507 -20.588 1.00 33.44 C ATOM 682 C GLU A 47 2.200 4.924 -20.349 1.00 14.22 C ATOM 683 O GLU A 47 1.932 5.921 -19.678 1.00 74.32 O ATOM 684 CB GLU A 47 4.102 4.969 -21.974 1.00 13.02 C ATOM 685 CG GLU A 47 3.371 4.282 -23.114 1.00 12.32 C ATOM 686 CD GLU A 47 4.266 4.027 -24.311 1.00 74.11 C ATOM 687 OE1 GLU A 47 5.386 3.511 -24.115 1.00 31.24 O ATOM 688 OE2 GLU A 47 3.846 4.344 -25.445 1.00 22.54 O ATOM 0 H GLU A 47 4.036 2.585 -21.330 1.00 74.42 H new ATOM 0 HA GLU A 47 4.274 4.982 -19.832 1.00 33.44 H new ATOM 0 HB2 GLU A 47 3.954 6.046 -22.055 1.00 13.02 H new ATOM 0 HB3 GLU A 47 5.172 4.786 -22.077 1.00 13.02 H new ATOM 0 HG2 GLU A 47 2.964 3.334 -22.761 1.00 12.32 H new ATOM 0 HG3 GLU A 47 2.526 4.897 -23.422 1.00 12.32 H new ATOM 696 N LYS A 48 1.270 4.155 -20.903 1.00 72.44 N ATOM 697 CA LYS A 48 -0.152 4.442 -20.752 1.00 23.11 C ATOM 698 C LYS A 48 -0.611 4.180 -19.320 1.00 45.21 C ATOM 699 O LYS A 48 -1.503 4.856 -18.811 1.00 14.25 O ATOM 700 CB LYS A 48 -0.972 3.592 -21.725 1.00 22.34 C ATOM 701 CG LYS A 48 -0.680 2.105 -21.628 1.00 32.52 C ATOM 702 CD LYS A 48 0.262 1.648 -22.728 1.00 43.30 C ATOM 703 CE LYS A 48 -0.313 0.472 -23.502 1.00 60.31 C ATOM 704 NZ LYS A 48 -0.783 0.876 -24.856 1.00 73.24 N ATOM 0 H LYS A 48 1.475 3.327 -21.462 1.00 72.44 H new ATOM 0 HA LYS A 48 -0.310 5.496 -20.979 1.00 23.11 H new ATOM 0 HB2 LYS A 48 -2.032 3.759 -21.535 1.00 22.34 H new ATOM 0 HB3 LYS A 48 -0.774 3.927 -22.743 1.00 22.34 H new ATOM 0 HG2 LYS A 48 -0.240 1.883 -20.656 1.00 32.52 H new ATOM 0 HG3 LYS A 48 -1.613 1.545 -21.691 1.00 32.52 H new ATOM 0 HD2 LYS A 48 0.454 2.475 -23.411 1.00 43.30 H new ATOM 0 HD3 LYS A 48 1.221 1.365 -22.293 1.00 43.30 H new ATOM 0 HE2 LYS A 48 0.445 -0.305 -23.598 1.00 60.31 H new ATOM 0 HE3 LYS A 48 -1.143 0.040 -22.943 1.00 60.31 H new ATOM 0 HZ1 LYS A 48 -1.168 0.047 -25.352 1.00 73.24 H new ATOM 0 HZ2 LYS A 48 -1.524 1.600 -24.765 1.00 73.24 H new ATOM 0 HZ3 LYS A 48 0.015 1.264 -25.399 1.00 73.24 H new ATOM 718 N VAL A 49 0.008 3.194 -18.677 1.00 13.21 N ATOM 719 CA VAL A 49 -0.336 2.845 -17.304 1.00 63.51 C ATOM 720 C VAL A 49 -0.136 4.032 -16.368 1.00 50.12 C ATOM 721 O VAL A 49 -0.800 4.142 -15.337 1.00 52.22 O ATOM 722 CB VAL A 49 0.508 1.659 -16.799 1.00 52.51 C ATOM 723 CG1 VAL A 49 0.207 1.375 -15.336 1.00 32.41 C ATOM 724 CG2 VAL A 49 0.259 0.426 -17.654 1.00 10.03 C ATOM 0 H VAL A 49 0.749 2.624 -19.085 1.00 13.21 H new ATOM 0 HA VAL A 49 -1.388 2.560 -17.304 1.00 63.51 H new ATOM 0 HB VAL A 49 1.562 1.923 -16.883 1.00 52.51 H new ATOM 0 HG11 VAL A 49 0.812 0.534 -14.997 1.00 32.41 H new ATOM 0 HG12 VAL A 49 0.442 2.256 -14.739 1.00 32.41 H new ATOM 0 HG13 VAL A 49 -0.849 1.131 -15.223 1.00 32.41 H new ATOM 0 HG21 VAL A 49 0.863 -0.402 -17.283 1.00 10.03 H new ATOM 0 HG22 VAL A 49 -0.796 0.156 -17.605 1.00 10.03 H new ATOM 0 HG23 VAL A 49 0.531 0.639 -18.688 1.00 10.03 H new ATOM 734 N LEU A 50 0.783 4.919 -16.735 1.00 74.34 N ATOM 735 CA LEU A 50 1.071 6.100 -15.929 1.00 12.10 C ATOM 736 C LEU A 50 -0.114 7.060 -15.928 1.00 1.52 C ATOM 737 O LEU A 50 -0.333 7.795 -14.964 1.00 64.42 O ATOM 738 CB LEU A 50 2.318 6.810 -16.456 1.00 41.14 C ATOM 739 CG LEU A 50 3.571 5.945 -16.605 1.00 52.43 C ATOM 740 CD1 LEU A 50 4.698 6.745 -17.238 1.00 44.43 C ATOM 741 CD2 LEU A 50 4.000 5.392 -15.254 1.00 73.13 C ATOM 0 H LEU A 50 1.341 4.842 -17.585 1.00 74.34 H new ATOM 0 HA LEU A 50 1.252 5.775 -14.904 1.00 12.10 H new ATOM 0 HB2 LEU A 50 2.082 7.242 -17.428 1.00 41.14 H new ATOM 0 HB3 LEU A 50 2.550 7.638 -15.787 1.00 41.14 H new ATOM 0 HG LEU A 50 3.336 5.106 -17.260 1.00 52.43 H new ATOM 0 HD11 LEU A 50 5.581 6.114 -17.336 1.00 44.43 H new ATOM 0 HD12 LEU A 50 4.389 7.092 -18.224 1.00 44.43 H new ATOM 0 HD13 LEU A 50 4.933 7.603 -16.608 1.00 44.43 H new ATOM 0 HD21 LEU A 50 4.893 4.779 -15.379 1.00 73.13 H new ATOM 0 HD22 LEU A 50 4.218 6.217 -14.576 1.00 73.13 H new ATOM 0 HD23 LEU A 50 3.197 4.783 -14.838 1.00 73.13 H new ATOM 753 N LYS A 51 -0.877 7.051 -17.016 1.00 70.52 N ATOM 754 CA LYS A 51 -2.042 7.918 -17.141 1.00 54.21 C ATOM 755 C LYS A 51 -3.080 7.595 -16.071 1.00 33.52 C ATOM 756 O LYS A 51 -3.683 8.494 -15.485 1.00 63.30 O ATOM 757 CB LYS A 51 -2.667 7.771 -18.531 1.00 43.10 C ATOM 758 CG LYS A 51 -1.738 8.182 -19.660 1.00 41.23 C ATOM 759 CD LYS A 51 -1.851 9.666 -19.965 1.00 60.31 C ATOM 760 CE LYS A 51 -0.638 10.173 -20.730 1.00 21.33 C ATOM 761 NZ LYS A 51 -0.592 11.661 -20.774 1.00 21.24 N ATOM 0 H LYS A 51 -0.709 6.452 -17.824 1.00 70.52 H new ATOM 0 HA LYS A 51 -1.712 8.948 -17.003 1.00 54.21 H new ATOM 0 HB2 LYS A 51 -2.967 6.733 -18.678 1.00 43.10 H new ATOM 0 HB3 LYS A 51 -3.573 8.375 -18.579 1.00 43.10 H new ATOM 0 HG2 LYS A 51 -0.709 7.943 -19.391 1.00 41.23 H new ATOM 0 HG3 LYS A 51 -1.975 7.607 -20.555 1.00 41.23 H new ATOM 0 HD2 LYS A 51 -2.753 9.851 -20.548 1.00 60.31 H new ATOM 0 HD3 LYS A 51 -1.954 10.223 -19.034 1.00 60.31 H new ATOM 0 HE2 LYS A 51 0.271 9.795 -20.261 1.00 21.33 H new ATOM 0 HE3 LYS A 51 -0.659 9.780 -21.747 1.00 21.33 H new ATOM 0 HZ1 LYS A 51 0.249 11.967 -21.304 1.00 21.24 H new ATOM 0 HZ2 LYS A 51 -1.447 12.021 -21.244 1.00 21.24 H new ATOM 0 HZ3 LYS A 51 -0.546 12.036 -19.805 1.00 21.24 H new ATOM 775 N ALA A 52 -3.281 6.305 -15.819 1.00 13.31 N ATOM 776 CA ALA A 52 -4.243 5.863 -14.816 1.00 40.23 C ATOM 777 C ALA A 52 -3.845 6.344 -13.425 1.00 33.12 C ATOM 778 O ALA A 52 -4.701 6.674 -12.603 1.00 21.35 O ATOM 779 CB ALA A 52 -4.369 4.347 -14.837 1.00 42.52 C ATOM 0 H ALA A 52 -2.791 5.548 -16.295 1.00 13.31 H new ATOM 0 HA ALA A 52 -5.211 6.300 -15.060 1.00 40.23 H new ATOM 0 HB1 ALA A 52 -5.090 4.031 -14.083 1.00 42.52 H new ATOM 0 HB2 ALA A 52 -4.708 4.024 -15.821 1.00 42.52 H new ATOM 0 HB3 ALA A 52 -3.399 3.898 -14.622 1.00 42.52 H new ATOM 785 N LEU A 53 -2.543 6.381 -13.167 1.00 1.41 N ATOM 786 CA LEU A 53 -2.031 6.821 -11.874 1.00 2.14 C ATOM 787 C LEU A 53 -2.318 8.302 -11.650 1.00 45.21 C ATOM 788 O LEU A 53 -2.309 8.781 -10.516 1.00 64.14 O ATOM 789 CB LEU A 53 -0.525 6.563 -11.784 1.00 21.52 C ATOM 790 CG LEU A 53 -0.073 5.128 -12.060 1.00 53.11 C ATOM 791 CD1 LEU A 53 1.445 5.045 -12.097 1.00 20.41 C ATOM 792 CD2 LEU A 53 -0.636 4.180 -11.012 1.00 55.12 C ATOM 0 H LEU A 53 -1.822 6.112 -13.836 1.00 1.41 H new ATOM 0 HA LEU A 53 -2.539 6.249 -11.097 1.00 2.14 H new ATOM 0 HB2 LEU A 53 -0.020 7.224 -12.489 1.00 21.52 H new ATOM 0 HB3 LEU A 53 -0.187 6.844 -10.786 1.00 21.52 H new ATOM 0 HG LEU A 53 -0.457 4.828 -13.035 1.00 53.11 H new ATOM 0 HD11 LEU A 53 1.748 4.017 -12.294 1.00 20.41 H new ATOM 0 HD12 LEU A 53 1.826 5.694 -12.886 1.00 20.41 H new ATOM 0 HD13 LEU A 53 1.850 5.365 -11.137 1.00 20.41 H new ATOM 0 HD21 LEU A 53 -0.304 3.164 -11.225 1.00 55.12 H new ATOM 0 HD22 LEU A 53 -0.283 4.478 -10.025 1.00 55.12 H new ATOM 0 HD23 LEU A 53 -1.725 4.218 -11.035 1.00 55.12 H new ATOM 804 N GLU A 54 -2.575 9.021 -12.738 1.00 41.44 N ATOM 805 CA GLU A 54 -2.866 10.448 -12.659 1.00 73.40 C ATOM 806 C GLU A 54 -4.195 10.692 -11.952 1.00 14.43 C ATOM 807 O GLU A 54 -4.326 11.625 -11.158 1.00 14.01 O ATOM 808 CB GLU A 54 -2.900 11.062 -14.061 1.00 11.14 C ATOM 809 CG GLU A 54 -1.625 10.834 -14.856 1.00 53.53 C ATOM 810 CD GLU A 54 -0.395 11.371 -14.152 1.00 22.11 C ATOM 811 OE1 GLU A 54 0.566 10.596 -13.964 1.00 41.13 O ATOM 812 OE2 GLU A 54 -0.392 12.566 -13.789 1.00 21.12 O ATOM 0 H GLU A 54 -2.588 8.639 -13.684 1.00 41.44 H new ATOM 0 HA GLU A 54 -2.074 10.924 -12.081 1.00 73.40 H new ATOM 0 HB2 GLU A 54 -3.742 10.642 -14.612 1.00 11.14 H new ATOM 0 HB3 GLU A 54 -3.078 12.134 -13.975 1.00 11.14 H new ATOM 0 HG2 GLU A 54 -1.499 9.766 -15.035 1.00 53.53 H new ATOM 0 HG3 GLU A 54 -1.719 11.312 -15.831 1.00 53.53 H new ATOM 820 N ARG A 55 -5.180 9.851 -12.247 1.00 62.31 N ATOM 821 CA ARG A 55 -6.500 9.976 -11.641 1.00 74.21 C ATOM 822 C ARG A 55 -6.495 9.446 -10.210 1.00 30.23 C ATOM 823 O ARG A 55 -7.200 9.962 -9.342 1.00 5.20 O ATOM 824 CB ARG A 55 -7.539 9.221 -12.472 1.00 33.44 C ATOM 825 CG ARG A 55 -8.865 9.021 -11.754 1.00 23.04 C ATOM 826 CD ARG A 55 -9.501 10.350 -11.377 1.00 3.12 C ATOM 827 NE ARG A 55 -10.818 10.517 -11.983 1.00 13.11 N ATOM 828 CZ ARG A 55 -11.531 11.635 -11.896 1.00 44.54 C ATOM 829 NH1 ARG A 55 -11.054 12.679 -11.233 1.00 71.33 N ATOM 830 NH2 ARG A 55 -12.723 11.710 -12.476 1.00 12.55 N ATOM 0 H ARG A 55 -5.089 9.075 -12.903 1.00 62.31 H new ATOM 0 HA ARG A 55 -6.762 11.034 -11.617 1.00 74.21 H new ATOM 0 HB2 ARG A 55 -7.716 9.766 -13.399 1.00 33.44 H new ATOM 0 HB3 ARG A 55 -7.134 8.247 -12.747 1.00 33.44 H new ATOM 0 HG2 ARG A 55 -9.545 8.459 -12.394 1.00 23.04 H new ATOM 0 HG3 ARG A 55 -8.707 8.424 -10.856 1.00 23.04 H new ATOM 0 HD2 ARG A 55 -9.590 10.415 -10.293 1.00 3.12 H new ATOM 0 HD3 ARG A 55 -8.851 11.166 -11.693 1.00 3.12 H new ATOM 0 HE ARG A 55 -11.213 9.733 -12.502 1.00 13.11 H new ATOM 0 HH11 ARG A 55 -10.138 12.625 -10.788 1.00 71.33 H new ATOM 0 HH12 ARG A 55 -11.603 13.536 -11.168 1.00 71.33 H new ATOM 0 HH21 ARG A 55 -13.092 10.909 -12.989 1.00 12.55 H new ATOM 0 HH22 ARG A 55 -13.270 12.568 -12.409 1.00 12.55 H new ATOM 844 N THR A 56 -5.695 8.411 -9.971 1.00 31.40 N ATOM 845 CA THR A 56 -5.599 7.810 -8.646 1.00 65.44 C ATOM 846 C THR A 56 -4.792 8.691 -7.699 1.00 43.34 C ATOM 847 O THR A 56 -5.202 8.937 -6.565 1.00 45.14 O ATOM 848 CB THR A 56 -4.950 6.415 -8.710 1.00 23.53 C ATOM 849 OG1 THR A 56 -3.571 6.531 -9.077 1.00 2.43 O ATOM 850 CG2 THR A 56 -5.672 5.526 -9.711 1.00 64.10 C ATOM 0 H THR A 56 -5.105 7.972 -10.677 1.00 31.40 H new ATOM 0 HA THR A 56 -6.617 7.713 -8.268 1.00 65.44 H new ATOM 0 HB THR A 56 -5.026 5.960 -7.723 1.00 23.53 H new ATOM 0 HG1 THR A 56 -3.038 5.898 -8.552 1.00 2.43 H new ATOM 0 HG21 THR A 56 -5.195 4.546 -9.738 1.00 64.10 H new ATOM 0 HG22 THR A 56 -6.714 5.414 -9.413 1.00 64.10 H new ATOM 0 HG23 THR A 56 -5.625 5.980 -10.701 1.00 64.10 H new ATOM 858 N ARG A 57 -3.643 9.164 -8.173 1.00 71.14 N ATOM 859 CA ARG A 57 -2.779 10.018 -7.368 1.00 0.15 C ATOM 860 C ARG A 57 -3.552 11.216 -6.825 1.00 43.13 C ATOM 861 O ARG A 57 -3.210 11.763 -5.778 1.00 15.35 O ATOM 862 CB ARG A 57 -1.587 10.499 -8.197 1.00 1.13 C ATOM 863 CG ARG A 57 -1.958 11.514 -9.265 1.00 0.50 C ATOM 864 CD ARG A 57 -0.726 12.212 -9.822 1.00 72.13 C ATOM 865 NE ARG A 57 0.204 11.270 -10.438 1.00 24.31 N ATOM 866 CZ ARG A 57 1.310 11.640 -11.076 1.00 32.42 C ATOM 867 NH1 ARG A 57 1.621 12.924 -11.179 1.00 12.44 N ATOM 868 NH2 ARG A 57 2.107 10.723 -11.610 1.00 15.42 N ATOM 0 H ARG A 57 -3.290 8.970 -9.110 1.00 71.14 H new ATOM 0 HA ARG A 57 -2.413 9.432 -6.525 1.00 0.15 H new ATOM 0 HB2 ARG A 57 -0.846 10.940 -7.530 1.00 1.13 H new ATOM 0 HB3 ARG A 57 -1.116 9.639 -8.673 1.00 1.13 H new ATOM 0 HG2 ARG A 57 -2.491 11.014 -10.074 1.00 0.50 H new ATOM 0 HG3 ARG A 57 -2.638 12.255 -8.844 1.00 0.50 H new ATOM 0 HD2 ARG A 57 -1.032 12.954 -10.559 1.00 72.13 H new ATOM 0 HD3 ARG A 57 -0.220 12.749 -9.020 1.00 72.13 H new ATOM 0 HE ARG A 57 -0.006 10.274 -10.375 1.00 24.31 H new ATOM 0 HH11 ARG A 57 1.011 13.631 -10.768 1.00 12.44 H new ATOM 0 HH12 ARG A 57 2.470 13.205 -11.669 1.00 12.44 H new ATOM 0 HH21 ARG A 57 1.871 9.734 -11.531 1.00 15.42 H new ATOM 0 HH22 ARG A 57 2.955 11.007 -12.099 1.00 15.42 H new ATOM 882 N GLN A 58 -4.594 11.618 -7.546 1.00 32.22 N ATOM 883 CA GLN A 58 -5.414 12.752 -7.137 1.00 51.13 C ATOM 884 C GLN A 58 -6.115 12.468 -5.813 1.00 62.13 C ATOM 885 O GLN A 58 -6.218 13.343 -4.952 1.00 64.31 O ATOM 886 CB GLN A 58 -6.448 13.076 -8.216 1.00 51.01 C ATOM 887 CG GLN A 58 -5.872 13.832 -9.404 1.00 21.04 C ATOM 888 CD GLN A 58 -5.473 15.252 -9.053 1.00 33.32 C ATOM 889 OE1 GLN A 58 -4.257 15.418 -8.547 1.00 62.51 O flip ATOM 890 NE2 GLN A 58 -6.250 16.191 -9.235 1.00 23.03 N flip ATOM 0 H GLN A 58 -4.890 11.175 -8.416 1.00 32.22 H new ATOM 0 HA GLN A 58 -4.758 13.612 -7.002 1.00 51.13 H new ATOM 0 HB2 GLN A 58 -6.895 12.147 -8.569 1.00 51.01 H new ATOM 0 HB3 GLN A 58 -7.249 13.668 -7.773 1.00 51.01 H new ATOM 0 HG2 GLN A 58 -5.001 13.297 -9.783 1.00 21.04 H new ATOM 0 HG3 GLN A 58 -6.608 13.853 -10.208 1.00 21.04 H new ATOM 0 HE21 GLN A 58 -7.176 16.018 -9.627 1.00 23.03 H new ATOM 0 HE22 GLN A 58 -5.967 17.141 -8.994 1.00 23.03 H new ATOM 899 N LEU A 59 -6.597 11.239 -5.656 1.00 43.43 N ATOM 900 CA LEU A 59 -7.290 10.838 -4.437 1.00 13.33 C ATOM 901 C LEU A 59 -6.314 10.243 -3.427 1.00 71.43 C ATOM 902 O LEU A 59 -6.723 9.643 -2.433 1.00 51.11 O ATOM 903 CB LEU A 59 -8.389 9.825 -4.761 1.00 2.13 C ATOM 904 CG LEU A 59 -9.289 10.168 -5.948 1.00 34.15 C ATOM 905 CD1 LEU A 59 -9.309 9.025 -6.951 1.00 0.35 C ATOM 906 CD2 LEU A 59 -10.700 10.487 -5.472 1.00 44.03 C ATOM 0 H LEU A 59 -6.520 10.503 -6.358 1.00 43.43 H new ATOM 0 HA LEU A 59 -7.743 11.726 -3.997 1.00 13.33 H new ATOM 0 HB2 LEU A 59 -7.920 8.860 -4.953 1.00 2.13 H new ATOM 0 HB3 LEU A 59 -9.016 9.705 -3.878 1.00 2.13 H new ATOM 0 HG LEU A 59 -8.885 11.051 -6.443 1.00 34.15 H new ATOM 0 HD11 LEU A 59 -9.955 9.287 -7.789 1.00 0.35 H new ATOM 0 HD12 LEU A 59 -8.298 8.843 -7.315 1.00 0.35 H new ATOM 0 HD13 LEU A 59 -9.689 8.124 -6.469 1.00 0.35 H new ATOM 0 HD21 LEU A 59 -11.327 10.729 -6.330 1.00 44.03 H new ATOM 0 HD22 LEU A 59 -11.113 9.622 -4.953 1.00 44.03 H new ATOM 0 HD23 LEU A 59 -10.671 11.339 -4.792 1.00 44.03 H new ATOM 918 N ASP A 60 -5.023 10.414 -3.688 1.00 53.40 N ATOM 919 CA ASP A 60 -3.988 9.897 -2.800 1.00 33.14 C ATOM 920 C ASP A 60 -4.019 8.372 -2.760 1.00 52.20 C ATOM 921 O ASP A 60 -4.477 7.777 -1.785 1.00 21.14 O ATOM 922 CB ASP A 60 -4.168 10.460 -1.390 1.00 3.54 C ATOM 923 CG ASP A 60 -4.622 11.907 -1.397 1.00 3.12 C ATOM 924 OD1 ASP A 60 -5.776 12.169 -0.997 1.00 42.32 O ATOM 925 OD2 ASP A 60 -3.823 12.777 -1.803 1.00 40.11 O ATOM 0 H ASP A 60 -4.668 10.907 -4.507 1.00 53.40 H new ATOM 0 HA ASP A 60 -3.020 10.213 -3.188 1.00 33.14 H new ATOM 0 HB2 ASP A 60 -4.898 9.856 -0.851 1.00 3.54 H new ATOM 0 HB3 ASP A 60 -3.226 10.381 -0.847 1.00 3.54 H new ATOM 931 N ILE A 61 -3.532 7.748 -3.826 1.00 0.11 N ATOM 932 CA ILE A 61 -3.504 6.293 -3.913 1.00 24.44 C ATOM 933 C ILE A 61 -2.116 5.792 -4.297 1.00 73.53 C ATOM 934 O ILE A 61 -1.495 6.272 -5.245 1.00 15.31 O ATOM 935 CB ILE A 61 -4.529 5.770 -4.937 1.00 21.31 C ATOM 936 CG1 ILE A 61 -5.898 6.408 -4.692 1.00 42.45 C ATOM 937 CG2 ILE A 61 -4.625 4.253 -4.862 1.00 52.52 C ATOM 938 CD1 ILE A 61 -6.907 6.108 -5.778 1.00 1.10 C ATOM 0 H ILE A 61 -3.151 8.227 -4.642 1.00 0.11 H new ATOM 0 HA ILE A 61 -3.764 5.913 -2.925 1.00 24.44 H new ATOM 0 HB ILE A 61 -4.194 6.045 -5.937 1.00 21.31 H new ATOM 0 HG12 ILE A 61 -6.288 6.056 -3.737 1.00 42.45 H new ATOM 0 HG13 ILE A 61 -5.777 7.488 -4.608 1.00 42.45 H new ATOM 0 HG21 ILE A 61 -5.353 3.898 -5.591 1.00 52.52 H new ATOM 0 HG22 ILE A 61 -3.651 3.816 -5.080 1.00 52.52 H new ATOM 0 HG23 ILE A 61 -4.940 3.957 -3.861 1.00 52.52 H new ATOM 0 HD11 ILE A 61 -7.854 6.592 -5.539 1.00 1.10 H new ATOM 0 HD12 ILE A 61 -6.538 6.485 -6.732 1.00 1.10 H new ATOM 0 HD13 ILE A 61 -7.057 5.031 -5.847 1.00 1.10 H new ATOM 950 N PRO A 62 -1.617 4.799 -3.546 1.00 30.52 N ATOM 951 CA PRO A 62 -0.298 4.208 -3.790 1.00 65.20 C ATOM 952 C PRO A 62 -0.260 3.386 -5.075 1.00 2.50 C ATOM 953 O PRO A 62 -1.188 2.634 -5.369 1.00 32.34 O ATOM 954 CB PRO A 62 -0.081 3.306 -2.573 1.00 34.21 C ATOM 955 CG PRO A 62 -1.455 2.971 -2.101 1.00 24.32 C ATOM 956 CD PRO A 62 -2.301 4.177 -2.400 1.00 51.13 C ATOM 0 HA PRO A 62 0.472 4.969 -3.916 1.00 65.20 H new ATOM 0 HB2 PRO A 62 0.476 2.408 -2.840 1.00 34.21 H new ATOM 0 HB3 PRO A 62 0.490 3.817 -1.798 1.00 34.21 H new ATOM 0 HG2 PRO A 62 -1.839 2.088 -2.613 1.00 24.32 H new ATOM 0 HG3 PRO A 62 -1.457 2.747 -1.034 1.00 24.32 H new ATOM 0 HD2 PRO A 62 -3.325 3.898 -2.647 1.00 51.13 H new ATOM 0 HD3 PRO A 62 -2.352 4.854 -1.547 1.00 51.13 H new ATOM 964 N ASP A 63 0.819 3.537 -5.835 1.00 23.23 N ATOM 965 CA ASP A 63 0.979 2.807 -7.087 1.00 42.05 C ATOM 966 C ASP A 63 1.152 1.314 -6.829 1.00 4.33 C ATOM 967 O ASP A 63 1.118 0.506 -7.756 1.00 61.55 O ATOM 968 CB ASP A 63 2.181 3.346 -7.866 1.00 60.32 C ATOM 969 CG ASP A 63 2.103 4.843 -8.088 1.00 62.30 C ATOM 970 OD1 ASP A 63 0.988 5.351 -8.329 1.00 72.43 O ATOM 971 OD2 ASP A 63 3.158 5.508 -8.019 1.00 70.03 O ATOM 0 H ASP A 63 1.595 4.158 -5.606 1.00 23.23 H new ATOM 0 HA ASP A 63 0.076 2.951 -7.681 1.00 42.05 H new ATOM 0 HB2 ASP A 63 3.097 3.109 -7.325 1.00 60.32 H new ATOM 0 HB3 ASP A 63 2.241 2.841 -8.830 1.00 60.32 H new ATOM 977 N GLU A 64 1.340 0.956 -5.563 1.00 20.13 N ATOM 978 CA GLU A 64 1.521 -0.440 -5.182 1.00 60.14 C ATOM 979 C GLU A 64 0.192 -1.189 -5.211 1.00 73.14 C ATOM 980 O GLU A 64 0.156 -2.410 -5.363 1.00 23.40 O ATOM 981 CB GLU A 64 2.143 -0.536 -3.788 1.00 63.24 C ATOM 982 CG GLU A 64 3.313 0.409 -3.577 1.00 41.50 C ATOM 983 CD GLU A 64 4.493 0.086 -4.473 1.00 2.15 C ATOM 984 OE1 GLU A 64 5.314 0.994 -4.722 1.00 1.24 O ATOM 985 OE2 GLU A 64 4.596 -1.074 -4.925 1.00 13.41 O ATOM 0 H GLU A 64 1.371 1.613 -4.784 1.00 20.13 H new ATOM 0 HA GLU A 64 2.194 -0.902 -5.904 1.00 60.14 H new ATOM 0 HB2 GLU A 64 1.377 -0.324 -3.042 1.00 63.24 H new ATOM 0 HB3 GLU A 64 2.478 -1.559 -3.619 1.00 63.24 H new ATOM 0 HG2 GLU A 64 2.988 1.432 -3.766 1.00 41.50 H new ATOM 0 HG3 GLU A 64 3.629 0.362 -2.535 1.00 41.50 H new ATOM 993 N LYS A 65 -0.901 -0.448 -5.065 1.00 0.54 N ATOM 994 CA LYS A 65 -2.234 -1.038 -5.075 1.00 31.24 C ATOM 995 C LYS A 65 -3.001 -0.630 -6.328 1.00 64.43 C ATOM 996 O LYS A 65 -3.933 -1.315 -6.749 1.00 30.32 O ATOM 997 CB LYS A 65 -3.012 -0.612 -3.827 1.00 44.30 C ATOM 998 CG LYS A 65 -3.633 0.770 -3.940 1.00 44.11 C ATOM 999 CD LYS A 65 -4.255 1.210 -2.625 1.00 53.24 C ATOM 1000 CE LYS A 65 -5.366 0.267 -2.192 1.00 20.23 C ATOM 1001 NZ LYS A 65 -5.058 -0.393 -0.892 1.00 53.13 N ATOM 0 H LYS A 65 -0.890 0.564 -4.938 1.00 0.54 H new ATOM 0 HA LYS A 65 -2.124 -2.122 -5.075 1.00 31.24 H new ATOM 0 HB2 LYS A 65 -3.800 -1.340 -3.634 1.00 44.30 H new ATOM 0 HB3 LYS A 65 -2.342 -0.631 -2.967 1.00 44.30 H new ATOM 0 HG2 LYS A 65 -2.871 1.489 -4.242 1.00 44.11 H new ATOM 0 HG3 LYS A 65 -4.394 0.765 -4.720 1.00 44.11 H new ATOM 0 HD2 LYS A 65 -3.487 1.248 -1.853 1.00 53.24 H new ATOM 0 HD3 LYS A 65 -4.653 2.219 -2.729 1.00 53.24 H new ATOM 0 HE2 LYS A 65 -6.300 0.822 -2.105 1.00 20.23 H new ATOM 0 HE3 LYS A 65 -5.517 -0.493 -2.959 1.00 20.23 H new ATOM 0 HZ1 LYS A 65 -5.940 -0.732 -0.457 1.00 53.13 H new ATOM 0 HZ2 LYS A 65 -4.420 -1.198 -1.054 1.00 53.13 H new ATOM 0 HZ3 LYS A 65 -4.599 0.290 -0.256 1.00 53.13 H new ATOM 1015 N THR A 66 -2.601 0.489 -6.924 1.00 13.20 N ATOM 1016 CA THR A 66 -3.249 0.987 -8.129 1.00 55.51 C ATOM 1017 C THR A 66 -2.822 0.188 -9.355 1.00 52.51 C ATOM 1018 O THR A 66 -3.627 -0.075 -10.248 1.00 3.10 O ATOM 1019 CB THR A 66 -2.931 2.476 -8.365 1.00 50.42 C ATOM 1020 OG1 THR A 66 -3.218 3.232 -7.183 1.00 64.21 O ATOM 1021 CG2 THR A 66 -3.739 3.025 -9.531 1.00 44.33 C ATOM 0 H THR A 66 -1.830 1.068 -6.590 1.00 13.20 H new ATOM 0 HA THR A 66 -4.322 0.871 -7.979 1.00 55.51 H new ATOM 0 HB THR A 66 -1.871 2.564 -8.604 1.00 50.42 H new ATOM 0 HG1 THR A 66 -2.497 3.106 -6.531 1.00 64.21 H new ATOM 0 HG21 THR A 66 -3.497 4.078 -9.678 1.00 44.33 H new ATOM 0 HG22 THR A 66 -3.497 2.467 -10.436 1.00 44.33 H new ATOM 0 HG23 THR A 66 -4.803 2.924 -9.316 1.00 44.33 H new ATOM 1029 N MET A 67 -1.550 -0.197 -9.390 1.00 41.31 N ATOM 1030 CA MET A 67 -1.017 -0.969 -10.506 1.00 21.01 C ATOM 1031 C MET A 67 -1.895 -2.182 -10.797 1.00 53.04 C ATOM 1032 O MET A 67 -2.378 -2.375 -11.913 1.00 43.14 O ATOM 1033 CB MET A 67 0.413 -1.421 -10.203 1.00 25.34 C ATOM 1034 CG MET A 67 1.471 -0.416 -10.626 1.00 50.35 C ATOM 1035 SD MET A 67 1.337 0.042 -12.366 1.00 1.54 S ATOM 1036 CE MET A 67 0.747 -1.493 -13.076 1.00 12.12 C ATOM 0 H MET A 67 -0.870 0.013 -8.659 1.00 41.31 H new ATOM 0 HA MET A 67 -1.010 -0.329 -11.388 1.00 21.01 H new ATOM 0 HB2 MET A 67 0.507 -1.607 -9.133 1.00 25.34 H new ATOM 0 HB3 MET A 67 0.601 -2.368 -10.709 1.00 25.34 H new ATOM 0 HG2 MET A 67 1.383 0.479 -10.011 1.00 50.35 H new ATOM 0 HG3 MET A 67 2.460 -0.835 -10.440 1.00 50.35 H new ATOM 0 HE1 MET A 67 0.995 -1.522 -14.137 1.00 12.12 H new ATOM 0 HE2 MET A 67 1.221 -2.334 -12.570 1.00 12.12 H new ATOM 0 HE3 MET A 67 -0.334 -1.558 -12.954 1.00 12.12 H new ATOM 1046 N PRO A 68 -2.108 -3.020 -9.772 1.00 55.10 N ATOM 1047 CA PRO A 68 -2.930 -4.228 -9.894 1.00 43.44 C ATOM 1048 C PRO A 68 -4.411 -3.907 -10.067 1.00 44.41 C ATOM 1049 O PRO A 68 -5.194 -4.755 -10.495 1.00 50.34 O ATOM 1050 CB PRO A 68 -2.692 -4.954 -8.568 1.00 13.31 C ATOM 1051 CG PRO A 68 -2.312 -3.878 -7.610 1.00 35.31 C ATOM 1052 CD PRO A 68 -1.564 -2.852 -8.414 1.00 61.01 C ATOM 0 HA PRO A 68 -2.662 -4.816 -10.772 1.00 43.44 H new ATOM 0 HB2 PRO A 68 -3.588 -5.480 -8.238 1.00 13.31 H new ATOM 0 HB3 PRO A 68 -1.902 -5.699 -8.661 1.00 13.31 H new ATOM 0 HG2 PRO A 68 -3.195 -3.441 -7.144 1.00 35.31 H new ATOM 0 HG3 PRO A 68 -1.690 -4.273 -6.806 1.00 35.31 H new ATOM 0 HD2 PRO A 68 -1.733 -1.844 -8.035 1.00 61.01 H new ATOM 0 HD3 PRO A 68 -0.488 -3.027 -8.387 1.00 61.01 H new ATOM 1060 N VAL A 69 -4.788 -2.677 -9.734 1.00 0.42 N ATOM 1061 CA VAL A 69 -6.175 -2.243 -9.854 1.00 62.21 C ATOM 1062 C VAL A 69 -6.500 -1.834 -11.286 1.00 71.35 C ATOM 1063 O VAL A 69 -7.517 -2.249 -11.845 1.00 51.43 O ATOM 1064 CB VAL A 69 -6.477 -1.061 -8.913 1.00 20.41 C ATOM 1065 CG1 VAL A 69 -7.708 -0.304 -9.386 1.00 74.52 C ATOM 1066 CG2 VAL A 69 -6.658 -1.551 -7.484 1.00 41.34 C ATOM 0 H VAL A 69 -4.152 -1.963 -9.379 1.00 0.42 H new ATOM 0 HA VAL A 69 -6.798 -3.091 -9.571 1.00 62.21 H new ATOM 0 HB VAL A 69 -5.629 -0.376 -8.933 1.00 20.41 H new ATOM 0 HG11 VAL A 69 -7.906 0.527 -8.709 1.00 74.52 H new ATOM 0 HG12 VAL A 69 -7.535 0.080 -10.391 1.00 74.52 H new ATOM 0 HG13 VAL A 69 -8.566 -0.976 -9.397 1.00 74.52 H new ATOM 0 HG21 VAL A 69 -6.871 -0.703 -6.833 1.00 41.34 H new ATOM 0 HG22 VAL A 69 -7.488 -2.257 -7.444 1.00 41.34 H new ATOM 0 HG23 VAL A 69 -5.745 -2.045 -7.150 1.00 41.34 H new ATOM 1076 N LEU A 70 -5.632 -1.021 -11.875 1.00 42.31 N ATOM 1077 CA LEU A 70 -5.826 -0.555 -13.245 1.00 20.41 C ATOM 1078 C LEU A 70 -5.610 -1.691 -14.240 1.00 51.22 C ATOM 1079 O LEU A 70 -6.326 -1.799 -15.236 1.00 25.10 O ATOM 1080 CB LEU A 70 -4.869 0.597 -13.553 1.00 12.53 C ATOM 1081 CG LEU A 70 -3.394 0.223 -13.707 1.00 15.34 C ATOM 1082 CD1 LEU A 70 -3.053 -0.006 -15.170 1.00 44.21 C ATOM 1083 CD2 LEU A 70 -2.506 1.307 -13.113 1.00 24.24 C ATOM 0 H LEU A 70 -4.786 -0.670 -11.426 1.00 42.31 H new ATOM 0 HA LEU A 70 -6.852 -0.201 -13.342 1.00 20.41 H new ATOM 0 HB2 LEU A 70 -5.198 1.080 -14.473 1.00 12.53 H new ATOM 0 HB3 LEU A 70 -4.954 1.336 -12.757 1.00 12.53 H new ATOM 0 HG LEU A 70 -3.214 -0.705 -13.164 1.00 15.34 H new ATOM 0 HD11 LEU A 70 -2.000 -0.271 -15.261 1.00 44.21 H new ATOM 0 HD12 LEU A 70 -3.666 -0.816 -15.564 1.00 44.21 H new ATOM 0 HD13 LEU A 70 -3.248 0.905 -15.736 1.00 44.21 H new ATOM 0 HD21 LEU A 70 -1.460 1.025 -13.231 1.00 24.24 H new ATOM 0 HD22 LEU A 70 -2.688 2.250 -13.629 1.00 24.24 H new ATOM 0 HD23 LEU A 70 -2.733 1.423 -12.053 1.00 24.24 H new ATOM 1095 N MET A 71 -4.621 -2.533 -13.964 1.00 24.51 N ATOM 1096 CA MET A 71 -4.314 -3.662 -14.834 1.00 65.45 C ATOM 1097 C MET A 71 -5.455 -4.675 -14.835 1.00 21.12 C ATOM 1098 O MET A 71 -5.625 -5.434 -15.789 1.00 71.12 O ATOM 1099 CB MET A 71 -3.016 -4.340 -14.389 1.00 55.10 C ATOM 1100 CG MET A 71 -3.219 -5.395 -13.314 1.00 53.40 C ATOM 1101 SD MET A 71 -1.696 -6.262 -12.895 1.00 42.11 S ATOM 1102 CE MET A 71 -0.596 -4.883 -12.582 1.00 30.35 C ATOM 0 H MET A 71 -4.018 -2.455 -13.145 1.00 24.51 H new ATOM 0 HA MET A 71 -4.188 -3.282 -15.848 1.00 65.45 H new ATOM 0 HB2 MET A 71 -2.542 -4.802 -15.255 1.00 55.10 H new ATOM 0 HB3 MET A 71 -2.328 -3.581 -14.016 1.00 55.10 H new ATOM 0 HG2 MET A 71 -3.622 -4.922 -12.418 1.00 53.40 H new ATOM 0 HG3 MET A 71 -3.961 -6.117 -13.655 1.00 53.40 H new ATOM 0 HE1 MET A 71 0.395 -5.259 -12.327 1.00 30.35 H new ATOM 0 HE2 MET A 71 -0.530 -4.261 -13.474 1.00 30.35 H new ATOM 0 HE3 MET A 71 -0.983 -4.290 -11.754 1.00 30.35 H new ATOM 1112 N LYS A 72 -6.235 -4.680 -13.759 1.00 63.53 N ATOM 1113 CA LYS A 72 -7.362 -5.599 -13.636 1.00 25.14 C ATOM 1114 C LYS A 72 -8.416 -5.314 -14.700 1.00 62.05 C ATOM 1115 O LYS A 72 -9.053 -6.231 -15.219 1.00 34.42 O ATOM 1116 CB LYS A 72 -7.985 -5.488 -12.243 1.00 22.12 C ATOM 1117 CG LYS A 72 -9.327 -6.188 -12.120 1.00 21.52 C ATOM 1118 CD LYS A 72 -9.194 -7.690 -12.313 1.00 41.30 C ATOM 1119 CE LYS A 72 -10.293 -8.237 -13.209 1.00 55.14 C ATOM 1120 NZ LYS A 72 -10.510 -9.695 -12.994 1.00 54.42 N ATOM 0 H LYS A 72 -6.108 -4.059 -12.960 1.00 63.53 H new ATOM 0 HA LYS A 72 -6.990 -6.613 -13.782 1.00 25.14 H new ATOM 0 HB2 LYS A 72 -7.296 -5.910 -11.511 1.00 22.12 H new ATOM 0 HB3 LYS A 72 -8.110 -4.434 -11.993 1.00 22.12 H new ATOM 0 HG2 LYS A 72 -9.756 -5.983 -11.139 1.00 21.52 H new ATOM 0 HG3 LYS A 72 -10.018 -5.785 -12.861 1.00 21.52 H new ATOM 0 HD2 LYS A 72 -8.221 -7.917 -12.749 1.00 41.30 H new ATOM 0 HD3 LYS A 72 -9.233 -8.187 -11.344 1.00 41.30 H new ATOM 0 HE2 LYS A 72 -11.221 -7.699 -13.015 1.00 55.14 H new ATOM 0 HE3 LYS A 72 -10.033 -8.058 -14.252 1.00 55.14 H new ATOM 0 HZ1 LYS A 72 -11.515 -9.921 -13.137 1.00 54.42 H new ATOM 0 HZ2 LYS A 72 -9.934 -10.235 -13.671 1.00 54.42 H new ATOM 0 HZ3 LYS A 72 -10.233 -9.948 -12.024 1.00 54.42 H new ATOM 1134 N LEU A 73 -8.593 -4.038 -15.024 1.00 32.21 N ATOM 1135 CA LEU A 73 -9.569 -3.632 -16.029 1.00 14.04 C ATOM 1136 C LEU A 73 -9.086 -3.985 -17.432 1.00 3.25 C ATOM 1137 O LEU A 73 -9.859 -4.459 -18.265 1.00 64.40 O ATOM 1138 CB LEU A 73 -9.835 -2.128 -15.932 1.00 10.02 C ATOM 1139 CG LEU A 73 -9.825 -1.534 -14.523 1.00 72.23 C ATOM 1140 CD1 LEU A 73 -10.052 -0.031 -14.576 1.00 34.12 C ATOM 1141 CD2 LEU A 73 -10.881 -2.204 -13.655 1.00 15.03 C ATOM 0 H LEU A 73 -8.073 -3.267 -14.605 1.00 32.21 H new ATOM 0 HA LEU A 73 -10.496 -4.172 -15.838 1.00 14.04 H new ATOM 0 HB2 LEU A 73 -9.086 -1.608 -16.529 1.00 10.02 H new ATOM 0 HB3 LEU A 73 -10.804 -1.921 -16.385 1.00 10.02 H new ATOM 0 HG LEU A 73 -8.847 -1.718 -14.078 1.00 72.23 H new ATOM 0 HD11 LEU A 73 -10.042 0.374 -13.564 1.00 34.12 H new ATOM 0 HD12 LEU A 73 -9.261 0.436 -15.162 1.00 34.12 H new ATOM 0 HD13 LEU A 73 -11.017 0.175 -15.040 1.00 34.12 H new ATOM 0 HD21 LEU A 73 -10.860 -1.769 -12.656 1.00 15.03 H new ATOM 0 HD22 LEU A 73 -11.866 -2.051 -14.097 1.00 15.03 H new ATOM 0 HD23 LEU A 73 -10.674 -3.272 -13.590 1.00 15.03 H new ATOM 1153 N LEU A 74 -7.802 -3.753 -17.685 1.00 72.20 N ATOM 1154 CA LEU A 74 -7.215 -4.049 -18.987 1.00 1.41 C ATOM 1155 C LEU A 74 -7.020 -5.551 -19.168 1.00 71.31 C ATOM 1156 O LEU A 74 -6.955 -6.047 -20.292 1.00 52.31 O ATOM 1157 CB LEU A 74 -5.873 -3.328 -19.139 1.00 55.11 C ATOM 1158 CG LEU A 74 -5.920 -1.801 -19.061 1.00 21.00 C ATOM 1159 CD1 LEU A 74 -4.775 -1.275 -18.211 1.00 41.23 C ATOM 1160 CD2 LEU A 74 -5.874 -1.195 -20.457 1.00 0.14 C ATOM 0 H LEU A 74 -7.149 -3.361 -17.007 1.00 72.20 H new ATOM 0 HA LEU A 74 -7.901 -3.695 -19.756 1.00 1.41 H new ATOM 0 HB2 LEU A 74 -5.198 -3.691 -18.364 1.00 55.11 H new ATOM 0 HB3 LEU A 74 -5.438 -3.610 -20.098 1.00 55.11 H new ATOM 0 HG LEU A 74 -6.858 -1.508 -18.590 1.00 21.00 H new ATOM 0 HD11 LEU A 74 -4.825 -0.187 -18.167 1.00 41.23 H new ATOM 0 HD12 LEU A 74 -4.853 -1.683 -17.203 1.00 41.23 H new ATOM 0 HD13 LEU A 74 -3.825 -1.577 -18.653 1.00 41.23 H new ATOM 0 HD21 LEU A 74 -5.908 -0.108 -20.383 1.00 0.14 H new ATOM 0 HD22 LEU A 74 -4.952 -1.496 -20.954 1.00 0.14 H new ATOM 0 HD23 LEU A 74 -6.729 -1.547 -21.035 1.00 0.14 H new ATOM 1172 N GLU A 75 -6.931 -6.270 -18.053 1.00 5.23 N ATOM 1173 CA GLU A 75 -6.745 -7.715 -18.090 1.00 71.33 C ATOM 1174 C GLU A 75 -7.982 -8.408 -18.657 1.00 25.43 C ATOM 1175 O GLU A 75 -7.881 -9.233 -19.563 1.00 41.34 O ATOM 1176 CB GLU A 75 -6.446 -8.249 -16.687 1.00 62.13 C ATOM 1177 CG GLU A 75 -6.871 -9.694 -16.483 1.00 12.23 C ATOM 1178 CD GLU A 75 -6.207 -10.642 -17.461 1.00 52.22 C ATOM 1179 OE1 GLU A 75 -5.023 -10.422 -17.789 1.00 3.20 O ATOM 1180 OE2 GLU A 75 -6.873 -11.604 -17.900 1.00 4.10 O ATOM 0 H GLU A 75 -6.985 -5.875 -17.114 1.00 5.23 H new ATOM 0 HA GLU A 75 -5.898 -7.930 -18.741 1.00 71.33 H new ATOM 0 HB2 GLU A 75 -5.377 -8.163 -16.495 1.00 62.13 H new ATOM 0 HB3 GLU A 75 -6.953 -7.623 -15.953 1.00 62.13 H new ATOM 0 HG2 GLU A 75 -6.628 -10.000 -15.465 1.00 12.23 H new ATOM 0 HG3 GLU A 75 -7.953 -9.769 -16.589 1.00 12.23 H new ATOM 1188 N GLU A 76 -9.145 -8.066 -18.113 1.00 75.52 N ATOM 1189 CA GLU A 76 -10.401 -8.656 -18.563 1.00 64.23 C ATOM 1190 C GLU A 76 -10.868 -8.011 -19.865 1.00 75.50 C ATOM 1191 O GLU A 76 -11.394 -8.685 -20.750 1.00 31.41 O ATOM 1192 CB GLU A 76 -11.478 -8.500 -17.488 1.00 53.51 C ATOM 1193 CG GLU A 76 -11.301 -9.441 -16.308 1.00 63.24 C ATOM 1194 CD GLU A 76 -12.409 -9.305 -15.283 1.00 1.05 C ATOM 1195 OE1 GLU A 76 -12.900 -8.173 -15.087 1.00 41.12 O ATOM 1196 OE2 GLU A 76 -12.784 -10.329 -14.674 1.00 75.22 O ATOM 0 H GLU A 76 -9.244 -7.384 -17.361 1.00 75.52 H new ATOM 0 HA GLU A 76 -10.231 -9.717 -18.744 1.00 64.23 H new ATOM 0 HB2 GLU A 76 -11.472 -7.472 -17.126 1.00 53.51 H new ATOM 0 HB3 GLU A 76 -12.456 -8.674 -17.937 1.00 53.51 H new ATOM 0 HG2 GLU A 76 -11.269 -10.469 -16.669 1.00 63.24 H new ATOM 0 HG3 GLU A 76 -10.342 -9.242 -15.830 1.00 63.24 H new ATOM 1204 N ALA A 77 -10.674 -6.701 -19.972 1.00 43.15 N ATOM 1205 CA ALA A 77 -11.074 -5.965 -21.165 1.00 53.14 C ATOM 1206 C ALA A 77 -10.129 -6.249 -22.329 1.00 15.13 C ATOM 1207 O ALA A 77 -10.448 -5.967 -23.483 1.00 35.04 O ATOM 1208 CB ALA A 77 -11.122 -4.472 -20.873 1.00 62.43 C ATOM 0 H ALA A 77 -10.242 -6.128 -19.247 1.00 43.15 H new ATOM 0 HA ALA A 77 -12.071 -6.300 -21.451 1.00 53.14 H new ATOM 0 HB1 ALA A 77 -11.422 -3.935 -21.773 1.00 62.43 H new ATOM 0 HB2 ALA A 77 -11.843 -4.280 -20.078 1.00 62.43 H new ATOM 0 HB3 ALA A 77 -10.136 -4.131 -20.559 1.00 62.43 H new ATOM 1214 N GLY A 78 -8.964 -6.807 -22.016 1.00 4.15 N ATOM 1215 CA GLY A 78 -7.991 -7.118 -23.046 1.00 23.04 C ATOM 1216 C GLY A 78 -6.996 -5.995 -23.261 1.00 4.32 C ATOM 1217 O GLY A 78 -5.989 -6.172 -23.946 1.00 2.52 O ATOM 0 H GLY A 78 -8.677 -7.049 -21.068 1.00 4.15 H new ATOM 0 HA2 GLY A 78 -7.455 -8.027 -22.773 1.00 23.04 H new ATOM 0 HA3 GLY A 78 -8.510 -7.323 -23.982 1.00 23.04 H new ATOM 1221 N GLY A 79 -7.278 -4.835 -22.676 1.00 70.01 N ATOM 1222 CA GLY A 79 -6.391 -3.696 -22.820 1.00 53.23 C ATOM 1223 C GLY A 79 -7.031 -2.556 -23.589 1.00 35.20 C ATOM 1224 O GLY A 79 -6.422 -1.992 -24.497 1.00 3.33 O ATOM 0 H GLY A 79 -8.105 -4.664 -22.105 1.00 70.01 H new ATOM 0 HA2 GLY A 79 -6.095 -3.343 -21.832 1.00 53.23 H new ATOM 0 HA3 GLY A 79 -5.481 -4.010 -23.332 1.00 53.23 H new ATOM 1228 N ASN A 80 -8.264 -2.219 -23.226 1.00 72.14 N ATOM 1229 CA ASN A 80 -8.989 -1.141 -23.891 1.00 30.52 C ATOM 1230 C ASN A 80 -9.192 0.040 -22.946 1.00 65.22 C ATOM 1231 O ASN A 80 -10.068 0.013 -22.083 1.00 14.45 O ATOM 1232 CB ASN A 80 -10.343 -1.645 -24.394 1.00 54.30 C ATOM 1233 CG ASN A 80 -10.617 -1.232 -25.828 1.00 22.13 C ATOM 1234 OD1 ASN A 80 -10.752 0.069 -26.054 1.00 12.43 O flip ATOM 1235 ND2 ASN A 80 -10.704 -2.075 -26.722 1.00 2.34 N flip ATOM 0 H ASN A 80 -8.782 -2.676 -22.476 1.00 72.14 H new ATOM 0 HA ASN A 80 -8.395 -0.806 -24.741 1.00 30.52 H new ATOM 0 HB2 ASN A 80 -10.374 -2.732 -24.320 1.00 54.30 H new ATOM 0 HB3 ASN A 80 -11.133 -1.259 -23.750 1.00 54.30 H new ATOM 0 HD21 ASN A 80 -10.593 -3.065 -26.502 1.00 2.34 H new ATOM 0 HD22 ASN A 80 -10.887 -1.783 -27.682 1.00 2.34 H new ATOM 1242 N TRP A 81 -8.375 1.073 -23.118 1.00 40.33 N ATOM 1243 CA TRP A 81 -8.465 2.265 -22.282 1.00 3.40 C ATOM 1244 C TRP A 81 -9.705 3.082 -22.630 1.00 24.23 C ATOM 1245 O TRP A 81 -10.237 3.807 -21.790 1.00 30.13 O ATOM 1246 CB TRP A 81 -7.210 3.124 -22.447 1.00 1.14 C ATOM 1247 CG TRP A 81 -5.964 2.454 -21.955 1.00 5.44 C ATOM 1248 CD1 TRP A 81 -5.077 1.726 -22.696 1.00 33.21 C ATOM 1249 CD2 TRP A 81 -5.465 2.450 -20.613 1.00 12.34 C ATOM 1250 NE1 TRP A 81 -4.058 1.269 -21.894 1.00 52.35 N ATOM 1251 CE2 TRP A 81 -4.273 1.701 -20.612 1.00 63.52 C ATOM 1252 CE3 TRP A 81 -5.909 3.010 -19.411 1.00 61.02 C ATOM 1253 CZ2 TRP A 81 -3.522 1.496 -19.458 1.00 20.12 C ATOM 1254 CZ3 TRP A 81 -5.164 2.805 -18.266 1.00 2.43 C ATOM 1255 CH2 TRP A 81 -3.980 2.054 -18.296 1.00 15.42 C ATOM 0 H TRP A 81 -7.643 1.109 -23.828 1.00 40.33 H new ATOM 0 HA TRP A 81 -8.544 1.945 -21.243 1.00 3.40 H new ATOM 0 HB2 TRP A 81 -7.087 3.376 -23.500 1.00 1.14 H new ATOM 0 HB3 TRP A 81 -7.347 4.062 -21.909 1.00 1.14 H new ATOM 0 HD1 TRP A 81 -5.163 1.537 -23.756 1.00 33.21 H new ATOM 0 HE1 TRP A 81 -3.270 0.700 -22.203 1.00 52.35 H new ATOM 0 HE3 TRP A 81 -6.818 3.592 -19.378 1.00 61.02 H new ATOM 0 HZ2 TRP A 81 -2.610 0.917 -19.479 1.00 20.12 H new ATOM 0 HZ3 TRP A 81 -5.499 3.230 -17.332 1.00 2.43 H new ATOM 0 HH2 TRP A 81 -3.419 1.913 -17.384 1.00 15.42 H new ATOM 1266 N SER A 82 -10.160 2.958 -23.872 1.00 12.30 N ATOM 1267 CA SER A 82 -11.336 3.689 -24.332 1.00 31.55 C ATOM 1268 C SER A 82 -12.523 3.445 -23.405 1.00 52.22 C ATOM 1269 O SER A 82 -13.127 4.386 -22.890 1.00 12.12 O ATOM 1270 CB SER A 82 -11.695 3.273 -25.759 1.00 52.24 C ATOM 1271 OG SER A 82 -12.844 3.965 -26.218 1.00 31.00 O ATOM 0 H SER A 82 -9.733 2.359 -24.578 1.00 12.30 H new ATOM 0 HA SER A 82 -11.100 4.753 -24.320 1.00 31.55 H new ATOM 0 HB2 SER A 82 -10.855 3.476 -26.423 1.00 52.24 H new ATOM 0 HB3 SER A 82 -11.876 2.199 -25.793 1.00 52.24 H new ATOM 0 HG SER A 82 -13.052 3.683 -27.133 1.00 31.00 H new ATOM 1277 N TYR A 83 -12.852 2.175 -23.197 1.00 72.11 N ATOM 1278 CA TYR A 83 -13.968 1.805 -22.335 1.00 2.11 C ATOM 1279 C TYR A 83 -13.590 1.947 -20.864 1.00 32.25 C ATOM 1280 O TYR A 83 -14.395 2.388 -20.044 1.00 12.54 O ATOM 1281 CB TYR A 83 -14.409 0.369 -22.624 1.00 13.33 C ATOM 1282 CG TYR A 83 -15.145 -0.281 -21.474 1.00 24.23 C ATOM 1283 CD1 TYR A 83 -14.457 -0.986 -20.494 1.00 21.31 C ATOM 1284 CD2 TYR A 83 -16.527 -0.188 -21.366 1.00 62.45 C ATOM 1285 CE1 TYR A 83 -15.125 -1.583 -19.442 1.00 65.14 C ATOM 1286 CE2 TYR A 83 -17.203 -0.781 -20.317 1.00 12.50 C ATOM 1287 CZ TYR A 83 -16.498 -1.478 -19.358 1.00 42.40 C ATOM 1288 OH TYR A 83 -17.166 -2.069 -18.311 1.00 11.05 O ATOM 0 H TYR A 83 -12.361 1.384 -23.614 1.00 72.11 H new ATOM 0 HA TYR A 83 -14.797 2.481 -22.545 1.00 2.11 H new ATOM 0 HB2 TYR A 83 -15.052 0.365 -23.504 1.00 13.33 H new ATOM 0 HB3 TYR A 83 -13.531 -0.230 -22.868 1.00 13.33 H new ATOM 0 HD1 TYR A 83 -13.382 -1.069 -20.556 1.00 21.31 H new ATOM 0 HD2 TYR A 83 -17.082 0.357 -22.115 1.00 62.45 H new ATOM 0 HE1 TYR A 83 -14.575 -2.129 -18.690 1.00 65.14 H new ATOM 0 HE2 TYR A 83 -18.278 -0.699 -20.248 1.00 12.50 H new ATOM 0 HH TYR A 83 -18.127 -1.900 -18.399 1.00 11.05 H new ATOM 1298 N ILE A 84 -12.358 1.569 -20.537 1.00 72.04 N ATOM 1299 CA ILE A 84 -11.871 1.655 -19.166 1.00 71.31 C ATOM 1300 C ILE A 84 -11.846 3.100 -18.681 1.00 50.21 C ATOM 1301 O ILE A 84 -11.921 3.366 -17.481 1.00 45.23 O ATOM 1302 CB ILE A 84 -10.460 1.055 -19.031 1.00 64.02 C ATOM 1303 CG1 ILE A 84 -10.498 -0.455 -19.276 1.00 31.42 C ATOM 1304 CG2 ILE A 84 -9.883 1.359 -17.656 1.00 51.12 C ATOM 1305 CD1 ILE A 84 -9.133 -1.066 -19.505 1.00 42.02 C ATOM 0 H ILE A 84 -11.679 1.200 -21.203 1.00 72.04 H new ATOM 0 HA ILE A 84 -12.562 1.080 -18.549 1.00 71.31 H new ATOM 0 HB ILE A 84 -9.815 1.510 -19.783 1.00 64.02 H new ATOM 0 HG12 ILE A 84 -10.966 -0.942 -18.420 1.00 31.42 H new ATOM 0 HG13 ILE A 84 -11.128 -0.658 -20.142 1.00 31.42 H new ATOM 0 HG21 ILE A 84 -8.885 0.928 -17.577 1.00 51.12 H new ATOM 0 HG22 ILE A 84 -9.824 2.438 -17.517 1.00 51.12 H new ATOM 0 HG23 ILE A 84 -10.526 0.929 -16.888 1.00 51.12 H new ATOM 0 HD11 ILE A 84 -9.238 -2.138 -19.672 1.00 42.02 H new ATOM 0 HD12 ILE A 84 -8.671 -0.606 -20.379 1.00 42.02 H new ATOM 0 HD13 ILE A 84 -8.506 -0.894 -18.630 1.00 42.02 H new ATOM 1317 N LYS A 85 -11.740 4.032 -19.622 1.00 52.23 N ATOM 1318 CA LYS A 85 -11.708 5.452 -19.294 1.00 1.35 C ATOM 1319 C LYS A 85 -13.051 6.111 -19.590 1.00 64.10 C ATOM 1320 O LYS A 85 -13.215 7.318 -19.413 1.00 12.04 O ATOM 1321 CB LYS A 85 -10.599 6.154 -20.082 1.00 65.32 C ATOM 1322 CG LYS A 85 -11.072 6.754 -21.394 1.00 43.35 C ATOM 1323 CD LYS A 85 -9.958 6.785 -22.427 1.00 32.24 C ATOM 1324 CE LYS A 85 -8.683 7.385 -21.854 1.00 41.45 C ATOM 1325 NZ LYS A 85 -8.933 8.704 -21.208 1.00 31.44 N ATOM 0 H LYS A 85 -11.675 3.829 -20.619 1.00 52.23 H new ATOM 0 HA LYS A 85 -11.504 5.547 -18.227 1.00 1.35 H new ATOM 0 HB2 LYS A 85 -10.170 6.943 -19.465 1.00 65.32 H new ATOM 0 HB3 LYS A 85 -9.801 5.440 -20.285 1.00 65.32 H new ATOM 0 HG2 LYS A 85 -11.910 6.174 -21.779 1.00 43.35 H new ATOM 0 HG3 LYS A 85 -11.438 7.766 -21.221 1.00 43.35 H new ATOM 0 HD2 LYS A 85 -9.759 5.773 -22.779 1.00 32.24 H new ATOM 0 HD3 LYS A 85 -10.278 7.366 -23.292 1.00 32.24 H new ATOM 0 HE2 LYS A 85 -8.254 6.698 -21.124 1.00 41.45 H new ATOM 0 HE3 LYS A 85 -7.948 7.504 -22.650 1.00 41.45 H new ATOM 0 HZ1 LYS A 85 -8.144 9.348 -21.418 1.00 31.44 H new ATOM 0 HZ2 LYS A 85 -9.818 9.108 -21.576 1.00 31.44 H new ATOM 0 HZ3 LYS A 85 -9.012 8.577 -20.179 1.00 31.44 H new ATOM 1339 N LEU A 86 -14.010 5.310 -20.042 1.00 22.33 N ATOM 1340 CA LEU A 86 -15.341 5.815 -20.361 1.00 25.02 C ATOM 1341 C LEU A 86 -15.904 6.635 -19.206 1.00 13.24 C ATOM 1342 O LEU A 86 -16.684 7.565 -19.413 1.00 52.30 O ATOM 1343 CB LEU A 86 -16.284 4.654 -20.684 1.00 3.13 C ATOM 1344 CG LEU A 86 -17.733 5.033 -20.991 1.00 0.13 C ATOM 1345 CD1 LEU A 86 -17.922 5.260 -22.482 1.00 43.10 C ATOM 1346 CD2 LEU A 86 -18.683 3.955 -20.490 1.00 32.02 C ATOM 0 H LEU A 86 -13.891 4.309 -20.196 1.00 22.33 H new ATOM 0 HA LEU A 86 -15.257 6.462 -21.234 1.00 25.02 H new ATOM 0 HB2 LEU A 86 -15.882 4.113 -21.540 1.00 3.13 H new ATOM 0 HB3 LEU A 86 -16.281 3.964 -19.840 1.00 3.13 H new ATOM 0 HG LEU A 86 -17.963 5.963 -20.471 1.00 0.13 H new ATOM 0 HD11 LEU A 86 -18.960 5.529 -22.680 1.00 43.10 H new ATOM 0 HD12 LEU A 86 -17.268 6.067 -22.813 1.00 43.10 H new ATOM 0 HD13 LEU A 86 -17.674 4.347 -23.023 1.00 43.10 H new ATOM 0 HD21 LEU A 86 -19.710 4.241 -20.717 1.00 32.02 H new ATOM 0 HD22 LEU A 86 -18.453 3.010 -20.982 1.00 32.02 H new ATOM 0 HD23 LEU A 86 -18.568 3.841 -19.412 1.00 32.02 H new ATOM 1358 N ASP A 87 -15.502 6.288 -17.988 1.00 61.44 N ATOM 1359 CA ASP A 87 -15.963 6.994 -16.799 1.00 13.25 C ATOM 1360 C ASP A 87 -14.787 7.583 -16.026 1.00 50.11 C ATOM 1361 O ASP A 87 -14.860 7.768 -14.812 1.00 62.22 O ATOM 1362 CB ASP A 87 -16.761 6.052 -15.897 1.00 74.14 C ATOM 1363 CG ASP A 87 -17.874 5.341 -16.642 1.00 12.30 C ATOM 1364 OD1 ASP A 87 -17.676 4.171 -17.030 1.00 62.35 O ATOM 1365 OD2 ASP A 87 -18.944 5.956 -16.837 1.00 61.35 O ATOM 0 H ASP A 87 -14.857 5.521 -17.799 1.00 61.44 H new ATOM 0 HA ASP A 87 -16.609 7.811 -17.120 1.00 13.25 H new ATOM 0 HB2 ASP A 87 -16.088 5.312 -15.463 1.00 74.14 H new ATOM 0 HB3 ASP A 87 -17.187 6.620 -15.070 1.00 74.14 H new ATOM 1371 N ASN A 88 -13.704 7.875 -16.738 1.00 64.15 N ATOM 1372 CA ASN A 88 -12.512 8.441 -16.119 1.00 44.21 C ATOM 1373 C ASN A 88 -11.870 7.442 -15.160 1.00 45.50 C ATOM 1374 O ASN A 88 -11.436 7.807 -14.067 1.00 62.44 O ATOM 1375 CB ASN A 88 -12.862 9.729 -15.372 1.00 62.21 C ATOM 1376 CG ASN A 88 -11.729 10.737 -15.393 1.00 61.34 C ATOM 1377 OD1 ASN A 88 -11.909 11.882 -15.810 1.00 61.43 O ATOM 1378 ND2 ASN A 88 -10.554 10.315 -14.943 1.00 44.10 N ATOM 0 H ASN A 88 -13.627 7.729 -17.745 1.00 64.15 H new ATOM 0 HA ASN A 88 -11.797 8.670 -16.909 1.00 44.21 H new ATOM 0 HB2 ASN A 88 -13.750 10.175 -15.820 1.00 62.21 H new ATOM 0 HB3 ASN A 88 -13.112 9.490 -14.338 1.00 62.21 H new ATOM 0 HD21 ASN A 88 -9.754 10.948 -14.933 1.00 44.10 H new ATOM 0 HD22 ASN A 88 -10.451 9.358 -14.607 1.00 44.10 H new ATOM 1385 N TYR A 89 -11.813 6.183 -15.579 1.00 24.14 N ATOM 1386 CA TYR A 89 -11.226 5.131 -14.757 1.00 22.23 C ATOM 1387 C TYR A 89 -12.005 4.956 -13.456 1.00 43.41 C ATOM 1388 O TYR A 89 -11.424 4.717 -12.397 1.00 13.32 O ATOM 1389 CB TYR A 89 -9.762 5.452 -14.448 1.00 71.03 C ATOM 1390 CG TYR A 89 -8.924 5.700 -15.683 1.00 31.15 C ATOM 1391 CD1 TYR A 89 -9.159 4.999 -16.859 1.00 21.35 C ATOM 1392 CD2 TYR A 89 -7.897 6.636 -15.672 1.00 72.40 C ATOM 1393 CE1 TYR A 89 -8.396 5.221 -17.987 1.00 44.53 C ATOM 1394 CE2 TYR A 89 -7.129 6.866 -16.797 1.00 33.11 C ATOM 1395 CZ TYR A 89 -7.381 6.157 -17.951 1.00 74.23 C ATOM 1396 OH TYR A 89 -6.619 6.382 -19.075 1.00 31.10 O ATOM 0 H TYR A 89 -12.166 5.866 -16.482 1.00 24.14 H new ATOM 0 HA TYR A 89 -11.276 4.198 -15.318 1.00 22.23 H new ATOM 0 HB2 TYR A 89 -9.719 6.332 -13.807 1.00 71.03 H new ATOM 0 HB3 TYR A 89 -9.328 4.626 -13.884 1.00 71.03 H new ATOM 0 HD1 TYR A 89 -9.953 4.267 -16.891 1.00 21.35 H new ATOM 0 HD2 TYR A 89 -7.696 7.193 -14.769 1.00 72.40 H new ATOM 0 HE1 TYR A 89 -8.591 4.666 -18.893 1.00 44.53 H new ATOM 0 HE2 TYR A 89 -6.335 7.598 -16.772 1.00 33.11 H new ATOM 0 HH TYR A 89 -6.265 5.530 -19.406 1.00 31.10 H new ATOM 1406 N THR A 90 -13.326 5.078 -13.545 1.00 61.14 N ATOM 1407 CA THR A 90 -14.186 4.935 -12.378 1.00 14.02 C ATOM 1408 C THR A 90 -13.893 3.637 -11.634 1.00 45.11 C ATOM 1409 O THR A 90 -13.989 3.577 -10.408 1.00 54.33 O ATOM 1410 CB THR A 90 -15.675 4.963 -12.770 1.00 21.04 C ATOM 1411 OG1 THR A 90 -16.067 6.298 -13.111 1.00 21.43 O ATOM 1412 CG2 THR A 90 -16.545 4.448 -11.632 1.00 42.44 C ATOM 0 H THR A 90 -13.823 5.276 -14.414 1.00 61.14 H new ATOM 0 HA THR A 90 -13.974 5.781 -11.725 1.00 14.02 H new ATOM 0 HB THR A 90 -15.813 4.313 -13.634 1.00 21.04 H new ATOM 0 HG1 THR A 90 -15.293 6.788 -13.459 1.00 21.43 H new ATOM 0 HG21 THR A 90 -17.592 4.477 -11.933 1.00 42.44 H new ATOM 0 HG22 THR A 90 -16.264 3.422 -11.395 1.00 42.44 H new ATOM 0 HG23 THR A 90 -16.402 5.076 -10.752 1.00 42.44 H new ATOM 1420 N ALA A 91 -13.534 2.600 -12.383 1.00 5.12 N ATOM 1421 CA ALA A 91 -13.224 1.303 -11.794 1.00 41.51 C ATOM 1422 C ALA A 91 -12.208 1.442 -10.665 1.00 64.24 C ATOM 1423 O ALA A 91 -12.272 0.724 -9.666 1.00 14.30 O ATOM 1424 CB ALA A 91 -12.704 0.350 -12.860 1.00 24.24 C ATOM 0 H ALA A 91 -13.451 2.633 -13.399 1.00 5.12 H new ATOM 0 HA ALA A 91 -14.142 0.894 -11.373 1.00 41.51 H new ATOM 0 HB1 ALA A 91 -12.477 -0.615 -12.406 1.00 24.24 H new ATOM 0 HB2 ALA A 91 -13.463 0.218 -13.631 1.00 24.24 H new ATOM 0 HB3 ALA A 91 -11.800 0.763 -13.307 1.00 24.24 H new ATOM 1430 N LEU A 92 -11.269 2.368 -10.830 1.00 75.40 N ATOM 1431 CA LEU A 92 -10.238 2.601 -9.825 1.00 75.32 C ATOM 1432 C LEU A 92 -10.847 3.147 -8.537 1.00 40.33 C ATOM 1433 O LEU A 92 -10.376 2.849 -7.440 1.00 43.01 O ATOM 1434 CB LEU A 92 -9.188 3.575 -10.360 1.00 1.34 C ATOM 1435 CG LEU A 92 -9.521 5.062 -10.227 1.00 24.31 C ATOM 1436 CD1 LEU A 92 -9.015 5.605 -8.900 1.00 3.44 C ATOM 1437 CD2 LEU A 92 -8.929 5.847 -11.388 1.00 60.22 C ATOM 0 H LEU A 92 -11.201 2.970 -11.651 1.00 75.40 H new ATOM 0 HA LEU A 92 -9.759 1.647 -9.603 1.00 75.32 H new ATOM 0 HB2 LEU A 92 -8.248 3.386 -9.841 1.00 1.34 H new ATOM 0 HB3 LEU A 92 -9.020 3.354 -11.414 1.00 1.34 H new ATOM 0 HG LEU A 92 -10.605 5.176 -10.253 1.00 24.31 H new ATOM 0 HD11 LEU A 92 -9.261 6.664 -8.823 1.00 3.44 H new ATOM 0 HD12 LEU A 92 -9.487 5.062 -8.081 1.00 3.44 H new ATOM 0 HD13 LEU A 92 -7.934 5.478 -8.844 1.00 3.44 H new ATOM 0 HD21 LEU A 92 -9.176 6.903 -11.277 1.00 60.22 H new ATOM 0 HD22 LEU A 92 -7.846 5.726 -11.394 1.00 60.22 H new ATOM 0 HD23 LEU A 92 -9.341 5.475 -12.326 1.00 60.22 H new ATOM 1449 N VAL A 93 -11.898 3.948 -8.679 1.00 1.32 N ATOM 1450 CA VAL A 93 -12.574 4.534 -7.528 1.00 12.32 C ATOM 1451 C VAL A 93 -13.234 3.458 -6.672 1.00 10.22 C ATOM 1452 O VAL A 93 -13.064 3.429 -5.453 1.00 45.32 O ATOM 1453 CB VAL A 93 -13.642 5.556 -7.963 1.00 65.12 C ATOM 1454 CG1 VAL A 93 -14.568 5.887 -6.803 1.00 71.54 C ATOM 1455 CG2 VAL A 93 -12.983 6.815 -8.506 1.00 72.32 C ATOM 0 H VAL A 93 -12.300 4.206 -9.580 1.00 1.32 H new ATOM 0 HA VAL A 93 -11.812 5.045 -6.940 1.00 12.32 H new ATOM 0 HB VAL A 93 -14.241 5.114 -8.759 1.00 65.12 H new ATOM 0 HG11 VAL A 93 -15.316 6.610 -7.129 1.00 71.54 H new ATOM 0 HG12 VAL A 93 -15.066 4.978 -6.464 1.00 71.54 H new ATOM 0 HG13 VAL A 93 -13.987 6.310 -5.983 1.00 71.54 H new ATOM 0 HG21 VAL A 93 -13.751 7.526 -8.809 1.00 72.32 H new ATOM 0 HG22 VAL A 93 -12.359 7.262 -7.732 1.00 72.32 H new ATOM 0 HG23 VAL A 93 -12.365 6.560 -9.367 1.00 72.32 H new ATOM 1465 N ASP A 94 -13.987 2.576 -7.318 1.00 55.03 N ATOM 1466 CA ASP A 94 -14.673 1.497 -6.617 1.00 65.23 C ATOM 1467 C ASP A 94 -13.689 0.405 -6.205 1.00 51.14 C ATOM 1468 O ASP A 94 -13.889 -0.277 -5.202 1.00 13.05 O ATOM 1469 CB ASP A 94 -15.772 0.904 -7.500 1.00 33.43 C ATOM 1470 CG ASP A 94 -16.754 0.058 -6.713 1.00 3.31 C ATOM 1471 OD1 ASP A 94 -17.064 -1.066 -7.162 1.00 4.43 O ATOM 1472 OD2 ASP A 94 -17.212 0.519 -5.647 1.00 1.34 O ATOM 0 H ASP A 94 -14.138 2.587 -8.327 1.00 55.03 H new ATOM 0 HA ASP A 94 -15.126 1.912 -5.717 1.00 65.23 H new ATOM 0 HB2 ASP A 94 -16.310 1.711 -7.997 1.00 33.43 H new ATOM 0 HB3 ASP A 94 -15.317 0.295 -8.281 1.00 33.43 H new ATOM 1478 N ALA A 95 -12.628 0.246 -6.989 1.00 42.14 N ATOM 1479 CA ALA A 95 -11.613 -0.760 -6.706 1.00 72.44 C ATOM 1480 C ALA A 95 -10.754 -0.354 -5.514 1.00 23.02 C ATOM 1481 O ALA A 95 -10.660 -1.083 -4.527 1.00 21.24 O ATOM 1482 CB ALA A 95 -10.743 -0.994 -7.932 1.00 14.50 C ATOM 0 H ALA A 95 -12.449 0.802 -7.826 1.00 42.14 H new ATOM 0 HA ALA A 95 -12.121 -1.691 -6.453 1.00 72.44 H new ATOM 0 HB1 ALA A 95 -9.989 -1.748 -7.705 1.00 14.50 H new ATOM 0 HB2 ALA A 95 -11.364 -1.339 -8.758 1.00 14.50 H new ATOM 0 HB3 ALA A 95 -10.251 -0.063 -8.212 1.00 14.50 H new ATOM 1488 N ILE A 96 -10.126 0.814 -5.614 1.00 33.12 N ATOM 1489 CA ILE A 96 -9.275 1.317 -4.543 1.00 52.22 C ATOM 1490 C ILE A 96 -10.057 1.467 -3.243 1.00 24.30 C ATOM 1491 O ILE A 96 -9.525 1.237 -2.157 1.00 33.14 O ATOM 1492 CB ILE A 96 -8.650 2.676 -4.913 1.00 70.54 C ATOM 1493 CG1 ILE A 96 -7.731 2.525 -6.126 1.00 51.15 C ATOM 1494 CG2 ILE A 96 -7.884 3.245 -3.728 1.00 4.41 C ATOM 1495 CD1 ILE A 96 -6.535 1.635 -5.872 1.00 44.12 C ATOM 0 H ILE A 96 -10.191 1.429 -6.425 1.00 33.12 H new ATOM 0 HA ILE A 96 -8.479 0.586 -4.402 1.00 52.22 H new ATOM 0 HB ILE A 96 -9.450 3.370 -5.171 1.00 70.54 H new ATOM 0 HG12 ILE A 96 -8.306 2.119 -6.958 1.00 51.15 H new ATOM 0 HG13 ILE A 96 -7.381 3.511 -6.431 1.00 51.15 H new ATOM 0 HG21 ILE A 96 -7.448 4.205 -4.004 1.00 4.41 H new ATOM 0 HG22 ILE A 96 -8.564 3.383 -2.888 1.00 4.41 H new ATOM 0 HG23 ILE A 96 -7.090 2.555 -3.442 1.00 4.41 H new ATOM 0 HD11 ILE A 96 -5.928 1.574 -6.776 1.00 44.12 H new ATOM 0 HD12 ILE A 96 -5.937 2.051 -5.061 1.00 44.12 H new ATOM 0 HD13 ILE A 96 -6.876 0.637 -5.596 1.00 44.12 H new ATOM 1507 N TYR A 97 -11.323 1.851 -3.361 1.00 44.20 N ATOM 1508 CA TYR A 97 -12.179 2.031 -2.195 1.00 55.54 C ATOM 1509 C TYR A 97 -12.315 0.729 -1.412 1.00 73.20 C ATOM 1510 O TYR A 97 -12.406 0.737 -0.185 1.00 35.45 O ATOM 1511 CB TYR A 97 -13.561 2.529 -2.623 1.00 4.55 C ATOM 1512 CG TYR A 97 -13.709 4.032 -2.562 1.00 2.14 C ATOM 1513 CD1 TYR A 97 -12.681 4.868 -2.981 1.00 12.34 C ATOM 1514 CD2 TYR A 97 -14.875 4.618 -2.084 1.00 63.54 C ATOM 1515 CE1 TYR A 97 -12.811 6.244 -2.926 1.00 65.45 C ATOM 1516 CE2 TYR A 97 -15.015 5.990 -2.028 1.00 10.13 C ATOM 1517 CZ TYR A 97 -13.980 6.799 -2.450 1.00 11.31 C ATOM 1518 OH TYR A 97 -14.114 8.167 -2.394 1.00 33.43 O ATOM 0 H TYR A 97 -11.779 2.044 -4.253 1.00 44.20 H new ATOM 0 HA TYR A 97 -11.716 2.776 -1.548 1.00 55.54 H new ATOM 0 HB2 TYR A 97 -13.759 2.194 -3.641 1.00 4.55 H new ATOM 0 HB3 TYR A 97 -14.317 2.072 -1.984 1.00 4.55 H new ATOM 0 HD1 TYR A 97 -11.765 4.436 -3.356 1.00 12.34 H new ATOM 0 HD2 TYR A 97 -15.686 3.988 -1.750 1.00 63.54 H new ATOM 0 HE1 TYR A 97 -12.002 6.880 -3.254 1.00 65.45 H new ATOM 0 HE2 TYR A 97 -15.929 6.428 -1.656 1.00 10.13 H new ATOM 0 HH TYR A 97 -14.997 8.395 -2.036 1.00 33.43 H new ATOM 1528 N SER A 98 -12.327 -0.388 -2.131 1.00 42.43 N ATOM 1529 CA SER A 98 -12.454 -1.699 -1.506 1.00 72.11 C ATOM 1530 C SER A 98 -11.138 -2.125 -0.864 1.00 41.35 C ATOM 1531 O SER A 98 -11.088 -2.445 0.323 1.00 1.33 O ATOM 1532 CB SER A 98 -12.891 -2.739 -2.539 1.00 33.30 C ATOM 1533 OG SER A 98 -12.637 -4.055 -2.076 1.00 52.53 O ATOM 0 H SER A 98 -12.250 -0.412 -3.148 1.00 42.43 H new ATOM 0 HA SER A 98 -13.212 -1.630 -0.726 1.00 72.11 H new ATOM 0 HB2 SER A 98 -13.954 -2.623 -2.749 1.00 33.30 H new ATOM 0 HB3 SER A 98 -12.360 -2.571 -3.476 1.00 33.30 H new ATOM 0 HG SER A 98 -12.926 -4.702 -2.753 1.00 52.53 H new ATOM 1539 N VAL A 99 -10.072 -2.127 -1.660 1.00 33.43 N ATOM 1540 CA VAL A 99 -8.754 -2.512 -1.170 1.00 64.33 C ATOM 1541 C VAL A 99 -8.312 -1.617 -0.020 1.00 5.22 C ATOM 1542 O VAL A 99 -7.952 -2.099 1.054 1.00 61.45 O ATOM 1543 CB VAL A 99 -7.699 -2.450 -2.291 1.00 42.13 C ATOM 1544 CG1 VAL A 99 -6.380 -3.039 -1.815 1.00 42.33 C ATOM 1545 CG2 VAL A 99 -8.198 -3.173 -3.533 1.00 22.23 C ATOM 0 H VAL A 99 -10.096 -1.866 -2.646 1.00 33.43 H new ATOM 0 HA VAL A 99 -8.836 -3.539 -0.815 1.00 64.33 H new ATOM 0 HB VAL A 99 -7.530 -1.405 -2.551 1.00 42.13 H new ATOM 0 HG11 VAL A 99 -5.647 -2.987 -2.620 1.00 42.33 H new ATOM 0 HG12 VAL A 99 -6.018 -2.473 -0.957 1.00 42.33 H new ATOM 0 HG13 VAL A 99 -6.529 -4.080 -1.527 1.00 42.33 H new ATOM 0 HG21 VAL A 99 -7.440 -3.119 -4.315 1.00 22.23 H new ATOM 0 HG22 VAL A 99 -8.396 -4.217 -3.291 1.00 22.23 H new ATOM 0 HG23 VAL A 99 -9.116 -2.701 -3.884 1.00 22.23 H new ATOM 1555 N GLU A 100 -8.340 -0.308 -0.251 1.00 45.32 N ATOM 1556 CA GLU A 100 -7.940 0.656 0.767 1.00 55.31 C ATOM 1557 C GLU A 100 -8.659 0.386 2.085 1.00 75.53 C ATOM 1558 O GLU A 100 -8.122 0.642 3.162 1.00 20.31 O ATOM 1559 CB GLU A 100 -8.237 2.082 0.296 1.00 21.21 C ATOM 1560 CG GLU A 100 -9.693 2.484 0.450 1.00 73.54 C ATOM 1561 CD GLU A 100 -9.985 3.856 -0.126 1.00 3.34 C ATOM 1562 OE1 GLU A 100 -11.098 4.372 0.107 1.00 2.24 O ATOM 1563 OE2 GLU A 100 -9.100 4.413 -0.808 1.00 34.11 O ATOM 0 H GLU A 100 -8.635 0.109 -1.134 1.00 45.32 H new ATOM 0 HA GLU A 100 -6.867 0.549 0.929 1.00 55.31 H new ATOM 0 HB2 GLU A 100 -7.615 2.778 0.859 1.00 21.21 H new ATOM 0 HB3 GLU A 100 -7.952 2.176 -0.752 1.00 21.21 H new ATOM 0 HG2 GLU A 100 -10.324 1.745 -0.044 1.00 73.54 H new ATOM 0 HG3 GLU A 100 -9.959 2.474 1.507 1.00 73.54 H new ATOM 1571 N ASP A 101 -9.879 -0.134 1.991 1.00 61.23 N ATOM 1572 CA ASP A 101 -10.673 -0.441 3.175 1.00 11.02 C ATOM 1573 C ASP A 101 -9.938 -1.424 4.082 1.00 14.31 C ATOM 1574 O ASP A 101 -9.808 -1.193 5.283 1.00 23.53 O ATOM 1575 CB ASP A 101 -12.030 -1.018 2.769 1.00 34.23 C ATOM 1576 CG ASP A 101 -13.048 -0.947 3.890 1.00 74.41 C ATOM 1577 OD1 ASP A 101 -12.731 -0.355 4.943 1.00 14.55 O ATOM 1578 OD2 ASP A 101 -14.162 -1.482 3.715 1.00 61.52 O ATOM 0 H ASP A 101 -10.339 -0.351 1.107 1.00 61.23 H new ATOM 0 HA ASP A 101 -10.832 0.485 3.727 1.00 11.02 H new ATOM 0 HB2 ASP A 101 -12.408 -0.474 1.903 1.00 34.23 H new ATOM 0 HB3 ASP A 101 -11.903 -2.056 2.463 1.00 34.23 H new ATOM 1584 N GLU A 102 -9.463 -2.518 3.498 1.00 61.34 N ATOM 1585 CA GLU A 102 -8.744 -3.536 4.255 1.00 61.30 C ATOM 1586 C GLU A 102 -7.432 -3.902 3.565 1.00 32.14 C ATOM 1587 O GLU A 102 -7.416 -4.268 2.392 1.00 54.35 O ATOM 1588 CB GLU A 102 -9.610 -4.786 4.422 1.00 21.01 C ATOM 1589 CG GLU A 102 -10.299 -5.226 3.140 1.00 22.13 C ATOM 1590 CD GLU A 102 -10.802 -6.655 3.209 1.00 54.40 C ATOM 1591 OE1 GLU A 102 -11.385 -7.027 4.249 1.00 72.31 O ATOM 1592 OE2 GLU A 102 -10.614 -7.398 2.224 1.00 20.55 O ATOM 0 H GLU A 102 -9.563 -2.723 2.504 1.00 61.34 H new ATOM 0 HA GLU A 102 -8.516 -3.126 5.239 1.00 61.30 H new ATOM 0 HB2 GLU A 102 -8.988 -5.602 4.789 1.00 21.01 H new ATOM 0 HB3 GLU A 102 -10.366 -4.595 5.184 1.00 21.01 H new ATOM 0 HG2 GLU A 102 -11.137 -4.559 2.935 1.00 22.13 H new ATOM 0 HG3 GLU A 102 -9.603 -5.129 2.306 1.00 22.13 H new ATOM 1600 N ASN A 103 -6.333 -3.798 4.306 1.00 71.02 N ATOM 1601 CA ASN A 103 -5.016 -4.117 3.767 1.00 51.41 C ATOM 1602 C ASN A 103 -4.373 -5.264 4.541 1.00 53.42 C ATOM 1603 O ASN A 103 -3.739 -6.143 3.957 1.00 52.01 O ATOM 1604 CB ASN A 103 -4.111 -2.884 3.815 1.00 1.02 C ATOM 1605 CG ASN A 103 -4.388 -1.918 2.679 1.00 0.42 C ATOM 1606 OD1 ASN A 103 -5.621 -1.430 2.606 1.00 2.33 O flip ATOM 1607 ND2 ASN A 103 -3.504 -1.613 1.879 1.00 1.30 N flip ATOM 0 H ASN A 103 -6.329 -3.496 5.280 1.00 71.02 H new ATOM 0 HA ASN A 103 -5.141 -4.428 2.730 1.00 51.41 H new ATOM 0 HB2 ASN A 103 -4.251 -2.371 4.767 1.00 1.02 H new ATOM 0 HB3 ASN A 103 -3.069 -3.200 3.773 1.00 1.02 H new ATOM 0 HD21 ASN A 103 -2.570 -2.013 1.974 1.00 1.30 H new ATOM 0 HD22 ASN A 103 -3.705 -0.960 1.121 1.00 1.30 H new ATOM 1614 N LYS A 104 -4.543 -5.249 5.859 1.00 44.33 N ATOM 1615 CA LYS A 104 -3.982 -6.287 6.714 1.00 23.43 C ATOM 1616 C LYS A 104 -5.089 -7.096 7.385 1.00 45.44 C ATOM 1617 O LYS A 104 -4.866 -8.225 7.820 1.00 33.21 O ATOM 1618 CB LYS A 104 -3.074 -5.666 7.777 1.00 3.32 C ATOM 1619 CG LYS A 104 -3.825 -4.871 8.830 1.00 0.51 C ATOM 1620 CD LYS A 104 -4.095 -5.704 10.072 1.00 10.44 C ATOM 1621 CE LYS A 104 -3.718 -4.952 11.340 1.00 2.11 C ATOM 1622 NZ LYS A 104 -4.337 -3.599 11.387 1.00 54.53 N ATOM 0 H LYS A 104 -5.065 -4.529 6.358 1.00 44.33 H new ATOM 0 HA LYS A 104 -3.393 -6.958 6.089 1.00 23.43 H new ATOM 0 HB2 LYS A 104 -2.508 -6.458 8.267 1.00 3.32 H new ATOM 0 HB3 LYS A 104 -2.351 -5.013 7.288 1.00 3.32 H new ATOM 0 HG2 LYS A 104 -3.246 -3.988 9.102 1.00 0.51 H new ATOM 0 HG3 LYS A 104 -4.769 -4.518 8.416 1.00 0.51 H new ATOM 0 HD2 LYS A 104 -5.150 -5.974 10.108 1.00 10.44 H new ATOM 0 HD3 LYS A 104 -3.530 -6.634 10.018 1.00 10.44 H new ATOM 0 HE2 LYS A 104 -4.034 -5.527 12.211 1.00 2.11 H new ATOM 0 HE3 LYS A 104 -2.634 -4.857 11.397 1.00 2.11 H new ATOM 0 HZ1 LYS A 104 -4.350 -3.257 12.369 1.00 54.53 H new ATOM 0 HZ2 LYS A 104 -3.784 -2.943 10.799 1.00 54.53 H new ATOM 0 HZ3 LYS A 104 -5.311 -3.650 11.026 1.00 54.53 H new ATOM 1636 N GLN A 105 -6.278 -6.509 7.463 1.00 12.04 N ATOM 1637 CA GLN A 105 -7.419 -7.176 8.081 1.00 63.05 C ATOM 1638 C GLN A 105 -7.623 -8.566 7.487 1.00 1.10 C ATOM 1639 O GLN A 105 -8.096 -8.707 6.360 1.00 61.14 O ATOM 1640 CB GLN A 105 -8.686 -6.339 7.898 1.00 74.42 C ATOM 1641 CG GLN A 105 -8.552 -4.913 8.407 1.00 32.12 C ATOM 1642 CD GLN A 105 -8.291 -4.848 9.899 1.00 74.55 C ATOM 1643 OE1 GLN A 105 -7.080 -4.452 10.272 1.00 20.11 O flip ATOM 1644 NE2 GLN A 105 -9.168 -5.152 10.708 1.00 64.23 N flip ATOM 0 H GLN A 105 -6.477 -5.574 7.107 1.00 12.04 H new ATOM 0 HA GLN A 105 -7.213 -7.282 9.146 1.00 63.05 H new ATOM 0 HB2 GLN A 105 -8.946 -6.315 6.840 1.00 74.42 H new ATOM 0 HB3 GLN A 105 -9.511 -6.826 8.418 1.00 74.42 H new ATOM 0 HG2 GLN A 105 -7.738 -4.417 7.878 1.00 32.12 H new ATOM 0 HG3 GLN A 105 -9.464 -4.362 8.177 1.00 32.12 H new ATOM 0 HE21 GLN A 105 -10.085 -5.451 10.377 1.00 64.23 H new ATOM 0 HE22 GLN A 105 -8.977 -5.105 11.709 1.00 64.23 H new ATOM 1653 N SER A 106 -7.262 -9.591 8.254 1.00 52.24 N ATOM 1654 CA SER A 106 -7.402 -10.969 7.802 1.00 31.44 C ATOM 1655 C SER A 106 -7.045 -11.946 8.919 1.00 23.10 C ATOM 1656 O SER A 106 -6.772 -11.540 10.048 1.00 31.03 O ATOM 1657 CB SER A 106 -6.512 -11.223 6.584 1.00 14.23 C ATOM 1658 OG SER A 106 -5.184 -10.792 6.825 1.00 1.14 O ATOM 0 H SER A 106 -6.871 -9.492 9.191 1.00 52.24 H new ATOM 0 HA SER A 106 -8.443 -11.128 7.521 1.00 31.44 H new ATOM 0 HB2 SER A 106 -6.515 -12.286 6.343 1.00 14.23 H new ATOM 0 HB3 SER A 106 -6.917 -10.699 5.718 1.00 14.23 H new ATOM 0 HG SER A 106 -5.184 -9.834 7.033 1.00 1.14 H new ATOM 1664 N GLU A 107 -7.049 -13.234 8.594 1.00 24.42 N ATOM 1665 CA GLU A 107 -6.725 -14.270 9.570 1.00 53.43 C ATOM 1666 C GLU A 107 -5.410 -14.958 9.217 1.00 50.02 C ATOM 1667 O GLU A 107 -4.673 -15.400 10.097 1.00 22.45 O ATOM 1668 CB GLU A 107 -7.852 -15.303 9.642 1.00 25.01 C ATOM 1669 CG GLU A 107 -7.669 -16.326 10.750 1.00 2.14 C ATOM 1670 CD GLU A 107 -8.492 -17.580 10.529 1.00 2.44 C ATOM 1671 OE1 GLU A 107 -9.584 -17.474 9.932 1.00 60.03 O ATOM 1672 OE2 GLU A 107 -8.045 -18.666 10.952 1.00 4.00 O ATOM 0 H GLU A 107 -7.273 -13.586 7.663 1.00 24.42 H new ATOM 0 HA GLU A 107 -6.615 -13.794 10.545 1.00 53.43 H new ATOM 0 HB2 GLU A 107 -8.800 -14.785 9.790 1.00 25.01 H new ATOM 0 HB3 GLU A 107 -7.919 -15.823 8.686 1.00 25.01 H new ATOM 0 HG2 GLU A 107 -6.615 -16.595 10.820 1.00 2.14 H new ATOM 0 HG3 GLU A 107 -7.947 -15.877 11.703 1.00 2.14 H new ATOM 1680 N GLY A 108 -5.122 -15.045 7.922 1.00 32.01 N ATOM 1681 CA GLY A 108 -3.897 -15.681 7.475 1.00 70.14 C ATOM 1682 C GLY A 108 -2.918 -14.693 6.872 1.00 71.23 C ATOM 1683 O GLY A 108 -2.985 -13.495 7.148 1.00 64.10 O ATOM 0 H GLY A 108 -5.716 -14.686 7.174 1.00 32.01 H new ATOM 0 HA2 GLY A 108 -3.425 -16.187 8.317 1.00 70.14 H new ATOM 0 HA3 GLY A 108 -4.137 -16.447 6.737 1.00 70.14 H new ATOM 1687 N SER A 109 -2.004 -15.196 6.048 1.00 22.32 N ATOM 1688 CA SER A 109 -1.003 -14.351 5.409 1.00 42.30 C ATOM 1689 C SER A 109 -1.485 -13.878 4.041 1.00 10.53 C ATOM 1690 O SER A 109 -0.960 -14.295 3.009 1.00 35.03 O ATOM 1691 CB SER A 109 0.318 -15.109 5.263 1.00 21.21 C ATOM 1692 OG SER A 109 1.408 -14.213 5.138 1.00 25.23 O ATOM 0 H SER A 109 -1.936 -16.185 5.808 1.00 22.32 H new ATOM 0 HA SER A 109 -0.844 -13.477 6.041 1.00 42.30 H new ATOM 0 HB2 SER A 109 0.470 -15.752 6.130 1.00 21.21 H new ATOM 0 HB3 SER A 109 0.274 -15.758 4.388 1.00 21.21 H new ATOM 0 HG SER A 109 2.241 -14.722 5.048 1.00 25.23 H new TER 1698 SER A 109