USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 724 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 23 SER OG : rot 170:sc= -0.145 USER MOD Set 1.2: A 48 THR OG1 : rot 124:sc= 0.0143 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -101:sc= 0.0683 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= -0.103 USER MOD Single : A 8 LYS NZ :NH3+ -109:sc= 1.22 (180deg=0.358) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.632 X(o=-0.63,f=-0.37) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 26 SER OG : rot -75:sc= 0.897 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc=-0.00323 X(o=-0.0032,f=-0.0032) USER MOD Single : A 34 GLN : amide:sc= -0.154 K(o=-0.15,f=-3.9!) USER MOD Single : A 35 LYS NZ :NH3+ -142:sc= 0.989 (180deg=0.104) USER MOD Single : A 36 GLN : amide:sc=-0.000786 X(o=-0.00079,f=0.36) USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.143 K(o=-0.14,f=-2.5!) USER MOD Single : A 51 LYS NZ :NH3+ 141:sc= -0.599 (180deg=-2.63!) USER MOD Single : A 52 LYS NZ :NH3+ -109:sc= -0.285 (180deg=-3.53!) USER MOD Single : A 54 ASN : amide:sc= -0.501 K(o=-0.5,f=-2.7!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 64 ASN : amide:sc=-0.000925 X(o=-0.00092,f=0) USER MOD Single : A 65 THR OG1 : rot -1:sc= 0.934 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -177:sc= 0.192 (180deg=0.188) USER MOD Single : A 72 THR OG1 : rot 120:sc= -0.17 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -141:sc= 0.243 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HE2:sc= 0.238 K(o=0.24,f=-1.2) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.0431 X(o=-0.043,f=-0.043) USER MOD Single : A 85 HIS : no HD1:sc= -0.02 X(o=-0.02,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.588 -10.941 3.618 1.00 45.23 N ATOM 2 CA MET A 1 -20.630 -9.717 2.782 1.00 54.45 C ATOM 3 C MET A 1 -19.527 -8.733 3.225 1.00 0.02 C ATOM 4 O MET A 1 -19.173 -8.713 4.405 1.00 33.12 O ATOM 5 CB MET A 1 -22.034 -9.051 2.851 1.00 13.31 C ATOM 6 CG MET A 1 -23.174 -9.843 2.191 1.00 50.01 C ATOM 7 SD MET A 1 -24.699 -8.880 2.077 1.00 34.33 S ATOM 8 CE MET A 1 -25.773 -9.989 1.165 1.00 74.43 C ATOM 0 H1 MET A 1 -20.111 -11.703 3.095 1.00 45.23 H new ATOM 0 H2 MET A 1 -20.066 -10.744 4.496 1.00 45.23 H new ATOM 0 H3 MET A 1 -21.558 -11.236 3.851 1.00 45.23 H new ATOM 0 HA MET A 1 -20.445 -9.996 1.745 1.00 54.45 H new ATOM 0 HB2 MET A 1 -22.288 -8.886 3.898 1.00 13.31 H new ATOM 0 HB3 MET A 1 -21.975 -8.070 2.379 1.00 13.31 H new ATOM 0 HG2 MET A 1 -22.867 -10.154 1.192 1.00 50.01 H new ATOM 0 HG3 MET A 1 -23.362 -10.751 2.764 1.00 50.01 H new ATOM 0 HE1 MET A 1 -26.747 -9.519 1.025 1.00 74.43 H new ATOM 0 HE2 MET A 1 -25.331 -10.205 0.192 1.00 74.43 H new ATOM 0 HE3 MET A 1 -25.895 -10.918 1.723 1.00 74.43 H new ATOM 20 N PRO A 2 -18.953 -7.903 2.281 1.00 60.24 N ATOM 21 CA PRO A 2 -17.840 -6.971 2.597 1.00 74.44 C ATOM 22 C PRO A 2 -18.274 -5.814 3.536 1.00 30.44 C ATOM 23 O PRO A 2 -19.112 -4.984 3.173 1.00 55.04 O ATOM 24 CB PRO A 2 -17.394 -6.459 1.197 1.00 0.15 C ATOM 25 CG PRO A 2 -18.606 -6.598 0.329 1.00 23.34 C ATOM 26 CD PRO A 2 -19.330 -7.824 0.838 1.00 14.31 C ATOM 0 HA PRO A 2 -17.034 -7.456 3.148 1.00 74.44 H new ATOM 0 HB2 PRO A 2 -17.059 -5.423 1.244 1.00 0.15 H new ATOM 0 HB3 PRO A 2 -16.561 -7.046 0.809 1.00 0.15 H new ATOM 0 HG2 PRO A 2 -19.239 -5.713 0.395 1.00 23.34 H new ATOM 0 HG3 PRO A 2 -18.327 -6.714 -0.718 1.00 23.34 H new ATOM 0 HD2 PRO A 2 -20.409 -7.729 0.713 1.00 14.31 H new ATOM 0 HD3 PRO A 2 -19.024 -8.720 0.297 1.00 14.31 H new ATOM 34 N SER A 3 -17.717 -5.808 4.763 1.00 34.04 N ATOM 35 CA SER A 3 -17.949 -4.741 5.760 1.00 43.21 C ATOM 36 C SER A 3 -17.046 -3.511 5.485 1.00 61.32 C ATOM 37 O SER A 3 -16.236 -3.518 4.542 1.00 53.01 O ATOM 38 CB SER A 3 -17.696 -5.309 7.182 1.00 21.24 C ATOM 39 OG SER A 3 -18.039 -4.376 8.198 1.00 24.03 O ATOM 0 H SER A 3 -17.092 -6.544 5.093 1.00 34.04 H new ATOM 0 HA SER A 3 -18.983 -4.404 5.686 1.00 43.21 H new ATOM 0 HB2 SER A 3 -18.277 -6.221 7.317 1.00 21.24 H new ATOM 0 HB3 SER A 3 -16.646 -5.583 7.281 1.00 21.24 H new ATOM 0 HG SER A 3 -17.867 -4.772 9.078 1.00 24.03 H new ATOM 45 N GLU A 4 -17.191 -2.460 6.326 1.00 53.41 N ATOM 46 CA GLU A 4 -16.316 -1.266 6.289 1.00 54.02 C ATOM 47 C GLU A 4 -14.840 -1.638 6.560 1.00 54.22 C ATOM 48 O GLU A 4 -13.929 -0.918 6.141 1.00 72.32 O ATOM 49 CB GLU A 4 -16.806 -0.196 7.304 1.00 4.13 C ATOM 50 CG GLU A 4 -16.826 -0.658 8.775 1.00 23.33 C ATOM 51 CD GLU A 4 -17.420 0.392 9.730 1.00 25.02 C ATOM 52 OE1 GLU A 4 -16.654 1.198 10.298 1.00 21.41 O ATOM 53 OE2 GLU A 4 -18.659 0.431 9.896 1.00 53.51 O ATOM 0 H GLU A 4 -17.913 -2.416 7.045 1.00 53.41 H new ATOM 0 HA GLU A 4 -16.373 -0.844 5.285 1.00 54.02 H new ATOM 0 HB2 GLU A 4 -16.165 0.682 7.223 1.00 4.13 H new ATOM 0 HB3 GLU A 4 -17.812 0.117 7.023 1.00 4.13 H new ATOM 0 HG2 GLU A 4 -17.404 -1.579 8.852 1.00 23.33 H new ATOM 0 HG3 GLU A 4 -15.809 -0.892 9.090 1.00 23.33 H new ATOM 60 N GLU A 5 -14.628 -2.775 7.256 1.00 61.41 N ATOM 61 CA GLU A 5 -13.289 -3.325 7.509 1.00 61.04 C ATOM 62 C GLU A 5 -12.682 -3.876 6.209 1.00 72.30 C ATOM 63 O GLU A 5 -11.500 -3.632 5.915 1.00 25.44 O ATOM 64 CB GLU A 5 -13.347 -4.432 8.592 1.00 53.44 C ATOM 65 CG GLU A 5 -11.963 -4.939 9.033 1.00 21.53 C ATOM 66 CD GLU A 5 -12.027 -6.007 10.130 1.00 20.41 C ATOM 67 OE1 GLU A 5 -11.828 -7.203 9.822 1.00 60.24 O ATOM 68 OE2 GLU A 5 -12.265 -5.658 11.308 1.00 51.34 O ATOM 0 H GLU A 5 -15.382 -3.333 7.656 1.00 61.41 H new ATOM 0 HA GLU A 5 -12.652 -2.521 7.876 1.00 61.04 H new ATOM 0 HB2 GLU A 5 -13.878 -4.048 9.463 1.00 53.44 H new ATOM 0 HB3 GLU A 5 -13.927 -5.272 8.210 1.00 53.44 H new ATOM 0 HG2 GLU A 5 -11.442 -5.348 8.168 1.00 21.53 H new ATOM 0 HG3 GLU A 5 -11.373 -4.096 9.391 1.00 21.53 H new ATOM 75 N GLU A 6 -13.519 -4.585 5.421 1.00 33.14 N ATOM 76 CA GLU A 6 -13.083 -5.258 4.179 1.00 32.14 C ATOM 77 C GLU A 6 -12.596 -4.277 3.116 1.00 63.11 C ATOM 78 O GLU A 6 -11.849 -4.673 2.217 1.00 54.43 O ATOM 79 CB GLU A 6 -14.193 -6.168 3.609 1.00 3.35 C ATOM 80 CG GLU A 6 -14.621 -7.297 4.555 1.00 51.24 C ATOM 81 CD GLU A 6 -13.453 -8.190 5.008 1.00 34.43 C ATOM 82 OE1 GLU A 6 -13.011 -9.048 4.220 1.00 74.02 O ATOM 83 OE2 GLU A 6 -12.976 -8.038 6.156 1.00 73.33 O ATOM 0 H GLU A 6 -14.511 -4.706 5.627 1.00 33.14 H new ATOM 0 HA GLU A 6 -12.232 -5.881 4.455 1.00 32.14 H new ATOM 0 HB2 GLU A 6 -15.064 -5.557 3.372 1.00 3.35 H new ATOM 0 HB3 GLU A 6 -13.846 -6.605 2.673 1.00 3.35 H new ATOM 0 HG2 GLU A 6 -15.099 -6.863 5.433 1.00 51.24 H new ATOM 0 HG3 GLU A 6 -15.369 -7.914 4.057 1.00 51.24 H new ATOM 90 N GLU A 7 -13.017 -3.012 3.239 1.00 4.13 N ATOM 91 CA GLU A 7 -12.492 -1.914 2.424 1.00 40.11 C ATOM 92 C GLU A 7 -10.963 -1.828 2.604 1.00 3.41 C ATOM 93 O GLU A 7 -10.213 -2.013 1.647 1.00 23.10 O ATOM 94 CB GLU A 7 -13.170 -0.580 2.829 1.00 61.01 C ATOM 95 CG GLU A 7 -14.709 -0.571 2.689 1.00 0.43 C ATOM 96 CD GLU A 7 -15.356 0.750 3.156 1.00 15.15 C ATOM 97 OE1 GLU A 7 -16.354 1.184 2.540 1.00 74.54 O ATOM 98 OE2 GLU A 7 -14.861 1.361 4.140 1.00 12.02 O ATOM 0 H GLU A 7 -13.731 -2.723 3.907 1.00 4.13 H new ATOM 0 HA GLU A 7 -12.712 -2.101 1.373 1.00 40.11 H new ATOM 0 HB2 GLU A 7 -12.911 -0.356 3.864 1.00 61.01 H new ATOM 0 HB3 GLU A 7 -12.758 0.222 2.217 1.00 61.01 H new ATOM 0 HG2 GLU A 7 -14.973 -0.748 1.646 1.00 0.43 H new ATOM 0 HG3 GLU A 7 -15.125 -1.396 3.268 1.00 0.43 H new ATOM 105 N LYS A 8 -10.521 -1.669 3.871 1.00 45.01 N ATOM 106 CA LYS A 8 -9.089 -1.491 4.217 1.00 73.22 C ATOM 107 C LYS A 8 -8.301 -2.795 3.968 1.00 63.43 C ATOM 108 O LYS A 8 -7.123 -2.738 3.617 1.00 73.33 O ATOM 109 CB LYS A 8 -8.891 -1.012 5.695 1.00 21.23 C ATOM 110 CG LYS A 8 -9.463 0.394 6.041 1.00 20.34 C ATOM 111 CD LYS A 8 -10.998 0.408 6.127 1.00 52.23 C ATOM 112 CE LYS A 8 -11.573 1.794 6.436 1.00 11.34 C ATOM 113 NZ LYS A 8 -13.061 1.763 6.469 1.00 54.21 N ATOM 0 H LYS A 8 -11.141 -1.660 4.681 1.00 45.01 H new ATOM 0 HA LYS A 8 -8.699 -0.709 3.565 1.00 73.22 H new ATOM 0 HB2 LYS A 8 -9.354 -1.743 6.358 1.00 21.23 H new ATOM 0 HB3 LYS A 8 -7.824 -1.012 5.916 1.00 21.23 H new ATOM 0 HG2 LYS A 8 -9.047 0.726 6.992 1.00 20.34 H new ATOM 0 HG3 LYS A 8 -9.139 1.109 5.285 1.00 20.34 H new ATOM 0 HD2 LYS A 8 -11.411 0.052 5.183 1.00 52.23 H new ATOM 0 HD3 LYS A 8 -11.319 -0.292 6.899 1.00 52.23 H new ATOM 0 HE2 LYS A 8 -11.192 2.143 7.396 1.00 11.34 H new ATOM 0 HE3 LYS A 8 -11.238 2.506 5.682 1.00 11.34 H new ATOM 0 HZ1 LYS A 8 -13.437 2.260 5.636 1.00 54.21 H new ATOM 0 HZ2 LYS A 8 -13.388 0.776 6.460 1.00 54.21 H new ATOM 0 HZ3 LYS A 8 -13.399 2.232 7.334 1.00 54.21 H new ATOM 127 N ARG A 9 -8.970 -3.957 4.156 1.00 42.41 N ATOM 128 CA ARG A 9 -8.397 -5.296 3.847 1.00 62.20 C ATOM 129 C ARG A 9 -7.930 -5.347 2.379 1.00 31.15 C ATOM 130 O ARG A 9 -6.796 -5.749 2.074 1.00 51.40 O ATOM 131 CB ARG A 9 -9.457 -6.408 4.085 1.00 60.50 C ATOM 132 CG ARG A 9 -9.916 -6.586 5.547 1.00 1.42 C ATOM 133 CD ARG A 9 -8.828 -7.163 6.461 1.00 23.41 C ATOM 134 NE ARG A 9 -9.347 -7.527 7.791 1.00 61.40 N ATOM 135 CZ ARG A 9 -8.750 -8.388 8.633 1.00 14.31 C ATOM 136 NH1 ARG A 9 -7.607 -8.990 8.300 1.00 10.13 N ATOM 137 NH2 ARG A 9 -9.304 -8.643 9.805 1.00 11.21 N ATOM 0 H ARG A 9 -9.920 -3.997 4.525 1.00 42.41 H new ATOM 0 HA ARG A 9 -7.546 -5.464 4.507 1.00 62.20 H new ATOM 0 HB2 ARG A 9 -10.331 -6.189 3.472 1.00 60.50 H new ATOM 0 HB3 ARG A 9 -9.050 -7.356 3.733 1.00 60.50 H new ATOM 0 HG2 ARG A 9 -10.236 -5.621 5.940 1.00 1.42 H new ATOM 0 HG3 ARG A 9 -10.785 -7.243 5.570 1.00 1.42 H new ATOM 0 HD2 ARG A 9 -8.392 -8.044 5.991 1.00 23.41 H new ATOM 0 HD3 ARG A 9 -8.027 -6.432 6.574 1.00 23.41 H new ATOM 0 HE ARG A 9 -10.220 -7.096 8.094 1.00 61.40 H new ATOM 0 HH11 ARG A 9 -7.175 -8.799 7.396 1.00 10.13 H new ATOM 0 HH12 ARG A 9 -7.165 -9.641 8.949 1.00 10.13 H new ATOM 0 HH21 ARG A 9 -10.179 -8.188 10.065 1.00 11.21 H new ATOM 0 HH22 ARG A 9 -8.857 -9.295 10.449 1.00 11.21 H new ATOM 151 N GLN A 10 -8.839 -4.904 1.495 1.00 13.41 N ATOM 152 CA GLN A 10 -8.609 -4.821 0.050 1.00 41.12 C ATOM 153 C GLN A 10 -7.498 -3.810 -0.278 1.00 33.31 C ATOM 154 O GLN A 10 -6.613 -4.119 -1.057 1.00 43.24 O ATOM 155 CB GLN A 10 -9.938 -4.448 -0.675 1.00 70.31 C ATOM 156 CG GLN A 10 -10.994 -5.580 -0.694 1.00 33.01 C ATOM 157 CD GLN A 10 -12.401 -5.109 -1.085 1.00 61.43 C ATOM 158 OE1 GLN A 10 -12.569 -4.150 -1.842 1.00 12.23 O ATOM 159 NE2 GLN A 10 -13.417 -5.780 -0.564 1.00 33.32 N ATOM 0 H GLN A 10 -9.769 -4.589 1.773 1.00 13.41 H new ATOM 0 HA GLN A 10 -8.276 -5.796 -0.307 1.00 41.12 H new ATOM 0 HB2 GLN A 10 -10.370 -3.573 -0.189 1.00 70.31 H new ATOM 0 HB3 GLN A 10 -9.710 -4.163 -1.702 1.00 70.31 H new ATOM 0 HG2 GLN A 10 -10.672 -6.352 -1.393 1.00 33.01 H new ATOM 0 HG3 GLN A 10 -11.037 -6.041 0.293 1.00 33.01 H new ATOM 0 HE21 GLN A 10 -13.242 -6.569 0.059 1.00 33.32 H new ATOM 0 HE22 GLN A 10 -14.375 -5.508 -0.786 1.00 33.32 H new ATOM 168 N VAL A 11 -7.541 -2.621 0.354 1.00 61.10 N ATOM 169 CA VAL A 11 -6.587 -1.516 0.076 1.00 10.22 C ATOM 170 C VAL A 11 -5.127 -1.921 0.391 1.00 73.33 C ATOM 171 O VAL A 11 -4.214 -1.647 -0.403 1.00 34.32 O ATOM 172 CB VAL A 11 -6.960 -0.222 0.889 1.00 24.41 C ATOM 173 CG1 VAL A 11 -5.994 0.938 0.596 1.00 52.22 C ATOM 174 CG2 VAL A 11 -8.392 0.220 0.589 1.00 3.23 C ATOM 0 H VAL A 11 -8.232 -2.395 1.069 1.00 61.10 H new ATOM 0 HA VAL A 11 -6.663 -1.301 -0.990 1.00 10.22 H new ATOM 0 HB VAL A 11 -6.876 -0.480 1.945 1.00 24.41 H new ATOM 0 HG11 VAL A 11 -6.288 1.812 1.178 1.00 52.22 H new ATOM 0 HG12 VAL A 11 -4.980 0.645 0.868 1.00 52.22 H new ATOM 0 HG13 VAL A 11 -6.029 1.181 -0.466 1.00 52.22 H new ATOM 0 HG21 VAL A 11 -8.624 1.116 1.164 1.00 3.23 H new ATOM 0 HG22 VAL A 11 -8.491 0.435 -0.475 1.00 3.23 H new ATOM 0 HG23 VAL A 11 -9.084 -0.576 0.864 1.00 3.23 H new ATOM 184 N LYS A 12 -4.928 -2.578 1.551 1.00 12.23 N ATOM 185 CA LYS A 12 -3.599 -3.069 1.985 1.00 3.41 C ATOM 186 C LYS A 12 -3.098 -4.161 1.029 1.00 5.42 C ATOM 187 O LYS A 12 -1.891 -4.277 0.782 1.00 13.43 O ATOM 188 CB LYS A 12 -3.659 -3.626 3.430 1.00 14.44 C ATOM 189 CG LYS A 12 -4.075 -2.603 4.513 1.00 71.01 C ATOM 190 CD LYS A 12 -4.154 -3.240 5.923 1.00 43.20 C ATOM 191 CE LYS A 12 -5.204 -4.366 6.022 1.00 13.24 C ATOM 192 NZ LYS A 12 -5.128 -5.080 7.329 1.00 3.20 N ATOM 0 H LYS A 12 -5.677 -2.784 2.212 1.00 12.23 H new ATOM 0 HA LYS A 12 -2.906 -2.228 1.966 1.00 3.41 H new ATOM 0 HB2 LYS A 12 -4.361 -4.460 3.452 1.00 14.44 H new ATOM 0 HB3 LYS A 12 -2.679 -4.027 3.689 1.00 14.44 H new ATOM 0 HG2 LYS A 12 -3.359 -1.781 4.528 1.00 71.01 H new ATOM 0 HG3 LYS A 12 -5.044 -2.177 4.254 1.00 71.01 H new ATOM 0 HD2 LYS A 12 -3.176 -3.640 6.190 1.00 43.20 H new ATOM 0 HD3 LYS A 12 -4.391 -2.465 6.652 1.00 43.20 H new ATOM 0 HE2 LYS A 12 -6.201 -3.945 5.895 1.00 13.24 H new ATOM 0 HE3 LYS A 12 -5.052 -5.077 5.210 1.00 13.24 H new ATOM 0 HZ1 LYS A 12 -5.849 -5.829 7.358 1.00 3.20 H new ATOM 0 HZ2 LYS A 12 -4.184 -5.503 7.439 1.00 3.20 H new ATOM 0 HZ3 LYS A 12 -5.298 -4.406 8.103 1.00 3.20 H new ATOM 206 N GLN A 13 -4.052 -4.964 0.506 1.00 61.22 N ATOM 207 CA GLN A 13 -3.768 -5.993 -0.503 1.00 72.12 C ATOM 208 C GLN A 13 -3.279 -5.344 -1.808 1.00 72.34 C ATOM 209 O GLN A 13 -2.219 -5.704 -2.310 1.00 54.44 O ATOM 210 CB GLN A 13 -5.019 -6.881 -0.763 1.00 32.30 C ATOM 211 CG GLN A 13 -4.843 -7.946 -1.872 1.00 4.54 C ATOM 212 CD GLN A 13 -6.105 -8.780 -2.163 1.00 72.50 C ATOM 213 OE1 GLN A 13 -7.293 -8.183 -2.023 1.00 33.11 O flip ATOM 214 NE2 GLN A 13 -6.011 -9.951 -2.535 1.00 71.13 N flip ATOM 0 H GLN A 13 -5.035 -4.912 0.774 1.00 61.22 H new ATOM 0 HA GLN A 13 -2.976 -6.636 -0.119 1.00 72.12 H new ATOM 0 HB2 GLN A 13 -5.288 -7.385 0.165 1.00 32.30 H new ATOM 0 HB3 GLN A 13 -5.856 -6.235 -1.029 1.00 32.30 H new ATOM 0 HG2 GLN A 13 -4.532 -7.448 -2.790 1.00 4.54 H new ATOM 0 HG3 GLN A 13 -4.035 -8.620 -1.586 1.00 4.54 H new ATOM 0 HE21 GLN A 13 -5.092 -10.383 -2.634 1.00 71.13 H new ATOM 0 HE22 GLN A 13 -6.852 -10.489 -2.744 1.00 71.13 H new ATOM 223 N VAL A 14 -4.040 -4.356 -2.325 1.00 64.32 N ATOM 224 CA VAL A 14 -3.704 -3.649 -3.583 1.00 13.24 C ATOM 225 C VAL A 14 -2.293 -3.035 -3.470 1.00 74.12 C ATOM 226 O VAL A 14 -1.445 -3.238 -4.339 1.00 21.13 O ATOM 227 CB VAL A 14 -4.755 -2.512 -3.929 1.00 2.22 C ATOM 228 CG1 VAL A 14 -4.458 -1.838 -5.284 1.00 42.22 C ATOM 229 CG2 VAL A 14 -6.198 -3.041 -3.922 1.00 23.42 C ATOM 0 H VAL A 14 -4.900 -4.026 -1.887 1.00 64.32 H new ATOM 0 HA VAL A 14 -3.733 -4.380 -4.391 1.00 13.24 H new ATOM 0 HB VAL A 14 -4.654 -1.764 -3.143 1.00 2.22 H new ATOM 0 HG11 VAL A 14 -5.204 -1.067 -5.478 1.00 42.22 H new ATOM 0 HG12 VAL A 14 -3.467 -1.386 -5.256 1.00 42.22 H new ATOM 0 HG13 VAL A 14 -4.494 -2.585 -6.077 1.00 42.22 H new ATOM 0 HG21 VAL A 14 -6.884 -2.229 -4.164 1.00 23.42 H new ATOM 0 HG22 VAL A 14 -6.298 -3.834 -4.663 1.00 23.42 H new ATOM 0 HG23 VAL A 14 -6.436 -3.435 -2.934 1.00 23.42 H new ATOM 239 N ALA A 15 -2.057 -2.369 -2.331 1.00 62.41 N ATOM 240 CA ALA A 15 -0.793 -1.695 -2.018 1.00 33.42 C ATOM 241 C ALA A 15 0.406 -2.675 -1.998 1.00 33.21 C ATOM 242 O ALA A 15 1.450 -2.407 -2.615 1.00 31.33 O ATOM 243 CB ALA A 15 -0.940 -0.972 -0.669 1.00 32.42 C ATOM 0 H ALA A 15 -2.752 -2.283 -1.590 1.00 62.41 H new ATOM 0 HA ALA A 15 -0.580 -0.972 -2.805 1.00 33.42 H new ATOM 0 HB1 ALA A 15 -0.006 -0.466 -0.424 1.00 32.42 H new ATOM 0 HB2 ALA A 15 -1.744 -0.239 -0.735 1.00 32.42 H new ATOM 0 HB3 ALA A 15 -1.174 -1.698 0.109 1.00 32.42 H new ATOM 249 N LYS A 16 0.231 -3.825 -1.303 1.00 12.00 N ATOM 250 CA LYS A 16 1.314 -4.820 -1.109 1.00 41.25 C ATOM 251 C LYS A 16 1.637 -5.560 -2.422 1.00 74.45 C ATOM 252 O LYS A 16 2.803 -5.869 -2.688 1.00 31.44 O ATOM 253 CB LYS A 16 0.973 -5.835 0.036 1.00 52.04 C ATOM 254 CG LYS A 16 -0.074 -6.915 -0.305 1.00 3.12 C ATOM 255 CD LYS A 16 -0.353 -7.906 0.854 1.00 74.13 C ATOM 256 CE LYS A 16 0.878 -8.743 1.233 1.00 41.21 C ATOM 257 NZ LYS A 16 0.546 -9.794 2.239 1.00 1.32 N ATOM 0 H LYS A 16 -0.653 -4.087 -0.866 1.00 12.00 H new ATOM 0 HA LYS A 16 2.204 -4.269 -0.805 1.00 41.25 H new ATOM 0 HB2 LYS A 16 1.894 -6.333 0.338 1.00 52.04 H new ATOM 0 HB3 LYS A 16 0.617 -5.272 0.899 1.00 52.04 H new ATOM 0 HG2 LYS A 16 -1.007 -6.427 -0.585 1.00 3.12 H new ATOM 0 HG3 LYS A 16 0.267 -7.476 -1.176 1.00 3.12 H new ATOM 0 HD2 LYS A 16 -0.691 -7.349 1.728 1.00 74.13 H new ATOM 0 HD3 LYS A 16 -1.166 -8.573 0.567 1.00 74.13 H new ATOM 0 HE2 LYS A 16 1.287 -9.213 0.339 1.00 41.21 H new ATOM 0 HE3 LYS A 16 1.653 -8.089 1.633 1.00 41.21 H new ATOM 0 HZ1 LYS A 16 1.402 -10.337 2.469 1.00 1.32 H new ATOM 0 HZ2 LYS A 16 0.179 -9.345 3.102 1.00 1.32 H new ATOM 0 HZ3 LYS A 16 -0.175 -10.433 1.848 1.00 1.32 H new ATOM 271 N GLU A 17 0.595 -5.814 -3.246 1.00 13.21 N ATOM 272 CA GLU A 17 0.744 -6.520 -4.535 1.00 74.22 C ATOM 273 C GLU A 17 1.507 -5.655 -5.553 1.00 51.15 C ATOM 274 O GLU A 17 2.276 -6.180 -6.358 1.00 4.03 O ATOM 275 CB GLU A 17 -0.635 -6.957 -5.106 1.00 44.12 C ATOM 276 CG GLU A 17 -1.416 -7.958 -4.229 1.00 44.35 C ATOM 277 CD GLU A 17 -0.624 -9.224 -3.876 1.00 65.23 C ATOM 278 OE1 GLU A 17 -0.442 -10.083 -4.763 1.00 75.51 O ATOM 279 OE2 GLU A 17 -0.204 -9.378 -2.705 1.00 65.03 O ATOM 0 H GLU A 17 -0.364 -5.537 -3.037 1.00 13.21 H new ATOM 0 HA GLU A 17 1.328 -7.422 -4.349 1.00 74.22 H new ATOM 0 HB2 GLU A 17 -1.249 -6.068 -5.252 1.00 44.12 H new ATOM 0 HB3 GLU A 17 -0.480 -7.402 -6.089 1.00 44.12 H new ATOM 0 HG2 GLU A 17 -1.717 -7.461 -3.307 1.00 44.35 H new ATOM 0 HG3 GLU A 17 -2.330 -8.246 -4.749 1.00 44.35 H new ATOM 286 N LYS A 18 1.293 -4.327 -5.488 1.00 33.31 N ATOM 287 CA LYS A 18 2.013 -3.352 -6.340 1.00 42.32 C ATOM 288 C LYS A 18 3.505 -3.280 -5.960 1.00 52.22 C ATOM 289 O LYS A 18 4.372 -3.084 -6.822 1.00 70.31 O ATOM 290 CB LYS A 18 1.383 -1.946 -6.210 1.00 24.44 C ATOM 291 CG LYS A 18 -0.063 -1.828 -6.697 1.00 25.20 C ATOM 292 CD LYS A 18 -0.226 -2.124 -8.199 1.00 31.00 C ATOM 293 CE LYS A 18 -1.694 -2.051 -8.630 1.00 64.43 C ATOM 294 NZ LYS A 18 -1.849 -2.245 -10.094 1.00 40.40 N ATOM 0 H LYS A 18 0.622 -3.899 -4.850 1.00 33.31 H new ATOM 0 HA LYS A 18 1.928 -3.692 -7.372 1.00 42.32 H new ATOM 0 HB2 LYS A 18 1.422 -1.644 -5.163 1.00 24.44 H new ATOM 0 HB3 LYS A 18 1.996 -1.239 -6.769 1.00 24.44 H new ATOM 0 HG2 LYS A 18 -0.688 -2.517 -6.128 1.00 25.20 H new ATOM 0 HG3 LYS A 18 -0.428 -0.822 -6.490 1.00 25.20 H new ATOM 0 HD2 LYS A 18 0.360 -1.410 -8.777 1.00 31.00 H new ATOM 0 HD3 LYS A 18 0.170 -3.115 -8.421 1.00 31.00 H new ATOM 0 HE2 LYS A 18 -2.267 -2.812 -8.100 1.00 64.43 H new ATOM 0 HE3 LYS A 18 -2.109 -1.084 -8.346 1.00 64.43 H new ATOM 0 HZ1 LYS A 18 -2.856 -2.189 -10.347 1.00 40.40 H new ATOM 0 HZ2 LYS A 18 -1.323 -1.504 -10.600 1.00 40.40 H new ATOM 0 HZ3 LYS A 18 -1.476 -3.178 -10.362 1.00 40.40 H new ATOM 308 N LEU A 19 3.776 -3.422 -4.655 1.00 50.32 N ATOM 309 CA LEU A 19 5.149 -3.495 -4.123 1.00 74.33 C ATOM 310 C LEU A 19 5.851 -4.799 -4.560 1.00 3.01 C ATOM 311 O LEU A 19 7.070 -4.817 -4.770 1.00 65.21 O ATOM 312 CB LEU A 19 5.125 -3.347 -2.577 1.00 31.04 C ATOM 313 CG LEU A 19 4.749 -1.935 -2.030 1.00 42.12 C ATOM 314 CD1 LEU A 19 4.947 -1.859 -0.505 1.00 42.43 C ATOM 315 CD2 LEU A 19 5.552 -0.835 -2.741 1.00 3.34 C ATOM 0 H LEU A 19 3.054 -3.490 -3.938 1.00 50.32 H new ATOM 0 HA LEU A 19 5.729 -2.670 -4.537 1.00 74.33 H new ATOM 0 HB2 LEU A 19 4.417 -4.071 -2.174 1.00 31.04 H new ATOM 0 HB3 LEU A 19 6.109 -3.614 -2.191 1.00 31.04 H new ATOM 0 HG LEU A 19 3.692 -1.770 -2.240 1.00 42.12 H new ATOM 0 HD11 LEU A 19 4.677 -0.864 -0.152 1.00 42.43 H new ATOM 0 HD12 LEU A 19 4.313 -2.601 -0.018 1.00 42.43 H new ATOM 0 HD13 LEU A 19 5.991 -2.059 -0.263 1.00 42.43 H new ATOM 0 HD21 LEU A 19 5.270 0.138 -2.340 1.00 3.34 H new ATOM 0 HD22 LEU A 19 6.617 -0.999 -2.578 1.00 3.34 H new ATOM 0 HD23 LEU A 19 5.340 -0.863 -3.810 1.00 3.34 H new ATOM 327 N LEU A 20 5.051 -5.865 -4.712 1.00 73.40 N ATOM 328 CA LEU A 20 5.508 -7.172 -5.226 1.00 11.21 C ATOM 329 C LEU A 20 5.760 -7.118 -6.742 1.00 12.14 C ATOM 330 O LEU A 20 6.579 -7.887 -7.263 1.00 5.30 O ATOM 331 CB LEU A 20 4.474 -8.268 -4.854 1.00 72.21 C ATOM 332 CG LEU A 20 4.410 -8.610 -3.331 1.00 22.13 C ATOM 333 CD1 LEU A 20 3.201 -9.511 -2.996 1.00 5.41 C ATOM 334 CD2 LEU A 20 5.743 -9.238 -2.863 1.00 20.51 C ATOM 0 H LEU A 20 4.058 -5.847 -4.480 1.00 73.40 H new ATOM 0 HA LEU A 20 6.460 -7.423 -4.759 1.00 11.21 H new ATOM 0 HB2 LEU A 20 3.486 -7.944 -5.182 1.00 72.21 H new ATOM 0 HB3 LEU A 20 4.712 -9.176 -5.408 1.00 72.21 H new ATOM 0 HG LEU A 20 4.265 -7.680 -2.781 1.00 22.13 H new ATOM 0 HD11 LEU A 20 3.192 -9.726 -1.927 1.00 5.41 H new ATOM 0 HD12 LEU A 20 2.279 -8.999 -3.271 1.00 5.41 H new ATOM 0 HD13 LEU A 20 3.278 -10.445 -3.553 1.00 5.41 H new ATOM 0 HD21 LEU A 20 5.682 -9.470 -1.800 1.00 20.51 H new ATOM 0 HD22 LEU A 20 5.931 -10.153 -3.424 1.00 20.51 H new ATOM 0 HD23 LEU A 20 6.557 -8.534 -3.034 1.00 20.51 H new ATOM 346 N GLU A 21 5.067 -6.197 -7.439 1.00 2.35 N ATOM 347 CA GLU A 21 5.310 -5.933 -8.871 1.00 4.42 C ATOM 348 C GLU A 21 6.704 -5.310 -9.070 1.00 21.41 C ATOM 349 O GLU A 21 7.413 -5.651 -10.022 1.00 21.15 O ATOM 350 CB GLU A 21 4.222 -4.996 -9.469 1.00 2.24 C ATOM 351 CG GLU A 21 2.787 -5.554 -9.449 1.00 73.10 C ATOM 352 CD GLU A 21 2.653 -6.928 -10.127 1.00 52.23 C ATOM 353 OE1 GLU A 21 2.258 -7.905 -9.454 1.00 60.32 O ATOM 354 OE2 GLU A 21 2.952 -7.038 -11.334 1.00 70.20 O ATOM 0 H GLU A 21 4.331 -5.621 -7.031 1.00 2.35 H new ATOM 0 HA GLU A 21 5.263 -6.887 -9.397 1.00 4.42 H new ATOM 0 HB2 GLU A 21 4.235 -4.055 -8.920 1.00 2.24 H new ATOM 0 HB3 GLU A 21 4.491 -4.767 -10.500 1.00 2.24 H new ATOM 0 HG2 GLU A 21 2.451 -5.634 -8.415 1.00 73.10 H new ATOM 0 HG3 GLU A 21 2.124 -4.846 -9.946 1.00 73.10 H new ATOM 361 N GLN A 22 7.065 -4.391 -8.158 1.00 32.21 N ATOM 362 CA GLN A 22 8.375 -3.702 -8.174 1.00 72.23 C ATOM 363 C GLN A 22 9.505 -4.651 -7.738 1.00 24.21 C ATOM 364 O GLN A 22 10.602 -4.647 -8.314 1.00 22.42 O ATOM 365 CB GLN A 22 8.349 -2.473 -7.228 1.00 13.13 C ATOM 366 CG GLN A 22 7.273 -1.423 -7.564 1.00 62.53 C ATOM 367 CD GLN A 22 7.278 -0.201 -6.631 1.00 74.13 C ATOM 368 OE1 GLN A 22 6.940 0.901 -7.047 1.00 42.50 O ATOM 369 NE2 GLN A 22 7.626 -0.389 -5.359 1.00 32.04 N ATOM 0 H GLN A 22 6.461 -4.103 -7.389 1.00 32.21 H new ATOM 0 HA GLN A 22 8.564 -3.374 -9.196 1.00 72.23 H new ATOM 0 HB2 GLN A 22 8.191 -2.821 -6.207 1.00 13.13 H new ATOM 0 HB3 GLN A 22 9.327 -1.992 -7.253 1.00 13.13 H new ATOM 0 HG2 GLN A 22 7.418 -1.084 -8.590 1.00 62.53 H new ATOM 0 HG3 GLN A 22 6.292 -1.896 -7.520 1.00 62.53 H new ATOM 0 HE21 GLN A 22 7.903 -1.317 -5.038 1.00 32.04 H new ATOM 0 HE22 GLN A 22 7.615 0.395 -4.706 1.00 32.04 H new ATOM 378 N SER A 23 9.212 -5.457 -6.713 1.00 13.32 N ATOM 379 CA SER A 23 10.181 -6.365 -6.095 1.00 43.50 C ATOM 380 C SER A 23 9.471 -7.683 -5.703 1.00 24.24 C ATOM 381 O SER A 23 8.771 -7.728 -4.690 1.00 63.45 O ATOM 382 CB SER A 23 10.836 -5.691 -4.852 1.00 54.20 C ATOM 383 OG SER A 23 11.902 -6.473 -4.322 1.00 54.51 O ATOM 0 H SER A 23 8.287 -5.497 -6.286 1.00 13.32 H new ATOM 0 HA SER A 23 10.974 -6.592 -6.807 1.00 43.50 H new ATOM 0 HB2 SER A 23 11.212 -4.706 -5.129 1.00 54.20 H new ATOM 0 HB3 SER A 23 10.080 -5.539 -4.082 1.00 54.20 H new ATOM 0 HG SER A 23 12.389 -5.950 -3.651 1.00 54.51 H new ATOM 389 N PRO A 24 9.599 -8.779 -6.532 1.00 2.54 N ATOM 390 CA PRO A 24 9.119 -10.134 -6.149 1.00 74.43 C ATOM 391 C PRO A 24 10.110 -10.854 -5.201 1.00 31.10 C ATOM 392 O PRO A 24 9.847 -11.964 -4.731 1.00 1.14 O ATOM 393 CB PRO A 24 9.015 -10.854 -7.512 1.00 72.44 C ATOM 394 CG PRO A 24 10.082 -10.226 -8.356 1.00 55.41 C ATOM 395 CD PRO A 24 10.177 -8.776 -7.909 1.00 34.12 C ATOM 0 HA PRO A 24 8.180 -10.113 -5.596 1.00 74.43 H new ATOM 0 HB2 PRO A 24 9.174 -11.927 -7.406 1.00 72.44 H new ATOM 0 HB3 PRO A 24 8.029 -10.720 -7.956 1.00 72.44 H new ATOM 0 HG2 PRO A 24 11.035 -10.738 -8.223 1.00 55.41 H new ATOM 0 HG3 PRO A 24 9.830 -10.291 -9.414 1.00 55.41 H new ATOM 0 HD2 PRO A 24 11.210 -8.427 -7.907 1.00 34.12 H new ATOM 0 HD3 PRO A 24 9.619 -8.117 -8.574 1.00 34.12 H new ATOM 403 N ASN A 25 11.251 -10.187 -4.943 1.00 33.00 N ATOM 404 CA ASN A 25 12.339 -10.678 -4.088 1.00 54.43 C ATOM 405 C ASN A 25 12.267 -10.015 -2.699 1.00 74.55 C ATOM 406 O ASN A 25 13.274 -9.962 -1.985 1.00 44.32 O ATOM 407 CB ASN A 25 13.705 -10.380 -4.778 1.00 4.54 C ATOM 408 CG ASN A 25 13.816 -11.006 -6.178 1.00 60.32 C ATOM 409 OD1 ASN A 25 13.445 -10.388 -7.174 1.00 45.12 O ATOM 410 ND2 ASN A 25 14.315 -12.234 -6.261 1.00 41.21 N ATOM 0 H ASN A 25 11.443 -9.266 -5.337 1.00 33.00 H new ATOM 0 HA ASN A 25 12.239 -11.755 -3.949 1.00 54.43 H new ATOM 0 HB2 ASN A 25 13.839 -9.301 -4.856 1.00 4.54 H new ATOM 0 HB3 ASN A 25 14.513 -10.757 -4.151 1.00 4.54 H new ATOM 0 HD21 ASN A 25 14.399 -12.690 -7.170 1.00 41.21 H new ATOM 0 HD22 ASN A 25 14.614 -12.721 -5.416 1.00 41.21 H new ATOM 417 N SER A 26 11.074 -9.500 -2.318 1.00 43.52 N ATOM 418 CA SER A 26 10.890 -8.761 -1.050 1.00 22.43 C ATOM 419 C SER A 26 9.758 -9.346 -0.193 1.00 51.42 C ATOM 420 O SER A 26 8.828 -9.975 -0.719 1.00 51.31 O ATOM 421 CB SER A 26 10.571 -7.284 -1.356 1.00 33.25 C ATOM 422 OG SER A 26 9.328 -7.140 -2.025 1.00 11.14 O ATOM 0 H SER A 26 10.223 -9.584 -2.874 1.00 43.52 H new ATOM 0 HA SER A 26 11.819 -8.849 -0.486 1.00 22.43 H new ATOM 0 HB2 SER A 26 10.551 -6.716 -0.426 1.00 33.25 H new ATOM 0 HB3 SER A 26 11.365 -6.861 -1.970 1.00 33.25 H new ATOM 0 HG SER A 26 9.425 -7.422 -2.959 1.00 11.14 H new ATOM 428 N LYS A 27 9.854 -9.148 1.139 1.00 1.41 N ATOM 429 CA LYS A 27 8.722 -9.340 2.063 1.00 41.12 C ATOM 430 C LYS A 27 8.071 -7.974 2.319 1.00 32.42 C ATOM 431 O LYS A 27 8.744 -7.042 2.769 1.00 13.22 O ATOM 432 CB LYS A 27 9.167 -9.984 3.413 1.00 54.11 C ATOM 433 CG LYS A 27 8.053 -9.982 4.503 1.00 14.21 C ATOM 434 CD LYS A 27 8.381 -10.834 5.749 1.00 3.23 C ATOM 435 CE LYS A 27 8.461 -12.333 5.433 1.00 53.42 C ATOM 436 NZ LYS A 27 8.575 -13.165 6.661 1.00 43.15 N ATOM 0 H LYS A 27 10.715 -8.852 1.600 1.00 1.41 H new ATOM 0 HA LYS A 27 8.011 -10.027 1.605 1.00 41.12 H new ATOM 0 HB2 LYS A 27 9.482 -11.011 3.229 1.00 54.11 H new ATOM 0 HB3 LYS A 27 10.036 -9.447 3.793 1.00 54.11 H new ATOM 0 HG2 LYS A 27 7.871 -8.954 4.818 1.00 14.21 H new ATOM 0 HG3 LYS A 27 7.127 -10.349 4.060 1.00 14.21 H new ATOM 0 HD2 LYS A 27 9.330 -10.504 6.171 1.00 3.23 H new ATOM 0 HD3 LYS A 27 7.619 -10.667 6.510 1.00 3.23 H new ATOM 0 HE2 LYS A 27 7.573 -12.632 4.876 1.00 53.42 H new ATOM 0 HE3 LYS A 27 9.320 -12.521 4.789 1.00 53.42 H new ATOM 0 HZ1 LYS A 27 8.626 -14.169 6.396 1.00 43.15 H new ATOM 0 HZ2 LYS A 27 9.436 -12.900 7.181 1.00 43.15 H new ATOM 0 HZ3 LYS A 27 7.743 -13.008 7.265 1.00 43.15 H new ATOM 450 N VAL A 28 6.770 -7.864 2.011 1.00 11.14 N ATOM 451 CA VAL A 28 5.995 -6.644 2.252 1.00 71.15 C ATOM 452 C VAL A 28 5.148 -6.809 3.530 1.00 5.12 C ATOM 453 O VAL A 28 4.234 -7.639 3.580 1.00 72.40 O ATOM 454 CB VAL A 28 5.052 -6.296 1.039 1.00 22.14 C ATOM 455 CG1 VAL A 28 4.355 -4.943 1.269 1.00 62.45 C ATOM 456 CG2 VAL A 28 5.819 -6.311 -0.306 1.00 73.12 C ATOM 0 H VAL A 28 6.229 -8.619 1.589 1.00 11.14 H new ATOM 0 HA VAL A 28 6.702 -5.823 2.373 1.00 71.15 H new ATOM 0 HB VAL A 28 4.287 -7.070 0.978 1.00 22.14 H new ATOM 0 HG11 VAL A 28 3.708 -4.718 0.421 1.00 62.45 H new ATOM 0 HG12 VAL A 28 3.757 -4.992 2.179 1.00 62.45 H new ATOM 0 HG13 VAL A 28 5.106 -4.159 1.370 1.00 62.45 H new ATOM 0 HG21 VAL A 28 5.134 -6.066 -1.118 1.00 73.12 H new ATOM 0 HG22 VAL A 28 6.623 -5.575 -0.275 1.00 73.12 H new ATOM 0 HG23 VAL A 28 6.241 -7.302 -0.473 1.00 73.12 H new ATOM 466 N GLN A 29 5.482 -6.030 4.556 1.00 63.33 N ATOM 467 CA GLN A 29 4.682 -5.888 5.781 1.00 21.14 C ATOM 468 C GLN A 29 3.806 -4.632 5.656 1.00 64.20 C ATOM 469 O GLN A 29 4.107 -3.758 4.846 1.00 2.14 O ATOM 470 CB GLN A 29 5.634 -5.767 7.007 1.00 20.42 C ATOM 471 CG GLN A 29 6.568 -6.978 7.213 1.00 71.31 C ATOM 472 CD GLN A 29 5.810 -8.266 7.567 1.00 31.33 C ATOM 473 OE1 GLN A 29 5.400 -9.026 6.688 1.00 1.33 O ATOM 474 NE2 GLN A 29 5.619 -8.515 8.855 1.00 50.00 N ATOM 0 H GLN A 29 6.332 -5.467 4.564 1.00 63.33 H new ATOM 0 HA GLN A 29 4.043 -6.760 5.920 1.00 21.14 H new ATOM 0 HB2 GLN A 29 6.243 -4.870 6.891 1.00 20.42 H new ATOM 0 HB3 GLN A 29 5.033 -5.631 7.906 1.00 20.42 H new ATOM 0 HG2 GLN A 29 7.147 -7.142 6.304 1.00 71.31 H new ATOM 0 HG3 GLN A 29 7.279 -6.751 8.008 1.00 71.31 H new ATOM 0 HE21 GLN A 29 5.971 -7.865 9.558 1.00 50.00 H new ATOM 0 HE22 GLN A 29 5.120 -9.356 9.143 1.00 50.00 H new ATOM 483 N VAL A 30 2.728 -4.548 6.439 1.00 72.04 N ATOM 484 CA VAL A 30 1.924 -3.315 6.555 1.00 12.41 C ATOM 485 C VAL A 30 2.354 -2.571 7.839 1.00 40.20 C ATOM 486 O VAL A 30 2.263 -3.114 8.945 1.00 71.14 O ATOM 487 CB VAL A 30 0.370 -3.610 6.523 1.00 10.21 C ATOM 488 CG1 VAL A 30 -0.040 -4.737 7.501 1.00 23.14 C ATOM 489 CG2 VAL A 30 -0.436 -2.309 6.768 1.00 44.04 C ATOM 0 H VAL A 30 2.385 -5.322 7.008 1.00 72.04 H new ATOM 0 HA VAL A 30 2.112 -2.678 5.691 1.00 12.41 H new ATOM 0 HB VAL A 30 0.127 -3.976 5.526 1.00 10.21 H new ATOM 0 HG11 VAL A 30 -1.116 -4.899 7.439 1.00 23.14 H new ATOM 0 HG12 VAL A 30 0.481 -5.657 7.235 1.00 23.14 H new ATOM 0 HG13 VAL A 30 0.226 -4.450 8.518 1.00 23.14 H new ATOM 0 HG21 VAL A 30 -1.503 -2.532 6.742 1.00 44.04 H new ATOM 0 HG22 VAL A 30 -0.175 -1.897 7.743 1.00 44.04 H new ATOM 0 HG23 VAL A 30 -0.198 -1.582 5.991 1.00 44.04 H new ATOM 499 N ARG A 31 2.873 -1.341 7.666 1.00 43.11 N ATOM 500 CA ARG A 31 3.440 -0.548 8.767 1.00 24.14 C ATOM 501 C ARG A 31 2.326 0.248 9.489 1.00 40.01 C ATOM 502 O ARG A 31 2.096 0.068 10.689 1.00 53.34 O ATOM 503 CB ARG A 31 4.549 0.404 8.217 1.00 24.01 C ATOM 504 CG ARG A 31 5.362 1.146 9.306 1.00 4.33 C ATOM 505 CD ARG A 31 6.185 0.179 10.188 1.00 41.22 C ATOM 506 NE ARG A 31 6.754 0.836 11.377 1.00 44.54 N ATOM 507 CZ ARG A 31 7.635 0.271 12.225 1.00 72.12 C ATOM 508 NH1 ARG A 31 8.074 -0.975 12.038 1.00 51.20 N ATOM 509 NH2 ARG A 31 8.065 0.958 13.271 1.00 4.51 N ATOM 0 H ARG A 31 2.910 -0.872 6.761 1.00 43.11 H new ATOM 0 HA ARG A 31 3.894 -1.220 9.496 1.00 24.14 H new ATOM 0 HB2 ARG A 31 5.236 -0.178 7.603 1.00 24.01 H new ATOM 0 HB3 ARG A 31 4.084 1.142 7.564 1.00 24.01 H new ATOM 0 HG2 ARG A 31 6.034 1.861 8.830 1.00 4.33 H new ATOM 0 HG3 ARG A 31 4.682 1.719 9.936 1.00 4.33 H new ATOM 0 HD2 ARG A 31 5.549 -0.647 10.505 1.00 41.22 H new ATOM 0 HD3 ARG A 31 6.992 -0.250 9.594 1.00 41.22 H new ATOM 0 HE ARG A 31 6.458 1.792 11.573 1.00 44.54 H new ATOM 0 HH11 ARG A 31 7.742 -1.518 11.241 1.00 51.20 H new ATOM 0 HH12 ARG A 31 8.741 -1.384 12.692 1.00 51.20 H new ATOM 0 HH21 ARG A 31 7.729 1.908 13.430 1.00 4.51 H new ATOM 0 HH22 ARG A 31 8.732 0.538 13.918 1.00 4.51 H new ATOM 523 N ARG A 32 1.610 1.083 8.724 1.00 41.15 N ATOM 524 CA ARG A 32 0.625 2.038 9.263 1.00 51.20 C ATOM 525 C ARG A 32 -0.400 2.401 8.171 1.00 30.21 C ATOM 526 O ARG A 32 -0.049 2.486 6.996 1.00 75.31 O ATOM 527 CB ARG A 32 1.377 3.301 9.780 1.00 4.53 C ATOM 528 CG ARG A 32 0.488 4.449 10.298 1.00 2.01 C ATOM 529 CD ARG A 32 -0.424 4.046 11.466 1.00 34.53 C ATOM 530 NE ARG A 32 -1.366 5.118 11.820 1.00 44.53 N ATOM 531 CZ ARG A 32 -2.353 5.003 12.726 1.00 15.21 C ATOM 532 NH1 ARG A 32 -2.550 3.855 13.383 1.00 62.10 N ATOM 533 NH2 ARG A 32 -3.146 6.041 12.971 1.00 63.31 N ATOM 0 H ARG A 32 1.696 1.117 7.708 1.00 41.15 H new ATOM 0 HA ARG A 32 0.081 1.592 10.095 1.00 51.20 H new ATOM 0 HB2 ARG A 32 2.049 2.997 10.583 1.00 4.53 H new ATOM 0 HB3 ARG A 32 1.999 3.686 8.972 1.00 4.53 H new ATOM 0 HG2 ARG A 32 1.125 5.275 10.614 1.00 2.01 H new ATOM 0 HG3 ARG A 32 -0.128 4.818 9.478 1.00 2.01 H new ATOM 0 HD2 ARG A 32 -0.980 3.147 11.199 1.00 34.53 H new ATOM 0 HD3 ARG A 32 0.186 3.797 12.334 1.00 34.53 H new ATOM 0 HE ARG A 32 -1.263 6.014 11.344 1.00 44.53 H new ATOM 0 HH11 ARG A 32 -1.948 3.053 13.199 1.00 62.10 H new ATOM 0 HH12 ARG A 32 -3.303 3.782 14.068 1.00 62.10 H new ATOM 0 HH21 ARG A 32 -3.004 6.920 12.473 1.00 63.31 H new ATOM 0 HH22 ARG A 32 -3.896 5.959 13.657 1.00 63.31 H new ATOM 547 N VAL A 33 -1.677 2.599 8.560 1.00 52.13 N ATOM 548 CA VAL A 33 -2.770 2.927 7.615 1.00 72.03 C ATOM 549 C VAL A 33 -3.529 4.188 8.090 1.00 72.32 C ATOM 550 O VAL A 33 -4.017 4.242 9.221 1.00 25.53 O ATOM 551 CB VAL A 33 -3.777 1.713 7.443 1.00 21.23 C ATOM 552 CG1 VAL A 33 -4.958 2.072 6.507 1.00 50.42 C ATOM 553 CG2 VAL A 33 -3.043 0.447 6.930 1.00 21.11 C ATOM 0 H VAL A 33 -1.980 2.537 9.532 1.00 52.13 H new ATOM 0 HA VAL A 33 -2.319 3.126 6.643 1.00 72.03 H new ATOM 0 HB VAL A 33 -4.189 1.498 8.429 1.00 21.23 H new ATOM 0 HG11 VAL A 33 -5.624 1.214 6.416 1.00 50.42 H new ATOM 0 HG12 VAL A 33 -5.508 2.916 6.923 1.00 50.42 H new ATOM 0 HG13 VAL A 33 -4.574 2.339 5.523 1.00 50.42 H new ATOM 0 HG21 VAL A 33 -3.758 -0.369 6.821 1.00 21.11 H new ATOM 0 HG22 VAL A 33 -2.584 0.659 5.964 1.00 21.11 H new ATOM 0 HG23 VAL A 33 -2.270 0.160 7.643 1.00 21.11 H new ATOM 563 N GLN A 34 -3.574 5.209 7.214 1.00 64.11 N ATOM 564 CA GLN A 34 -4.418 6.410 7.368 1.00 74.52 C ATOM 565 C GLN A 34 -5.582 6.330 6.370 1.00 54.43 C ATOM 566 O GLN A 34 -5.355 6.099 5.184 1.00 33.32 O ATOM 567 CB GLN A 34 -3.607 7.720 7.100 1.00 24.23 C ATOM 568 CG GLN A 34 -2.638 8.149 8.226 1.00 54.14 C ATOM 569 CD GLN A 34 -1.415 7.249 8.436 1.00 54.34 C ATOM 570 OE1 GLN A 34 -0.929 7.129 9.554 1.00 42.04 O ATOM 571 NE2 GLN A 34 -0.890 6.646 7.371 1.00 60.53 N ATOM 0 H GLN A 34 -3.014 5.223 6.362 1.00 64.11 H new ATOM 0 HA GLN A 34 -4.786 6.441 8.393 1.00 74.52 H new ATOM 0 HB2 GLN A 34 -3.034 7.590 6.182 1.00 24.23 H new ATOM 0 HB3 GLN A 34 -4.312 8.532 6.923 1.00 24.23 H new ATOM 0 HG2 GLN A 34 -2.289 9.159 8.013 1.00 54.14 H new ATOM 0 HG3 GLN A 34 -3.196 8.195 9.161 1.00 54.14 H new ATOM 0 HE21 GLN A 34 -1.319 6.766 6.454 1.00 60.53 H new ATOM 0 HE22 GLN A 34 -0.059 6.064 7.473 1.00 60.53 H new ATOM 580 N LYS A 35 -6.819 6.525 6.846 1.00 32.44 N ATOM 581 CA LYS A 35 -8.010 6.621 5.981 1.00 5.21 C ATOM 582 C LYS A 35 -8.405 8.102 5.925 1.00 75.24 C ATOM 583 O LYS A 35 -8.880 8.649 6.922 1.00 34.03 O ATOM 584 CB LYS A 35 -9.153 5.718 6.556 1.00 35.23 C ATOM 585 CG LYS A 35 -10.374 5.447 5.625 1.00 3.04 C ATOM 586 CD LYS A 35 -11.386 6.611 5.529 1.00 3.42 C ATOM 587 CE LYS A 35 -12.591 6.275 4.624 1.00 0.02 C ATOM 588 NZ LYS A 35 -13.615 7.361 4.633 1.00 1.52 N ATOM 0 H LYS A 35 -7.026 6.621 7.840 1.00 32.44 H new ATOM 0 HA LYS A 35 -7.812 6.264 4.970 1.00 5.21 H new ATOM 0 HB2 LYS A 35 -8.719 4.758 6.834 1.00 35.23 H new ATOM 0 HB3 LYS A 35 -9.521 6.179 7.473 1.00 35.23 H new ATOM 0 HG2 LYS A 35 -10.007 5.220 4.624 1.00 3.04 H new ATOM 0 HG3 LYS A 35 -10.896 4.559 5.982 1.00 3.04 H new ATOM 0 HD2 LYS A 35 -11.744 6.860 6.528 1.00 3.42 H new ATOM 0 HD3 LYS A 35 -10.881 7.496 5.142 1.00 3.42 H new ATOM 0 HE2 LYS A 35 -12.244 6.112 3.604 1.00 0.02 H new ATOM 0 HE3 LYS A 35 -13.047 5.343 4.958 1.00 0.02 H new ATOM 0 HZ1 LYS A 35 -14.566 6.941 4.612 1.00 1.52 H new ATOM 0 HZ2 LYS A 35 -13.508 7.932 5.495 1.00 1.52 H new ATOM 0 HZ3 LYS A 35 -13.485 7.967 3.798 1.00 1.52 H new ATOM 602 N GLN A 36 -8.178 8.758 4.773 1.00 51.43 N ATOM 603 CA GLN A 36 -8.461 10.197 4.590 1.00 20.11 C ATOM 604 C GLN A 36 -9.435 10.402 3.411 1.00 3.44 C ATOM 605 O GLN A 36 -9.019 10.467 2.245 1.00 34.14 O ATOM 606 CB GLN A 36 -7.123 10.979 4.389 1.00 34.13 C ATOM 607 CG GLN A 36 -6.157 10.952 5.602 1.00 72.30 C ATOM 608 CD GLN A 36 -6.703 11.692 6.834 1.00 73.41 C ATOM 609 OE1 GLN A 36 -7.375 11.110 7.686 1.00 24.21 O ATOM 610 NE2 GLN A 36 -6.432 12.985 6.934 1.00 3.24 N ATOM 0 H GLN A 36 -7.794 8.308 3.942 1.00 51.43 H new ATOM 0 HA GLN A 36 -8.945 10.592 5.483 1.00 20.11 H new ATOM 0 HB2 GLN A 36 -6.606 10.566 3.523 1.00 34.13 H new ATOM 0 HB3 GLN A 36 -7.359 12.017 4.155 1.00 34.13 H new ATOM 0 HG2 GLN A 36 -5.952 9.916 5.871 1.00 72.30 H new ATOM 0 HG3 GLN A 36 -5.207 11.399 5.310 1.00 72.30 H new ATOM 0 HE21 GLN A 36 -5.873 13.446 6.216 1.00 3.24 H new ATOM 0 HE22 GLN A 36 -6.782 13.519 7.729 1.00 3.24 H new ATOM 619 N GLY A 37 -10.743 10.460 3.741 1.00 35.31 N ATOM 620 CA GLY A 37 -11.813 10.672 2.757 1.00 72.55 C ATOM 621 C GLY A 37 -12.009 9.469 1.848 1.00 73.22 C ATOM 622 O GLY A 37 -12.673 8.504 2.227 1.00 22.33 O ATOM 0 H GLY A 37 -11.081 10.361 4.698 1.00 35.31 H new ATOM 0 HA2 GLY A 37 -12.746 10.886 3.279 1.00 72.55 H new ATOM 0 HA3 GLY A 37 -11.578 11.547 2.152 1.00 72.55 H new ATOM 626 N ASN A 38 -11.420 9.525 0.646 1.00 32.23 N ATOM 627 CA ASN A 38 -11.392 8.383 -0.292 1.00 34.42 C ATOM 628 C ASN A 38 -9.964 7.840 -0.423 1.00 72.21 C ATOM 629 O ASN A 38 -9.783 6.648 -0.682 1.00 24.40 O ATOM 630 CB ASN A 38 -11.955 8.780 -1.687 1.00 72.32 C ATOM 631 CG ASN A 38 -13.474 8.960 -1.677 1.00 13.03 C ATOM 632 OD1 ASN A 38 -14.220 8.001 -1.874 1.00 51.34 O ATOM 633 ND2 ASN A 38 -13.937 10.184 -1.454 1.00 31.23 N ATOM 0 H ASN A 38 -10.950 10.358 0.293 1.00 32.23 H new ATOM 0 HA ASN A 38 -12.033 7.599 0.112 1.00 34.42 H new ATOM 0 HB2 ASN A 38 -11.485 9.707 -2.014 1.00 72.32 H new ATOM 0 HB3 ASN A 38 -11.688 8.013 -2.414 1.00 72.32 H new ATOM 0 HD21 ASN A 38 -14.943 10.355 -1.442 1.00 31.23 H new ATOM 0 HD22 ASN A 38 -13.287 10.954 -1.295 1.00 31.23 H new ATOM 640 N THR A 39 -8.957 8.724 -0.244 1.00 30.34 N ATOM 641 CA THR A 39 -7.542 8.353 -0.374 1.00 3.54 C ATOM 642 C THR A 39 -7.028 7.745 0.945 1.00 63.33 C ATOM 643 O THR A 39 -6.775 8.462 1.926 1.00 51.51 O ATOM 644 CB THR A 39 -6.650 9.580 -0.777 1.00 2.02 C ATOM 645 OG1 THR A 39 -7.229 10.269 -1.901 1.00 42.12 O ATOM 646 CG2 THR A 39 -5.210 9.148 -1.139 1.00 62.31 C ATOM 0 H THR A 39 -9.107 9.705 -0.008 1.00 30.34 H new ATOM 0 HA THR A 39 -7.471 7.612 -1.170 1.00 3.54 H new ATOM 0 HB THR A 39 -6.605 10.244 0.086 1.00 2.02 H new ATOM 0 HG1 THR A 39 -6.665 11.033 -2.142 1.00 42.12 H new ATOM 0 HG21 THR A 39 -4.625 10.026 -1.412 1.00 62.31 H new ATOM 0 HG22 THR A 39 -4.750 8.658 -0.281 1.00 62.31 H new ATOM 0 HG23 THR A 39 -5.239 8.455 -1.980 1.00 62.31 H new ATOM 654 N ILE A 40 -6.933 6.412 0.974 1.00 3.31 N ATOM 655 CA ILE A 40 -6.318 5.680 2.081 1.00 54.24 C ATOM 656 C ILE A 40 -4.799 5.544 1.830 1.00 15.34 C ATOM 657 O ILE A 40 -4.363 4.875 0.882 1.00 54.24 O ATOM 658 CB ILE A 40 -6.982 4.264 2.272 1.00 41.33 C ATOM 659 CG1 ILE A 40 -8.508 4.424 2.570 1.00 4.21 C ATOM 660 CG2 ILE A 40 -6.272 3.457 3.388 1.00 64.52 C ATOM 661 CD1 ILE A 40 -9.250 3.141 2.923 1.00 25.23 C ATOM 0 H ILE A 40 -7.282 5.811 0.228 1.00 3.31 H new ATOM 0 HA ILE A 40 -6.481 6.241 3.001 1.00 54.24 H new ATOM 0 HB ILE A 40 -6.869 3.701 1.346 1.00 41.33 H new ATOM 0 HG12 ILE A 40 -8.627 5.129 3.393 1.00 4.21 H new ATOM 0 HG13 ILE A 40 -8.985 4.870 1.697 1.00 4.21 H new ATOM 0 HG21 ILE A 40 -6.753 2.485 3.496 1.00 64.52 H new ATOM 0 HG22 ILE A 40 -5.224 3.316 3.124 1.00 64.52 H new ATOM 0 HG23 ILE A 40 -6.339 4.002 4.330 1.00 64.52 H new ATOM 0 HD11 ILE A 40 -10.300 3.367 3.110 1.00 25.23 H new ATOM 0 HD12 ILE A 40 -9.173 2.436 2.095 1.00 25.23 H new ATOM 0 HD13 ILE A 40 -8.809 2.700 3.817 1.00 25.23 H new ATOM 673 N ARG A 41 -4.012 6.222 2.677 1.00 0.05 N ATOM 674 CA ARG A 41 -2.551 6.128 2.681 1.00 1.11 C ATOM 675 C ARG A 41 -2.116 4.878 3.461 1.00 73.14 C ATOM 676 O ARG A 41 -2.071 4.900 4.698 1.00 22.12 O ATOM 677 CB ARG A 41 -1.936 7.385 3.348 1.00 11.02 C ATOM 678 CG ARG A 41 -2.081 8.703 2.565 1.00 4.32 C ATOM 679 CD ARG A 41 -1.374 9.867 3.285 1.00 24.11 C ATOM 680 NE ARG A 41 -1.162 11.030 2.417 1.00 30.22 N ATOM 681 CZ ARG A 41 -0.410 12.097 2.744 1.00 63.44 C ATOM 682 NH1 ARG A 41 0.208 12.166 3.930 1.00 2.24 N ATOM 683 NH2 ARG A 41 -0.271 13.091 1.876 1.00 24.34 N ATOM 0 H ARG A 41 -4.379 6.857 3.385 1.00 0.05 H new ATOM 0 HA ARG A 41 -2.201 6.060 1.651 1.00 1.11 H new ATOM 0 HB2 ARG A 41 -2.397 7.515 4.327 1.00 11.02 H new ATOM 0 HB3 ARG A 41 -0.875 7.200 3.517 1.00 11.02 H new ATOM 0 HG2 ARG A 41 -1.661 8.582 1.566 1.00 4.32 H new ATOM 0 HG3 ARG A 41 -3.138 8.939 2.440 1.00 4.32 H new ATOM 0 HD2 ARG A 41 -1.967 10.168 4.148 1.00 24.11 H new ATOM 0 HD3 ARG A 41 -0.412 9.522 3.664 1.00 24.11 H new ATOM 0 HE ARG A 41 -1.615 11.030 1.503 1.00 30.22 H new ATOM 0 HH11 ARG A 41 0.112 11.403 4.600 1.00 2.24 H new ATOM 0 HH12 ARG A 41 0.775 12.981 4.163 1.00 2.24 H new ATOM 0 HH21 ARG A 41 -0.733 13.043 0.968 1.00 24.34 H new ATOM 0 HH22 ARG A 41 0.297 13.903 2.117 1.00 24.34 H new ATOM 697 N VAL A 42 -1.828 3.787 2.747 1.00 35.11 N ATOM 698 CA VAL A 42 -1.242 2.594 3.367 1.00 14.42 C ATOM 699 C VAL A 42 0.280 2.718 3.278 1.00 52.14 C ATOM 700 O VAL A 42 0.853 2.671 2.194 1.00 4.34 O ATOM 701 CB VAL A 42 -1.726 1.250 2.709 1.00 4.13 C ATOM 702 CG1 VAL A 42 -1.112 0.013 3.410 1.00 35.24 C ATOM 703 CG2 VAL A 42 -3.257 1.164 2.725 1.00 65.54 C ATOM 0 H VAL A 42 -1.990 3.704 1.743 1.00 35.11 H new ATOM 0 HA VAL A 42 -1.574 2.548 4.404 1.00 14.42 H new ATOM 0 HB VAL A 42 -1.381 1.250 1.675 1.00 4.13 H new ATOM 0 HG11 VAL A 42 -1.471 -0.895 2.926 1.00 35.24 H new ATOM 0 HG12 VAL A 42 -0.025 0.057 3.339 1.00 35.24 H new ATOM 0 HG13 VAL A 42 -1.407 0.006 4.459 1.00 35.24 H new ATOM 0 HG21 VAL A 42 -3.574 0.228 2.266 1.00 65.54 H new ATOM 0 HG22 VAL A 42 -3.613 1.202 3.755 1.00 65.54 H new ATOM 0 HG23 VAL A 42 -3.674 2.002 2.166 1.00 65.54 H new ATOM 713 N GLU A 43 0.890 2.982 4.429 1.00 74.44 N ATOM 714 CA GLU A 43 2.338 2.904 4.623 1.00 2.12 C ATOM 715 C GLU A 43 2.711 1.443 4.899 1.00 34.21 C ATOM 716 O GLU A 43 2.179 0.830 5.826 1.00 30.35 O ATOM 717 CB GLU A 43 2.772 3.804 5.808 1.00 50.12 C ATOM 718 CG GLU A 43 2.355 5.275 5.665 1.00 71.30 C ATOM 719 CD GLU A 43 2.777 6.126 6.869 1.00 14.33 C ATOM 720 OE1 GLU A 43 2.002 6.213 7.848 1.00 21.31 O ATOM 721 OE2 GLU A 43 3.884 6.712 6.846 1.00 74.21 O ATOM 0 H GLU A 43 0.385 3.261 5.270 1.00 74.44 H new ATOM 0 HA GLU A 43 2.852 3.256 3.728 1.00 2.12 H new ATOM 0 HB2 GLU A 43 2.346 3.405 6.728 1.00 50.12 H new ATOM 0 HB3 GLU A 43 3.856 3.753 5.911 1.00 50.12 H new ATOM 0 HG2 GLU A 43 2.798 5.688 4.759 1.00 71.30 H new ATOM 0 HG3 GLU A 43 1.273 5.332 5.545 1.00 71.30 H new ATOM 728 N LEU A 44 3.590 0.882 4.070 1.00 74.15 N ATOM 729 CA LEU A 44 4.039 -0.512 4.199 1.00 13.11 C ATOM 730 C LEU A 44 5.540 -0.536 4.497 1.00 51.13 C ATOM 731 O LEU A 44 6.257 0.408 4.163 1.00 44.11 O ATOM 732 CB LEU A 44 3.712 -1.326 2.910 1.00 51.24 C ATOM 733 CG LEU A 44 2.246 -1.162 2.357 1.00 24.42 C ATOM 734 CD1 LEU A 44 2.159 -0.028 1.317 1.00 25.33 C ATOM 735 CD2 LEU A 44 1.689 -2.473 1.784 1.00 63.23 C ATOM 0 H LEU A 44 4.014 1.379 3.287 1.00 74.15 H new ATOM 0 HA LEU A 44 3.505 -0.983 5.024 1.00 13.11 H new ATOM 0 HB2 LEU A 44 4.412 -1.031 2.128 1.00 51.24 H new ATOM 0 HB3 LEU A 44 3.889 -2.382 3.114 1.00 51.24 H new ATOM 0 HG LEU A 44 1.622 -0.891 3.208 1.00 24.42 H new ATOM 0 HD11 LEU A 44 1.134 0.057 0.957 1.00 25.33 H new ATOM 0 HD12 LEU A 44 2.461 0.912 1.778 1.00 25.33 H new ATOM 0 HD13 LEU A 44 2.821 -0.251 0.480 1.00 25.33 H new ATOM 0 HD21 LEU A 44 0.676 -2.308 1.416 1.00 63.23 H new ATOM 0 HD22 LEU A 44 2.323 -2.810 0.964 1.00 63.23 H new ATOM 0 HD23 LEU A 44 1.672 -3.233 2.565 1.00 63.23 H new ATOM 747 N GLU A 45 5.997 -1.602 5.160 1.00 45.14 N ATOM 748 CA GLU A 45 7.422 -1.821 5.440 1.00 35.04 C ATOM 749 C GLU A 45 7.924 -3.024 4.617 1.00 31.45 C ATOM 750 O GLU A 45 7.657 -4.172 4.954 1.00 73.14 O ATOM 751 CB GLU A 45 7.597 -2.029 6.969 1.00 25.22 C ATOM 752 CG GLU A 45 9.046 -2.251 7.430 1.00 74.12 C ATOM 753 CD GLU A 45 9.210 -2.075 8.947 1.00 20.43 C ATOM 754 OE1 GLU A 45 8.973 -3.045 9.700 1.00 55.24 O ATOM 755 OE2 GLU A 45 9.561 -0.956 9.386 1.00 54.41 O ATOM 0 H GLU A 45 5.390 -2.339 5.519 1.00 45.14 H new ATOM 0 HA GLU A 45 8.021 -0.959 5.147 1.00 35.04 H new ATOM 0 HB2 GLU A 45 7.195 -1.158 7.488 1.00 25.22 H new ATOM 0 HB3 GLU A 45 6.998 -2.887 7.275 1.00 25.22 H new ATOM 0 HG2 GLU A 45 9.365 -3.254 7.147 1.00 74.12 H new ATOM 0 HG3 GLU A 45 9.701 -1.550 6.912 1.00 74.12 H new ATOM 762 N LEU A 46 8.662 -2.729 3.539 1.00 74.34 N ATOM 763 CA LEU A 46 9.146 -3.724 2.561 1.00 34.21 C ATOM 764 C LEU A 46 10.638 -4.017 2.822 1.00 1.04 C ATOM 765 O LEU A 46 11.343 -3.188 3.389 1.00 53.20 O ATOM 766 CB LEU A 46 8.852 -3.179 1.120 1.00 42.44 C ATOM 767 CG LEU A 46 9.389 -3.994 -0.123 1.00 52.04 C ATOM 768 CD1 LEU A 46 8.519 -3.764 -1.377 1.00 23.42 C ATOM 769 CD2 LEU A 46 10.849 -3.629 -0.469 1.00 12.43 C ATOM 0 H LEU A 46 8.947 -1.776 3.314 1.00 74.34 H new ATOM 0 HA LEU A 46 8.628 -4.678 2.661 1.00 34.21 H new ATOM 0 HB2 LEU A 46 7.771 -3.089 1.015 1.00 42.44 H new ATOM 0 HB3 LEU A 46 9.263 -2.171 1.057 1.00 42.44 H new ATOM 0 HG LEU A 46 9.340 -5.043 0.168 1.00 52.04 H new ATOM 0 HD11 LEU A 46 8.921 -4.341 -2.210 1.00 23.42 H new ATOM 0 HD12 LEU A 46 7.497 -4.083 -1.174 1.00 23.42 H new ATOM 0 HD13 LEU A 46 8.524 -2.705 -1.634 1.00 23.42 H new ATOM 0 HD21 LEU A 46 11.176 -4.213 -1.329 1.00 12.43 H new ATOM 0 HD22 LEU A 46 10.912 -2.567 -0.706 1.00 12.43 H new ATOM 0 HD23 LEU A 46 11.491 -3.849 0.384 1.00 12.43 H new ATOM 781 N ARG A 47 11.100 -5.224 2.430 1.00 73.24 N ATOM 782 CA ARG A 47 12.515 -5.637 2.560 1.00 3.44 C ATOM 783 C ARG A 47 13.044 -6.205 1.218 1.00 63.51 C ATOM 784 O ARG A 47 12.861 -7.392 0.944 1.00 10.04 O ATOM 785 CB ARG A 47 12.624 -6.719 3.676 1.00 73.44 C ATOM 786 CG ARG A 47 12.318 -6.238 5.116 1.00 60.31 C ATOM 787 CD ARG A 47 12.038 -7.412 6.077 1.00 43.24 C ATOM 788 NE ARG A 47 13.072 -8.462 6.013 1.00 51.21 N ATOM 789 CZ ARG A 47 13.004 -9.660 6.630 1.00 0.41 C ATOM 790 NH1 ARG A 47 11.957 -9.988 7.387 1.00 55.01 N ATOM 791 NH2 ARG A 47 13.986 -10.539 6.469 1.00 61.02 N ATOM 0 H ARG A 47 10.503 -5.939 2.015 1.00 73.24 H new ATOM 0 HA ARG A 47 13.120 -4.769 2.823 1.00 3.44 H new ATOM 0 HB2 ARG A 47 11.942 -7.534 3.433 1.00 73.44 H new ATOM 0 HB3 ARG A 47 13.633 -7.132 3.658 1.00 73.44 H new ATOM 0 HG2 ARG A 47 13.162 -5.658 5.490 1.00 60.31 H new ATOM 0 HG3 ARG A 47 11.456 -5.572 5.099 1.00 60.31 H new ATOM 0 HD2 ARG A 47 11.974 -7.033 7.097 1.00 43.24 H new ATOM 0 HD3 ARG A 47 11.068 -7.848 5.837 1.00 43.24 H new ATOM 0 HE ARG A 47 13.905 -8.267 5.458 1.00 51.21 H new ATOM 0 HH11 ARG A 47 11.189 -9.328 7.508 1.00 55.01 H new ATOM 0 HH12 ARG A 47 11.924 -10.899 7.845 1.00 55.01 H new ATOM 0 HH21 ARG A 47 14.787 -10.307 5.881 1.00 61.02 H new ATOM 0 HH22 ARG A 47 13.940 -11.446 6.933 1.00 61.02 H new ATOM 805 N THR A 48 13.738 -5.367 0.413 1.00 12.41 N ATOM 806 CA THR A 48 14.369 -5.804 -0.852 1.00 64.45 C ATOM 807 C THR A 48 15.700 -6.494 -0.532 1.00 15.35 C ATOM 808 O THR A 48 16.679 -5.814 -0.205 1.00 21.41 O ATOM 809 CB THR A 48 14.626 -4.604 -1.842 1.00 13.20 C ATOM 810 OG1 THR A 48 13.396 -3.940 -2.155 1.00 31.22 O ATOM 811 CG2 THR A 48 15.290 -5.054 -3.164 1.00 25.33 C ATOM 0 H THR A 48 13.875 -4.378 0.620 1.00 12.41 H new ATOM 0 HA THR A 48 13.683 -6.492 -1.346 1.00 64.45 H new ATOM 0 HB THR A 48 15.308 -3.926 -1.329 1.00 13.20 H new ATOM 0 HG1 THR A 48 13.471 -2.989 -1.929 1.00 31.22 H new ATOM 0 HG21 THR A 48 15.443 -4.188 -3.807 1.00 25.33 H new ATOM 0 HG22 THR A 48 16.251 -5.520 -2.948 1.00 25.33 H new ATOM 0 HG23 THR A 48 14.644 -5.772 -3.670 1.00 25.33 H new ATOM 819 N ASN A 49 15.707 -7.844 -0.580 1.00 33.25 N ATOM 820 CA ASN A 49 16.913 -8.666 -0.299 1.00 23.54 C ATOM 821 C ASN A 49 17.394 -8.460 1.162 1.00 51.10 C ATOM 822 O ASN A 49 18.574 -8.657 1.482 1.00 1.31 O ATOM 823 CB ASN A 49 18.054 -8.366 -1.336 1.00 50.01 C ATOM 824 CG ASN A 49 17.668 -8.656 -2.801 1.00 54.03 C ATOM 825 OD1 ASN A 49 16.494 -8.614 -3.180 1.00 10.23 O ATOM 826 ND2 ASN A 49 18.658 -8.920 -3.637 1.00 42.42 N ATOM 0 H ASN A 49 14.882 -8.397 -0.813 1.00 33.25 H new ATOM 0 HA ASN A 49 16.644 -9.716 -0.409 1.00 23.54 H new ATOM 0 HB2 ASN A 49 18.343 -7.319 -1.249 1.00 50.01 H new ATOM 0 HB3 ASN A 49 18.930 -8.961 -1.078 1.00 50.01 H new ATOM 0 HD21 ASN A 49 18.461 -9.095 -4.622 1.00 42.42 H new ATOM 0 HD22 ASN A 49 19.619 -8.948 -3.297 1.00 42.42 H new ATOM 833 N GLY A 50 16.440 -8.090 2.049 1.00 13.21 N ATOM 834 CA GLY A 50 16.728 -7.802 3.458 1.00 14.44 C ATOM 835 C GLY A 50 16.865 -6.313 3.754 1.00 11.54 C ATOM 836 O GLY A 50 16.737 -5.904 4.912 1.00 21.42 O ATOM 0 H GLY A 50 15.456 -7.986 1.801 1.00 13.21 H new ATOM 0 HA2 GLY A 50 15.932 -8.216 4.076 1.00 14.44 H new ATOM 0 HA3 GLY A 50 17.650 -8.308 3.744 1.00 14.44 H new ATOM 840 N LYS A 51 17.131 -5.501 2.709 1.00 0.32 N ATOM 841 CA LYS A 51 17.242 -4.036 2.846 1.00 50.43 C ATOM 842 C LYS A 51 15.860 -3.439 3.151 1.00 20.45 C ATOM 843 O LYS A 51 14.925 -3.599 2.366 1.00 42.32 O ATOM 844 CB LYS A 51 17.826 -3.391 1.556 1.00 52.11 C ATOM 845 CG LYS A 51 19.183 -3.970 1.090 1.00 72.01 C ATOM 846 CD LYS A 51 20.326 -3.852 2.135 1.00 62.41 C ATOM 847 CE LYS A 51 20.858 -2.414 2.344 1.00 24.31 C ATOM 848 NZ LYS A 51 19.884 -1.512 3.031 1.00 22.20 N ATOM 0 H LYS A 51 17.273 -5.839 1.757 1.00 0.32 H new ATOM 0 HA LYS A 51 17.924 -3.820 3.669 1.00 50.43 H new ATOM 0 HB2 LYS A 51 17.102 -3.509 0.750 1.00 52.11 H new ATOM 0 HB3 LYS A 51 17.944 -2.321 1.725 1.00 52.11 H new ATOM 0 HG2 LYS A 51 19.047 -5.021 0.836 1.00 72.01 H new ATOM 0 HG3 LYS A 51 19.488 -3.458 0.177 1.00 72.01 H new ATOM 0 HD2 LYS A 51 19.969 -4.236 3.090 1.00 62.41 H new ATOM 0 HD3 LYS A 51 21.153 -4.490 1.824 1.00 62.41 H new ATOM 0 HE2 LYS A 51 21.777 -2.456 2.929 1.00 24.31 H new ATOM 0 HE3 LYS A 51 21.116 -1.986 1.375 1.00 24.31 H new ATOM 0 HZ1 LYS A 51 20.392 -0.896 3.697 1.00 22.20 H new ATOM 0 HZ2 LYS A 51 19.394 -0.928 2.324 1.00 22.20 H new ATOM 0 HZ3 LYS A 51 19.188 -2.084 3.550 1.00 22.20 H new ATOM 862 N LYS A 52 15.755 -2.715 4.270 1.00 42.34 N ATOM 863 CA LYS A 52 14.468 -2.252 4.789 1.00 23.05 C ATOM 864 C LYS A 52 14.145 -0.893 4.166 1.00 5.32 C ATOM 865 O LYS A 52 14.842 0.099 4.411 1.00 5.22 O ATOM 866 CB LYS A 52 14.506 -2.210 6.348 1.00 50.14 C ATOM 867 CG LYS A 52 13.125 -2.162 7.061 1.00 51.30 C ATOM 868 CD LYS A 52 12.400 -0.787 7.031 1.00 31.15 C ATOM 869 CE LYS A 52 13.128 0.331 7.815 1.00 74.24 C ATOM 870 NZ LYS A 52 14.309 0.876 7.085 1.00 3.43 N ATOM 0 H LYS A 52 16.556 -2.436 4.837 1.00 42.34 H new ATOM 0 HA LYS A 52 13.670 -2.942 4.516 1.00 23.05 H new ATOM 0 HB2 LYS A 52 15.046 -3.088 6.703 1.00 50.14 H new ATOM 0 HB3 LYS A 52 15.082 -1.337 6.655 1.00 50.14 H new ATOM 0 HG2 LYS A 52 12.474 -2.906 6.602 1.00 51.30 H new ATOM 0 HG3 LYS A 52 13.263 -2.457 8.101 1.00 51.30 H new ATOM 0 HD2 LYS A 52 12.285 -0.472 5.994 1.00 31.15 H new ATOM 0 HD3 LYS A 52 11.397 -0.909 7.440 1.00 31.15 H new ATOM 0 HE2 LYS A 52 12.427 1.141 8.018 1.00 74.24 H new ATOM 0 HE3 LYS A 52 13.452 -0.060 8.780 1.00 74.24 H new ATOM 0 HZ1 LYS A 52 15.182 0.569 7.559 1.00 3.43 H new ATOM 0 HZ2 LYS A 52 14.304 0.525 6.106 1.00 3.43 H new ATOM 0 HZ3 LYS A 52 14.265 1.915 7.080 1.00 3.43 H new ATOM 884 N GLU A 53 13.099 -0.888 3.339 1.00 63.32 N ATOM 885 CA GLU A 53 12.585 0.302 2.656 1.00 64.40 C ATOM 886 C GLU A 53 11.071 0.418 2.918 1.00 41.12 C ATOM 887 O GLU A 53 10.296 -0.427 2.459 1.00 61.30 O ATOM 888 CB GLU A 53 12.875 0.193 1.131 1.00 60.22 C ATOM 889 CG GLU A 53 14.371 0.067 0.784 1.00 51.32 C ATOM 890 CD GLU A 53 14.645 -0.126 -0.715 1.00 15.45 C ATOM 891 OE1 GLU A 53 14.293 -1.193 -1.257 1.00 52.21 O ATOM 892 OE2 GLU A 53 15.235 0.774 -1.358 1.00 15.12 O ATOM 0 H GLU A 53 12.571 -1.733 3.119 1.00 63.32 H new ATOM 0 HA GLU A 53 13.079 1.196 3.037 1.00 64.40 H new ATOM 0 HB2 GLU A 53 12.346 -0.673 0.732 1.00 60.22 H new ATOM 0 HB3 GLU A 53 12.470 1.073 0.631 1.00 60.22 H new ATOM 0 HG2 GLU A 53 14.891 0.962 1.127 1.00 51.32 H new ATOM 0 HG3 GLU A 53 14.792 -0.776 1.332 1.00 51.32 H new ATOM 899 N ASN A 54 10.664 1.445 3.681 1.00 12.14 N ATOM 900 CA ASN A 54 9.243 1.760 3.899 1.00 13.34 C ATOM 901 C ASN A 54 8.700 2.501 2.671 1.00 73.22 C ATOM 902 O ASN A 54 9.349 3.405 2.141 1.00 22.32 O ATOM 903 CB ASN A 54 9.029 2.631 5.171 1.00 75.52 C ATOM 904 CG ASN A 54 9.494 1.948 6.459 1.00 70.51 C ATOM 905 OD1 ASN A 54 10.648 2.080 6.849 1.00 71.14 O ATOM 906 ND2 ASN A 54 8.601 1.227 7.133 1.00 74.42 N ATOM 0 H ASN A 54 11.305 2.076 4.161 1.00 12.14 H new ATOM 0 HA ASN A 54 8.707 0.823 4.048 1.00 13.34 H new ATOM 0 HB2 ASN A 54 9.566 3.572 5.053 1.00 75.52 H new ATOM 0 HB3 ASN A 54 7.971 2.877 5.260 1.00 75.52 H new ATOM 0 HD21 ASN A 54 8.870 0.765 8.002 1.00 74.42 H new ATOM 0 HD22 ASN A 54 7.648 1.137 6.781 1.00 74.42 H new ATOM 913 N TYR A 55 7.528 2.083 2.197 1.00 33.25 N ATOM 914 CA TYR A 55 6.795 2.773 1.125 1.00 2.22 C ATOM 915 C TYR A 55 5.478 3.340 1.674 1.00 4.25 C ATOM 916 O TYR A 55 5.096 3.077 2.819 1.00 64.54 O ATOM 917 CB TYR A 55 6.531 1.805 -0.058 1.00 54.30 C ATOM 918 CG TYR A 55 7.805 1.313 -0.772 1.00 34.23 C ATOM 919 CD1 TYR A 55 8.246 1.883 -1.971 1.00 75.13 C ATOM 920 CD2 TYR A 55 8.577 0.284 -0.241 1.00 14.24 C ATOM 921 CE1 TYR A 55 9.393 1.435 -2.611 1.00 73.15 C ATOM 922 CE2 TYR A 55 9.722 -0.162 -0.876 1.00 43.13 C ATOM 923 CZ TYR A 55 10.131 0.417 -2.055 1.00 51.12 C ATOM 924 OH TYR A 55 11.278 -0.026 -2.682 1.00 41.43 O ATOM 0 H TYR A 55 7.053 1.250 2.545 1.00 33.25 H new ATOM 0 HA TYR A 55 7.400 3.600 0.755 1.00 2.22 H new ATOM 0 HB2 TYR A 55 5.979 0.941 0.311 1.00 54.30 H new ATOM 0 HB3 TYR A 55 5.891 2.305 -0.785 1.00 54.30 H new ATOM 0 HD1 TYR A 55 7.680 2.692 -2.409 1.00 75.13 H new ATOM 0 HD2 TYR A 55 8.275 -0.177 0.688 1.00 14.24 H new ATOM 0 HE1 TYR A 55 9.705 1.884 -3.542 1.00 73.15 H new ATOM 0 HE2 TYR A 55 10.297 -0.968 -0.445 1.00 43.13 H new ATOM 0 HH TYR A 55 11.680 -0.749 -2.156 1.00 41.43 H new ATOM 934 N THR A 56 4.809 4.133 0.841 1.00 4.21 N ATOM 935 CA THR A 56 3.493 4.699 1.114 1.00 3.22 C ATOM 936 C THR A 56 2.740 4.718 -0.213 1.00 13.24 C ATOM 937 O THR A 56 3.028 5.537 -1.101 1.00 73.31 O ATOM 938 CB THR A 56 3.592 6.141 1.729 1.00 44.41 C ATOM 939 OG1 THR A 56 4.351 6.089 2.952 1.00 73.02 O ATOM 940 CG2 THR A 56 2.205 6.756 2.021 1.00 21.11 C ATOM 0 H THR A 56 5.179 4.407 -0.069 1.00 4.21 H new ATOM 0 HA THR A 56 2.968 4.096 1.854 1.00 3.22 H new ATOM 0 HB THR A 56 4.086 6.774 0.992 1.00 44.41 H new ATOM 0 HG1 THR A 56 4.415 6.988 3.336 1.00 73.02 H new ATOM 0 HG21 THR A 56 2.331 7.752 2.445 1.00 21.11 H new ATOM 0 HG22 THR A 56 1.635 6.825 1.094 1.00 21.11 H new ATOM 0 HG23 THR A 56 1.669 6.125 2.730 1.00 21.11 H new ATOM 948 N VAL A 57 1.835 3.756 -0.365 1.00 74.32 N ATOM 949 CA VAL A 57 1.010 3.606 -1.553 1.00 0.22 C ATOM 950 C VAL A 57 -0.358 4.231 -1.250 1.00 25.20 C ATOM 951 O VAL A 57 -1.148 3.681 -0.464 1.00 42.22 O ATOM 952 CB VAL A 57 0.876 2.085 -1.943 1.00 3.21 C ATOM 953 CG1 VAL A 57 0.073 1.895 -3.245 1.00 1.43 C ATOM 954 CG2 VAL A 57 2.267 1.408 -2.047 1.00 13.23 C ATOM 0 H VAL A 57 1.653 3.049 0.347 1.00 74.32 H new ATOM 0 HA VAL A 57 1.465 4.111 -2.405 1.00 0.22 H new ATOM 0 HB VAL A 57 0.320 1.597 -1.143 1.00 3.21 H new ATOM 0 HG11 VAL A 57 0.004 0.832 -3.478 1.00 1.43 H new ATOM 0 HG12 VAL A 57 -0.929 2.304 -3.117 1.00 1.43 H new ATOM 0 HG13 VAL A 57 0.576 2.414 -4.061 1.00 1.43 H new ATOM 0 HG21 VAL A 57 2.142 0.359 -2.317 1.00 13.23 H new ATOM 0 HG22 VAL A 57 2.860 1.911 -2.810 1.00 13.23 H new ATOM 0 HG23 VAL A 57 2.778 1.477 -1.087 1.00 13.23 H new ATOM 964 N GLU A 58 -0.587 5.424 -1.823 1.00 41.42 N ATOM 965 CA GLU A 58 -1.847 6.156 -1.672 1.00 74.20 C ATOM 966 C GLU A 58 -2.892 5.580 -2.640 1.00 14.01 C ATOM 967 O GLU A 58 -2.839 5.827 -3.852 1.00 54.30 O ATOM 968 CB GLU A 58 -1.636 7.677 -1.901 1.00 60.21 C ATOM 969 CG GLU A 58 -0.634 8.335 -0.918 1.00 13.50 C ATOM 970 CD GLU A 58 -0.746 9.869 -0.853 1.00 32.14 C ATOM 971 OE1 GLU A 58 0.255 10.578 -1.071 1.00 64.14 O ATOM 972 OE2 GLU A 58 -1.845 10.373 -0.566 1.00 53.30 O ATOM 0 H GLU A 58 0.100 5.905 -2.404 1.00 41.42 H new ATOM 0 HA GLU A 58 -2.213 6.034 -0.652 1.00 74.20 H new ATOM 0 HB2 GLU A 58 -1.284 7.834 -2.920 1.00 60.21 H new ATOM 0 HB3 GLU A 58 -2.598 8.183 -1.815 1.00 60.21 H new ATOM 0 HG2 GLU A 58 -0.795 7.925 0.079 1.00 13.50 H new ATOM 0 HG3 GLU A 58 0.380 8.066 -1.213 1.00 13.50 H new ATOM 979 N VAL A 59 -3.799 4.770 -2.084 1.00 55.23 N ATOM 980 CA VAL A 59 -4.863 4.095 -2.829 1.00 45.12 C ATOM 981 C VAL A 59 -6.198 4.799 -2.530 1.00 65.13 C ATOM 982 O VAL A 59 -6.657 4.799 -1.388 1.00 72.41 O ATOM 983 CB VAL A 59 -4.963 2.577 -2.424 1.00 2.53 C ATOM 984 CG1 VAL A 59 -5.966 1.817 -3.315 1.00 63.34 C ATOM 985 CG2 VAL A 59 -3.576 1.890 -2.421 1.00 71.43 C ATOM 0 H VAL A 59 -3.813 4.562 -1.085 1.00 55.23 H new ATOM 0 HA VAL A 59 -4.636 4.146 -3.894 1.00 45.12 H new ATOM 0 HB VAL A 59 -5.342 2.543 -1.403 1.00 2.53 H new ATOM 0 HG11 VAL A 59 -6.008 0.773 -3.006 1.00 63.34 H new ATOM 0 HG12 VAL A 59 -6.954 2.266 -3.215 1.00 63.34 H new ATOM 0 HG13 VAL A 59 -5.645 1.875 -4.355 1.00 63.34 H new ATOM 0 HG21 VAL A 59 -3.689 0.844 -2.136 1.00 71.43 H new ATOM 0 HG22 VAL A 59 -3.138 1.950 -3.417 1.00 71.43 H new ATOM 0 HG23 VAL A 59 -2.923 2.392 -1.707 1.00 71.43 H new ATOM 995 N GLU A 60 -6.795 5.401 -3.560 1.00 40.00 N ATOM 996 CA GLU A 60 -8.080 6.117 -3.457 1.00 34.34 C ATOM 997 C GLU A 60 -9.212 5.247 -4.016 1.00 52.32 C ATOM 998 O GLU A 60 -8.971 4.374 -4.844 1.00 64.51 O ATOM 999 CB GLU A 60 -7.982 7.454 -4.239 1.00 41.13 C ATOM 1000 CG GLU A 60 -9.278 8.291 -4.287 1.00 32.52 C ATOM 1001 CD GLU A 60 -9.134 9.587 -5.092 1.00 24.14 C ATOM 1002 OE1 GLU A 60 -8.662 10.590 -4.524 1.00 23.10 O ATOM 1003 OE2 GLU A 60 -9.473 9.604 -6.299 1.00 60.34 O ATOM 0 H GLU A 60 -6.401 5.409 -4.501 1.00 40.00 H new ATOM 0 HA GLU A 60 -8.299 6.331 -2.411 1.00 34.34 H new ATOM 0 HB2 GLU A 60 -7.195 8.060 -3.791 1.00 41.13 H new ATOM 0 HB3 GLU A 60 -7.673 7.235 -5.261 1.00 41.13 H new ATOM 0 HG2 GLU A 60 -10.075 7.688 -4.722 1.00 32.52 H new ATOM 0 HG3 GLU A 60 -9.582 8.536 -3.269 1.00 32.52 H new ATOM 1010 N ARG A 61 -10.444 5.487 -3.549 1.00 31.34 N ATOM 1011 CA ARG A 61 -11.627 4.770 -4.047 1.00 32.05 C ATOM 1012 C ARG A 61 -12.129 5.355 -5.382 1.00 64.02 C ATOM 1013 O ARG A 61 -12.130 6.567 -5.580 1.00 11.23 O ATOM 1014 CB ARG A 61 -12.751 4.780 -2.981 1.00 44.23 C ATOM 1015 CG ARG A 61 -14.013 3.987 -3.392 1.00 30.25 C ATOM 1016 CD ARG A 61 -14.801 3.452 -2.195 1.00 23.05 C ATOM 1017 NE ARG A 61 -15.243 4.508 -1.269 1.00 34.32 N ATOM 1018 CZ ARG A 61 -15.552 4.310 0.027 1.00 32.55 C ATOM 1019 NH1 ARG A 61 -15.472 3.096 0.572 1.00 31.44 N ATOM 1020 NH2 ARG A 61 -15.946 5.332 0.771 1.00 53.22 N ATOM 0 H ARG A 61 -10.649 6.175 -2.824 1.00 31.34 H new ATOM 0 HA ARG A 61 -11.335 3.737 -4.237 1.00 32.05 H new ATOM 0 HB2 ARG A 61 -12.360 4.365 -2.052 1.00 44.23 H new ATOM 0 HB3 ARG A 61 -13.034 5.812 -2.775 1.00 44.23 H new ATOM 0 HG2 ARG A 61 -14.661 4.630 -3.988 1.00 30.25 H new ATOM 0 HG3 ARG A 61 -13.719 3.152 -4.029 1.00 30.25 H new ATOM 0 HD2 ARG A 61 -15.673 2.908 -2.557 1.00 23.05 H new ATOM 0 HD3 ARG A 61 -14.182 2.738 -1.652 1.00 23.05 H new ATOM 0 HE ARG A 61 -15.321 5.457 -1.635 1.00 34.32 H new ATOM 0 HH11 ARG A 61 -15.174 2.302 0.006 1.00 31.44 H new ATOM 0 HH12 ARG A 61 -15.709 2.962 1.555 1.00 31.44 H new ATOM 0 HH21 ARG A 61 -16.014 6.264 0.362 1.00 53.22 H new ATOM 0 HH22 ARG A 61 -16.181 5.187 1.753 1.00 53.22 H new ATOM 1034 N GLN A 62 -12.528 4.453 -6.283 1.00 74.40 N ATOM 1035 CA GLN A 62 -13.189 4.771 -7.551 1.00 55.21 C ATOM 1036 C GLN A 62 -14.484 3.946 -7.621 1.00 22.23 C ATOM 1037 O GLN A 62 -14.435 2.734 -7.860 1.00 74.22 O ATOM 1038 CB GLN A 62 -12.238 4.432 -8.731 1.00 42.41 C ATOM 1039 CG GLN A 62 -12.779 4.820 -10.125 1.00 1.03 C ATOM 1040 CD GLN A 62 -11.787 4.560 -11.265 1.00 1.45 C ATOM 1041 OE1 GLN A 62 -10.945 3.664 -11.187 1.00 10.41 O ATOM 1042 NE2 GLN A 62 -11.885 5.331 -12.337 1.00 75.41 N ATOM 0 H GLN A 62 -12.396 3.451 -6.146 1.00 74.40 H new ATOM 0 HA GLN A 62 -13.430 5.832 -7.617 1.00 55.21 H new ATOM 0 HB2 GLN A 62 -11.287 4.939 -8.571 1.00 42.41 H new ATOM 0 HB3 GLN A 62 -12.034 3.361 -8.720 1.00 42.41 H new ATOM 0 HG2 GLN A 62 -13.695 4.262 -10.318 1.00 1.03 H new ATOM 0 HG3 GLN A 62 -13.045 5.877 -10.121 1.00 1.03 H new ATOM 0 HE21 GLN A 62 -12.592 6.065 -12.374 1.00 75.41 H new ATOM 0 HE22 GLN A 62 -11.254 5.190 -13.126 1.00 75.41 H new ATOM 1051 N GLY A 63 -15.631 4.595 -7.373 1.00 62.25 N ATOM 1052 CA GLY A 63 -16.916 3.891 -7.271 1.00 4.02 C ATOM 1053 C GLY A 63 -16.983 3.024 -6.012 1.00 12.34 C ATOM 1054 O GLY A 63 -17.036 3.551 -4.897 1.00 71.14 O ATOM 0 H GLY A 63 -15.694 5.604 -7.240 1.00 62.25 H new ATOM 0 HA2 GLY A 63 -17.729 4.617 -7.258 1.00 4.02 H new ATOM 0 HA3 GLY A 63 -17.060 3.266 -8.152 1.00 4.02 H new ATOM 1058 N ASN A 64 -16.974 1.689 -6.191 1.00 40.01 N ATOM 1059 CA ASN A 64 -16.835 0.725 -5.073 1.00 13.43 C ATOM 1060 C ASN A 64 -15.399 0.184 -4.992 1.00 12.33 C ATOM 1061 O ASN A 64 -14.975 -0.306 -3.939 1.00 54.22 O ATOM 1062 CB ASN A 64 -17.843 -0.453 -5.218 1.00 32.52 C ATOM 1063 CG ASN A 64 -17.544 -1.396 -6.396 1.00 13.50 C ATOM 1064 OD1 ASN A 64 -18.002 -1.175 -7.515 1.00 71.14 O ATOM 1065 ND2 ASN A 64 -16.782 -2.458 -6.151 1.00 0.22 N ATOM 0 H ASN A 64 -17.062 1.247 -7.106 1.00 40.01 H new ATOM 0 HA ASN A 64 -17.060 1.258 -4.149 1.00 13.43 H new ATOM 0 HB2 ASN A 64 -17.843 -1.032 -4.295 1.00 32.52 H new ATOM 0 HB3 ASN A 64 -18.847 -0.045 -5.339 1.00 32.52 H new ATOM 0 HD21 ASN A 64 -16.564 -3.114 -6.901 1.00 0.22 H new ATOM 0 HD22 ASN A 64 -16.415 -2.617 -5.213 1.00 0.22 H new ATOM 1072 N THR A 65 -14.661 0.270 -6.117 1.00 62.24 N ATOM 1073 CA THR A 65 -13.328 -0.334 -6.253 1.00 23.31 C ATOM 1074 C THR A 65 -12.247 0.623 -5.729 1.00 24.41 C ATOM 1075 O THR A 65 -12.552 1.749 -5.347 1.00 31.24 O ATOM 1076 CB THR A 65 -13.054 -0.747 -7.743 1.00 14.25 C ATOM 1077 OG1 THR A 65 -13.252 0.363 -8.634 1.00 23.41 O ATOM 1078 CG2 THR A 65 -13.964 -1.901 -8.190 1.00 12.00 C ATOM 0 H THR A 65 -14.976 0.761 -6.954 1.00 62.24 H new ATOM 0 HA THR A 65 -13.294 -1.240 -5.648 1.00 23.31 H new ATOM 0 HB THR A 65 -12.015 -1.073 -7.787 1.00 14.25 H new ATOM 0 HG1 THR A 65 -13.539 1.147 -8.121 1.00 23.41 H new ATOM 0 HG21 THR A 65 -13.744 -2.158 -9.226 1.00 12.00 H new ATOM 0 HG22 THR A 65 -13.788 -2.770 -7.556 1.00 12.00 H new ATOM 0 HG23 THR A 65 -15.007 -1.596 -8.106 1.00 12.00 H new ATOM 1086 N TRP A 66 -10.992 0.159 -5.691 1.00 53.13 N ATOM 1087 CA TRP A 66 -9.848 0.935 -5.168 1.00 3.44 C ATOM 1088 C TRP A 66 -8.757 1.002 -6.246 1.00 20.10 C ATOM 1089 O TRP A 66 -8.590 0.049 -7.012 1.00 22.22 O ATOM 1090 CB TRP A 66 -9.317 0.280 -3.858 1.00 13.31 C ATOM 1091 CG TRP A 66 -10.357 0.250 -2.759 1.00 12.34 C ATOM 1092 CD1 TRP A 66 -11.242 -0.757 -2.487 1.00 63.32 C ATOM 1093 CD2 TRP A 66 -10.640 1.295 -1.813 1.00 30.21 C ATOM 1094 NE1 TRP A 66 -12.057 -0.404 -1.439 1.00 32.01 N ATOM 1095 CE2 TRP A 66 -11.699 0.847 -1.000 1.00 34.42 C ATOM 1096 CE3 TRP A 66 -10.085 2.558 -1.562 1.00 12.21 C ATOM 1097 CZ2 TRP A 66 -12.227 1.623 0.029 1.00 14.41 C ATOM 1098 CZ3 TRP A 66 -10.607 3.324 -0.538 1.00 71.11 C ATOM 1099 CH2 TRP A 66 -11.666 2.852 0.250 1.00 1.33 C ATOM 0 H TRP A 66 -10.734 -0.770 -6.023 1.00 53.13 H new ATOM 0 HA TRP A 66 -10.161 1.951 -4.926 1.00 3.44 H new ATOM 0 HB2 TRP A 66 -8.990 -0.738 -4.072 1.00 13.31 H new ATOM 0 HB3 TRP A 66 -8.442 0.829 -3.510 1.00 13.31 H new ATOM 0 HD1 TRP A 66 -11.293 -1.695 -3.020 1.00 63.32 H new ATOM 0 HE1 TRP A 66 -12.806 -0.977 -1.050 1.00 32.01 H new ATOM 0 HE3 TRP A 66 -9.264 2.926 -2.159 1.00 12.21 H new ATOM 0 HZ2 TRP A 66 -13.050 1.268 0.631 1.00 14.41 H new ATOM 0 HZ3 TRP A 66 -10.193 4.302 -0.341 1.00 71.11 H new ATOM 0 HH2 TRP A 66 -12.047 3.471 1.048 1.00 1.33 H new ATOM 1110 N THR A 67 -8.009 2.114 -6.284 1.00 25.42 N ATOM 1111 CA THR A 67 -7.072 2.413 -7.375 1.00 53.35 C ATOM 1112 C THR A 67 -5.840 3.166 -6.829 1.00 61.41 C ATOM 1113 O THR A 67 -5.971 4.080 -6.007 1.00 54.10 O ATOM 1114 CB THR A 67 -7.786 3.234 -8.513 1.00 30.11 C ATOM 1115 OG1 THR A 67 -6.904 3.413 -9.627 1.00 73.30 O ATOM 1116 CG2 THR A 67 -8.303 4.612 -8.038 1.00 13.12 C ATOM 0 H THR A 67 -8.037 2.831 -5.559 1.00 25.42 H new ATOM 0 HA THR A 67 -6.730 1.474 -7.810 1.00 53.35 H new ATOM 0 HB THR A 67 -8.656 2.649 -8.811 1.00 30.11 H new ATOM 0 HG1 THR A 67 -7.361 3.923 -10.328 1.00 73.30 H new ATOM 0 HG21 THR A 67 -8.784 5.126 -8.870 1.00 13.12 H new ATOM 0 HG22 THR A 67 -9.023 4.472 -7.232 1.00 13.12 H new ATOM 0 HG23 THR A 67 -7.466 5.210 -7.677 1.00 13.12 H new ATOM 1124 N VAL A 68 -4.644 2.749 -7.275 1.00 44.53 N ATOM 1125 CA VAL A 68 -3.359 3.307 -6.811 1.00 72.12 C ATOM 1126 C VAL A 68 -2.997 4.568 -7.611 1.00 75.13 C ATOM 1127 O VAL A 68 -3.022 4.557 -8.848 1.00 41.34 O ATOM 1128 CB VAL A 68 -2.208 2.233 -6.937 1.00 64.13 C ATOM 1129 CG1 VAL A 68 -0.801 2.820 -6.657 1.00 45.45 C ATOM 1130 CG2 VAL A 68 -2.498 1.033 -6.014 1.00 72.14 C ATOM 0 H VAL A 68 -4.539 2.011 -7.971 1.00 44.53 H new ATOM 0 HA VAL A 68 -3.466 3.580 -5.761 1.00 72.12 H new ATOM 0 HB VAL A 68 -2.197 1.895 -7.973 1.00 64.13 H new ATOM 0 HG11 VAL A 68 -0.052 2.034 -6.759 1.00 45.45 H new ATOM 0 HG12 VAL A 68 -0.591 3.617 -7.371 1.00 45.45 H new ATOM 0 HG13 VAL A 68 -0.769 3.222 -5.644 1.00 45.45 H new ATOM 0 HG21 VAL A 68 -1.698 0.299 -6.109 1.00 72.14 H new ATOM 0 HG22 VAL A 68 -2.556 1.375 -4.981 1.00 72.14 H new ATOM 0 HG23 VAL A 68 -3.446 0.576 -6.299 1.00 72.14 H new ATOM 1140 N LYS A 69 -2.660 5.646 -6.886 1.00 62.00 N ATOM 1141 CA LYS A 69 -2.189 6.901 -7.487 1.00 3.12 C ATOM 1142 C LYS A 69 -0.698 6.791 -7.821 1.00 10.42 C ATOM 1143 O LYS A 69 -0.283 7.073 -8.951 1.00 13.11 O ATOM 1144 CB LYS A 69 -2.441 8.093 -6.525 1.00 12.52 C ATOM 1145 CG LYS A 69 -3.921 8.314 -6.168 1.00 12.41 C ATOM 1146 CD LYS A 69 -4.804 8.553 -7.410 1.00 52.15 C ATOM 1147 CE LYS A 69 -6.258 8.833 -7.035 1.00 10.31 C ATOM 1148 NZ LYS A 69 -7.148 8.929 -8.224 1.00 50.14 N ATOM 0 H LYS A 69 -2.707 5.671 -5.867 1.00 62.00 H new ATOM 0 HA LYS A 69 -2.745 7.081 -8.407 1.00 3.12 H new ATOM 0 HB2 LYS A 69 -1.878 7.929 -5.606 1.00 12.52 H new ATOM 0 HB3 LYS A 69 -2.049 9.002 -6.981 1.00 12.52 H new ATOM 0 HG2 LYS A 69 -4.293 7.445 -5.625 1.00 12.41 H new ATOM 0 HG3 LYS A 69 -4.005 9.169 -5.498 1.00 12.41 H new ATOM 0 HD2 LYS A 69 -4.408 9.394 -7.979 1.00 52.15 H new ATOM 0 HD3 LYS A 69 -4.759 7.679 -8.060 1.00 52.15 H new ATOM 0 HE2 LYS A 69 -6.619 8.041 -6.379 1.00 10.31 H new ATOM 0 HE3 LYS A 69 -6.311 9.764 -6.470 1.00 10.31 H new ATOM 0 HZ1 LYS A 69 -8.112 9.170 -7.917 1.00 50.14 H new ATOM 0 HZ2 LYS A 69 -6.793 9.668 -8.864 1.00 50.14 H new ATOM 0 HZ3 LYS A 69 -7.161 8.016 -8.722 1.00 50.14 H new ATOM 1162 N ARG A 70 0.083 6.354 -6.823 1.00 22.11 N ATOM 1163 CA ARG A 70 1.544 6.227 -6.935 1.00 54.33 C ATOM 1164 C ARG A 70 2.100 5.447 -5.734 1.00 21.41 C ATOM 1165 O ARG A 70 1.392 5.209 -4.738 1.00 52.14 O ATOM 1166 CB ARG A 70 2.235 7.625 -7.024 1.00 52.13 C ATOM 1167 CG ARG A 70 2.282 8.409 -5.693 1.00 54.21 C ATOM 1168 CD ARG A 70 2.893 9.815 -5.835 1.00 64.50 C ATOM 1169 NE ARG A 70 3.195 10.407 -4.528 1.00 3.24 N ATOM 1170 CZ ARG A 70 2.300 10.832 -3.626 1.00 45.33 C ATOM 1171 NH1 ARG A 70 0.994 10.763 -3.850 1.00 22.12 N ATOM 1172 NH2 ARG A 70 2.738 11.283 -2.467 1.00 14.23 N ATOM 0 H ARG A 70 -0.282 6.077 -5.912 1.00 22.11 H new ATOM 0 HA ARG A 70 1.761 5.683 -7.854 1.00 54.33 H new ATOM 0 HB2 ARG A 70 3.254 7.489 -7.386 1.00 52.13 H new ATOM 0 HB3 ARG A 70 1.711 8.227 -7.766 1.00 52.13 H new ATOM 0 HG2 ARG A 70 1.271 8.498 -5.296 1.00 54.21 H new ATOM 0 HG3 ARG A 70 2.861 7.841 -4.965 1.00 54.21 H new ATOM 0 HD2 ARG A 70 3.805 9.758 -6.429 1.00 64.50 H new ATOM 0 HD3 ARG A 70 2.201 10.460 -6.376 1.00 64.50 H new ATOM 0 HE ARG A 70 4.180 10.505 -4.282 1.00 3.24 H new ATOM 0 HH11 ARG A 70 0.647 10.378 -4.729 1.00 22.12 H new ATOM 0 HH12 ARG A 70 0.337 11.095 -3.144 1.00 22.12 H new ATOM 0 HH21 ARG A 70 3.739 11.303 -2.273 1.00 14.23 H new ATOM 0 HH22 ARG A 70 2.076 11.612 -1.765 1.00 14.23 H new ATOM 1186 N ILE A 71 3.371 5.048 -5.856 1.00 42.24 N ATOM 1187 CA ILE A 71 4.136 4.412 -4.780 1.00 24.30 C ATOM 1188 C ILE A 71 5.333 5.305 -4.428 1.00 60.35 C ATOM 1189 O ILE A 71 6.271 5.438 -5.221 1.00 33.34 O ATOM 1190 CB ILE A 71 4.635 2.987 -5.203 1.00 55.34 C ATOM 1191 CG1 ILE A 71 3.428 2.068 -5.560 1.00 74.33 C ATOM 1192 CG2 ILE A 71 5.518 2.362 -4.102 1.00 63.21 C ATOM 1193 CD1 ILE A 71 3.800 0.664 -5.969 1.00 61.12 C ATOM 0 H ILE A 71 3.904 5.160 -6.718 1.00 42.24 H new ATOM 0 HA ILE A 71 3.489 4.292 -3.911 1.00 24.30 H new ATOM 0 HB ILE A 71 5.252 3.089 -6.096 1.00 55.34 H new ATOM 0 HG12 ILE A 71 2.762 2.016 -4.699 1.00 74.33 H new ATOM 0 HG13 ILE A 71 2.865 2.530 -6.371 1.00 74.33 H new ATOM 0 HG21 ILE A 71 5.851 1.374 -4.420 1.00 63.21 H new ATOM 0 HG22 ILE A 71 6.385 2.998 -3.926 1.00 63.21 H new ATOM 0 HG23 ILE A 71 4.942 2.272 -3.181 1.00 63.21 H new ATOM 0 HD11 ILE A 71 2.896 0.100 -6.198 1.00 61.12 H new ATOM 0 HD12 ILE A 71 4.439 0.699 -6.851 1.00 61.12 H new ATOM 0 HD13 ILE A 71 4.334 0.177 -5.153 1.00 61.12 H new ATOM 1205 N THR A 72 5.284 5.937 -3.253 1.00 42.53 N ATOM 1206 CA THR A 72 6.367 6.801 -2.766 1.00 14.22 C ATOM 1207 C THR A 72 7.188 6.054 -1.713 1.00 41.42 C ATOM 1208 O THR A 72 6.628 5.569 -0.728 1.00 32.42 O ATOM 1209 CB THR A 72 5.794 8.115 -2.140 1.00 5.21 C ATOM 1210 OG1 THR A 72 4.923 8.755 -3.082 1.00 13.54 O ATOM 1211 CG2 THR A 72 6.908 9.097 -1.741 1.00 44.15 C ATOM 0 H THR A 72 4.494 5.866 -2.611 1.00 42.53 H new ATOM 0 HA THR A 72 7.001 7.065 -3.612 1.00 14.22 H new ATOM 0 HB THR A 72 5.248 7.838 -1.238 1.00 5.21 H new ATOM 0 HG1 THR A 72 4.024 8.827 -2.699 1.00 13.54 H new ATOM 0 HG21 THR A 72 6.465 9.995 -1.311 1.00 44.15 H new ATOM 0 HG22 THR A 72 7.561 8.627 -1.006 1.00 44.15 H new ATOM 0 HG23 THR A 72 7.489 9.366 -2.623 1.00 44.15 H new ATOM 1219 N ARG A 73 8.505 5.947 -1.926 1.00 32.53 N ATOM 1220 CA ARG A 73 9.421 5.423 -0.905 1.00 60.43 C ATOM 1221 C ARG A 73 9.782 6.565 0.070 1.00 25.41 C ATOM 1222 O ARG A 73 9.842 7.738 -0.333 1.00 23.15 O ATOM 1223 CB ARG A 73 10.702 4.842 -1.568 1.00 44.13 C ATOM 1224 CG ARG A 73 11.623 4.060 -0.600 1.00 71.33 C ATOM 1225 CD ARG A 73 12.935 3.597 -1.261 1.00 45.11 C ATOM 1226 NE ARG A 73 13.775 4.735 -1.674 1.00 61.32 N ATOM 1227 CZ ARG A 73 15.056 4.650 -2.082 1.00 13.22 C ATOM 1228 NH1 ARG A 73 15.688 3.476 -2.148 1.00 31.24 N ATOM 1229 NH2 ARG A 73 15.716 5.758 -2.390 1.00 74.32 N ATOM 0 H ARG A 73 8.961 6.217 -2.798 1.00 32.53 H new ATOM 0 HA ARG A 73 8.936 4.615 -0.357 1.00 60.43 H new ATOM 0 HB2 ARG A 73 10.407 4.181 -2.383 1.00 44.13 H new ATOM 0 HB3 ARG A 73 11.271 5.660 -2.010 1.00 44.13 H new ATOM 0 HG2 ARG A 73 11.857 4.690 0.258 1.00 71.33 H new ATOM 0 HG3 ARG A 73 11.087 3.190 -0.220 1.00 71.33 H new ATOM 0 HD2 ARG A 73 13.491 2.970 -0.564 1.00 45.11 H new ATOM 0 HD3 ARG A 73 12.706 2.981 -2.131 1.00 45.11 H new ATOM 0 HE ARG A 73 13.352 5.663 -1.649 1.00 61.32 H new ATOM 0 HH11 ARG A 73 15.201 2.619 -1.886 1.00 31.24 H new ATOM 0 HH12 ARG A 73 16.658 3.436 -2.460 1.00 31.24 H new ATOM 0 HH21 ARG A 73 15.253 6.664 -2.317 1.00 74.32 H new ATOM 0 HH22 ARG A 73 16.686 5.704 -2.700 1.00 74.32 H new ATOM 1243 N THR A 74 9.992 6.217 1.349 1.00 3.55 N ATOM 1244 CA THR A 74 10.488 7.158 2.365 1.00 54.52 C ATOM 1245 C THR A 74 11.917 7.622 2.015 1.00 23.01 C ATOM 1246 O THR A 74 12.666 6.887 1.342 1.00 1.02 O ATOM 1247 CB THR A 74 10.487 6.496 3.782 1.00 24.22 C ATOM 1248 OG1 THR A 74 10.892 7.448 4.781 1.00 34.05 O ATOM 1249 CG2 THR A 74 11.409 5.260 3.859 1.00 14.21 C ATOM 0 H THR A 74 9.823 5.277 1.707 1.00 3.55 H new ATOM 0 HA THR A 74 9.822 8.021 2.378 1.00 54.52 H new ATOM 0 HB THR A 74 9.465 6.165 3.970 1.00 24.22 H new ATOM 0 HG1 THR A 74 10.885 7.020 5.663 1.00 34.05 H new ATOM 0 HG21 THR A 74 11.371 4.840 4.864 1.00 14.21 H new ATOM 0 HG22 THR A 74 11.076 4.512 3.140 1.00 14.21 H new ATOM 0 HG23 THR A 74 12.433 5.555 3.628 1.00 14.21 H new ATOM 1257 N VAL A 75 12.287 8.843 2.450 1.00 55.34 N ATOM 1258 CA VAL A 75 13.664 9.331 2.308 1.00 53.11 C ATOM 1259 C VAL A 75 14.603 8.432 3.156 1.00 14.25 C ATOM 1260 O VAL A 75 14.522 8.383 4.392 1.00 41.33 O ATOM 1261 CB VAL A 75 13.805 10.864 2.660 1.00 63.30 C ATOM 1262 CG1 VAL A 75 13.302 11.201 4.082 1.00 33.54 C ATOM 1263 CG2 VAL A 75 15.257 11.359 2.432 1.00 43.31 C ATOM 0 H VAL A 75 11.652 9.503 2.900 1.00 55.34 H new ATOM 0 HA VAL A 75 13.959 9.260 1.261 1.00 53.11 H new ATOM 0 HB VAL A 75 13.154 11.405 1.973 1.00 63.30 H new ATOM 0 HG11 VAL A 75 13.424 12.268 4.268 1.00 33.54 H new ATOM 0 HG12 VAL A 75 12.248 10.936 4.168 1.00 33.54 H new ATOM 0 HG13 VAL A 75 13.879 10.637 4.815 1.00 33.54 H new ATOM 0 HG21 VAL A 75 15.324 12.418 2.682 1.00 43.31 H new ATOM 0 HG22 VAL A 75 15.938 10.792 3.066 1.00 43.31 H new ATOM 0 HG23 VAL A 75 15.530 11.215 1.387 1.00 43.31 H new ATOM 1273 N GLY A 76 15.419 7.669 2.435 1.00 44.43 N ATOM 1274 CA GLY A 76 16.248 6.601 2.994 1.00 12.43 C ATOM 1275 C GLY A 76 16.569 5.577 1.916 1.00 10.12 C ATOM 1276 O GLY A 76 15.769 5.409 0.985 1.00 74.44 O ATOM 0 H GLY A 76 15.526 7.776 1.426 1.00 44.43 H new ATOM 0 HA2 GLY A 76 17.170 7.018 3.398 1.00 12.43 H new ATOM 0 HA3 GLY A 76 15.727 6.120 3.822 1.00 12.43 H new ATOM 1280 N SER A 77 17.742 4.916 2.032 1.00 21.01 N ATOM 1281 CA SER A 77 18.234 3.927 1.043 1.00 74.40 C ATOM 1282 C SER A 77 18.518 4.616 -0.322 1.00 14.44 C ATOM 1283 O SER A 77 18.399 4.003 -1.395 1.00 54.45 O ATOM 1284 CB SER A 77 17.222 2.743 0.927 1.00 53.11 C ATOM 1285 OG SER A 77 17.753 1.641 0.207 1.00 22.15 O ATOM 0 H SER A 77 18.378 5.053 2.817 1.00 21.01 H new ATOM 0 HA SER A 77 19.182 3.508 1.382 1.00 74.40 H new ATOM 0 HB2 SER A 77 16.935 2.415 1.926 1.00 53.11 H new ATOM 0 HB3 SER A 77 16.315 3.092 0.433 1.00 53.11 H new ATOM 0 HG SER A 77 17.055 1.257 -0.364 1.00 22.15 H new ATOM 1291 N LEU A 78 18.943 5.899 -0.255 1.00 45.11 N ATOM 1292 CA LEU A 78 19.242 6.724 -1.446 1.00 53.23 C ATOM 1293 C LEU A 78 20.700 7.213 -1.406 1.00 63.42 C ATOM 1294 O LEU A 78 21.455 6.888 -0.471 1.00 22.40 O ATOM 1295 CB LEU A 78 18.254 7.939 -1.573 1.00 45.22 C ATOM 1296 CG LEU A 78 18.473 9.186 -0.631 1.00 23.13 C ATOM 1297 CD1 LEU A 78 17.607 10.388 -1.073 1.00 33.03 C ATOM 1298 CD2 LEU A 78 18.202 8.857 0.845 1.00 1.13 C ATOM 0 H LEU A 78 19.088 6.390 0.627 1.00 45.11 H new ATOM 0 HA LEU A 78 19.105 6.097 -2.327 1.00 53.23 H new ATOM 0 HB2 LEU A 78 18.292 8.291 -2.604 1.00 45.22 H new ATOM 0 HB3 LEU A 78 17.245 7.566 -1.400 1.00 45.22 H new ATOM 0 HG LEU A 78 19.524 9.458 -0.725 1.00 23.13 H new ATOM 0 HD11 LEU A 78 17.783 11.229 -0.402 1.00 33.03 H new ATOM 0 HD12 LEU A 78 17.873 10.673 -2.091 1.00 33.03 H new ATOM 0 HD13 LEU A 78 16.554 10.110 -1.038 1.00 33.03 H new ATOM 0 HD21 LEU A 78 18.366 9.747 1.452 1.00 1.13 H new ATOM 0 HD22 LEU A 78 17.170 8.525 0.960 1.00 1.13 H new ATOM 0 HD23 LEU A 78 18.877 8.066 1.171 1.00 1.13 H new ATOM 1310 N GLU A 79 21.096 7.971 -2.445 1.00 22.21 N ATOM 1311 CA GLU A 79 22.405 8.632 -2.496 1.00 63.20 C ATOM 1312 C GLU A 79 22.450 9.785 -1.475 1.00 32.24 C ATOM 1313 O GLU A 79 21.635 10.718 -1.551 1.00 11.30 O ATOM 1314 CB GLU A 79 22.700 9.162 -3.933 1.00 50.14 C ATOM 1315 CG GLU A 79 24.033 9.941 -4.079 1.00 43.12 C ATOM 1316 CD GLU A 79 24.286 10.482 -5.500 1.00 21.01 C ATOM 1317 OE1 GLU A 79 23.544 11.390 -5.936 1.00 42.13 O ATOM 1318 OE2 GLU A 79 25.222 10.007 -6.186 1.00 4.01 O ATOM 0 H GLU A 79 20.517 8.140 -3.268 1.00 22.21 H new ATOM 0 HA GLU A 79 23.175 7.904 -2.240 1.00 63.20 H new ATOM 0 HB2 GLU A 79 22.712 8.317 -4.621 1.00 50.14 H new ATOM 0 HB3 GLU A 79 21.881 9.812 -4.241 1.00 50.14 H new ATOM 0 HG2 GLU A 79 24.034 10.775 -3.377 1.00 43.12 H new ATOM 0 HG3 GLU A 79 24.858 9.287 -3.797 1.00 43.12 H new ATOM 1325 N HIS A 80 23.376 9.694 -0.499 1.00 60.41 N ATOM 1326 CA HIS A 80 23.682 10.816 0.407 1.00 75.43 C ATOM 1327 C HIS A 80 24.429 11.895 -0.394 1.00 11.11 C ATOM 1328 O HIS A 80 25.640 11.783 -0.617 1.00 14.52 O ATOM 1329 CB HIS A 80 24.534 10.354 1.614 1.00 14.11 C ATOM 1330 CG HIS A 80 23.833 9.416 2.563 1.00 1.15 C ATOM 1331 ND1 HIS A 80 24.183 8.090 2.710 1.00 64.40 N ATOM 1332 CD2 HIS A 80 22.832 9.634 3.451 1.00 12.01 C ATOM 1333 CE1 HIS A 80 23.435 7.537 3.644 1.00 34.04 C ATOM 1334 NE2 HIS A 80 22.610 8.451 4.107 1.00 32.12 N ATOM 0 H HIS A 80 23.925 8.853 -0.319 1.00 60.41 H new ATOM 0 HA HIS A 80 22.751 11.218 0.807 1.00 75.43 H new ATOM 0 HB2 HIS A 80 25.433 9.864 1.240 1.00 14.11 H new ATOM 0 HB3 HIS A 80 24.858 11.234 2.169 1.00 14.11 H new ATOM 0 HD2 HIS A 80 22.308 10.565 3.611 1.00 12.01 H new ATOM 0 HE1 HIS A 80 23.490 6.510 3.973 1.00 34.04 H new ATOM 0 HE2 HIS A 80 21.915 8.303 4.839 1.00 32.12 H new ATOM 1343 N HIS A 81 23.680 12.907 -0.867 1.00 0.30 N ATOM 1344 CA HIS A 81 24.220 13.987 -1.708 1.00 51.34 C ATOM 1345 C HIS A 81 25.190 14.866 -0.903 1.00 71.12 C ATOM 1346 O HIS A 81 24.814 15.410 0.143 1.00 64.55 O ATOM 1347 CB HIS A 81 23.062 14.838 -2.300 1.00 11.12 C ATOM 1348 CG HIS A 81 22.279 14.136 -3.387 1.00 40.53 C ATOM 1349 ND1 HIS A 81 21.426 13.081 -3.144 1.00 55.35 N ATOM 1350 CD2 HIS A 81 22.244 14.335 -4.729 1.00 24.23 C ATOM 1351 CE1 HIS A 81 20.908 12.663 -4.281 1.00 15.24 C ATOM 1352 NE2 HIS A 81 21.388 13.402 -5.261 1.00 31.52 N ATOM 0 H HIS A 81 22.682 12.998 -0.676 1.00 0.30 H new ATOM 0 HA HIS A 81 24.775 13.542 -2.533 1.00 51.34 H new ATOM 0 HB2 HIS A 81 22.380 15.115 -1.496 1.00 11.12 H new ATOM 0 HB3 HIS A 81 23.473 15.764 -2.702 1.00 11.12 H new ATOM 0 HD1 HIS A 81 21.227 12.685 -2.225 1.00 55.35 H new ATOM 0 HD2 HIS A 81 22.789 15.089 -5.278 1.00 24.23 H new ATOM 0 HE1 HIS A 81 20.206 11.850 -4.392 1.00 15.24 H new ATOM 1361 N HIS A 82 26.446 14.969 -1.383 1.00 40.34 N ATOM 1362 CA HIS A 82 27.462 15.855 -0.778 1.00 51.21 C ATOM 1363 C HIS A 82 27.043 17.317 -1.014 1.00 15.41 C ATOM 1364 O HIS A 82 27.129 18.170 -0.121 1.00 12.14 O ATOM 1365 CB HIS A 82 28.869 15.607 -1.387 1.00 35.02 C ATOM 1366 CG HIS A 82 29.363 14.186 -1.318 1.00 12.34 C ATOM 1367 ND1 HIS A 82 30.066 13.589 -2.345 1.00 11.21 N ATOM 1368 CD2 HIS A 82 29.281 13.256 -0.339 1.00 60.11 C ATOM 1369 CE1 HIS A 82 30.389 12.359 -2.002 1.00 5.55 C ATOM 1370 NE2 HIS A 82 29.926 12.128 -0.788 1.00 75.01 N ATOM 0 H HIS A 82 26.782 14.447 -2.192 1.00 40.34 H new ATOM 0 HA HIS A 82 27.522 15.642 0.289 1.00 51.21 H new ATOM 0 HB2 HIS A 82 28.854 15.918 -2.432 1.00 35.02 H new ATOM 0 HB3 HIS A 82 29.586 16.248 -0.874 1.00 35.02 H new ATOM 0 HD2 HIS A 82 28.798 13.377 0.619 1.00 60.11 H new ATOM 0 HE1 HIS A 82 30.940 11.658 -2.611 1.00 5.55 H new ATOM 0 HE2 HIS A 82 30.030 11.256 -0.269 1.00 75.01 H new ATOM 1379 N HIS A 83 26.560 17.558 -2.240 1.00 21.01 N ATOM 1380 CA HIS A 83 26.029 18.851 -2.699 1.00 54.24 C ATOM 1381 C HIS A 83 25.127 18.611 -3.931 1.00 14.52 C ATOM 1382 O HIS A 83 24.806 17.458 -4.246 1.00 25.20 O ATOM 1383 CB HIS A 83 27.199 19.830 -3.013 1.00 73.24 C ATOM 1384 CG HIS A 83 28.163 19.362 -4.078 1.00 43.25 C ATOM 1385 ND1 HIS A 83 29.339 18.693 -3.793 1.00 53.15 N ATOM 1386 CD2 HIS A 83 28.130 19.480 -5.434 1.00 3.21 C ATOM 1387 CE1 HIS A 83 29.977 18.426 -4.916 1.00 75.24 C ATOM 1388 NE2 HIS A 83 29.266 18.888 -5.922 1.00 64.00 N ATOM 0 H HIS A 83 26.526 16.838 -2.962 1.00 21.01 H new ATOM 0 HA HIS A 83 25.427 19.313 -1.917 1.00 54.24 H new ATOM 0 HB2 HIS A 83 26.778 20.787 -3.322 1.00 73.24 H new ATOM 0 HB3 HIS A 83 27.757 20.010 -2.094 1.00 73.24 H new ATOM 0 HD2 HIS A 83 27.353 19.952 -6.017 1.00 3.21 H new ATOM 0 HE1 HIS A 83 30.924 17.914 -4.996 1.00 75.24 H new ATOM 0 HE2 HIS A 83 29.520 18.817 -6.907 1.00 64.00 H new ATOM 1397 N HIS A 84 24.710 19.701 -4.606 1.00 3.02 N ATOM 1398 CA HIS A 84 23.946 19.637 -5.872 1.00 12.00 C ATOM 1399 C HIS A 84 24.046 21.003 -6.592 1.00 32.33 C ATOM 1400 O HIS A 84 23.530 22.007 -6.093 1.00 34.12 O ATOM 1401 CB HIS A 84 22.462 19.207 -5.628 1.00 33.15 C ATOM 1402 CG HIS A 84 21.678 20.090 -4.687 1.00 51.24 C ATOM 1403 ND1 HIS A 84 20.732 20.997 -5.113 1.00 44.43 N ATOM 1404 CD2 HIS A 84 21.709 20.197 -3.335 1.00 21.55 C ATOM 1405 CE1 HIS A 84 20.223 21.624 -4.071 1.00 35.14 C ATOM 1406 NE2 HIS A 84 20.795 21.160 -2.980 1.00 61.13 N ATOM 0 H HIS A 84 24.893 20.653 -4.289 1.00 3.02 H new ATOM 0 HA HIS A 84 24.379 18.871 -6.515 1.00 12.00 H new ATOM 0 HB2 HIS A 84 21.947 19.180 -6.588 1.00 33.15 H new ATOM 0 HB3 HIS A 84 22.456 18.190 -5.235 1.00 33.15 H new ATOM 0 HD2 HIS A 84 22.336 19.630 -2.662 1.00 21.55 H new ATOM 0 HE1 HIS A 84 19.463 22.391 -4.107 1.00 35.14 H new ATOM 0 HE2 HIS A 84 20.593 21.465 -2.028 1.00 61.13 H new ATOM 1415 N HIS A 85 24.758 21.045 -7.743 1.00 42.44 N ATOM 1416 CA HIS A 85 25.035 22.306 -8.472 1.00 14.22 C ATOM 1417 C HIS A 85 23.743 22.850 -9.149 1.00 12.45 C ATOM 1418 O HIS A 85 23.135 22.132 -9.976 1.00 73.33 O ATOM 1419 CB HIS A 85 26.220 22.146 -9.490 1.00 45.55 C ATOM 1420 CG HIS A 85 26.084 21.045 -10.522 1.00 61.22 C ATOM 1421 ND1 HIS A 85 26.605 19.782 -10.345 1.00 11.43 N ATOM 1422 CD2 HIS A 85 25.498 21.025 -11.754 1.00 74.42 C ATOM 1423 CE1 HIS A 85 26.343 19.040 -11.406 1.00 11.25 C ATOM 1424 NE2 HIS A 85 25.675 19.767 -12.271 1.00 21.11 N ATOM 1425 OXT HIS A 85 23.335 23.991 -8.836 1.00 37.67 O ATOM 0 H HIS A 85 25.152 20.216 -8.188 1.00 42.44 H new ATOM 0 HA HIS A 85 25.358 23.049 -7.743 1.00 14.22 H new ATOM 0 HB2 HIS A 85 26.347 23.092 -10.016 1.00 45.55 H new ATOM 0 HB3 HIS A 85 27.135 21.971 -8.923 1.00 45.55 H new ATOM 0 HD2 HIS A 85 24.989 21.848 -12.234 1.00 74.42 H new ATOM 0 HE1 HIS A 85 26.630 18.008 -11.539 1.00 11.25 H new ATOM 0 HE2 HIS A 85 25.341 19.448 -13.181 1.00 21.11 H new TER 1434 HIS A 85