USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 941 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 9 LYS NZ :NH3+ -145:sc= 0.849 (180deg=0.236) USER MOD Set 1.2: A 105 TYR OH : rot 130:sc= 0.466 USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0729 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 53:sc= 1.12 USER MOD Single : A 8 SER OG : rot 38:sc= 1.11 USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -134:sc= -1.7 (180deg=-4.28!) USER MOD Single : A 15 LYS NZ :NH3+ -162:sc= -0.64 (180deg=-1.38!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.196 USER MOD Single : A 27 ASN : amide:sc= -3.38 X(o=-3.4,f=-3.8!) USER MOD Single : A 31 HIS : no HD1:sc= -0.125 K(o=-0.13,f=-1.1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.42 USER MOD Single : A 46 SER OG : rot 180:sc= -0.0689 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 107:sc= -0.0521 USER MOD Single : A 50 SER OG : rot 180:sc= 0.00223 USER MOD Single : A 52 SER OG : rot -101:sc= 1.24 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= -1.45 USER MOD Single : A 70 LYS NZ :NH3+ 156:sc= -1.05 (180deg=-2.32!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0364 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl -148:sc= -2.05 (180deg=-4.07!) USER MOD Single : A 88 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-0.31) USER MOD Single : A 90 HIS : no HD1:sc= -0.563 X(o=-0.56,f=-0.49) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.24) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 49:sc= 0.226 USER MOD Single : A 110 MET CE :methyl -130:sc= -2.03 (180deg=-9.02!) USER MOD Single : A 112 SER OG : rot 180:sc= 0.0896 USER MOD Single : A 114 TYR OH : rot 53:sc= 0.498 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 119 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc=-0.000932 X(o=-0.00093,f=0) USER MOD Single : A 126 LYS NZ :NH3+ 149:sc= -0.417 (180deg=-1.25!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.790 6.980 8.751 1.00 61.14 N ATOM 2 CA GLY A 1 -0.645 6.952 8.969 1.00 32.12 C ATOM 3 C GLY A 1 -1.402 6.415 7.770 1.00 34.20 C ATOM 4 O GLY A 1 -0.835 6.180 6.704 1.00 34.12 O ATOM 0 H1 GLY A 1 1.244 6.247 9.333 1.00 61.14 H new ATOM 0 H2 GLY A 1 0.992 6.799 7.747 1.00 61.14 H new ATOM 0 H3 GLY A 1 1.163 7.914 9.017 1.00 61.14 H new ATOM 0 HA2 GLY A 1 -0.865 6.335 9.840 1.00 32.12 H new ATOM 0 HA3 GLY A 1 -0.995 7.959 9.195 1.00 32.12 H new ATOM 8 N PRO A 2 -2.717 6.211 7.940 1.00 40.13 N ATOM 9 CA PRO A 2 -3.582 5.695 6.875 1.00 12.23 C ATOM 10 C PRO A 2 -3.784 6.705 5.751 1.00 60.11 C ATOM 11 O PRO A 2 -4.314 6.373 4.690 1.00 13.32 O ATOM 12 CB PRO A 2 -4.906 5.422 7.594 1.00 65.30 C ATOM 13 CG PRO A 2 -4.899 6.346 8.763 1.00 53.50 C ATOM 14 CD PRO A 2 -3.461 6.470 9.184 1.00 2.22 C ATOM 0 HA PRO A 2 -3.154 4.816 6.393 1.00 12.23 H new ATOM 0 HB2 PRO A 2 -5.758 5.615 6.942 1.00 65.30 H new ATOM 0 HB3 PRO A 2 -4.977 4.382 7.912 1.00 65.30 H new ATOM 0 HG2 PRO A 2 -5.312 7.318 8.494 1.00 53.50 H new ATOM 0 HG3 PRO A 2 -5.511 5.953 9.575 1.00 53.50 H new ATOM 0 HD2 PRO A 2 -3.243 7.461 9.583 1.00 2.22 H new ATOM 0 HD3 PRO A 2 -3.207 5.750 9.962 1.00 2.22 H new ATOM 22 N THR A 3 -3.358 7.942 5.989 1.00 14.22 N ATOM 23 CA THR A 3 -3.492 9.001 4.998 1.00 30.12 C ATOM 24 C THR A 3 -2.147 9.654 4.705 1.00 52.42 C ATOM 25 O THR A 3 -1.302 9.783 5.590 1.00 64.13 O ATOM 26 CB THR A 3 -4.485 10.083 5.463 1.00 60.14 C ATOM 27 OG1 THR A 3 -4.019 10.687 6.675 1.00 65.23 O ATOM 28 CG2 THR A 3 -5.869 9.490 5.685 1.00 54.24 C ATOM 0 H THR A 3 -2.917 8.234 6.861 1.00 14.22 H new ATOM 0 HA THR A 3 -3.872 8.536 4.088 1.00 30.12 H new ATOM 0 HB THR A 3 -4.554 10.841 4.683 1.00 60.14 H new ATOM 0 HG1 THR A 3 -4.655 11.375 6.963 1.00 65.23 H new ATOM 0 HG21 THR A 3 -6.552 10.273 6.013 1.00 54.24 H new ATOM 0 HG22 THR A 3 -6.233 9.057 4.753 1.00 54.24 H new ATOM 0 HG23 THR A 3 -5.814 8.714 6.448 1.00 54.24 H new ATOM 36 N GLY A 4 -1.954 10.067 3.456 1.00 41.43 N ATOM 37 CA GLY A 4 -0.708 10.703 3.068 1.00 44.14 C ATOM 38 C GLY A 4 -0.097 10.076 1.830 1.00 45.21 C ATOM 39 O GLY A 4 -0.555 9.033 1.362 1.00 55.11 O ATOM 0 H GLY A 4 -2.638 9.973 2.706 1.00 41.43 H new ATOM 0 HA2 GLY A 4 -0.886 11.763 2.884 1.00 44.14 H new ATOM 0 HA3 GLY A 4 0.002 10.637 3.893 1.00 44.14 H new ATOM 43 N THR A 5 0.941 10.712 1.297 1.00 31.41 N ATOM 44 CA THR A 5 1.613 10.214 0.104 1.00 22.34 C ATOM 45 C THR A 5 2.111 8.788 0.311 1.00 31.32 C ATOM 46 O THR A 5 3.149 8.565 0.934 1.00 14.22 O ATOM 47 CB THR A 5 2.804 11.109 -0.285 1.00 73.45 C ATOM 48 OG1 THR A 5 3.799 11.079 0.744 1.00 5.02 O ATOM 49 CG2 THR A 5 2.350 12.543 -0.516 1.00 64.33 C ATOM 0 H THR A 5 1.335 11.574 1.673 1.00 31.41 H new ATOM 0 HA THR A 5 0.879 10.228 -0.702 1.00 22.34 H new ATOM 0 HB THR A 5 3.230 10.724 -1.212 1.00 73.45 H new ATOM 0 HG1 THR A 5 4.030 10.149 0.948 1.00 5.02 H new ATOM 0 HG21 THR A 5 3.208 13.157 -0.790 1.00 64.33 H new ATOM 0 HG22 THR A 5 1.615 12.567 -1.321 1.00 64.33 H new ATOM 0 HG23 THR A 5 1.901 12.934 0.397 1.00 64.33 H new ATOM 57 N GLY A 6 1.366 7.822 -0.217 1.00 71.40 N ATOM 58 CA GLY A 6 1.748 6.429 -0.081 1.00 40.22 C ATOM 59 C GLY A 6 2.251 5.835 -1.382 1.00 10.15 C ATOM 60 O GLY A 6 2.225 4.620 -1.567 1.00 53.20 O ATOM 0 H GLY A 6 0.503 7.980 -0.737 1.00 71.40 H new ATOM 0 HA2 GLY A 6 2.524 6.341 0.679 1.00 40.22 H new ATOM 0 HA3 GLY A 6 0.892 5.853 0.270 1.00 40.22 H new ATOM 64 N GLU A 7 2.707 6.697 -2.286 1.00 40.40 N ATOM 65 CA GLU A 7 3.215 6.249 -3.577 1.00 12.15 C ATOM 66 C GLU A 7 4.604 6.823 -3.844 1.00 51.21 C ATOM 67 O GLU A 7 5.020 6.960 -4.994 1.00 21.41 O ATOM 68 CB GLU A 7 2.257 6.661 -4.698 1.00 43.22 C ATOM 69 CG GLU A 7 2.457 5.883 -5.987 1.00 35.11 C ATOM 70 CD GLU A 7 1.354 6.132 -6.997 1.00 70.21 C ATOM 71 OE1 GLU A 7 1.100 7.311 -7.319 1.00 64.44 O ATOM 72 OE2 GLU A 7 0.745 5.147 -7.465 1.00 72.12 O1- ATOM 0 H GLU A 7 2.735 7.707 -2.148 1.00 40.40 H new ATOM 0 HA GLU A 7 3.288 5.162 -3.552 1.00 12.15 H new ATOM 0 HB2 GLU A 7 1.231 6.524 -4.356 1.00 43.22 H new ATOM 0 HB3 GLU A 7 2.386 7.724 -4.902 1.00 43.22 H new ATOM 0 HG2 GLU A 7 3.416 6.157 -6.427 1.00 35.11 H new ATOM 0 HG3 GLU A 7 2.503 4.818 -5.760 1.00 35.11 H new ATOM 79 N SER A 8 5.316 7.155 -2.773 1.00 30.32 N ATOM 80 CA SER A 8 6.656 7.717 -2.889 1.00 50.54 C ATOM 81 C SER A 8 7.373 7.698 -1.543 1.00 74.54 C ATOM 82 O SER A 8 6.805 7.293 -0.529 1.00 32.03 O ATOM 83 CB SER A 8 6.586 9.150 -3.422 1.00 2.22 C ATOM 84 OG SER A 8 6.616 9.169 -4.839 1.00 41.42 O ATOM 0 H SER A 8 4.987 7.044 -1.814 1.00 30.32 H new ATOM 0 HA SER A 8 7.221 7.102 -3.590 1.00 50.54 H new ATOM 0 HB2 SER A 8 5.673 9.629 -3.068 1.00 2.22 H new ATOM 0 HB3 SER A 8 7.422 9.729 -3.030 1.00 2.22 H new ATOM 0 HG SER A 8 6.096 8.415 -5.187 1.00 41.42 H new ATOM 90 N LYS A 9 8.626 8.141 -1.540 1.00 25.14 N ATOM 91 CA LYS A 9 9.422 8.177 -0.319 1.00 4.14 C ATOM 92 C LYS A 9 10.607 9.125 -0.472 1.00 50.55 C ATOM 93 O LYS A 9 10.887 9.614 -1.567 1.00 2.11 O ATOM 94 CB LYS A 9 9.921 6.773 0.030 1.00 2.34 C ATOM 95 CG LYS A 9 10.621 6.071 -1.122 1.00 10.32 C ATOM 96 CD LYS A 9 9.647 5.243 -1.943 1.00 40.34 C ATOM 97 CE LYS A 9 9.634 5.680 -3.399 1.00 14.34 C ATOM 98 NZ LYS A 9 10.443 4.773 -4.259 1.00 60.34 N1+ ATOM 0 H LYS A 9 9.112 8.480 -2.370 1.00 25.14 H new ATOM 0 HA LYS A 9 8.788 8.542 0.489 1.00 4.14 H new ATOM 0 HB2 LYS A 9 10.607 6.840 0.874 1.00 2.34 H new ATOM 0 HB3 LYS A 9 9.075 6.166 0.354 1.00 2.34 H new ATOM 0 HG2 LYS A 9 11.101 6.811 -1.762 1.00 10.32 H new ATOM 0 HG3 LYS A 9 11.409 5.427 -0.732 1.00 10.32 H new ATOM 0 HD2 LYS A 9 9.921 4.190 -1.881 1.00 40.34 H new ATOM 0 HD3 LYS A 9 8.645 5.337 -1.525 1.00 40.34 H new ATOM 0 HE2 LYS A 9 8.606 5.703 -3.762 1.00 14.34 H new ATOM 0 HE3 LYS A 9 10.022 6.696 -3.477 1.00 14.34 H new ATOM 0 HZ1 LYS A 9 10.903 5.326 -5.010 1.00 60.34 H new ATOM 0 HZ2 LYS A 9 11.169 4.303 -3.681 1.00 60.34 H new ATOM 0 HZ3 LYS A 9 9.823 4.056 -4.687 1.00 60.34 H new ATOM 112 N CYS A 10 11.301 9.379 0.633 1.00 54.34 N ATOM 113 CA CYS A 10 12.457 10.269 0.623 1.00 63.03 C ATOM 114 C CYS A 10 13.453 9.854 -0.456 1.00 10.52 C ATOM 115 O CYS A 10 13.444 8.722 -0.940 1.00 12.21 O ATOM 116 CB CYS A 10 13.139 10.269 1.991 1.00 2.32 C ATOM 117 SG CYS A 10 12.477 11.493 3.146 1.00 4.01 S ATOM 0 H CYS A 10 11.083 8.981 1.547 1.00 54.34 H new ATOM 0 HA CYS A 10 12.107 11.277 0.401 1.00 63.03 H new ATOM 0 HB2 CYS A 10 13.042 9.278 2.434 1.00 2.32 H new ATOM 0 HB3 CYS A 10 14.204 10.454 1.854 1.00 2.32 H new ATOM 0 HG CYS A 10 13.116 11.414 4.275 1.00 4.01 H new ATOM 123 N PRO A 11 14.332 10.791 -0.842 1.00 53.44 N ATOM 124 CA PRO A 11 15.349 10.546 -1.868 1.00 54.45 C ATOM 125 C PRO A 11 16.434 9.585 -1.392 1.00 45.03 C ATOM 126 O PRO A 11 17.134 8.974 -2.199 1.00 23.34 O ATOM 127 CB PRO A 11 15.939 11.935 -2.122 1.00 72.55 C ATOM 128 CG PRO A 11 15.695 12.686 -0.858 1.00 3.34 C ATOM 129 CD PRO A 11 14.399 12.161 -0.307 1.00 61.21 C ATOM 0 HA PRO A 11 14.926 10.079 -2.757 1.00 54.45 H new ATOM 0 HB2 PRO A 11 17.003 11.878 -2.349 1.00 72.55 H new ATOM 0 HB3 PRO A 11 15.457 12.421 -2.971 1.00 72.55 H new ATOM 0 HG2 PRO A 11 16.510 12.534 -0.150 1.00 3.34 H new ATOM 0 HG3 PRO A 11 15.633 13.758 -1.047 1.00 3.34 H new ATOM 0 HD2 PRO A 11 14.394 12.168 0.783 1.00 61.21 H new ATOM 0 HD3 PRO A 11 13.550 12.762 -0.634 1.00 61.21 H new ATOM 137 N LEU A 12 16.566 9.457 -0.076 1.00 63.12 N ATOM 138 CA LEU A 12 17.566 8.570 0.508 1.00 52.33 C ATOM 139 C LEU A 12 17.047 7.937 1.796 1.00 2.43 C ATOM 140 O LEU A 12 16.755 8.635 2.768 1.00 13.02 O ATOM 141 CB LEU A 12 18.857 9.340 0.790 1.00 40.22 C ATOM 142 CG LEU A 12 20.088 8.491 1.112 1.00 11.33 C ATOM 143 CD1 LEU A 12 19.988 7.918 2.518 1.00 73.42 C ATOM 144 CD2 LEU A 12 20.250 7.375 0.090 1.00 15.23 C ATOM 0 H LEU A 12 15.994 9.955 0.606 1.00 63.12 H new ATOM 0 HA LEU A 12 17.773 7.775 -0.208 1.00 52.33 H new ATOM 0 HB2 LEU A 12 19.084 9.959 -0.078 1.00 40.22 H new ATOM 0 HB3 LEU A 12 18.678 10.016 1.626 1.00 40.22 H new ATOM 0 HG LEU A 12 20.969 9.131 1.064 1.00 11.33 H new ATOM 0 HD11 LEU A 12 20.872 7.317 2.730 1.00 73.42 H new ATOM 0 HD12 LEU A 12 19.922 8.733 3.239 1.00 73.42 H new ATOM 0 HD13 LEU A 12 19.098 7.293 2.594 1.00 73.42 H new ATOM 0 HD21 LEU A 12 21.131 6.782 0.336 1.00 15.23 H new ATOM 0 HD22 LEU A 12 19.367 6.737 0.105 1.00 15.23 H new ATOM 0 HD23 LEU A 12 20.369 7.806 -0.904 1.00 15.23 H new ATOM 156 N MET A 13 16.935 6.613 1.796 1.00 61.20 N ATOM 157 CA MET A 13 16.454 5.887 2.966 1.00 22.34 C ATOM 158 C MET A 13 17.353 4.694 3.272 1.00 2.51 C ATOM 159 O MET A 13 17.940 4.097 2.369 1.00 53.15 O ATOM 160 CB MET A 13 15.016 5.414 2.743 1.00 74.34 C ATOM 161 CG MET A 13 14.874 4.418 1.605 1.00 62.10 C ATOM 162 SD MET A 13 13.633 3.153 1.939 1.00 31.34 S ATOM 163 CE MET A 13 14.375 2.310 3.334 1.00 60.31 C ATOM 0 H MET A 13 17.171 6.021 0.999 1.00 61.20 H new ATOM 0 HA MET A 13 16.477 6.565 3.819 1.00 22.34 H new ATOM 0 HB2 MET A 13 14.645 4.959 3.662 1.00 74.34 H new ATOM 0 HB3 MET A 13 14.385 6.279 2.539 1.00 74.34 H new ATOM 0 HG2 MET A 13 14.607 4.951 0.692 1.00 62.10 H new ATOM 0 HG3 MET A 13 15.836 3.939 1.425 1.00 62.10 H new ATOM 0 HE1 MET A 13 14.314 1.232 3.182 1.00 60.31 H new ATOM 0 HE2 MET A 13 15.420 2.605 3.424 1.00 60.31 H new ATOM 0 HE3 MET A 13 13.843 2.578 4.246 1.00 60.31 H new ATOM 173 N VAL A 14 17.457 4.351 4.552 1.00 21.22 N ATOM 174 CA VAL A 14 18.284 3.227 4.978 1.00 2.34 C ATOM 175 C VAL A 14 17.433 1.994 5.260 1.00 34.21 C ATOM 176 O VAL A 14 16.350 2.093 5.836 1.00 35.53 O ATOM 177 CB VAL A 14 19.098 3.576 6.238 1.00 44.00 C ATOM 178 CG1 VAL A 14 19.883 2.365 6.718 1.00 51.25 C ATOM 179 CG2 VAL A 14 20.026 4.749 5.965 1.00 44.55 C ATOM 0 H VAL A 14 16.979 4.835 5.312 1.00 21.22 H new ATOM 0 HA VAL A 14 18.971 3.010 4.160 1.00 2.34 H new ATOM 0 HB VAL A 14 18.406 3.867 7.028 1.00 44.00 H new ATOM 0 HG11 VAL A 14 20.452 2.630 7.609 1.00 51.25 H new ATOM 0 HG12 VAL A 14 19.193 1.555 6.956 1.00 51.25 H new ATOM 0 HG13 VAL A 14 20.567 2.041 5.934 1.00 51.25 H new ATOM 0 HG21 VAL A 14 20.593 4.982 6.866 1.00 44.55 H new ATOM 0 HG22 VAL A 14 20.714 4.489 5.160 1.00 44.55 H new ATOM 0 HG23 VAL A 14 19.437 5.618 5.672 1.00 44.55 H new ATOM 189 N LYS A 15 17.931 0.833 4.851 1.00 20.03 N ATOM 190 CA LYS A 15 17.218 -0.422 5.060 1.00 34.30 C ATOM 191 C LYS A 15 18.153 -1.493 5.613 1.00 62.02 C ATOM 192 O LYS A 15 19.032 -1.989 4.908 1.00 61.44 O ATOM 193 CB LYS A 15 16.594 -0.903 3.749 1.00 53.00 C ATOM 194 CG LYS A 15 16.010 -2.304 3.831 1.00 15.14 C ATOM 195 CD LYS A 15 14.825 -2.359 4.781 1.00 41.01 C ATOM 196 CE LYS A 15 15.220 -2.938 6.130 1.00 63.11 C ATOM 197 NZ LYS A 15 14.137 -3.779 6.712 1.00 53.54 N1+ ATOM 0 H LYS A 15 18.826 0.734 4.372 1.00 20.03 H new ATOM 0 HA LYS A 15 16.426 -0.244 5.788 1.00 34.30 H new ATOM 0 HB2 LYS A 15 15.808 -0.208 3.454 1.00 53.00 H new ATOM 0 HB3 LYS A 15 17.352 -0.879 2.966 1.00 53.00 H new ATOM 0 HG2 LYS A 15 15.697 -2.627 2.838 1.00 15.14 H new ATOM 0 HG3 LYS A 15 16.779 -3.001 4.166 1.00 15.14 H new ATOM 0 HD2 LYS A 15 14.420 -1.356 4.918 1.00 41.01 H new ATOM 0 HD3 LYS A 15 14.033 -2.965 4.342 1.00 41.01 H new ATOM 0 HE2 LYS A 15 16.124 -3.537 6.017 1.00 63.11 H new ATOM 0 HE3 LYS A 15 15.459 -2.127 6.818 1.00 63.11 H new ATOM 0 HZ1 LYS A 15 14.303 -3.902 7.731 1.00 53.54 H new ATOM 0 HZ2 LYS A 15 13.219 -3.313 6.565 1.00 53.54 H new ATOM 0 HZ3 LYS A 15 14.132 -4.709 6.247 1.00 53.54 H new ATOM 211 N VAL A 16 17.958 -1.848 6.879 1.00 25.51 N ATOM 212 CA VAL A 16 18.782 -2.862 7.526 1.00 72.30 C ATOM 213 C VAL A 16 17.925 -3.985 8.095 1.00 42.30 C ATOM 214 O VAL A 16 17.049 -3.752 8.930 1.00 53.32 O ATOM 215 CB VAL A 16 19.633 -2.255 8.659 1.00 4.53 C ATOM 216 CG1 VAL A 16 20.456 -3.335 9.344 1.00 11.20 C ATOM 217 CG2 VAL A 16 20.530 -1.152 8.118 1.00 21.20 C ATOM 0 H VAL A 16 17.236 -1.448 7.478 1.00 25.51 H new ATOM 0 HA VAL A 16 19.445 -3.267 6.761 1.00 72.30 H new ATOM 0 HB VAL A 16 18.964 -1.817 9.399 1.00 4.53 H new ATOM 0 HG11 VAL A 16 21.051 -2.889 10.141 1.00 11.20 H new ATOM 0 HG12 VAL A 16 19.790 -4.087 9.766 1.00 11.20 H new ATOM 0 HG13 VAL A 16 21.118 -3.804 8.616 1.00 11.20 H new ATOM 0 HG21 VAL A 16 21.124 -0.734 8.931 1.00 21.20 H new ATOM 0 HG22 VAL A 16 21.194 -1.563 7.358 1.00 21.20 H new ATOM 0 HG23 VAL A 16 19.916 -0.367 7.677 1.00 21.20 H new ATOM 227 N LEU A 17 18.181 -5.206 7.639 1.00 45.53 N ATOM 228 CA LEU A 17 17.432 -6.369 8.103 1.00 34.25 C ATOM 229 C LEU A 17 18.358 -7.562 8.320 1.00 35.30 C ATOM 230 O LEU A 17 19.384 -7.694 7.652 1.00 14.24 O ATOM 231 CB LEU A 17 16.340 -6.733 7.096 1.00 4.15 C ATOM 232 CG LEU A 17 16.778 -7.599 5.914 1.00 21.13 C ATOM 233 CD1 LEU A 17 16.388 -9.050 6.141 1.00 54.51 C ATOM 234 CD2 LEU A 17 16.174 -7.078 4.618 1.00 44.01 C ATOM 0 H LEU A 17 18.901 -5.417 6.948 1.00 45.53 H new ATOM 0 HA LEU A 17 16.968 -6.114 9.056 1.00 34.25 H new ATOM 0 HB2 LEU A 17 15.543 -7.254 7.627 1.00 4.15 H new ATOM 0 HB3 LEU A 17 15.912 -5.810 6.705 1.00 4.15 H new ATOM 0 HG LEU A 17 17.864 -7.546 5.832 1.00 21.13 H new ATOM 0 HD11 LEU A 17 16.708 -9.650 5.289 1.00 54.51 H new ATOM 0 HD12 LEU A 17 16.870 -9.419 7.046 1.00 54.51 H new ATOM 0 HD13 LEU A 17 15.306 -9.123 6.250 1.00 54.51 H new ATOM 0 HD21 LEU A 17 16.497 -7.706 3.788 1.00 44.01 H new ATOM 0 HD22 LEU A 17 15.087 -7.100 4.689 1.00 44.01 H new ATOM 0 HD23 LEU A 17 16.506 -6.054 4.448 1.00 44.01 H new ATOM 246 N ASP A 18 17.987 -8.429 9.256 1.00 35.22 N ATOM 247 CA ASP A 18 18.783 -9.614 9.559 1.00 62.01 C ATOM 248 C ASP A 18 18.515 -10.722 8.545 1.00 31.11 C ATOM 249 O ASP A 18 17.370 -11.120 8.333 1.00 73.51 O ATOM 250 CB ASP A 18 18.476 -10.113 10.971 1.00 12.00 C ATOM 251 CG ASP A 18 19.727 -10.269 11.814 1.00 12.43 C ATOM 252 OD1 ASP A 18 20.639 -11.011 11.391 1.00 41.53 O ATOM 253 OD2 ASP A 18 19.794 -9.649 12.896 1.00 43.43 O1- ATOM 0 H ASP A 18 17.141 -8.334 9.818 1.00 35.22 H new ATOM 0 HA ASP A 18 19.836 -9.339 9.500 1.00 62.01 H new ATOM 0 HB2 ASP A 18 17.796 -9.415 11.460 1.00 12.00 H new ATOM 0 HB3 ASP A 18 17.960 -11.071 10.911 1.00 12.00 H new ATOM 258 N ALA A 19 19.579 -11.214 7.919 1.00 34.14 N ATOM 259 CA ALA A 19 19.459 -12.277 6.929 1.00 74.24 C ATOM 260 C ALA A 19 19.315 -13.640 7.600 1.00 42.11 C ATOM 261 O ALA A 19 19.188 -14.663 6.927 1.00 25.21 O ATOM 262 CB ALA A 19 20.662 -12.269 5.999 1.00 45.22 C ATOM 0 H ALA A 19 20.534 -10.893 8.080 1.00 34.14 H new ATOM 0 HA ALA A 19 18.559 -12.094 6.343 1.00 74.24 H new ATOM 0 HB1 ALA A 19 20.559 -13.068 5.265 1.00 45.22 H new ATOM 0 HB2 ALA A 19 20.719 -11.309 5.486 1.00 45.22 H new ATOM 0 HB3 ALA A 19 21.572 -12.424 6.579 1.00 45.22 H new ATOM 268 N VAL A 20 19.336 -13.644 8.929 1.00 34.04 N ATOM 269 CA VAL A 20 19.207 -14.881 9.690 1.00 21.35 C ATOM 270 C VAL A 20 17.744 -15.287 9.838 1.00 44.04 C ATOM 271 O VAL A 20 17.405 -16.466 9.747 1.00 43.12 O ATOM 272 CB VAL A 20 19.834 -14.746 11.090 1.00 5.35 C ATOM 273 CG1 VAL A 20 19.656 -16.032 11.883 1.00 34.41 C ATOM 274 CG2 VAL A 20 21.306 -14.378 10.981 1.00 3.13 C ATOM 0 H VAL A 20 19.441 -12.806 9.500 1.00 34.04 H new ATOM 0 HA VAL A 20 19.740 -15.652 9.133 1.00 21.35 H new ATOM 0 HB VAL A 20 19.320 -13.945 11.622 1.00 5.35 H new ATOM 0 HG11 VAL A 20 20.106 -15.917 12.869 1.00 34.41 H new ATOM 0 HG12 VAL A 20 18.593 -16.248 11.992 1.00 34.41 H new ATOM 0 HG13 VAL A 20 20.141 -16.854 11.357 1.00 34.41 H new ATOM 0 HG21 VAL A 20 21.733 -14.287 11.980 1.00 3.13 H new ATOM 0 HG22 VAL A 20 21.835 -15.155 10.430 1.00 3.13 H new ATOM 0 HG23 VAL A 20 21.406 -13.428 10.456 1.00 3.13 H new ATOM 284 N ARG A 21 16.883 -14.301 10.065 1.00 13.31 N ATOM 285 CA ARG A 21 15.457 -14.553 10.225 1.00 41.52 C ATOM 286 C ARG A 21 14.655 -13.866 9.125 1.00 40.44 C ATOM 287 O ARG A 21 13.537 -14.273 8.809 1.00 1.41 O ATOM 288 CB ARG A 21 14.982 -14.068 11.596 1.00 42.31 C ATOM 289 CG ARG A 21 15.945 -14.395 12.725 1.00 55.31 C ATOM 290 CD ARG A 21 16.818 -13.200 13.076 1.00 11.13 C ATOM 291 NE ARG A 21 16.459 -12.621 14.368 1.00 51.30 N ATOM 292 CZ ARG A 21 16.684 -13.224 15.531 1.00 13.52 C ATOM 293 NH1 ARG A 21 17.262 -14.416 15.562 1.00 72.23 N1+ ATOM 294 NH2 ARG A 21 16.329 -12.632 16.665 1.00 1.52 N ATOM 0 H ARG A 21 17.149 -13.319 10.142 1.00 13.31 H new ATOM 0 HA ARG A 21 15.294 -15.628 10.151 1.00 41.52 H new ATOM 0 HB2 ARG A 21 14.833 -12.989 11.558 1.00 42.31 H new ATOM 0 HB3 ARG A 21 14.013 -14.517 11.815 1.00 42.31 H new ATOM 0 HG2 ARG A 21 15.383 -14.707 13.605 1.00 55.31 H new ATOM 0 HG3 ARG A 21 16.576 -15.235 12.435 1.00 55.31 H new ATOM 0 HD2 ARG A 21 17.863 -13.508 13.095 1.00 11.13 H new ATOM 0 HD3 ARG A 21 16.723 -12.441 12.300 1.00 11.13 H new ATOM 0 HE ARG A 21 16.011 -11.704 14.378 1.00 51.30 H new ATOM 0 HH11 ARG A 21 17.535 -14.873 14.692 1.00 72.23 H new ATOM 0 HH12 ARG A 21 17.434 -14.877 16.456 1.00 72.23 H new ATOM 0 HH21 ARG A 21 15.884 -11.715 16.644 1.00 1.52 H new ATOM 0 HH22 ARG A 21 16.502 -13.095 17.558 1.00 1.52 H new ATOM 308 N GLY A 22 15.235 -12.820 8.543 1.00 74.32 N ATOM 309 CA GLY A 22 14.559 -12.092 7.484 1.00 71.21 C ATOM 310 C GLY A 22 13.781 -10.901 8.004 1.00 53.11 C ATOM 311 O GLY A 22 13.045 -10.257 7.257 1.00 34.42 O ATOM 0 H GLY A 22 16.160 -12.464 8.786 1.00 74.32 H new ATOM 0 HA2 GLY A 22 15.294 -11.751 6.755 1.00 71.21 H new ATOM 0 HA3 GLY A 22 13.880 -12.765 6.961 1.00 71.21 H new ATOM 315 N SER A 23 13.942 -10.607 9.290 1.00 51.51 N ATOM 316 CA SER A 23 13.243 -9.488 9.912 1.00 3.34 C ATOM 317 C SER A 23 14.146 -8.260 9.991 1.00 32.43 C ATOM 318 O SER A 23 15.369 -8.349 9.873 1.00 43.34 O ATOM 319 CB SER A 23 12.764 -9.873 11.313 1.00 71.44 C ATOM 320 OG SER A 23 13.371 -11.078 11.746 1.00 35.11 O ATOM 0 H SER A 23 14.550 -11.128 9.922 1.00 51.51 H new ATOM 0 HA SER A 23 12.379 -9.244 9.295 1.00 3.34 H new ATOM 0 HB2 SER A 23 12.998 -9.072 12.014 1.00 71.44 H new ATOM 0 HB3 SER A 23 11.680 -9.988 11.311 1.00 71.44 H new ATOM 0 HG SER A 23 13.050 -11.302 12.645 1.00 35.11 H new ATOM 326 N PRO A 24 13.531 -7.086 10.196 1.00 34.11 N ATOM 327 CA PRO A 24 14.259 -5.818 10.296 1.00 75.01 C ATOM 328 C PRO A 24 15.082 -5.722 11.576 1.00 32.44 C ATOM 329 O PRO A 24 14.732 -6.313 12.597 1.00 65.23 O ATOM 330 CB PRO A 24 13.145 -4.769 10.296 1.00 55.43 C ATOM 331 CG PRO A 24 11.949 -5.486 10.821 1.00 2.33 C ATOM 332 CD PRO A 24 12.078 -6.907 10.347 1.00 25.13 C ATOM 0 HA PRO A 24 14.978 -5.695 9.486 1.00 75.01 H new ATOM 0 HB2 PRO A 24 13.403 -3.917 10.925 1.00 55.43 H new ATOM 0 HB3 PRO A 24 12.966 -4.382 9.293 1.00 55.43 H new ATOM 0 HG2 PRO A 24 11.912 -5.439 11.909 1.00 2.33 H new ATOM 0 HG3 PRO A 24 11.029 -5.033 10.451 1.00 2.33 H new ATOM 0 HD2 PRO A 24 11.659 -7.610 11.067 1.00 25.13 H new ATOM 0 HD3 PRO A 24 11.554 -7.065 9.405 1.00 25.13 H new ATOM 340 N ALA A 25 16.178 -4.972 11.515 1.00 41.01 N ATOM 341 CA ALA A 25 17.049 -4.796 12.671 1.00 63.44 C ATOM 342 C ALA A 25 16.718 -3.509 13.417 1.00 30.11 C ATOM 343 O ALA A 25 16.505 -2.462 12.805 1.00 75.14 O ATOM 344 CB ALA A 25 18.507 -4.796 12.237 1.00 64.11 C ATOM 0 H ALA A 25 16.484 -4.477 10.677 1.00 41.01 H new ATOM 0 HA ALA A 25 16.883 -5.632 13.351 1.00 63.44 H new ATOM 0 HB1 ALA A 25 19.146 -4.664 13.110 1.00 64.11 H new ATOM 0 HB2 ALA A 25 18.743 -5.745 11.755 1.00 64.11 H new ATOM 0 HB3 ALA A 25 18.678 -3.980 11.535 1.00 64.11 H new ATOM 350 N ILE A 26 16.674 -3.594 14.743 1.00 43.00 N ATOM 351 CA ILE A 26 16.368 -2.435 15.572 1.00 13.15 C ATOM 352 C ILE A 26 17.621 -1.906 16.261 1.00 11.44 C ATOM 353 O ILE A 26 18.454 -2.677 16.734 1.00 75.40 O ATOM 354 CB ILE A 26 15.312 -2.770 16.641 1.00 42.33 C ATOM 355 CG1 ILE A 26 13.906 -2.485 16.108 1.00 52.34 C ATOM 356 CG2 ILE A 26 15.572 -1.976 17.912 1.00 30.32 C ATOM 357 CD1 ILE A 26 13.466 -1.051 16.301 1.00 11.12 C ATOM 0 H ILE A 26 16.846 -4.453 15.265 1.00 43.00 H new ATOM 0 HA ILE A 26 15.970 -1.668 14.907 1.00 13.15 H new ATOM 0 HB ILE A 26 15.383 -3.831 16.878 1.00 42.33 H new ATOM 0 HG12 ILE A 26 13.873 -2.727 15.046 1.00 52.34 H new ATOM 0 HG13 ILE A 26 13.196 -3.145 16.607 1.00 52.34 H new ATOM 0 HG21 ILE A 26 14.817 -2.225 18.657 1.00 30.32 H new ATOM 0 HG22 ILE A 26 16.560 -2.224 18.300 1.00 30.32 H new ATOM 0 HG23 ILE A 26 15.526 -0.910 17.691 1.00 30.32 H new ATOM 0 HD11 ILE A 26 12.461 -0.922 15.900 1.00 11.12 H new ATOM 0 HD12 ILE A 26 13.466 -0.810 17.364 1.00 11.12 H new ATOM 0 HD13 ILE A 26 14.153 -0.386 15.778 1.00 11.12 H new ATOM 369 N ASN A 27 17.748 -0.584 16.314 1.00 72.15 N ATOM 370 CA ASN A 27 18.899 0.050 16.946 1.00 74.24 C ATOM 371 C ASN A 27 20.188 -0.310 16.214 1.00 65.44 C ATOM 372 O ASN A 27 21.097 -0.906 16.790 1.00 74.45 O ATOM 373 CB ASN A 27 18.998 -0.374 18.414 1.00 42.11 C ATOM 374 CG ASN A 27 17.697 -0.166 19.164 1.00 53.35 C ATOM 375 OD1 ASN A 27 17.310 -0.988 19.995 1.00 33.42 O ATOM 376 ND2 ASN A 27 17.015 0.936 18.873 1.00 65.05 N ATOM 0 H ASN A 27 17.067 0.069 15.926 1.00 72.15 H new ATOM 0 HA ASN A 27 18.762 1.130 16.894 1.00 74.24 H new ATOM 0 HB2 ASN A 27 19.281 -1.425 18.468 1.00 42.11 H new ATOM 0 HB3 ASN A 27 19.790 0.195 18.901 1.00 42.11 H new ATOM 0 HD21 ASN A 27 16.132 1.129 19.346 1.00 65.05 H new ATOM 0 HD22 ASN A 27 17.374 1.589 18.177 1.00 65.05 H new ATOM 383 N VAL A 28 20.259 0.057 14.938 1.00 63.23 N ATOM 384 CA VAL A 28 21.436 -0.224 14.126 1.00 64.00 C ATOM 385 C VAL A 28 22.149 1.063 13.726 1.00 62.33 C ATOM 386 O VAL A 28 21.640 1.843 12.922 1.00 75.42 O ATOM 387 CB VAL A 28 21.067 -1.010 12.854 1.00 51.21 C ATOM 388 CG1 VAL A 28 22.303 -1.265 12.005 1.00 23.21 C ATOM 389 CG2 VAL A 28 20.379 -2.317 13.216 1.00 70.12 C ATOM 0 H VAL A 28 19.514 0.550 14.445 1.00 63.23 H new ATOM 0 HA VAL A 28 22.104 -0.831 14.738 1.00 64.00 H new ATOM 0 HB VAL A 28 20.371 -0.410 12.267 1.00 51.21 H new ATOM 0 HG11 VAL A 28 22.022 -1.821 11.111 1.00 23.21 H new ATOM 0 HG12 VAL A 28 22.748 -0.313 11.715 1.00 23.21 H new ATOM 0 HG13 VAL A 28 23.026 -1.843 12.580 1.00 23.21 H new ATOM 0 HG21 VAL A 28 20.125 -2.859 12.305 1.00 70.12 H new ATOM 0 HG22 VAL A 28 21.049 -2.924 13.825 1.00 70.12 H new ATOM 0 HG23 VAL A 28 19.469 -2.106 13.778 1.00 70.12 H new ATOM 399 N ALA A 29 23.331 1.279 14.293 1.00 51.31 N ATOM 400 CA ALA A 29 24.116 2.470 13.993 1.00 14.44 C ATOM 401 C ALA A 29 24.378 2.594 12.496 1.00 34.01 C ATOM 402 O ALA A 29 24.853 1.654 11.859 1.00 1.50 O ATOM 403 CB ALA A 29 25.430 2.443 14.760 1.00 51.41 C ATOM 0 H ALA A 29 23.766 0.645 14.963 1.00 51.31 H new ATOM 0 HA ALA A 29 23.542 3.341 14.307 1.00 14.44 H new ATOM 0 HB1 ALA A 29 26.006 3.338 14.526 1.00 51.41 H new ATOM 0 HB2 ALA A 29 25.226 2.412 15.830 1.00 51.41 H new ATOM 0 HB3 ALA A 29 26.000 1.560 14.473 1.00 51.41 H new ATOM 409 N VAL A 30 24.064 3.760 11.939 1.00 53.05 N ATOM 410 CA VAL A 30 24.265 4.005 10.516 1.00 30.12 C ATOM 411 C VAL A 30 24.826 5.403 10.274 1.00 13.12 C ATOM 412 O VAL A 30 24.310 6.390 10.801 1.00 14.35 O ATOM 413 CB VAL A 30 22.952 3.847 9.728 1.00 12.13 C ATOM 414 CG1 VAL A 30 23.187 4.091 8.245 1.00 20.24 C ATOM 415 CG2 VAL A 30 22.353 2.469 9.962 1.00 21.10 C ATOM 0 H VAL A 30 23.670 4.549 12.452 1.00 53.05 H new ATOM 0 HA VAL A 30 24.982 3.263 10.165 1.00 30.12 H new ATOM 0 HB VAL A 30 22.241 4.592 10.086 1.00 12.13 H new ATOM 0 HG11 VAL A 30 22.248 3.975 7.704 1.00 20.24 H new ATOM 0 HG12 VAL A 30 23.568 5.102 8.098 1.00 20.24 H new ATOM 0 HG13 VAL A 30 23.914 3.371 7.869 1.00 20.24 H new ATOM 0 HG21 VAL A 30 21.425 2.375 9.397 1.00 21.10 H new ATOM 0 HG22 VAL A 30 23.057 1.705 9.633 1.00 21.10 H new ATOM 0 HG23 VAL A 30 22.146 2.338 11.024 1.00 21.10 H new ATOM 425 N HIS A 31 25.884 5.480 9.474 1.00 64.03 N ATOM 426 CA HIS A 31 26.514 6.758 9.161 1.00 64.42 C ATOM 427 C HIS A 31 26.627 6.953 7.652 1.00 32.44 C ATOM 428 O HIS A 31 27.255 6.154 6.957 1.00 61.22 O ATOM 429 CB HIS A 31 27.900 6.837 9.801 1.00 31.03 C ATOM 430 CG HIS A 31 27.935 6.350 11.217 1.00 51.53 C ATOM 431 ND1 HIS A 31 27.944 5.013 11.554 1.00 72.45 N ATOM 432 CD2 HIS A 31 27.964 7.031 12.387 1.00 62.03 C ATOM 433 CE1 HIS A 31 27.976 4.892 12.869 1.00 20.24 C ATOM 434 NE2 HIS A 31 27.988 6.102 13.398 1.00 41.10 N ATOM 0 H HIS A 31 26.323 4.673 9.031 1.00 64.03 H new ATOM 0 HA HIS A 31 25.888 7.553 9.567 1.00 64.42 H new ATOM 0 HB2 HIS A 31 28.600 6.250 9.206 1.00 31.03 H new ATOM 0 HB3 HIS A 31 28.246 7.870 9.772 1.00 31.03 H new ATOM 0 HD2 HIS A 31 27.968 8.105 12.503 1.00 62.03 H new ATOM 0 HE1 HIS A 31 27.990 3.962 13.418 1.00 20.24 H new ATOM 0 HE2 HIS A 31 28.011 6.312 14.396 1.00 41.10 H new ATOM 442 N VAL A 32 26.012 8.019 7.151 1.00 24.00 N ATOM 443 CA VAL A 32 26.042 8.319 5.724 1.00 4.03 C ATOM 444 C VAL A 32 27.065 9.408 5.414 1.00 11.32 C ATOM 445 O VAL A 32 27.067 10.468 6.038 1.00 31.44 O ATOM 446 CB VAL A 32 24.660 8.769 5.216 1.00 4.31 C ATOM 447 CG1 VAL A 32 24.655 8.867 3.698 1.00 52.25 C ATOM 448 CG2 VAL A 32 23.579 7.816 5.700 1.00 32.45 C ATOM 0 H VAL A 32 25.487 8.690 7.712 1.00 24.00 H new ATOM 0 HA VAL A 32 26.327 7.400 5.212 1.00 4.03 H new ATOM 0 HB VAL A 32 24.448 9.759 5.621 1.00 4.31 H new ATOM 0 HG11 VAL A 32 23.670 9.186 3.357 1.00 52.25 H new ATOM 0 HG12 VAL A 32 25.403 9.593 3.378 1.00 52.25 H new ATOM 0 HG13 VAL A 32 24.889 7.892 3.270 1.00 52.25 H new ATOM 0 HG21 VAL A 32 22.609 8.149 5.332 1.00 32.45 H new ATOM 0 HG22 VAL A 32 23.784 6.813 5.326 1.00 32.45 H new ATOM 0 HG23 VAL A 32 23.568 7.802 6.790 1.00 32.45 H new ATOM 458 N PHE A 33 27.933 9.136 4.445 1.00 51.12 N ATOM 459 CA PHE A 33 28.961 10.092 4.051 1.00 51.45 C ATOM 460 C PHE A 33 28.859 10.418 2.563 1.00 55.55 C ATOM 461 O PHE A 33 28.221 9.693 1.800 1.00 10.22 O ATOM 462 CB PHE A 33 30.351 9.536 4.368 1.00 10.20 C ATOM 463 CG PHE A 33 30.697 9.583 5.829 1.00 4.40 C ATOM 464 CD1 PHE A 33 30.093 8.715 6.725 1.00 34.41 C ATOM 465 CD2 PHE A 33 31.625 10.495 6.307 1.00 65.40 C ATOM 466 CE1 PHE A 33 30.409 8.757 8.070 1.00 11.13 C ATOM 467 CE2 PHE A 33 31.944 10.541 7.651 1.00 73.04 C ATOM 468 CZ PHE A 33 31.336 9.670 8.533 1.00 5.30 C ATOM 0 H PHE A 33 27.945 8.262 3.919 1.00 51.12 H new ATOM 0 HA PHE A 33 28.805 11.010 4.618 1.00 51.45 H new ATOM 0 HB2 PHE A 33 30.408 8.504 4.022 1.00 10.20 H new ATOM 0 HB3 PHE A 33 31.096 10.101 3.808 1.00 10.20 H new ATOM 0 HD1 PHE A 33 29.368 7.998 6.369 1.00 34.41 H new ATOM 0 HD2 PHE A 33 32.104 11.178 5.621 1.00 65.40 H new ATOM 0 HE1 PHE A 33 29.931 8.076 8.759 1.00 11.13 H new ATOM 0 HE2 PHE A 33 32.668 11.257 8.011 1.00 73.04 H new ATOM 0 HZ PHE A 33 31.585 9.703 9.583 1.00 5.30 H new ATOM 478 N ARG A 34 29.492 11.515 2.160 1.00 64.43 N ATOM 479 CA ARG A 34 29.472 11.939 0.766 1.00 65.22 C ATOM 480 C ARG A 34 30.888 12.176 0.248 1.00 15.34 C ATOM 481 O ARG A 34 31.752 12.668 0.974 1.00 10.42 O ATOM 482 CB ARG A 34 28.642 13.215 0.610 1.00 44.03 C ATOM 483 CG ARG A 34 28.528 13.696 -0.826 1.00 42.14 C ATOM 484 CD ARG A 34 29.561 14.768 -1.139 1.00 65.22 C ATOM 485 NE ARG A 34 29.306 15.416 -2.423 1.00 22.33 N ATOM 486 CZ ARG A 34 29.470 14.814 -3.595 1.00 13.23 C ATOM 487 NH1 ARG A 34 29.886 13.556 -3.646 1.00 32.51 N1+ ATOM 488 NH2 ARG A 34 29.218 15.470 -4.720 1.00 1.52 N ATOM 0 H ARG A 34 30.025 12.126 2.779 1.00 64.43 H new ATOM 0 HA ARG A 34 29.017 11.142 0.178 1.00 65.22 H new ATOM 0 HB2 ARG A 34 27.642 13.038 1.005 1.00 44.03 H new ATOM 0 HB3 ARG A 34 29.088 14.005 1.214 1.00 44.03 H new ATOM 0 HG2 ARG A 34 28.660 12.853 -1.505 1.00 42.14 H new ATOM 0 HG3 ARG A 34 27.527 14.092 -1.000 1.00 42.14 H new ATOM 0 HD2 ARG A 34 29.557 15.518 -0.348 1.00 65.22 H new ATOM 0 HD3 ARG A 34 30.555 14.321 -1.150 1.00 65.22 H new ATOM 0 HE ARG A 34 28.984 16.384 -2.419 1.00 22.33 H new ATOM 0 HH11 ARG A 34 30.081 13.048 -2.783 1.00 32.51 H new ATOM 0 HH12 ARG A 34 30.011 13.096 -4.548 1.00 32.51 H new ATOM 0 HH21 ARG A 34 28.898 16.438 -4.685 1.00 1.52 H new ATOM 0 HH22 ARG A 34 29.344 15.007 -5.620 1.00 1.52 H new ATOM 502 N LYS A 35 31.120 11.820 -1.011 1.00 52.41 N ATOM 503 CA LYS A 35 32.429 11.993 -1.627 1.00 13.50 C ATOM 504 C LYS A 35 32.827 13.466 -1.655 1.00 22.12 C ATOM 505 O LYS A 35 32.274 14.254 -2.422 1.00 23.40 O ATOM 506 CB LYS A 35 32.425 11.429 -3.050 1.00 52.13 C ATOM 507 CG LYS A 35 33.536 11.982 -3.927 1.00 14.31 C ATOM 508 CD LYS A 35 34.908 11.640 -3.371 1.00 53.52 C ATOM 509 CE LYS A 35 35.210 10.155 -3.507 1.00 23.31 C ATOM 510 NZ LYS A 35 36.078 9.871 -4.683 1.00 21.52 N1+ ATOM 0 H LYS A 35 30.417 11.409 -1.625 1.00 52.41 H new ATOM 0 HA LYS A 35 33.159 11.448 -1.028 1.00 13.50 H new ATOM 0 HB2 LYS A 35 32.517 10.344 -3.002 1.00 52.13 H new ATOM 0 HB3 LYS A 35 31.464 11.647 -3.515 1.00 52.13 H new ATOM 0 HG2 LYS A 35 33.440 11.578 -4.935 1.00 14.31 H new ATOM 0 HG3 LYS A 35 33.434 13.064 -4.006 1.00 14.31 H new ATOM 0 HD2 LYS A 35 35.669 12.217 -3.897 1.00 53.52 H new ATOM 0 HD3 LYS A 35 34.958 11.928 -2.321 1.00 53.52 H new ATOM 0 HE2 LYS A 35 35.699 9.799 -2.600 1.00 23.31 H new ATOM 0 HE3 LYS A 35 34.276 9.602 -3.603 1.00 23.31 H new ATOM 0 HZ1 LYS A 35 36.261 8.849 -4.741 1.00 21.52 H new ATOM 0 HZ2 LYS A 35 35.601 10.187 -5.551 1.00 21.52 H new ATOM 0 HZ3 LYS A 35 36.980 10.378 -4.579 1.00 21.52 H new ATOM 524 N ALA A 36 33.791 13.830 -0.815 1.00 11.43 N ATOM 525 CA ALA A 36 34.264 15.207 -0.746 1.00 5.53 C ATOM 526 C ALA A 36 35.038 15.584 -2.005 1.00 3.33 C ATOM 527 O ALA A 36 35.580 14.721 -2.693 1.00 43.41 O ATOM 528 CB ALA A 36 35.131 15.405 0.488 1.00 65.22 C ATOM 0 H ALA A 36 34.259 13.190 -0.173 1.00 11.43 H new ATOM 0 HA ALA A 36 33.395 15.862 -0.675 1.00 5.53 H new ATOM 0 HB1 ALA A 36 35.478 16.438 0.527 1.00 65.22 H new ATOM 0 HB2 ALA A 36 34.548 15.184 1.382 1.00 65.22 H new ATOM 0 HB3 ALA A 36 35.990 14.736 0.440 1.00 65.22 H new ATOM 534 N ALA A 37 35.085 16.880 -2.299 1.00 31.41 N ATOM 535 CA ALA A 37 35.793 17.372 -3.473 1.00 53.45 C ATOM 536 C ALA A 37 37.273 17.011 -3.412 1.00 42.42 C ATOM 537 O ALA A 37 37.964 17.010 -4.432 1.00 11.14 O ATOM 538 CB ALA A 37 35.620 18.878 -3.602 1.00 43.21 C ATOM 0 H ALA A 37 34.640 17.608 -1.739 1.00 31.41 H new ATOM 0 HA ALA A 37 35.364 16.892 -4.353 1.00 53.45 H new ATOM 0 HB1 ALA A 37 36.155 19.231 -4.484 1.00 43.21 H new ATOM 0 HB2 ALA A 37 34.561 19.115 -3.700 1.00 43.21 H new ATOM 0 HB3 ALA A 37 36.021 19.368 -2.714 1.00 43.21 H new ATOM 544 N ASP A 38 37.754 16.704 -2.213 1.00 21.45 N ATOM 545 CA ASP A 38 39.153 16.341 -2.019 1.00 71.21 C ATOM 546 C ASP A 38 39.329 14.826 -2.037 1.00 42.43 C ATOM 547 O ASP A 38 40.352 14.304 -1.596 1.00 64.32 O ATOM 548 CB ASP A 38 39.673 16.913 -0.699 1.00 40.43 C ATOM 549 CG ASP A 38 40.914 17.764 -0.886 1.00 61.52 C ATOM 550 OD1 ASP A 38 40.805 18.845 -1.501 1.00 35.52 O ATOM 551 OD2 ASP A 38 41.994 17.348 -0.416 1.00 52.21 O1- ATOM 0 H ASP A 38 37.195 16.699 -1.360 1.00 21.45 H new ATOM 0 HA ASP A 38 39.730 16.765 -2.841 1.00 71.21 H new ATOM 0 HB2 ASP A 38 38.891 17.513 -0.233 1.00 40.43 H new ATOM 0 HB3 ASP A 38 39.897 16.095 -0.015 1.00 40.43 H new ATOM 556 N ASP A 39 38.322 14.124 -2.546 1.00 23.33 N ATOM 557 CA ASP A 39 38.365 12.669 -2.621 1.00 64.41 C ATOM 558 C ASP A 39 38.386 12.054 -1.225 1.00 62.43 C ATOM 559 O ASP A 39 39.120 11.101 -0.965 1.00 42.41 O ATOM 560 CB ASP A 39 39.592 12.213 -3.411 1.00 53.30 C ATOM 561 CG ASP A 39 39.930 13.154 -4.550 1.00 11.54 C ATOM 562 OD1 ASP A 39 39.346 12.996 -5.643 1.00 1.24 O ATOM 563 OD2 ASP A 39 40.779 14.048 -4.351 1.00 73.02 O1- ATOM 0 H ASP A 39 37.466 14.540 -2.913 1.00 23.33 H new ATOM 0 HA ASP A 39 37.466 12.330 -3.135 1.00 64.41 H new ATOM 0 HB2 ASP A 39 40.447 12.140 -2.739 1.00 53.30 H new ATOM 0 HB3 ASP A 39 39.413 11.214 -3.810 1.00 53.30 H new ATOM 568 N THR A 40 37.574 12.607 -0.328 1.00 24.15 N ATOM 569 CA THR A 40 37.501 12.115 1.042 1.00 43.05 C ATOM 570 C THR A 40 36.067 11.771 1.427 1.00 61.51 C ATOM 571 O THR A 40 35.151 11.890 0.613 1.00 34.22 O ATOM 572 CB THR A 40 38.055 13.149 2.040 1.00 44.50 C ATOM 573 OG1 THR A 40 37.099 14.196 2.242 1.00 41.21 O ATOM 574 CG2 THR A 40 39.363 13.740 1.538 1.00 21.33 C ATOM 0 H THR A 40 36.958 13.396 -0.526 1.00 24.15 H new ATOM 0 HA THR A 40 38.112 11.214 1.087 1.00 43.05 H new ATOM 0 HB THR A 40 38.244 12.642 2.986 1.00 44.50 H new ATOM 0 HG1 THR A 40 37.458 14.848 2.879 1.00 41.21 H new ATOM 0 HG21 THR A 40 39.734 14.467 2.260 1.00 21.33 H new ATOM 0 HG22 THR A 40 40.098 12.944 1.414 1.00 21.33 H new ATOM 0 HG23 THR A 40 39.196 14.232 0.580 1.00 21.33 H new ATOM 582 N TRP A 41 35.880 11.344 2.670 1.00 45.03 N ATOM 583 CA TRP A 41 34.555 10.983 3.163 1.00 2.42 C ATOM 584 C TRP A 41 34.025 12.040 4.125 1.00 70.44 C ATOM 585 O TRP A 41 34.484 12.142 5.261 1.00 32.21 O ATOM 586 CB TRP A 41 34.600 9.621 3.856 1.00 70.13 C ATOM 587 CG TRP A 41 34.737 8.472 2.903 1.00 74.41 C ATOM 588 CD1 TRP A 41 35.471 8.446 1.751 1.00 33.11 C ATOM 589 CD2 TRP A 41 34.121 7.185 3.017 1.00 44.32 C ATOM 590 NE1 TRP A 41 35.348 7.220 1.143 1.00 50.54 N ATOM 591 CE2 TRP A 41 34.526 6.428 1.901 1.00 44.12 C ATOM 592 CE3 TRP A 41 33.268 6.597 3.956 1.00 73.52 C ATOM 593 CZ2 TRP A 41 34.107 5.116 1.700 1.00 60.44 C ATOM 594 CZ3 TRP A 41 32.852 5.295 3.754 1.00 61.10 C ATOM 595 CH2 TRP A 41 33.272 4.566 2.635 1.00 75.05 C ATOM 0 H TRP A 41 36.628 11.239 3.355 1.00 45.03 H new ATOM 0 HA TRP A 41 33.880 10.926 2.309 1.00 2.42 H new ATOM 0 HB2 TRP A 41 35.436 9.605 4.555 1.00 70.13 H new ATOM 0 HB3 TRP A 41 33.691 9.490 4.443 1.00 70.13 H new ATOM 0 HD1 TRP A 41 36.061 9.268 1.374 1.00 33.11 H new ATOM 0 HE1 TRP A 41 35.796 6.944 0.269 1.00 50.54 H new ATOM 0 HE3 TRP A 41 32.940 7.151 4.824 1.00 73.52 H new ATOM 0 HZ2 TRP A 41 34.429 4.552 0.837 1.00 60.44 H new ATOM 0 HZ3 TRP A 41 32.191 4.832 4.472 1.00 61.10 H new ATOM 0 HH2 TRP A 41 32.930 3.549 2.507 1.00 75.05 H new ATOM 606 N GLU A 42 33.057 12.824 3.661 1.00 73.10 N ATOM 607 CA GLU A 42 32.466 13.874 4.483 1.00 54.20 C ATOM 608 C GLU A 42 31.159 13.401 5.113 1.00 4.34 C ATOM 609 O GLU A 42 30.447 12.558 4.568 1.00 73.22 O ATOM 610 CB GLU A 42 32.214 15.128 3.644 1.00 31.41 C ATOM 611 CG GLU A 42 33.478 15.911 3.326 1.00 53.13 C ATOM 612 CD GLU A 42 33.811 16.938 4.391 1.00 51.31 C ATOM 613 OE1 GLU A 42 33.054 17.922 4.525 1.00 60.43 O1- ATOM 614 OE2 GLU A 42 34.830 16.757 5.090 1.00 64.44 O ATOM 0 H GLU A 42 32.666 12.752 2.722 1.00 73.10 H new ATOM 0 HA GLU A 42 33.169 14.114 5.281 1.00 54.20 H new ATOM 0 HB2 GLU A 42 31.731 14.840 2.711 1.00 31.41 H new ATOM 0 HB3 GLU A 42 31.518 15.777 4.176 1.00 31.41 H new ATOM 0 HG2 GLU A 42 34.313 15.218 3.221 1.00 53.13 H new ATOM 0 HG3 GLU A 42 33.358 16.414 2.366 1.00 53.13 H new ATOM 621 N PRO A 43 30.836 13.957 6.291 1.00 54.34 N ATOM 622 CA PRO A 43 29.614 13.608 7.022 1.00 24.43 C ATOM 623 C PRO A 43 28.356 14.116 6.326 1.00 42.40 C ATOM 624 O PRO A 43 28.176 15.321 6.150 1.00 63.02 O ATOM 625 CB PRO A 43 29.797 14.305 8.372 1.00 15.11 C ATOM 626 CG PRO A 43 30.717 15.442 8.089 1.00 23.24 C ATOM 627 CD PRO A 43 31.637 14.969 6.999 1.00 63.44 C ATOM 0 HA PRO A 43 29.479 12.529 7.099 1.00 24.43 H new ATOM 0 HB2 PRO A 43 28.844 14.656 8.769 1.00 15.11 H new ATOM 0 HB3 PRO A 43 30.221 13.628 9.113 1.00 15.11 H new ATOM 0 HG2 PRO A 43 30.161 16.325 7.774 1.00 23.24 H new ATOM 0 HG3 PRO A 43 31.279 15.720 8.980 1.00 23.24 H new ATOM 0 HD2 PRO A 43 31.929 15.785 6.338 1.00 63.44 H new ATOM 0 HD3 PRO A 43 32.555 14.543 7.405 1.00 63.44 H new ATOM 635 N PHE A 44 27.489 13.190 5.931 1.00 23.33 N ATOM 636 CA PHE A 44 26.248 13.545 5.253 1.00 30.03 C ATOM 637 C PHE A 44 25.050 13.359 6.180 1.00 11.52 C ATOM 638 O PHE A 44 24.134 14.182 6.200 1.00 21.02 O ATOM 639 CB PHE A 44 26.068 12.694 3.994 1.00 54.34 C ATOM 640 CG PHE A 44 24.874 13.086 3.171 1.00 42.35 C ATOM 641 CD1 PHE A 44 23.618 12.582 3.467 1.00 23.01 C ATOM 642 CD2 PHE A 44 25.009 13.956 2.102 1.00 4.03 C ATOM 643 CE1 PHE A 44 22.516 12.941 2.711 1.00 44.13 C ATOM 644 CE2 PHE A 44 23.911 14.320 1.344 1.00 24.11 C ATOM 645 CZ PHE A 44 22.663 13.809 1.648 1.00 75.12 C ATOM 0 H PHE A 44 27.623 12.188 6.069 1.00 23.33 H new ATOM 0 HA PHE A 44 26.307 14.596 4.968 1.00 30.03 H new ATOM 0 HB2 PHE A 44 26.965 12.774 3.380 1.00 54.34 H new ATOM 0 HB3 PHE A 44 25.972 11.647 4.283 1.00 54.34 H new ATOM 0 HD1 PHE A 44 23.498 11.901 4.297 1.00 23.01 H new ATOM 0 HD2 PHE A 44 25.983 14.355 1.858 1.00 4.03 H new ATOM 0 HE1 PHE A 44 21.542 12.542 2.953 1.00 44.13 H new ATOM 0 HE2 PHE A 44 24.028 15.003 0.515 1.00 24.11 H new ATOM 0 HZ PHE A 44 21.805 14.088 1.055 1.00 75.12 H new ATOM 655 N ALA A 45 25.064 12.274 6.947 1.00 71.23 N ATOM 656 CA ALA A 45 23.981 11.981 7.876 1.00 64.43 C ATOM 657 C ALA A 45 24.345 10.821 8.795 1.00 24.31 C ATOM 658 O ALA A 45 25.408 10.215 8.655 1.00 5.31 O ATOM 659 CB ALA A 45 22.700 11.673 7.114 1.00 55.21 C ATOM 0 H ALA A 45 25.814 11.583 6.943 1.00 71.23 H new ATOM 0 HA ALA A 45 23.818 12.863 8.495 1.00 64.43 H new ATOM 0 HB1 ALA A 45 21.899 11.456 7.821 1.00 55.21 H new ATOM 0 HB2 ALA A 45 22.423 12.534 6.505 1.00 55.21 H new ATOM 0 HB3 ALA A 45 22.859 10.809 6.469 1.00 55.21 H new ATOM 665 N SER A 46 23.457 10.515 9.735 1.00 61.42 N ATOM 666 CA SER A 46 23.687 9.428 10.681 1.00 20.23 C ATOM 667 C SER A 46 22.437 9.158 11.513 1.00 55.20 C ATOM 668 O SER A 46 21.552 10.007 11.618 1.00 65.33 O ATOM 669 CB SER A 46 24.862 9.765 11.601 1.00 30.24 C ATOM 670 OG SER A 46 24.613 9.333 12.927 1.00 45.23 O ATOM 0 H SER A 46 22.571 11.004 9.862 1.00 61.42 H new ATOM 0 HA SER A 46 23.925 8.529 10.113 1.00 20.23 H new ATOM 0 HB2 SER A 46 25.769 9.291 11.225 1.00 30.24 H new ATOM 0 HB3 SER A 46 25.037 10.841 11.593 1.00 30.24 H new ATOM 0 HG SER A 46 25.380 9.559 13.494 1.00 45.23 H new ATOM 676 N GLY A 47 22.372 7.968 12.103 1.00 22.52 N ATOM 677 CA GLY A 47 21.227 7.605 12.917 1.00 13.24 C ATOM 678 C GLY A 47 21.148 6.113 13.175 1.00 23.24 C ATOM 679 O GLY A 47 22.124 5.389 12.979 1.00 53.34 O ATOM 0 H GLY A 47 23.092 7.249 12.032 1.00 22.52 H new ATOM 0 HA2 GLY A 47 21.280 8.133 13.869 1.00 13.24 H new ATOM 0 HA3 GLY A 47 20.314 7.934 12.421 1.00 13.24 H new ATOM 683 N LYS A 48 19.984 5.652 13.617 1.00 71.53 N ATOM 684 CA LYS A 48 19.780 4.237 13.903 1.00 65.33 C ATOM 685 C LYS A 48 18.523 3.717 13.213 1.00 1.25 C ATOM 686 O LYS A 48 17.464 4.343 13.276 1.00 42.23 O ATOM 687 CB LYS A 48 19.676 4.010 15.414 1.00 75.34 C ATOM 688 CG LYS A 48 20.999 3.651 16.067 1.00 22.40 C ATOM 689 CD LYS A 48 20.838 3.417 17.560 1.00 43.34 C ATOM 690 CE LYS A 48 20.460 4.699 18.287 1.00 30.21 C ATOM 691 NZ LYS A 48 21.212 4.857 19.562 1.00 35.43 N1+ ATOM 0 H LYS A 48 19.166 6.238 13.785 1.00 71.53 H new ATOM 0 HA LYS A 48 20.639 3.687 13.517 1.00 65.33 H new ATOM 0 HB2 LYS A 48 19.282 4.912 15.882 1.00 75.34 H new ATOM 0 HB3 LYS A 48 18.958 3.212 15.605 1.00 75.34 H new ATOM 0 HG2 LYS A 48 21.405 2.754 15.599 1.00 22.40 H new ATOM 0 HG3 LYS A 48 21.718 4.453 15.899 1.00 22.40 H new ATOM 0 HD2 LYS A 48 20.071 2.661 17.730 1.00 43.34 H new ATOM 0 HD3 LYS A 48 21.769 3.025 17.971 1.00 43.34 H new ATOM 0 HE2 LYS A 48 20.657 5.554 17.641 1.00 30.21 H new ATOM 0 HE3 LYS A 48 19.390 4.697 18.495 1.00 30.21 H new ATOM 0 HZ1 LYS A 48 20.926 5.742 20.027 1.00 35.43 H new ATOM 0 HZ2 LYS A 48 21.004 4.054 20.189 1.00 35.43 H new ATOM 0 HZ3 LYS A 48 22.232 4.885 19.362 1.00 35.43 H new ATOM 705 N THR A 49 18.645 2.569 12.556 1.00 51.42 N ATOM 706 CA THR A 49 17.520 1.965 11.854 1.00 70.12 C ATOM 707 C THR A 49 16.348 1.727 12.799 1.00 10.11 C ATOM 708 O THR A 49 16.474 1.886 14.013 1.00 53.44 O ATOM 709 CB THR A 49 17.916 0.629 11.199 1.00 52.42 C ATOM 710 OG1 THR A 49 18.166 -0.356 12.207 1.00 74.22 O ATOM 711 CG2 THR A 49 19.154 0.799 10.332 1.00 34.12 C ATOM 0 H THR A 49 19.514 2.038 12.495 1.00 51.42 H new ATOM 0 HA THR A 49 17.220 2.666 11.075 1.00 70.12 H new ATOM 0 HB THR A 49 17.091 0.300 10.568 1.00 52.42 H new ATOM 0 HG1 THR A 49 17.426 -0.999 12.227 1.00 74.22 H new ATOM 0 HG21 THR A 49 19.415 -0.158 9.879 1.00 34.12 H new ATOM 0 HG22 THR A 49 18.952 1.528 9.548 1.00 34.12 H new ATOM 0 HG23 THR A 49 19.984 1.148 10.947 1.00 34.12 H new ATOM 719 N SER A 50 15.207 1.342 12.235 1.00 34.50 N ATOM 720 CA SER A 50 14.010 1.084 13.027 1.00 20.42 C ATOM 721 C SER A 50 13.441 -0.296 12.718 1.00 73.51 C ATOM 722 O SER A 50 13.919 -0.989 11.820 1.00 35.41 O ATOM 723 CB SER A 50 12.953 2.157 12.758 1.00 43.22 C ATOM 724 OG SER A 50 11.961 2.161 13.769 1.00 64.44 O ATOM 0 H SER A 50 15.087 1.202 11.232 1.00 34.50 H new ATOM 0 HA SER A 50 14.288 1.115 14.080 1.00 20.42 H new ATOM 0 HB2 SER A 50 13.429 3.136 12.708 1.00 43.22 H new ATOM 0 HB3 SER A 50 12.488 1.979 11.789 1.00 43.22 H new ATOM 0 HG SER A 50 11.299 2.857 13.575 1.00 64.44 H new ATOM 730 N GLU A 51 12.417 -0.690 13.469 1.00 30.32 N ATOM 731 CA GLU A 51 11.783 -1.989 13.276 1.00 23.23 C ATOM 732 C GLU A 51 11.031 -2.035 11.949 1.00 40.22 C ATOM 733 O GLU A 51 10.567 -3.092 11.522 1.00 52.42 O ATOM 734 CB GLU A 51 10.823 -2.289 14.428 1.00 74.31 C ATOM 735 CG GLU A 51 9.896 -1.133 14.765 1.00 31.32 C ATOM 736 CD GLU A 51 8.432 -1.517 14.686 1.00 73.14 C ATOM 737 OE1 GLU A 51 8.067 -2.580 15.231 1.00 52.03 O ATOM 738 OE2 GLU A 51 7.650 -0.756 14.079 1.00 65.12 O1- ATOM 0 H GLU A 51 12.009 -0.128 14.216 1.00 30.32 H new ATOM 0 HA GLU A 51 12.566 -2.747 13.258 1.00 23.23 H new ATOM 0 HB2 GLU A 51 10.223 -3.162 14.172 1.00 74.31 H new ATOM 0 HB3 GLU A 51 11.402 -2.549 15.314 1.00 74.31 H new ATOM 0 HG2 GLU A 51 10.120 -0.774 15.769 1.00 31.32 H new ATOM 0 HG3 GLU A 51 10.088 -0.307 14.081 1.00 31.32 H new ATOM 745 N SER A 52 10.915 -0.880 11.301 1.00 1.54 N ATOM 746 CA SER A 52 10.216 -0.786 10.024 1.00 44.12 C ATOM 747 C SER A 52 11.207 -0.728 8.865 1.00 3.03 C ATOM 748 O SER A 52 10.819 -0.571 7.708 1.00 54.51 O ATOM 749 CB SER A 52 9.314 0.449 10.001 1.00 55.52 C ATOM 750 OG SER A 52 8.394 0.388 8.926 1.00 34.12 O ATOM 0 H SER A 52 11.296 0.004 11.639 1.00 1.54 H new ATOM 0 HA SER A 52 9.600 -1.678 9.909 1.00 44.12 H new ATOM 0 HB2 SER A 52 8.772 0.525 10.944 1.00 55.52 H new ATOM 0 HB3 SER A 52 9.924 1.347 9.911 1.00 55.52 H new ATOM 0 HG SER A 52 8.709 0.958 8.193 1.00 34.12 H new ATOM 756 N GLY A 53 12.492 -0.857 9.185 1.00 14.45 N ATOM 757 CA GLY A 53 13.519 -0.816 8.162 1.00 40.03 C ATOM 758 C GLY A 53 13.670 0.560 7.547 1.00 14.23 C ATOM 759 O GLY A 53 14.183 0.698 6.436 1.00 21.34 O ATOM 0 H GLY A 53 12.839 -0.989 10.135 1.00 14.45 H new ATOM 0 HA2 GLY A 53 14.471 -1.124 8.595 1.00 40.03 H new ATOM 0 HA3 GLY A 53 13.277 -1.536 7.380 1.00 40.03 H new ATOM 763 N GLU A 54 13.222 1.583 8.269 1.00 31.13 N ATOM 764 CA GLU A 54 13.307 2.956 7.785 1.00 52.11 C ATOM 765 C GLU A 54 13.912 3.869 8.846 1.00 0.31 C ATOM 766 O GLU A 54 13.484 3.867 10.002 1.00 51.32 O ATOM 767 CB GLU A 54 11.921 3.466 7.385 1.00 40.52 C ATOM 768 CG GLU A 54 10.952 3.572 8.550 1.00 10.03 C ATOM 769 CD GLU A 54 9.513 3.331 8.135 1.00 73.01 C ATOM 770 OE1 GLU A 54 9.272 2.391 7.350 1.00 75.13 O1- ATOM 771 OE2 GLU A 54 8.629 4.083 8.597 1.00 31.31 O ATOM 0 H GLU A 54 12.797 1.487 9.191 1.00 31.13 H new ATOM 0 HA GLU A 54 13.956 2.967 6.909 1.00 52.11 H new ATOM 0 HB2 GLU A 54 12.024 4.446 6.919 1.00 40.52 H new ATOM 0 HB3 GLU A 54 11.500 2.798 6.633 1.00 40.52 H new ATOM 0 HG2 GLU A 54 11.231 2.849 9.317 1.00 10.03 H new ATOM 0 HG3 GLU A 54 11.036 4.562 8.999 1.00 10.03 H new ATOM 778 N LEU A 55 14.910 4.650 8.447 1.00 5.54 N ATOM 779 CA LEU A 55 15.575 5.570 9.363 1.00 34.15 C ATOM 780 C LEU A 55 15.025 6.985 9.210 1.00 70.31 C ATOM 781 O LEU A 55 14.355 7.298 8.225 1.00 34.41 O ATOM 782 CB LEU A 55 17.084 5.568 9.114 1.00 4.21 C ATOM 783 CG LEU A 55 17.966 5.314 10.336 1.00 2.23 C ATOM 784 CD1 LEU A 55 19.284 4.679 9.919 1.00 50.42 C ATOM 785 CD2 LEU A 55 18.212 6.609 11.095 1.00 14.12 C ATOM 0 H LEU A 55 15.276 4.664 7.495 1.00 5.54 H new ATOM 0 HA LEU A 55 15.380 5.233 10.381 1.00 34.15 H new ATOM 0 HB2 LEU A 55 17.307 4.808 8.366 1.00 4.21 H new ATOM 0 HB3 LEU A 55 17.362 6.530 8.684 1.00 4.21 H new ATOM 0 HG LEU A 55 17.446 4.622 10.999 1.00 2.23 H new ATOM 0 HD11 LEU A 55 19.899 4.505 10.802 1.00 50.42 H new ATOM 0 HD12 LEU A 55 19.089 3.730 9.420 1.00 50.42 H new ATOM 0 HD13 LEU A 55 19.809 5.346 9.236 1.00 50.42 H new ATOM 0 HD21 LEU A 55 18.842 6.409 11.962 1.00 14.12 H new ATOM 0 HD22 LEU A 55 18.711 7.325 10.442 1.00 14.12 H new ATOM 0 HD23 LEU A 55 17.260 7.023 11.426 1.00 14.12 H new ATOM 797 N HIS A 56 15.313 7.836 10.189 1.00 5.15 N ATOM 798 CA HIS A 56 14.849 9.219 10.162 1.00 13.42 C ATOM 799 C HIS A 56 15.276 9.909 8.870 1.00 51.22 C ATOM 800 O HIS A 56 15.910 9.301 8.009 1.00 34.12 O ATOM 801 CB HIS A 56 15.393 9.986 11.367 1.00 32.12 C ATOM 802 CG HIS A 56 14.654 9.704 12.639 1.00 53.30 C ATOM 803 ND1 HIS A 56 14.491 8.433 13.149 1.00 23.11 N ATOM 804 CD2 HIS A 56 14.033 10.538 13.506 1.00 72.43 C ATOM 805 CE1 HIS A 56 13.801 8.498 14.274 1.00 1.32 C ATOM 806 NE2 HIS A 56 13.511 9.765 14.512 1.00 3.25 N ATOM 0 H HIS A 56 15.865 7.593 11.011 1.00 5.15 H new ATOM 0 HA HIS A 56 13.760 9.212 10.208 1.00 13.42 H new ATOM 0 HB2 HIS A 56 16.445 9.734 11.504 1.00 32.12 H new ATOM 0 HB3 HIS A 56 15.346 11.055 11.158 1.00 32.12 H new ATOM 0 HD2 HIS A 56 13.962 11.612 13.421 1.00 72.43 H new ATOM 0 HE1 HIS A 56 13.522 7.659 14.893 1.00 1.32 H new ATOM 0 HE2 HIS A 56 12.984 10.112 15.314 1.00 3.25 H new ATOM 814 N GLY A 57 14.924 11.185 8.741 1.00 61.41 N ATOM 815 CA GLY A 57 15.279 11.937 7.551 1.00 74.22 C ATOM 816 C GLY A 57 16.748 12.310 7.518 1.00 32.15 C ATOM 817 O GLY A 57 17.100 13.484 7.630 1.00 74.24 O ATOM 0 H GLY A 57 14.399 11.711 9.440 1.00 61.41 H new ATOM 0 HA2 GLY A 57 15.037 11.347 6.667 1.00 74.22 H new ATOM 0 HA3 GLY A 57 14.676 12.844 7.504 1.00 74.22 H new ATOM 821 N LEU A 58 17.606 11.308 7.364 1.00 71.24 N ATOM 822 CA LEU A 58 19.047 11.537 7.318 1.00 13.14 C ATOM 823 C LEU A 58 19.407 12.515 6.204 1.00 72.13 C ATOM 824 O LEU A 58 20.406 13.232 6.291 1.00 54.40 O ATOM 825 CB LEU A 58 19.786 10.214 7.110 1.00 52.25 C ATOM 826 CG LEU A 58 20.418 9.594 8.357 1.00 45.12 C ATOM 827 CD1 LEU A 58 19.370 8.859 9.177 1.00 71.41 C ATOM 828 CD2 LEU A 58 21.551 8.655 7.970 1.00 33.14 C ATOM 0 H LEU A 58 17.330 10.331 7.269 1.00 71.24 H new ATOM 0 HA LEU A 58 19.353 11.971 8.270 1.00 13.14 H new ATOM 0 HB2 LEU A 58 19.087 9.494 6.685 1.00 52.25 H new ATOM 0 HB3 LEU A 58 20.570 10.372 6.370 1.00 52.25 H new ATOM 0 HG LEU A 58 20.831 10.396 8.969 1.00 45.12 H new ATOM 0 HD11 LEU A 58 19.838 8.424 10.060 1.00 71.41 H new ATOM 0 HD12 LEU A 58 18.593 9.558 9.485 1.00 71.41 H new ATOM 0 HD13 LEU A 58 18.927 8.066 8.574 1.00 71.41 H new ATOM 0 HD21 LEU A 58 21.989 8.223 8.870 1.00 33.14 H new ATOM 0 HD22 LEU A 58 21.162 7.857 7.337 1.00 33.14 H new ATOM 0 HD23 LEU A 58 22.314 9.211 7.426 1.00 33.14 H new ATOM 840 N THR A 59 18.588 12.541 5.158 1.00 63.43 N ATOM 841 CA THR A 59 18.818 13.432 4.028 1.00 22.11 C ATOM 842 C THR A 59 19.025 14.868 4.493 1.00 64.24 C ATOM 843 O THR A 59 18.585 15.250 5.578 1.00 72.41 O ATOM 844 CB THR A 59 17.646 13.391 3.031 1.00 73.42 C ATOM 845 OG1 THR A 59 16.493 14.019 3.603 1.00 35.32 O ATOM 846 CG2 THR A 59 17.310 11.957 2.649 1.00 74.22 C ATOM 0 H THR A 59 17.758 11.954 5.070 1.00 63.43 H new ATOM 0 HA THR A 59 19.721 13.081 3.529 1.00 22.11 H new ATOM 0 HB THR A 59 17.945 13.930 2.132 1.00 73.42 H new ATOM 0 HG1 THR A 59 15.753 13.990 2.962 1.00 35.32 H new ATOM 0 HG21 THR A 59 16.479 11.954 1.944 1.00 74.22 H new ATOM 0 HG22 THR A 59 18.180 11.490 2.187 1.00 74.22 H new ATOM 0 HG23 THR A 59 17.030 11.399 3.542 1.00 74.22 H new ATOM 854 N THR A 60 19.696 15.664 3.665 1.00 12.24 N ATOM 855 CA THR A 60 19.961 17.059 3.993 1.00 43.44 C ATOM 856 C THR A 60 20.070 17.908 2.732 1.00 34.10 C ATOM 857 O THR A 60 19.897 17.410 1.621 1.00 22.23 O ATOM 858 CB THR A 60 21.258 17.208 4.812 1.00 21.12 C ATOM 859 OG1 THR A 60 22.332 16.526 4.156 1.00 74.34 O ATOM 860 CG2 THR A 60 21.077 16.650 6.215 1.00 41.12 C ATOM 0 H THR A 60 20.066 15.366 2.762 1.00 12.24 H new ATOM 0 HA THR A 60 19.120 17.408 4.592 1.00 43.44 H new ATOM 0 HB THR A 60 21.495 18.269 4.888 1.00 21.12 H new ATOM 0 HG1 THR A 60 23.153 16.627 4.682 1.00 74.34 H new ATOM 0 HG21 THR A 60 22.005 16.766 6.775 1.00 41.12 H new ATOM 0 HG22 THR A 60 20.278 17.191 6.721 1.00 41.12 H new ATOM 0 HG23 THR A 60 20.819 15.593 6.156 1.00 41.12 H new ATOM 868 N GLU A 61 20.359 19.193 2.913 1.00 14.50 N ATOM 869 CA GLU A 61 20.491 20.111 1.787 1.00 24.54 C ATOM 870 C GLU A 61 21.606 19.663 0.847 1.00 54.52 C ATOM 871 O GLU A 61 21.657 20.075 -0.312 1.00 63.11 O ATOM 872 CB GLU A 61 20.771 21.530 2.288 1.00 35.23 C ATOM 873 CG GLU A 61 21.921 21.610 3.277 1.00 25.21 C ATOM 874 CD GLU A 61 22.366 23.036 3.540 1.00 70.35 C ATOM 875 OE1 GLU A 61 21.870 23.950 2.848 1.00 33.30 O ATOM 876 OE2 GLU A 61 23.209 23.238 4.439 1.00 13.54 O1- ATOM 0 H GLU A 61 20.506 19.621 3.827 1.00 14.50 H new ATOM 0 HA GLU A 61 19.551 20.106 1.235 1.00 24.54 H new ATOM 0 HB2 GLU A 61 20.992 22.171 1.434 1.00 35.23 H new ATOM 0 HB3 GLU A 61 19.870 21.925 2.758 1.00 35.23 H new ATOM 0 HG2 GLU A 61 21.620 21.148 4.217 1.00 25.21 H new ATOM 0 HG3 GLU A 61 22.764 21.035 2.895 1.00 25.21 H new ATOM 883 N GLU A 62 22.496 18.817 1.355 1.00 72.32 N ATOM 884 CA GLU A 62 23.611 18.314 0.561 1.00 31.42 C ATOM 885 C GLU A 62 23.161 17.174 -0.348 1.00 1.45 C ATOM 886 O GLU A 62 23.953 16.628 -1.114 1.00 71.41 O ATOM 887 CB GLU A 62 24.742 17.837 1.474 1.00 1.21 C ATOM 888 CG GLU A 62 25.552 18.969 2.083 1.00 10.03 C ATOM 889 CD GLU A 62 26.604 18.476 3.057 1.00 2.43 C ATOM 890 OE1 GLU A 62 27.584 17.850 2.603 1.00 75.13 O ATOM 891 OE2 GLU A 62 26.448 18.715 4.272 1.00 32.10 O1- ATOM 0 H GLU A 62 22.467 18.466 2.312 1.00 72.32 H new ATOM 0 HA GLU A 62 23.977 19.130 -0.062 1.00 31.42 H new ATOM 0 HB2 GLU A 62 24.319 17.232 2.276 1.00 1.21 H new ATOM 0 HB3 GLU A 62 25.409 17.190 0.904 1.00 1.21 H new ATOM 0 HG2 GLU A 62 26.036 19.534 1.286 1.00 10.03 H new ATOM 0 HG3 GLU A 62 24.880 19.656 2.597 1.00 10.03 H new ATOM 898 N GLU A 63 21.882 16.820 -0.255 1.00 1.55 N ATOM 899 CA GLU A 63 21.328 15.743 -1.067 1.00 2.15 C ATOM 900 C GLU A 63 21.327 16.122 -2.545 1.00 33.05 C ATOM 901 O GLU A 63 21.171 15.268 -3.417 1.00 33.04 O ATOM 902 CB GLU A 63 19.904 15.414 -0.612 1.00 4.33 C ATOM 903 CG GLU A 63 18.878 16.459 -1.020 1.00 54.34 C ATOM 904 CD GLU A 63 17.471 16.093 -0.588 1.00 22.40 C ATOM 905 OE1 GLU A 63 17.323 15.154 0.222 1.00 61.14 O ATOM 906 OE2 GLU A 63 16.517 16.746 -1.061 1.00 12.13 O1- ATOM 0 H GLU A 63 21.212 17.263 0.374 1.00 1.55 H new ATOM 0 HA GLU A 63 21.957 14.862 -0.936 1.00 2.15 H new ATOM 0 HB2 GLU A 63 19.613 14.449 -1.027 1.00 4.33 H new ATOM 0 HB3 GLU A 63 19.893 15.310 0.473 1.00 4.33 H new ATOM 0 HG2 GLU A 63 19.150 17.420 -0.583 1.00 54.34 H new ATOM 0 HG3 GLU A 63 18.901 16.583 -2.103 1.00 54.34 H new ATOM 913 N PHE A 64 21.501 17.411 -2.819 1.00 14.24 N ATOM 914 CA PHE A 64 21.518 17.905 -4.191 1.00 42.31 C ATOM 915 C PHE A 64 22.921 17.815 -4.784 1.00 11.50 C ATOM 916 O PHE A 64 23.451 18.795 -5.307 1.00 32.43 O ATOM 917 CB PHE A 64 21.024 19.353 -4.241 1.00 12.40 C ATOM 918 CG PHE A 64 19.529 19.478 -4.180 1.00 41.53 C ATOM 919 CD1 PHE A 64 18.834 19.106 -3.040 1.00 45.43 C ATOM 920 CD2 PHE A 64 18.816 19.967 -5.264 1.00 43.22 C ATOM 921 CE1 PHE A 64 17.458 19.220 -2.981 1.00 42.01 C ATOM 922 CE2 PHE A 64 17.440 20.084 -5.210 1.00 2.15 C ATOM 923 CZ PHE A 64 16.761 19.708 -4.068 1.00 13.33 C ATOM 0 H PHE A 64 21.632 18.132 -2.109 1.00 14.24 H new ATOM 0 HA PHE A 64 20.850 17.280 -4.784 1.00 42.31 H new ATOM 0 HB2 PHE A 64 21.461 19.907 -3.410 1.00 12.40 H new ATOM 0 HB3 PHE A 64 21.383 19.819 -5.159 1.00 12.40 H new ATOM 0 HD1 PHE A 64 19.374 18.722 -2.187 1.00 45.43 H new ATOM 0 HD2 PHE A 64 19.342 20.260 -6.161 1.00 43.22 H new ATOM 0 HE1 PHE A 64 16.929 18.928 -2.086 1.00 42.01 H new ATOM 0 HE2 PHE A 64 16.896 20.469 -6.060 1.00 2.15 H new ATOM 0 HZ PHE A 64 15.685 19.796 -4.025 1.00 13.33 H new ATOM 933 N VAL A 65 23.519 16.630 -4.697 1.00 14.35 N ATOM 934 CA VAL A 65 24.860 16.410 -5.224 1.00 53.13 C ATOM 935 C VAL A 65 24.840 15.409 -6.374 1.00 62.20 C ATOM 936 O VAL A 65 23.778 14.942 -6.786 1.00 61.02 O ATOM 937 CB VAL A 65 25.816 15.900 -4.131 1.00 52.31 C ATOM 938 CG1 VAL A 65 26.052 16.977 -3.083 1.00 53.55 C ATOM 939 CG2 VAL A 65 25.267 14.633 -3.491 1.00 75.10 C ATOM 0 H VAL A 65 23.095 15.808 -4.266 1.00 14.35 H new ATOM 0 HA VAL A 65 25.219 17.372 -5.589 1.00 53.13 H new ATOM 0 HB VAL A 65 26.774 15.660 -4.593 1.00 52.31 H new ATOM 0 HG11 VAL A 65 26.730 16.598 -2.318 1.00 53.55 H new ATOM 0 HG12 VAL A 65 26.492 17.855 -3.556 1.00 53.55 H new ATOM 0 HG13 VAL A 65 25.103 17.251 -2.622 1.00 53.55 H new ATOM 0 HG21 VAL A 65 25.956 14.287 -2.721 1.00 75.10 H new ATOM 0 HG22 VAL A 65 24.296 14.843 -3.042 1.00 75.10 H new ATOM 0 HG23 VAL A 65 25.155 13.860 -4.252 1.00 75.10 H new ATOM 949 N GLU A 66 26.022 15.083 -6.889 1.00 2.51 N ATOM 950 CA GLU A 66 26.140 14.138 -7.992 1.00 74.43 C ATOM 951 C GLU A 66 25.350 12.865 -7.704 1.00 23.21 C ATOM 952 O GLU A 66 24.629 12.359 -8.564 1.00 2.04 O ATOM 953 CB GLU A 66 27.609 13.793 -8.243 1.00 20.43 C ATOM 954 CG GLU A 66 28.496 15.012 -8.436 1.00 34.14 C ATOM 955 CD GLU A 66 29.870 14.656 -8.970 1.00 41.54 C ATOM 956 OE1 GLU A 66 30.770 14.379 -8.150 1.00 71.33 O ATOM 957 OE2 GLU A 66 30.045 14.654 -10.206 1.00 10.42 O1- ATOM 0 H GLU A 66 26.911 15.460 -6.559 1.00 2.51 H new ATOM 0 HA GLU A 66 25.727 14.608 -8.885 1.00 74.43 H new ATOM 0 HB2 GLU A 66 27.985 13.210 -7.403 1.00 20.43 H new ATOM 0 HB3 GLU A 66 27.679 13.160 -9.127 1.00 20.43 H new ATOM 0 HG2 GLU A 66 28.011 15.704 -9.124 1.00 34.14 H new ATOM 0 HG3 GLU A 66 28.604 15.532 -7.484 1.00 34.14 H new ATOM 964 N GLY A 67 25.491 12.350 -6.486 1.00 71.33 N ATOM 965 CA GLY A 67 24.786 11.140 -6.106 1.00 61.34 C ATOM 966 C GLY A 67 25.651 10.195 -5.296 1.00 70.12 C ATOM 967 O GLY A 67 25.172 9.174 -4.802 1.00 52.23 O ATOM 0 H GLY A 67 26.081 12.749 -5.756 1.00 71.33 H new ATOM 0 HA2 GLY A 67 23.902 11.405 -5.526 1.00 61.34 H new ATOM 0 HA3 GLY A 67 24.437 10.629 -7.004 1.00 61.34 H new ATOM 971 N ILE A 68 26.929 10.534 -5.162 1.00 31.34 N ATOM 972 CA ILE A 68 27.862 9.707 -4.407 1.00 24.21 C ATOM 973 C ILE A 68 27.511 9.695 -2.923 1.00 41.21 C ATOM 974 O ILE A 68 27.502 10.739 -2.269 1.00 52.24 O ATOM 975 CB ILE A 68 29.313 10.197 -4.577 1.00 2.11 C ATOM 976 CG1 ILE A 68 29.646 10.369 -6.060 1.00 53.05 C ATOM 977 CG2 ILE A 68 30.281 9.225 -3.919 1.00 43.11 C ATOM 978 CD1 ILE A 68 30.989 11.021 -6.306 1.00 24.51 C ATOM 0 H ILE A 68 27.341 11.375 -5.566 1.00 31.34 H new ATOM 0 HA ILE A 68 27.780 8.695 -4.804 1.00 24.21 H new ATOM 0 HB ILE A 68 29.414 11.166 -4.087 1.00 2.11 H new ATOM 0 HG12 ILE A 68 29.632 9.392 -6.543 1.00 53.05 H new ATOM 0 HG13 ILE A 68 28.868 10.969 -6.532 1.00 53.05 H new ATOM 0 HG21 ILE A 68 31.302 9.585 -4.048 1.00 43.11 H new ATOM 0 HG22 ILE A 68 30.054 9.150 -2.856 1.00 43.11 H new ATOM 0 HG23 ILE A 68 30.182 8.243 -4.382 1.00 43.11 H new ATOM 0 HD11 ILE A 68 31.159 11.111 -7.379 1.00 24.51 H new ATOM 0 HD12 ILE A 68 31.001 12.012 -5.852 1.00 24.51 H new ATOM 0 HD13 ILE A 68 31.776 10.410 -5.864 1.00 24.51 H new ATOM 990 N TYR A 69 27.224 8.510 -2.398 1.00 43.21 N ATOM 991 CA TYR A 69 26.872 8.362 -0.991 1.00 1.03 C ATOM 992 C TYR A 69 27.441 7.067 -0.420 1.00 42.24 C ATOM 993 O TYR A 69 27.192 5.980 -0.944 1.00 25.42 O ATOM 994 CB TYR A 69 25.353 8.384 -0.819 1.00 41.35 C ATOM 995 CG TYR A 69 24.707 9.662 -1.305 1.00 60.55 C ATOM 996 CD1 TYR A 69 25.045 10.889 -0.747 1.00 42.53 C ATOM 997 CD2 TYR A 69 23.759 9.643 -2.320 1.00 31.35 C ATOM 998 CE1 TYR A 69 24.457 12.059 -1.187 1.00 61.22 C ATOM 999 CE2 TYR A 69 23.168 10.808 -2.767 1.00 73.53 C ATOM 1000 CZ TYR A 69 23.519 12.013 -2.198 1.00 22.23 C ATOM 1001 OH TYR A 69 22.931 13.177 -2.640 1.00 34.52 O ATOM 0 H TYR A 69 27.228 7.637 -2.926 1.00 43.21 H new ATOM 0 HA TYR A 69 27.305 9.200 -0.444 1.00 1.03 H new ATOM 0 HB2 TYR A 69 24.922 7.541 -1.359 1.00 41.35 H new ATOM 0 HB3 TYR A 69 25.113 8.243 0.235 1.00 41.35 H new ATOM 0 HD1 TYR A 69 25.780 10.929 0.044 1.00 42.53 H new ATOM 0 HD2 TYR A 69 23.479 8.701 -2.767 1.00 31.35 H new ATOM 0 HE1 TYR A 69 24.730 13.005 -0.742 1.00 61.22 H new ATOM 0 HE2 TYR A 69 22.434 10.775 -3.559 1.00 73.53 H new ATOM 0 HH TYR A 69 22.294 12.971 -3.356 1.00 34.52 H new ATOM 1011 N LYS A 70 28.208 7.190 0.659 1.00 53.02 N ATOM 1012 CA LYS A 70 28.812 6.030 1.305 1.00 22.35 C ATOM 1013 C LYS A 70 28.268 5.849 2.718 1.00 44.40 C ATOM 1014 O LYS A 70 28.639 6.581 3.635 1.00 32.24 O ATOM 1015 CB LYS A 70 30.334 6.181 1.348 1.00 11.12 C ATOM 1016 CG LYS A 70 30.798 7.612 1.560 1.00 64.32 C ATOM 1017 CD LYS A 70 31.020 8.327 0.238 1.00 64.11 C ATOM 1018 CE LYS A 70 32.372 9.022 0.200 1.00 50.51 C ATOM 1019 NZ LYS A 70 33.064 8.818 -1.102 1.00 34.32 N1+ ATOM 0 H LYS A 70 28.426 8.081 1.104 1.00 53.02 H new ATOM 0 HA LYS A 70 28.557 5.146 0.721 1.00 22.35 H new ATOM 0 HB2 LYS A 70 30.730 5.557 2.149 1.00 11.12 H new ATOM 0 HB3 LYS A 70 30.754 5.806 0.415 1.00 11.12 H new ATOM 0 HG2 LYS A 70 30.056 8.153 2.147 1.00 64.32 H new ATOM 0 HG3 LYS A 70 31.723 7.614 2.136 1.00 64.32 H new ATOM 0 HD2 LYS A 70 30.955 7.610 -0.580 1.00 64.11 H new ATOM 0 HD3 LYS A 70 30.228 9.060 0.082 1.00 64.11 H new ATOM 0 HE2 LYS A 70 32.237 10.089 0.376 1.00 50.51 H new ATOM 0 HE3 LYS A 70 32.998 8.643 1.007 1.00 50.51 H new ATOM 0 HZ1 LYS A 70 33.743 9.590 -1.259 1.00 34.32 H new ATOM 0 HZ2 LYS A 70 33.570 7.909 -1.088 1.00 34.32 H new ATOM 0 HZ3 LYS A 70 32.363 8.812 -1.870 1.00 34.32 H new ATOM 1033 N VAL A 71 27.385 4.870 2.887 1.00 65.12 N ATOM 1034 CA VAL A 71 26.791 4.592 4.189 1.00 43.30 C ATOM 1035 C VAL A 71 27.514 3.445 4.889 1.00 4.12 C ATOM 1036 O VAL A 71 27.957 2.494 4.246 1.00 32.12 O ATOM 1037 CB VAL A 71 25.298 4.240 4.062 1.00 43.54 C ATOM 1038 CG1 VAL A 71 24.680 4.024 5.436 1.00 72.13 C ATOM 1039 CG2 VAL A 71 24.558 5.329 3.301 1.00 13.51 C ATOM 0 H VAL A 71 27.065 4.256 2.138 1.00 65.12 H new ATOM 0 HA VAL A 71 26.893 5.500 4.783 1.00 43.30 H new ATOM 0 HB VAL A 71 25.208 3.310 3.500 1.00 43.54 H new ATOM 0 HG11 VAL A 71 23.624 3.776 5.325 1.00 72.13 H new ATOM 0 HG12 VAL A 71 25.194 3.206 5.942 1.00 72.13 H new ATOM 0 HG13 VAL A 71 24.779 4.935 6.027 1.00 72.13 H new ATOM 0 HG21 VAL A 71 23.504 5.064 3.220 1.00 13.51 H new ATOM 0 HG22 VAL A 71 24.655 6.275 3.834 1.00 13.51 H new ATOM 0 HG23 VAL A 71 24.984 5.429 2.303 1.00 13.51 H new ATOM 1049 N GLU A 72 27.630 3.545 6.209 1.00 21.11 N ATOM 1050 CA GLU A 72 28.301 2.516 6.996 1.00 23.21 C ATOM 1051 C GLU A 72 27.406 2.031 8.134 1.00 64.10 C ATOM 1052 O GLU A 72 26.735 2.827 8.791 1.00 4.11 O ATOM 1053 CB GLU A 72 29.617 3.052 7.562 1.00 23.23 C ATOM 1054 CG GLU A 72 29.462 3.766 8.895 1.00 11.22 C ATOM 1055 CD GLU A 72 30.577 4.760 9.157 1.00 2.12 C ATOM 1056 OE1 GLU A 72 31.115 5.317 8.178 1.00 13.44 O ATOM 1057 OE2 GLU A 72 30.910 4.979 10.340 1.00 15.25 O1- ATOM 0 H GLU A 72 27.269 4.327 6.756 1.00 21.11 H new ATOM 0 HA GLU A 72 28.513 1.673 6.338 1.00 23.21 H new ATOM 0 HB2 GLU A 72 30.315 2.223 7.682 1.00 23.23 H new ATOM 0 HB3 GLU A 72 30.060 3.739 6.841 1.00 23.23 H new ATOM 0 HG2 GLU A 72 28.504 4.286 8.915 1.00 11.22 H new ATOM 0 HG3 GLU A 72 29.441 3.029 9.698 1.00 11.22 H new ATOM 1064 N ILE A 73 27.400 0.722 8.358 1.00 64.22 N ATOM 1065 CA ILE A 73 26.588 0.132 9.415 1.00 54.32 C ATOM 1066 C ILE A 73 27.463 -0.511 10.486 1.00 14.42 C ATOM 1067 O ILE A 73 28.335 -1.325 10.184 1.00 11.03 O ATOM 1068 CB ILE A 73 25.619 -0.927 8.856 1.00 65.52 C ATOM 1069 CG1 ILE A 73 24.739 -0.318 7.763 1.00 2.33 C ATOM 1070 CG2 ILE A 73 24.763 -1.503 9.974 1.00 24.31 C ATOM 1071 CD1 ILE A 73 24.740 -1.110 6.474 1.00 1.34 C ATOM 0 H ILE A 73 27.948 0.049 7.822 1.00 64.22 H new ATOM 0 HA ILE A 73 26.010 0.943 9.859 1.00 54.32 H new ATOM 0 HB ILE A 73 26.202 -1.737 8.417 1.00 65.52 H new ATOM 0 HG12 ILE A 73 23.716 -0.242 8.132 1.00 2.33 H new ATOM 0 HG13 ILE A 73 25.080 0.697 7.557 1.00 2.33 H new ATOM 0 HG21 ILE A 73 24.083 -2.250 9.564 1.00 24.31 H new ATOM 0 HG22 ILE A 73 25.406 -1.969 10.721 1.00 24.31 H new ATOM 0 HG23 ILE A 73 24.186 -0.704 10.439 1.00 24.31 H new ATOM 0 HD11 ILE A 73 24.095 -0.619 5.745 1.00 1.34 H new ATOM 0 HD12 ILE A 73 25.755 -1.165 6.081 1.00 1.34 H new ATOM 0 HD13 ILE A 73 24.370 -2.117 6.666 1.00 1.34 H new ATOM 1083 N ASP A 74 27.223 -0.140 11.738 1.00 44.44 N ATOM 1084 CA ASP A 74 27.987 -0.682 12.856 1.00 10.11 C ATOM 1085 C ASP A 74 27.240 -1.837 13.517 1.00 13.42 C ATOM 1086 O ASP A 74 26.413 -1.628 14.406 1.00 64.24 O ATOM 1087 CB ASP A 74 28.273 0.413 13.886 1.00 20.22 C ATOM 1088 CG ASP A 74 29.757 0.652 14.080 1.00 1.12 C ATOM 1089 OD1 ASP A 74 30.356 1.368 13.250 1.00 11.04 O ATOM 1090 OD2 ASP A 74 30.320 0.121 15.061 1.00 62.12 O1- ATOM 0 H ASP A 74 26.505 0.534 12.005 1.00 44.44 H new ATOM 0 HA ASP A 74 28.933 -1.060 12.467 1.00 10.11 H new ATOM 0 HB2 ASP A 74 27.797 1.341 13.567 1.00 20.22 H new ATOM 0 HB3 ASP A 74 27.825 0.136 14.840 1.00 20.22 H new ATOM 1095 N THR A 75 27.533 -3.055 13.075 1.00 2.21 N ATOM 1096 CA THR A 75 26.887 -4.242 13.621 1.00 43.11 C ATOM 1097 C THR A 75 27.624 -4.751 14.854 1.00 52.03 C ATOM 1098 O THR A 75 27.041 -5.424 15.705 1.00 42.55 O ATOM 1099 CB THR A 75 26.814 -5.373 12.578 1.00 63.11 C ATOM 1100 OG1 THR A 75 28.107 -5.965 12.406 1.00 13.12 O ATOM 1101 CG2 THR A 75 26.312 -4.846 11.242 1.00 71.34 C ATOM 0 H THR A 75 28.214 -3.246 12.340 1.00 2.21 H new ATOM 0 HA THR A 75 25.875 -3.950 13.900 1.00 43.11 H new ATOM 0 HB THR A 75 26.114 -6.126 12.940 1.00 63.11 H new ATOM 0 HG1 THR A 75 28.052 -6.684 11.743 1.00 13.12 H new ATOM 0 HG21 THR A 75 26.269 -5.663 10.522 1.00 71.34 H new ATOM 0 HG22 THR A 75 25.316 -4.422 11.369 1.00 71.34 H new ATOM 0 HG23 THR A 75 26.991 -4.075 10.877 1.00 71.34 H new ATOM 1109 N LYS A 76 28.909 -4.426 14.945 1.00 11.51 N ATOM 1110 CA LYS A 76 29.727 -4.848 16.077 1.00 2.32 C ATOM 1111 C LYS A 76 29.057 -4.485 17.398 1.00 63.31 C ATOM 1112 O LYS A 76 29.088 -5.261 18.354 1.00 10.13 O ATOM 1113 CB LYS A 76 31.112 -4.201 16.000 1.00 70.33 C ATOM 1114 CG LYS A 76 31.072 -2.685 15.922 1.00 30.31 C ATOM 1115 CD LYS A 76 31.225 -2.052 17.295 1.00 0.13 C ATOM 1116 CE LYS A 76 32.689 -1.859 17.659 1.00 10.32 C ATOM 1117 NZ LYS A 76 33.272 -0.660 16.996 1.00 64.52 N1+ ATOM 0 H LYS A 76 29.407 -3.872 14.249 1.00 11.51 H new ATOM 0 HA LYS A 76 29.836 -5.932 16.031 1.00 2.32 H new ATOM 0 HB2 LYS A 76 31.691 -4.496 16.875 1.00 70.33 H new ATOM 0 HB3 LYS A 76 31.636 -4.588 15.126 1.00 70.33 H new ATOM 0 HG2 LYS A 76 31.869 -2.332 15.267 1.00 30.31 H new ATOM 0 HG3 LYS A 76 30.129 -2.367 15.477 1.00 30.31 H new ATOM 0 HD2 LYS A 76 30.715 -1.089 17.312 1.00 0.13 H new ATOM 0 HD3 LYS A 76 30.743 -2.681 18.043 1.00 0.13 H new ATOM 0 HE2 LYS A 76 32.784 -1.758 18.740 1.00 10.32 H new ATOM 0 HE3 LYS A 76 33.255 -2.745 17.370 1.00 10.32 H new ATOM 0 HZ1 LYS A 76 34.271 -0.563 17.269 1.00 64.52 H new ATOM 0 HZ2 LYS A 76 33.204 -0.767 15.964 1.00 64.52 H new ATOM 0 HZ3 LYS A 76 32.749 0.189 17.291 1.00 64.52 H new ATOM 1131 N SER A 77 28.452 -3.303 17.444 1.00 12.32 N ATOM 1132 CA SER A 77 27.777 -2.837 18.650 1.00 40.54 C ATOM 1133 C SER A 77 26.320 -3.290 18.666 1.00 72.24 C ATOM 1134 O SER A 77 25.650 -3.230 19.698 1.00 3.31 O ATOM 1135 CB SER A 77 27.850 -1.312 18.743 1.00 24.54 C ATOM 1136 OG SER A 77 28.805 -0.904 19.707 1.00 62.42 O ATOM 0 H SER A 77 28.415 -2.651 16.661 1.00 12.32 H new ATOM 0 HA SER A 77 28.284 -3.271 19.512 1.00 40.54 H new ATOM 0 HB2 SER A 77 28.112 -0.897 17.769 1.00 24.54 H new ATOM 0 HB3 SER A 77 26.870 -0.913 19.006 1.00 24.54 H new ATOM 0 HG SER A 77 28.833 0.075 19.746 1.00 62.42 H new ATOM 1142 N TYR A 78 25.835 -3.742 17.515 1.00 33.14 N ATOM 1143 CA TYR A 78 24.457 -4.203 17.394 1.00 43.04 C ATOM 1144 C TYR A 78 24.303 -5.614 17.953 1.00 22.45 C ATOM 1145 O TYR A 78 23.253 -5.971 18.485 1.00 1.02 O ATOM 1146 CB TYR A 78 24.012 -4.170 15.931 1.00 4.32 C ATOM 1147 CG TYR A 78 22.638 -4.757 15.702 1.00 61.13 C ATOM 1148 CD1 TYR A 78 21.576 -4.436 16.539 1.00 50.52 C ATOM 1149 CD2 TYR A 78 22.402 -5.635 14.651 1.00 52.42 C ATOM 1150 CE1 TYR A 78 20.319 -4.971 16.334 1.00 70.55 C ATOM 1151 CE2 TYR A 78 21.148 -6.173 14.438 1.00 61.52 C ATOM 1152 CZ TYR A 78 20.110 -5.838 15.283 1.00 70.05 C ATOM 1153 OH TYR A 78 18.859 -6.375 15.075 1.00 34.34 O ATOM 0 H TYR A 78 26.376 -3.799 16.652 1.00 33.14 H new ATOM 0 HA TYR A 78 23.824 -3.531 17.974 1.00 43.04 H new ATOM 0 HB2 TYR A 78 24.020 -3.138 15.581 1.00 4.32 H new ATOM 0 HB3 TYR A 78 24.736 -4.717 15.327 1.00 4.32 H new ATOM 0 HD1 TYR A 78 21.736 -3.757 17.363 1.00 50.52 H new ATOM 0 HD2 TYR A 78 23.213 -5.901 13.989 1.00 52.42 H new ATOM 0 HE1 TYR A 78 19.504 -4.711 16.994 1.00 70.55 H new ATOM 0 HE2 TYR A 78 20.981 -6.852 13.615 1.00 61.52 H new ATOM 0 HH TYR A 78 18.882 -6.965 14.293 1.00 34.34 H new ATOM 1163 N TRP A 79 25.359 -6.410 17.827 1.00 42.11 N ATOM 1164 CA TRP A 79 25.343 -7.783 18.319 1.00 34.33 C ATOM 1165 C TRP A 79 25.598 -7.826 19.821 1.00 45.25 C ATOM 1166 O TRP A 79 25.155 -8.744 20.511 1.00 50.44 O ATOM 1167 CB TRP A 79 26.392 -8.621 17.586 1.00 11.24 C ATOM 1168 CG TRP A 79 26.312 -8.502 16.094 1.00 33.12 C ATOM 1169 CD1 TRP A 79 27.345 -8.258 15.236 1.00 13.21 C ATOM 1170 CD2 TRP A 79 25.136 -8.619 15.287 1.00 23.44 C ATOM 1171 NE1 TRP A 79 26.881 -8.217 13.942 1.00 13.32 N ATOM 1172 CE2 TRP A 79 25.530 -8.436 13.947 1.00 40.35 C ATOM 1173 CE3 TRP A 79 23.788 -8.862 15.565 1.00 60.30 C ATOM 1174 CZ2 TRP A 79 24.623 -8.488 12.892 1.00 71.44 C ATOM 1175 CZ3 TRP A 79 22.890 -8.913 14.517 1.00 22.15 C ATOM 1176 CH2 TRP A 79 23.310 -8.727 13.193 1.00 55.42 C ATOM 0 H TRP A 79 26.236 -6.129 17.389 1.00 42.11 H new ATOM 0 HA TRP A 79 24.355 -8.201 18.126 1.00 34.33 H new ATOM 0 HB2 TRP A 79 27.385 -8.315 17.915 1.00 11.24 H new ATOM 0 HB3 TRP A 79 26.271 -9.667 17.867 1.00 11.24 H new ATOM 0 HD1 TRP A 79 28.375 -8.118 15.530 1.00 13.21 H new ATOM 0 HE1 TRP A 79 27.451 -8.050 13.113 1.00 13.32 H new ATOM 0 HE3 TRP A 79 23.454 -9.007 16.582 1.00 60.30 H new ATOM 0 HZ2 TRP A 79 24.945 -8.345 11.871 1.00 71.44 H new ATOM 0 HZ3 TRP A 79 21.846 -9.099 14.721 1.00 22.15 H new ATOM 0 HH2 TRP A 79 22.583 -8.773 12.395 1.00 55.42 H new ATOM 1187 N LYS A 80 26.316 -6.826 20.323 1.00 50.41 N ATOM 1188 CA LYS A 80 26.630 -6.748 21.745 1.00 54.32 C ATOM 1189 C LYS A 80 25.407 -6.316 22.549 1.00 54.00 C ATOM 1190 O LYS A 80 25.356 -6.499 23.764 1.00 50.04 O ATOM 1191 CB LYS A 80 27.781 -5.768 21.981 1.00 61.21 C ATOM 1192 CG LYS A 80 27.344 -4.314 22.019 1.00 73.40 C ATOM 1193 CD LYS A 80 27.333 -3.772 23.438 1.00 71.12 C ATOM 1194 CE LYS A 80 28.736 -3.421 23.912 1.00 24.41 C ATOM 1195 NZ LYS A 80 28.809 -3.310 25.395 1.00 51.34 N1+ ATOM 0 H LYS A 80 26.691 -6.058 19.766 1.00 50.41 H new ATOM 0 HA LYS A 80 26.932 -7.740 22.080 1.00 54.32 H new ATOM 0 HB2 LYS A 80 28.271 -6.016 22.923 1.00 61.21 H new ATOM 0 HB3 LYS A 80 28.523 -5.895 21.193 1.00 61.21 H new ATOM 0 HG2 LYS A 80 28.016 -3.715 21.405 1.00 73.40 H new ATOM 0 HG3 LYS A 80 26.348 -4.221 21.585 1.00 73.40 H new ATOM 0 HD2 LYS A 80 26.700 -2.886 23.485 1.00 71.12 H new ATOM 0 HD3 LYS A 80 26.896 -4.512 24.108 1.00 71.12 H new ATOM 0 HE2 LYS A 80 29.436 -4.183 23.570 1.00 24.41 H new ATOM 0 HE3 LYS A 80 29.046 -2.478 23.462 1.00 24.41 H new ATOM 0 HZ1 LYS A 80 29.781 -3.070 25.678 1.00 51.34 H new ATOM 0 HZ2 LYS A 80 28.160 -2.565 25.720 1.00 51.34 H new ATOM 0 HZ3 LYS A 80 28.538 -4.217 25.825 1.00 51.34 H new ATOM 1209 N ALA A 81 24.425 -5.744 21.861 1.00 25.51 N ATOM 1210 CA ALA A 81 23.202 -5.290 22.511 1.00 23.43 C ATOM 1211 C ALA A 81 22.216 -6.438 22.690 1.00 74.11 C ATOM 1212 O ALA A 81 21.618 -6.598 23.755 1.00 11.21 O ATOM 1213 CB ALA A 81 22.564 -4.165 21.709 1.00 4.11 C ATOM 0 H ALA A 81 24.452 -5.584 20.854 1.00 25.51 H new ATOM 0 HA ALA A 81 23.465 -4.914 23.500 1.00 23.43 H new ATOM 0 HB1 ALA A 81 21.652 -3.836 22.206 1.00 4.11 H new ATOM 0 HB2 ALA A 81 23.260 -3.329 21.637 1.00 4.11 H new ATOM 0 HB3 ALA A 81 22.323 -4.523 20.708 1.00 4.11 H new ATOM 1219 N LEU A 82 22.048 -7.237 21.641 1.00 72.45 N ATOM 1220 CA LEU A 82 21.133 -8.372 21.682 1.00 71.44 C ATOM 1221 C LEU A 82 21.887 -9.671 21.947 1.00 25.04 C ATOM 1222 O LEU A 82 21.312 -10.757 21.894 1.00 54.03 O ATOM 1223 CB LEU A 82 20.359 -8.477 20.366 1.00 34.13 C ATOM 1224 CG LEU A 82 19.516 -7.261 19.985 1.00 12.53 C ATOM 1225 CD1 LEU A 82 18.792 -6.710 21.204 1.00 33.35 C ATOM 1226 CD2 LEU A 82 20.384 -6.186 19.348 1.00 33.50 C ATOM 0 H LEU A 82 22.534 -7.119 20.752 1.00 72.45 H new ATOM 0 HA LEU A 82 20.429 -8.210 22.498 1.00 71.44 H new ATOM 0 HB2 LEU A 82 21.071 -8.666 19.563 1.00 34.13 H new ATOM 0 HB3 LEU A 82 19.703 -9.346 20.422 1.00 34.13 H new ATOM 0 HG LEU A 82 18.770 -7.576 19.255 1.00 12.53 H new ATOM 0 HD11 LEU A 82 18.197 -5.844 20.913 1.00 33.35 H new ATOM 0 HD12 LEU A 82 18.138 -7.478 21.617 1.00 33.35 H new ATOM 0 HD13 LEU A 82 19.522 -6.412 21.957 1.00 33.35 H new ATOM 0 HD21 LEU A 82 19.765 -5.328 19.084 1.00 33.50 H new ATOM 0 HD22 LEU A 82 21.154 -5.874 20.054 1.00 33.50 H new ATOM 0 HD23 LEU A 82 20.855 -6.584 18.449 1.00 33.50 H new ATOM 1238 N GLY A 83 23.180 -9.550 22.234 1.00 74.52 N ATOM 1239 CA GLY A 83 23.992 -10.722 22.504 1.00 61.44 C ATOM 1240 C GLY A 83 23.956 -11.728 21.369 1.00 64.05 C ATOM 1241 O GLY A 83 23.793 -12.926 21.598 1.00 12.21 O ATOM 0 H GLY A 83 23.679 -8.662 22.284 1.00 74.52 H new ATOM 0 HA2 GLY A 83 25.023 -10.413 22.679 1.00 61.44 H new ATOM 0 HA3 GLY A 83 23.642 -11.199 23.419 1.00 61.44 H new ATOM 1245 N ILE A 84 24.109 -11.238 20.143 1.00 55.22 N ATOM 1246 CA ILE A 84 24.093 -12.102 18.970 1.00 13.14 C ATOM 1247 C ILE A 84 25.498 -12.579 18.619 1.00 55.44 C ATOM 1248 O ILE A 84 26.488 -11.947 18.986 1.00 14.52 O ATOM 1249 CB ILE A 84 23.488 -11.383 17.750 1.00 32.24 C ATOM 1250 CG1 ILE A 84 22.201 -10.655 18.146 1.00 51.22 C ATOM 1251 CG2 ILE A 84 23.217 -12.377 16.629 1.00 0.21 C ATOM 1252 CD1 ILE A 84 21.113 -11.579 18.645 1.00 63.44 C ATOM 0 H ILE A 84 24.245 -10.248 19.937 1.00 55.22 H new ATOM 0 HA ILE A 84 23.472 -12.962 19.220 1.00 13.14 H new ATOM 0 HB ILE A 84 24.205 -10.645 17.390 1.00 32.24 H new ATOM 0 HG12 ILE A 84 22.430 -9.925 18.922 1.00 51.22 H new ATOM 0 HG13 ILE A 84 21.828 -10.099 17.286 1.00 51.22 H new ATOM 0 HG21 ILE A 84 22.790 -11.853 15.774 1.00 0.21 H new ATOM 0 HG22 ILE A 84 24.151 -12.854 16.332 1.00 0.21 H new ATOM 0 HG23 ILE A 84 22.516 -13.136 16.977 1.00 0.21 H new ATOM 0 HD11 ILE A 84 20.231 -10.994 18.907 1.00 63.44 H new ATOM 0 HD12 ILE A 84 20.855 -12.293 17.863 1.00 63.44 H new ATOM 0 HD13 ILE A 84 21.467 -12.116 19.525 1.00 63.44 H new ATOM 1264 N SER A 85 25.576 -13.697 17.904 1.00 21.13 N ATOM 1265 CA SER A 85 26.861 -14.260 17.504 1.00 50.52 C ATOM 1266 C SER A 85 27.750 -13.192 16.875 1.00 44.03 C ATOM 1267 O SER A 85 27.282 -12.152 16.414 1.00 31.33 O ATOM 1268 CB SER A 85 26.652 -15.412 16.519 1.00 54.22 C ATOM 1269 OG SER A 85 26.542 -16.651 17.199 1.00 53.22 O ATOM 0 H SER A 85 24.765 -14.231 17.590 1.00 21.13 H new ATOM 0 HA SER A 85 27.357 -14.640 18.397 1.00 50.52 H new ATOM 0 HB2 SER A 85 25.751 -15.234 15.933 1.00 54.22 H new ATOM 0 HB3 SER A 85 27.486 -15.451 15.818 1.00 54.22 H new ATOM 0 HG SER A 85 26.407 -17.371 16.548 1.00 53.22 H new ATOM 1275 N PRO A 86 29.065 -13.456 16.854 1.00 0.11 N ATOM 1276 CA PRO A 86 30.049 -12.531 16.284 1.00 54.45 C ATOM 1277 C PRO A 86 29.945 -12.437 14.766 1.00 45.13 C ATOM 1278 O PRO A 86 29.233 -13.217 14.134 1.00 52.05 O ATOM 1279 CB PRO A 86 31.391 -13.145 16.691 1.00 32.51 C ATOM 1280 CG PRO A 86 31.104 -14.595 16.873 1.00 54.43 C ATOM 1281 CD PRO A 86 29.693 -14.677 17.386 1.00 54.42 C ATOM 0 HA PRO A 86 29.905 -11.512 16.642 1.00 54.45 H new ATOM 0 HB2 PRO A 86 32.149 -12.985 15.924 1.00 32.51 H new ATOM 0 HB3 PRO A 86 31.769 -12.698 17.610 1.00 32.51 H new ATOM 0 HG2 PRO A 86 31.209 -15.135 15.932 1.00 54.43 H new ATOM 0 HG3 PRO A 86 31.802 -15.045 17.578 1.00 54.43 H new ATOM 0 HD2 PRO A 86 29.188 -15.576 17.032 1.00 54.42 H new ATOM 0 HD3 PRO A 86 29.662 -14.703 18.475 1.00 54.42 H new ATOM 1289 N MET A 87 30.659 -11.479 14.186 1.00 52.20 N ATOM 1290 CA MET A 87 30.648 -11.285 12.741 1.00 11.03 C ATOM 1291 C MET A 87 32.057 -11.030 12.216 1.00 60.21 C ATOM 1292 O MET A 87 32.919 -10.528 12.938 1.00 33.13 O ATOM 1293 CB MET A 87 29.732 -10.117 12.369 1.00 52.31 C ATOM 1294 CG MET A 87 29.052 -10.284 11.019 1.00 30.23 C ATOM 1295 SD MET A 87 27.363 -10.901 11.165 1.00 71.42 S ATOM 1296 CE MET A 87 27.657 -12.660 11.323 1.00 23.32 C ATOM 0 H MET A 87 31.253 -10.824 14.695 1.00 52.20 H new ATOM 0 HA MET A 87 30.268 -12.196 12.280 1.00 11.03 H new ATOM 0 HB2 MET A 87 28.969 -10.004 13.139 1.00 52.31 H new ATOM 0 HB3 MET A 87 30.316 -9.196 12.361 1.00 52.31 H new ATOM 0 HG2 MET A 87 29.041 -9.325 10.501 1.00 30.23 H new ATOM 0 HG3 MET A 87 29.634 -10.971 10.405 1.00 30.23 H new ATOM 0 HE1 MET A 87 26.831 -13.209 10.871 1.00 23.32 H new ATOM 0 HE2 MET A 87 28.586 -12.921 10.816 1.00 23.32 H new ATOM 0 HE3 MET A 87 27.733 -12.923 12.378 1.00 23.32 H new ATOM 1306 N HIS A 88 32.285 -11.377 10.953 1.00 53.41 N ATOM 1307 CA HIS A 88 33.590 -11.184 10.331 1.00 33.42 C ATOM 1308 C HIS A 88 33.773 -9.735 9.890 1.00 73.05 C ATOM 1309 O HIS A 88 34.890 -9.219 9.874 1.00 73.13 O ATOM 1310 CB HIS A 88 33.749 -12.118 9.130 1.00 42.20 C ATOM 1311 CG HIS A 88 32.954 -11.696 7.933 1.00 1.22 C ATOM 1312 ND1 HIS A 88 33.503 -11.557 6.676 1.00 11.32 N ATOM 1313 CD2 HIS A 88 31.643 -11.382 7.807 1.00 14.24 C ATOM 1314 CE1 HIS A 88 32.565 -11.175 5.828 1.00 62.14 C ATOM 1315 NE2 HIS A 88 31.427 -11.062 6.488 1.00 62.24 N ATOM 0 H HIS A 88 31.583 -11.793 10.341 1.00 53.41 H new ATOM 0 HA HIS A 88 34.356 -11.420 11.070 1.00 33.42 H new ATOM 0 HB2 HIS A 88 34.803 -12.168 8.856 1.00 42.20 H new ATOM 0 HB3 HIS A 88 33.447 -13.124 9.420 1.00 42.20 H new ATOM 0 HD2 HIS A 88 30.905 -11.383 8.596 1.00 14.24 H new ATOM 0 HE1 HIS A 88 32.705 -10.987 4.774 1.00 62.14 H new ATOM 0 HE2 HIS A 88 30.533 -10.783 6.084 1.00 62.24 H new ATOM 1323 N GLU A 89 32.670 -9.085 9.534 1.00 70.23 N ATOM 1324 CA GLU A 89 32.711 -7.697 9.092 1.00 14.34 C ATOM 1325 C GLU A 89 31.302 -7.151 8.883 1.00 75.32 C ATOM 1326 O GLU A 89 30.366 -7.903 8.611 1.00 72.42 O ATOM 1327 CB GLU A 89 33.516 -7.574 7.796 1.00 53.11 C ATOM 1328 CG GLU A 89 33.820 -6.138 7.402 1.00 61.24 C ATOM 1329 CD GLU A 89 34.830 -6.045 6.274 1.00 1.31 C ATOM 1330 OE1 GLU A 89 35.634 -6.987 6.120 1.00 4.11 O ATOM 1331 OE2 GLU A 89 34.816 -5.030 5.548 1.00 3.31 O1- ATOM 0 H GLU A 89 31.737 -9.498 9.543 1.00 70.23 H new ATOM 0 HA GLU A 89 33.198 -7.109 9.870 1.00 14.34 H new ATOM 0 HB2 GLU A 89 34.454 -8.117 7.908 1.00 53.11 H new ATOM 0 HB3 GLU A 89 32.964 -8.054 6.988 1.00 53.11 H new ATOM 0 HG2 GLU A 89 32.896 -5.645 7.100 1.00 61.24 H new ATOM 0 HG3 GLU A 89 34.200 -5.599 8.270 1.00 61.24 H new ATOM 1338 N HIS A 90 31.158 -5.835 9.012 1.00 74.52 N ATOM 1339 CA HIS A 90 29.863 -5.187 8.837 1.00 55.24 C ATOM 1340 C HIS A 90 29.576 -4.939 7.359 1.00 4.33 C ATOM 1341 O HIS A 90 30.450 -5.108 6.510 1.00 31.43 O ATOM 1342 CB HIS A 90 29.823 -3.866 9.605 1.00 13.21 C ATOM 1343 CG HIS A 90 30.683 -2.797 9.005 1.00 63.34 C ATOM 1344 ND1 HIS A 90 32.039 -2.703 9.238 1.00 35.31 N ATOM 1345 CD2 HIS A 90 30.375 -1.773 8.176 1.00 64.40 C ATOM 1346 CE1 HIS A 90 32.527 -1.667 8.579 1.00 72.11 C ATOM 1347 NE2 HIS A 90 31.537 -1.086 7.927 1.00 23.52 N ATOM 0 H HIS A 90 31.922 -5.197 9.237 1.00 74.52 H new ATOM 0 HA HIS A 90 29.095 -5.852 9.232 1.00 55.24 H new ATOM 0 HB2 HIS A 90 28.793 -3.511 9.647 1.00 13.21 H new ATOM 0 HB3 HIS A 90 30.142 -4.043 10.632 1.00 13.21 H new ATOM 0 HD2 HIS A 90 29.396 -1.539 7.783 1.00 64.40 H new ATOM 0 HE1 HIS A 90 33.559 -1.350 8.574 1.00 72.11 H new ATOM 0 HE2 HIS A 90 31.622 -0.260 7.334 1.00 23.52 H new ATOM 1355 N ALA A 91 28.344 -4.537 7.061 1.00 73.52 N ATOM 1356 CA ALA A 91 27.942 -4.264 5.686 1.00 22.23 C ATOM 1357 C ALA A 91 27.940 -2.766 5.402 1.00 61.21 C ATOM 1358 O ALA A 91 27.649 -1.958 6.285 1.00 23.03 O ATOM 1359 CB ALA A 91 26.569 -4.858 5.411 1.00 3.52 C ATOM 0 H ALA A 91 27.608 -4.393 7.752 1.00 73.52 H new ATOM 0 HA ALA A 91 28.668 -4.732 5.021 1.00 22.23 H new ATOM 0 HB1 ALA A 91 26.281 -4.647 4.381 1.00 3.52 H new ATOM 0 HB2 ALA A 91 26.602 -5.937 5.565 1.00 3.52 H new ATOM 0 HB3 ALA A 91 25.839 -4.417 6.090 1.00 3.52 H new ATOM 1365 N GLU A 92 28.265 -2.402 4.166 1.00 73.32 N ATOM 1366 CA GLU A 92 28.302 -1.000 3.767 1.00 2.25 C ATOM 1367 C GLU A 92 27.763 -0.823 2.351 1.00 25.30 C ATOM 1368 O GLU A 92 27.534 -1.798 1.635 1.00 13.50 O ATOM 1369 CB GLU A 92 29.731 -0.460 3.852 1.00 43.31 C ATOM 1370 CG GLU A 92 30.730 -1.248 3.022 1.00 22.11 C ATOM 1371 CD GLU A 92 32.030 -0.498 2.805 1.00 21.31 C ATOM 1372 OE1 GLU A 92 32.872 -0.493 3.726 1.00 61.05 O ATOM 1373 OE2 GLU A 92 32.204 0.084 1.714 1.00 32.20 O1- ATOM 0 H GLU A 92 28.506 -3.058 3.424 1.00 73.32 H new ATOM 0 HA GLU A 92 27.667 -0.437 4.452 1.00 2.25 H new ATOM 0 HB2 GLU A 92 29.738 0.579 3.523 1.00 43.31 H new ATOM 0 HB3 GLU A 92 30.052 -0.467 4.894 1.00 43.31 H new ATOM 0 HG2 GLU A 92 30.940 -2.196 3.517 1.00 22.11 H new ATOM 0 HG3 GLU A 92 30.286 -1.485 2.055 1.00 22.11 H new ATOM 1380 N VAL A 93 27.560 0.430 1.953 1.00 70.21 N ATOM 1381 CA VAL A 93 27.048 0.736 0.623 1.00 61.32 C ATOM 1382 C VAL A 93 27.740 1.962 0.037 1.00 43.24 C ATOM 1383 O VAL A 93 27.623 3.067 0.567 1.00 3.54 O ATOM 1384 CB VAL A 93 25.528 0.982 0.649 1.00 40.32 C ATOM 1385 CG1 VAL A 93 25.018 1.326 -0.741 1.00 24.13 C ATOM 1386 CG2 VAL A 93 24.802 -0.234 1.206 1.00 41.15 C ATOM 0 H VAL A 93 27.743 1.249 2.533 1.00 70.21 H new ATOM 0 HA VAL A 93 27.257 -0.131 -0.004 1.00 61.32 H new ATOM 0 HB VAL A 93 25.326 1.830 1.303 1.00 40.32 H new ATOM 0 HG11 VAL A 93 23.942 1.496 -0.702 1.00 24.13 H new ATOM 0 HG12 VAL A 93 25.515 2.228 -1.098 1.00 24.13 H new ATOM 0 HG13 VAL A 93 25.230 0.501 -1.421 1.00 24.13 H new ATOM 0 HG21 VAL A 93 23.729 -0.043 1.217 1.00 41.15 H new ATOM 0 HG22 VAL A 93 25.010 -1.101 0.579 1.00 41.15 H new ATOM 0 HG23 VAL A 93 25.147 -0.430 2.221 1.00 41.15 H new ATOM 1396 N VAL A 94 28.460 1.760 -1.062 1.00 55.22 N ATOM 1397 CA VAL A 94 29.170 2.849 -1.722 1.00 54.44 C ATOM 1398 C VAL A 94 28.773 2.953 -3.190 1.00 72.33 C ATOM 1399 O VAL A 94 29.116 2.092 -4.000 1.00 31.22 O ATOM 1400 CB VAL A 94 30.696 2.664 -1.625 1.00 12.35 C ATOM 1401 CG1 VAL A 94 31.417 3.780 -2.367 1.00 44.32 C ATOM 1402 CG2 VAL A 94 31.134 2.611 -0.169 1.00 32.44 C ATOM 0 H VAL A 94 28.567 0.852 -1.514 1.00 55.22 H new ATOM 0 HA VAL A 94 28.890 3.768 -1.207 1.00 54.44 H new ATOM 0 HB VAL A 94 30.961 1.717 -2.095 1.00 12.35 H new ATOM 0 HG11 VAL A 94 32.494 3.633 -2.288 1.00 44.32 H new ATOM 0 HG12 VAL A 94 31.125 3.766 -3.417 1.00 44.32 H new ATOM 0 HG13 VAL A 94 31.149 4.741 -1.928 1.00 44.32 H new ATOM 0 HG21 VAL A 94 32.215 2.480 -0.119 1.00 32.44 H new ATOM 0 HG22 VAL A 94 30.858 3.541 0.328 1.00 32.44 H new ATOM 0 HG23 VAL A 94 30.644 1.774 0.328 1.00 32.44 H new ATOM 1412 N PHE A 95 28.048 4.015 -3.527 1.00 74.21 N ATOM 1413 CA PHE A 95 27.604 4.232 -4.899 1.00 3.42 C ATOM 1414 C PHE A 95 28.178 5.531 -5.458 1.00 14.12 C ATOM 1415 O PHE A 95 28.414 6.488 -4.719 1.00 41.52 O ATOM 1416 CB PHE A 95 26.075 4.269 -4.963 1.00 1.11 C ATOM 1417 CG PHE A 95 25.444 2.907 -5.012 1.00 21.10 C ATOM 1418 CD1 PHE A 95 25.560 2.116 -6.144 1.00 70.40 C ATOM 1419 CD2 PHE A 95 24.737 2.417 -3.928 1.00 44.02 C ATOM 1420 CE1 PHE A 95 24.980 0.864 -6.194 1.00 25.12 C ATOM 1421 CE2 PHE A 95 24.154 1.163 -3.970 1.00 24.42 C ATOM 1422 CZ PHE A 95 24.277 0.385 -5.104 1.00 43.33 C ATOM 0 H PHE A 95 27.756 4.738 -2.869 1.00 74.21 H new ATOM 0 HA PHE A 95 27.967 3.403 -5.507 1.00 3.42 H new ATOM 0 HB2 PHE A 95 25.696 4.805 -4.093 1.00 1.11 H new ATOM 0 HB3 PHE A 95 25.770 4.834 -5.844 1.00 1.11 H new ATOM 0 HD1 PHE A 95 26.111 2.483 -6.997 1.00 70.40 H new ATOM 0 HD2 PHE A 95 24.639 3.021 -3.038 1.00 44.02 H new ATOM 0 HE1 PHE A 95 25.075 0.259 -7.084 1.00 25.12 H new ATOM 0 HE2 PHE A 95 23.604 0.793 -3.117 1.00 24.42 H new ATOM 0 HZ PHE A 95 23.825 -0.595 -5.140 1.00 43.33 H new ATOM 1432 N THR A 96 28.403 5.556 -6.768 1.00 44.40 N ATOM 1433 CA THR A 96 28.952 6.734 -7.426 1.00 34.31 C ATOM 1434 C THR A 96 28.009 7.249 -8.508 1.00 25.23 C ATOM 1435 O THR A 96 27.328 6.470 -9.173 1.00 11.30 O ATOM 1436 CB THR A 96 30.325 6.436 -8.059 1.00 71.34 C ATOM 1437 OG1 THR A 96 30.798 7.587 -8.767 1.00 53.43 O ATOM 1438 CG2 THR A 96 30.239 5.250 -9.007 1.00 41.12 C ATOM 0 H THR A 96 28.213 4.773 -7.394 1.00 44.40 H new ATOM 0 HA THR A 96 29.072 7.498 -6.657 1.00 34.31 H new ATOM 0 HB THR A 96 31.023 6.190 -7.259 1.00 71.34 H new ATOM 0 HG1 THR A 96 31.672 7.390 -9.165 1.00 53.43 H new ATOM 0 HG21 THR A 96 31.220 5.059 -9.441 1.00 41.12 H new ATOM 0 HG22 THR A 96 29.908 4.369 -8.458 1.00 41.12 H new ATOM 0 HG23 THR A 96 29.527 5.471 -9.802 1.00 41.12 H new ATOM 1446 N ALA A 97 27.973 8.567 -8.677 1.00 2.00 N ATOM 1447 CA ALA A 97 27.115 9.186 -9.680 1.00 54.14 C ATOM 1448 C ALA A 97 27.745 9.105 -11.067 1.00 75.12 C ATOM 1449 O ALA A 97 28.956 8.938 -11.200 1.00 3.52 O ATOM 1450 CB ALA A 97 26.831 10.634 -9.311 1.00 3.33 C ATOM 0 H ALA A 97 28.528 9.227 -8.132 1.00 2.00 H new ATOM 0 HA ALA A 97 26.173 8.638 -9.705 1.00 54.14 H new ATOM 0 HB1 ALA A 97 26.189 11.083 -10.069 1.00 3.33 H new ATOM 0 HB2 ALA A 97 26.331 10.671 -8.343 1.00 3.33 H new ATOM 0 HB3 ALA A 97 27.769 11.186 -9.256 1.00 3.33 H new ATOM 1456 N ASN A 98 26.913 9.224 -12.096 1.00 61.44 N ATOM 1457 CA ASN A 98 27.389 9.162 -13.474 1.00 5.53 C ATOM 1458 C ASN A 98 27.986 7.793 -13.783 1.00 5.21 C ATOM 1459 O ASN A 98 29.015 7.688 -14.450 1.00 32.32 O ATOM 1460 CB ASN A 98 28.432 10.253 -13.724 1.00 33.23 C ATOM 1461 CG ASN A 98 28.103 11.545 -13.001 1.00 11.24 C ATOM 1462 OD1 ASN A 98 28.845 11.985 -12.122 1.00 54.42 O ATOM 1463 ND2 ASN A 98 26.983 12.159 -13.366 1.00 42.15 N ATOM 0 H ASN A 98 25.907 9.364 -12.003 1.00 61.44 H new ATOM 0 HA ASN A 98 26.537 9.324 -14.134 1.00 5.53 H new ATOM 0 HB2 ASN A 98 29.410 9.898 -13.400 1.00 33.23 H new ATOM 0 HB3 ASN A 98 28.502 10.447 -14.794 1.00 33.23 H new ATOM 0 HD21 ASN A 98 26.708 13.031 -12.913 1.00 42.15 H new ATOM 0 HD22 ASN A 98 26.398 11.759 -14.099 1.00 42.15 H new ATOM 1470 N ASP A 99 27.332 6.745 -13.294 1.00 51.43 N ATOM 1471 CA ASP A 99 27.796 5.380 -13.519 1.00 34.13 C ATOM 1472 C ASP A 99 26.618 4.420 -13.643 1.00 63.24 C ATOM 1473 O ASP A 99 26.037 4.001 -12.642 1.00 54.14 O ATOM 1474 CB ASP A 99 28.714 4.937 -12.379 1.00 61.02 C ATOM 1475 CG ASP A 99 29.101 3.475 -12.482 1.00 31.11 C ATOM 1476 OD1 ASP A 99 29.801 3.113 -13.451 1.00 64.44 O ATOM 1477 OD2 ASP A 99 28.702 2.691 -11.596 1.00 41.04 O1- ATOM 0 H ASP A 99 26.479 6.814 -12.739 1.00 51.43 H new ATOM 0 HA ASP A 99 28.356 5.362 -14.454 1.00 34.13 H new ATOM 0 HB2 ASP A 99 29.616 5.550 -12.383 1.00 61.02 H new ATOM 0 HB3 ASP A 99 28.215 5.111 -11.426 1.00 61.02 H new ATOM 1482 N SER A 100 26.271 4.073 -14.878 1.00 31.43 N ATOM 1483 CA SER A 100 25.159 3.165 -15.134 1.00 54.41 C ATOM 1484 C SER A 100 23.843 3.769 -14.652 1.00 0.22 C ATOM 1485 O SER A 100 22.898 3.049 -14.333 1.00 0.22 O ATOM 1486 CB SER A 100 25.402 1.821 -14.444 1.00 62.41 C ATOM 1487 OG SER A 100 26.767 1.452 -14.514 1.00 71.24 O ATOM 0 H SER A 100 26.744 4.407 -15.718 1.00 31.43 H new ATOM 0 HA SER A 100 25.092 3.005 -16.210 1.00 54.41 H new ATOM 0 HB2 SER A 100 25.092 1.883 -13.401 1.00 62.41 H new ATOM 0 HB3 SER A 100 24.789 1.051 -14.914 1.00 62.41 H new ATOM 0 HG SER A 100 26.897 0.591 -14.065 1.00 71.24 H new ATOM 1493 N GLY A 101 23.791 5.096 -14.600 1.00 34.22 N ATOM 1494 CA GLY A 101 22.587 5.774 -14.155 1.00 51.22 C ATOM 1495 C GLY A 101 22.269 5.495 -12.700 1.00 34.21 C ATOM 1496 O GLY A 101 22.814 4.576 -12.088 1.00 62.14 O ATOM 0 H GLY A 101 24.561 5.714 -14.858 1.00 34.22 H new ATOM 0 HA2 GLY A 101 22.704 6.848 -14.299 1.00 51.22 H new ATOM 0 HA3 GLY A 101 21.747 5.460 -14.774 1.00 51.22 H new ATOM 1500 N PRO A 102 21.367 6.302 -12.122 1.00 21.34 N ATOM 1501 CA PRO A 102 20.957 6.157 -10.722 1.00 0.44 C ATOM 1502 C PRO A 102 20.127 4.900 -10.488 1.00 41.02 C ATOM 1503 O PRO A 102 19.220 4.591 -11.261 1.00 2.14 O ATOM 1504 CB PRO A 102 20.114 7.410 -10.468 1.00 64.03 C ATOM 1505 CG PRO A 102 19.603 7.801 -11.811 1.00 43.03 C ATOM 1506 CD PRO A 102 20.677 7.418 -12.791 1.00 62.14 C ATOM 0 HA PRO A 102 21.813 6.060 -10.054 1.00 0.44 H new ATOM 0 HB2 PRO A 102 19.296 7.204 -9.778 1.00 64.03 H new ATOM 0 HB3 PRO A 102 20.712 8.206 -10.025 1.00 64.03 H new ATOM 0 HG2 PRO A 102 18.668 7.289 -12.037 1.00 43.03 H new ATOM 0 HG3 PRO A 102 19.399 8.871 -11.854 1.00 43.03 H new ATOM 0 HD2 PRO A 102 20.256 7.114 -13.749 1.00 62.14 H new ATOM 0 HD3 PRO A 102 21.355 8.248 -12.989 1.00 62.14 H new ATOM 1514 N ARG A 103 20.443 4.178 -9.418 1.00 23.34 N ATOM 1515 CA ARG A 103 19.727 2.953 -9.083 1.00 62.04 C ATOM 1516 C ARG A 103 19.996 2.544 -7.638 1.00 14.33 C ATOM 1517 O ARG A 103 21.064 2.822 -7.092 1.00 52.44 O ATOM 1518 CB ARG A 103 20.135 1.824 -10.029 1.00 30.24 C ATOM 1519 CG ARG A 103 19.232 1.690 -11.245 1.00 22.53 C ATOM 1520 CD ARG A 103 19.207 0.263 -11.767 1.00 52.13 C ATOM 1521 NE ARG A 103 18.773 0.196 -13.160 1.00 1.11 N ATOM 1522 CZ ARG A 103 18.978 -0.856 -13.944 1.00 54.03 C ATOM 1523 NH1 ARG A 103 19.606 -1.924 -13.475 1.00 3.14 N1+ ATOM 1524 NH2 ARG A 103 18.552 -0.840 -15.201 1.00 64.44 N ATOM 0 H ARG A 103 21.191 4.420 -8.768 1.00 23.34 H new ATOM 0 HA ARG A 103 18.660 3.143 -9.195 1.00 62.04 H new ATOM 0 HB2 ARG A 103 21.158 1.994 -10.364 1.00 30.24 H new ATOM 0 HB3 ARG A 103 20.132 0.883 -9.480 1.00 30.24 H new ATOM 0 HG2 ARG A 103 18.220 2.001 -10.984 1.00 22.53 H new ATOM 0 HG3 ARG A 103 19.578 2.360 -12.032 1.00 22.53 H new ATOM 0 HD2 ARG A 103 20.202 -0.173 -11.676 1.00 52.13 H new ATOM 0 HD3 ARG A 103 18.538 -0.337 -11.150 1.00 52.13 H new ATOM 0 HE ARG A 103 18.286 1.002 -13.552 1.00 1.11 H new ATOM 0 HH11 ARG A 103 19.934 -1.940 -12.509 1.00 3.14 H new ATOM 0 HH12 ARG A 103 19.762 -2.730 -14.080 1.00 3.14 H new ATOM 0 HH21 ARG A 103 18.067 -0.020 -15.565 1.00 64.44 H new ATOM 0 HH22 ARG A 103 18.709 -1.648 -15.803 1.00 64.44 H new ATOM 1538 N ARG A 104 19.020 1.882 -7.024 1.00 24.02 N ATOM 1539 CA ARG A 104 19.152 1.436 -5.642 1.00 24.20 C ATOM 1540 C ARG A 104 19.296 2.626 -4.699 1.00 1.51 C ATOM 1541 O ARG A 104 20.256 2.708 -3.931 1.00 72.24 O ATOM 1542 CB ARG A 104 20.357 0.505 -5.497 1.00 25.22 C ATOM 1543 CG ARG A 104 20.237 -0.472 -4.338 1.00 31.23 C ATOM 1544 CD ARG A 104 19.382 -1.673 -4.709 1.00 34.05 C ATOM 1545 NE ARG A 104 20.154 -2.704 -5.396 1.00 31.23 N ATOM 1546 CZ ARG A 104 19.605 -3.713 -6.063 1.00 4.22 C ATOM 1547 NH1 ARG A 104 18.285 -3.825 -6.132 1.00 33.51 N1+ ATOM 1548 NH2 ARG A 104 20.375 -4.611 -6.664 1.00 33.42 N ATOM 0 H ARG A 104 18.130 1.643 -7.462 1.00 24.02 H new ATOM 0 HA ARG A 104 18.247 0.890 -5.374 1.00 24.20 H new ATOM 0 HB2 ARG A 104 20.485 -0.056 -6.422 1.00 25.22 H new ATOM 0 HB3 ARG A 104 21.256 1.107 -5.362 1.00 25.22 H new ATOM 0 HG2 ARG A 104 21.230 -0.809 -4.040 1.00 31.23 H new ATOM 0 HG3 ARG A 104 19.801 0.035 -3.477 1.00 31.23 H new ATOM 0 HD2 ARG A 104 18.938 -2.094 -3.807 1.00 34.05 H new ATOM 0 HD3 ARG A 104 18.560 -1.349 -5.348 1.00 34.05 H new ATOM 0 HE ARG A 104 21.172 -2.646 -5.362 1.00 31.23 H new ATOM 0 HH11 ARG A 104 17.690 -3.136 -5.672 1.00 33.51 H new ATOM 0 HH12 ARG A 104 17.865 -4.600 -6.645 1.00 33.51 H new ATOM 0 HH21 ARG A 104 21.390 -4.527 -6.614 1.00 33.42 H new ATOM 0 HH22 ARG A 104 19.952 -5.385 -7.176 1.00 33.42 H new ATOM 1562 N TYR A 105 18.339 3.544 -4.762 1.00 3.31 N ATOM 1563 CA TYR A 105 18.362 4.731 -3.914 1.00 51.11 C ATOM 1564 C TYR A 105 18.369 4.346 -2.438 1.00 4.42 C ATOM 1565 O TYR A 105 18.930 5.054 -1.601 1.00 2.22 O ATOM 1566 CB TYR A 105 17.155 5.621 -4.216 1.00 3.13 C ATOM 1567 CG TYR A 105 15.848 5.065 -3.699 1.00 74.50 C ATOM 1568 CD1 TYR A 105 15.206 4.024 -4.357 1.00 22.34 C ATOM 1569 CD2 TYR A 105 15.256 5.580 -2.552 1.00 12.00 C ATOM 1570 CE1 TYR A 105 14.011 3.512 -3.888 1.00 51.10 C ATOM 1571 CE2 TYR A 105 14.062 5.074 -2.077 1.00 50.15 C ATOM 1572 CZ TYR A 105 13.443 4.041 -2.748 1.00 33.34 C ATOM 1573 OH TYR A 105 12.254 3.534 -2.278 1.00 22.10 O ATOM 0 H TYR A 105 17.538 3.490 -5.391 1.00 3.31 H new ATOM 0 HA TYR A 105 19.276 5.284 -4.130 1.00 51.11 H new ATOM 0 HB2 TYR A 105 17.321 6.605 -3.777 1.00 3.13 H new ATOM 0 HB3 TYR A 105 17.079 5.762 -5.294 1.00 3.13 H new ATOM 0 HD1 TYR A 105 15.648 3.608 -5.250 1.00 22.34 H new ATOM 0 HD2 TYR A 105 15.738 6.389 -2.023 1.00 12.00 H new ATOM 0 HE1 TYR A 105 13.525 2.702 -4.411 1.00 51.10 H new ATOM 0 HE2 TYR A 105 13.615 5.486 -1.184 1.00 50.15 H new ATOM 0 HH TYR A 105 12.339 3.332 -1.323 1.00 22.10 H new ATOM 1583 N THR A 106 17.741 3.217 -2.124 1.00 40.24 N ATOM 1584 CA THR A 106 17.673 2.737 -0.750 1.00 32.41 C ATOM 1585 C THR A 106 18.883 1.876 -0.408 1.00 71.02 C ATOM 1586 O THR A 106 19.374 1.117 -1.245 1.00 75.23 O ATOM 1587 CB THR A 106 16.390 1.920 -0.504 1.00 75.32 C ATOM 1588 OG1 THR A 106 15.237 2.739 -0.729 1.00 50.12 O ATOM 1589 CG2 THR A 106 16.361 1.373 0.916 1.00 12.31 C ATOM 0 H THR A 106 17.272 2.618 -2.804 1.00 40.24 H new ATOM 0 HA THR A 106 17.664 3.617 -0.107 1.00 32.41 H new ATOM 0 HB THR A 106 16.380 1.081 -1.200 1.00 75.32 H new ATOM 0 HG1 THR A 106 15.327 3.202 -1.588 1.00 50.12 H new ATOM 0 HG21 THR A 106 15.446 0.800 1.066 1.00 12.31 H new ATOM 0 HG22 THR A 106 17.224 0.727 1.075 1.00 12.31 H new ATOM 0 HG23 THR A 106 16.392 2.200 1.625 1.00 12.31 H new ATOM 1597 N ILE A 107 19.359 1.997 0.827 1.00 54.05 N ATOM 1598 CA ILE A 107 20.512 1.228 1.280 1.00 74.20 C ATOM 1599 C ILE A 107 20.088 -0.137 1.810 1.00 63.32 C ATOM 1600 O ILE A 107 19.543 -0.246 2.907 1.00 31.52 O ATOM 1601 CB ILE A 107 21.290 1.975 2.379 1.00 44.44 C ATOM 1602 CG1 ILE A 107 21.806 3.314 1.850 1.00 42.14 C ATOM 1603 CG2 ILE A 107 22.441 1.120 2.886 1.00 44.24 C ATOM 1604 CD1 ILE A 107 20.898 4.480 2.172 1.00 32.11 C ATOM 0 H ILE A 107 18.964 2.620 1.532 1.00 54.05 H new ATOM 0 HA ILE A 107 21.161 1.093 0.415 1.00 74.20 H new ATOM 0 HB ILE A 107 20.615 2.172 3.212 1.00 44.44 H new ATOM 0 HG12 ILE A 107 22.793 3.506 2.270 1.00 42.14 H new ATOM 0 HG13 ILE A 107 21.928 3.246 0.769 1.00 42.14 H new ATOM 0 HG21 ILE A 107 22.982 1.661 3.662 1.00 44.24 H new ATOM 0 HG22 ILE A 107 22.049 0.190 3.298 1.00 44.24 H new ATOM 0 HG23 ILE A 107 23.118 0.895 2.062 1.00 44.24 H new ATOM 0 HD11 ILE A 107 21.326 5.397 1.767 1.00 32.11 H new ATOM 0 HD12 ILE A 107 19.917 4.310 1.728 1.00 32.11 H new ATOM 0 HD13 ILE A 107 20.796 4.574 3.253 1.00 32.11 H new ATOM 1616 N ALA A 108 20.343 -1.177 1.022 1.00 21.23 N ATOM 1617 CA ALA A 108 19.991 -2.537 1.413 1.00 2.35 C ATOM 1618 C ALA A 108 21.151 -3.218 2.133 1.00 63.45 C ATOM 1619 O ALA A 108 22.183 -3.508 1.530 1.00 51.45 O ATOM 1620 CB ALA A 108 19.576 -3.346 0.193 1.00 32.14 C ATOM 0 H ALA A 108 20.792 -1.104 0.109 1.00 21.23 H new ATOM 0 HA ALA A 108 19.149 -2.485 2.104 1.00 2.35 H new ATOM 0 HB1 ALA A 108 19.316 -4.359 0.500 1.00 32.14 H new ATOM 0 HB2 ALA A 108 18.713 -2.877 -0.278 1.00 32.14 H new ATOM 0 HB3 ALA A 108 20.402 -3.383 -0.517 1.00 32.14 H new ATOM 1626 N ALA A 109 20.973 -3.469 3.425 1.00 63.22 N ATOM 1627 CA ALA A 109 22.004 -4.118 4.227 1.00 54.44 C ATOM 1628 C ALA A 109 21.446 -5.331 4.962 1.00 42.04 C ATOM 1629 O ALA A 109 20.585 -5.199 5.831 1.00 35.23 O ATOM 1630 CB ALA A 109 22.604 -3.129 5.216 1.00 2.42 C ATOM 0 H ALA A 109 20.125 -3.233 3.940 1.00 63.22 H new ATOM 0 HA ALA A 109 22.789 -4.464 3.554 1.00 54.44 H new ATOM 0 HB1 ALA A 109 23.372 -3.627 5.808 1.00 2.42 H new ATOM 0 HB2 ALA A 109 23.048 -2.295 4.672 1.00 2.42 H new ATOM 0 HB3 ALA A 109 21.822 -2.756 5.877 1.00 2.42 H new ATOM 1636 N MET A 110 21.941 -6.511 4.606 1.00 0.21 N ATOM 1637 CA MET A 110 21.491 -7.749 5.233 1.00 34.20 C ATOM 1638 C MET A 110 22.566 -8.312 6.157 1.00 44.24 C ATOM 1639 O MET A 110 23.704 -8.532 5.741 1.00 31.10 O ATOM 1640 CB MET A 110 21.125 -8.783 4.166 1.00 34.11 C ATOM 1641 CG MET A 110 19.800 -8.503 3.477 1.00 44.03 C ATOM 1642 SD MET A 110 19.180 -9.925 2.558 1.00 11.42 S ATOM 1643 CE MET A 110 18.314 -10.813 3.851 1.00 12.22 C ATOM 0 H MET A 110 22.654 -6.637 3.887 1.00 0.21 H new ATOM 0 HA MET A 110 20.606 -7.525 5.829 1.00 34.20 H new ATOM 0 HB2 MET A 110 21.915 -8.814 3.416 1.00 34.11 H new ATOM 0 HB3 MET A 110 21.084 -9.770 4.627 1.00 34.11 H new ATOM 0 HG2 MET A 110 19.062 -8.208 4.223 1.00 44.03 H new ATOM 0 HG3 MET A 110 19.920 -7.660 2.797 1.00 44.03 H new ATOM 0 HE1 MET A 110 18.627 -11.857 3.848 1.00 12.22 H new ATOM 0 HE2 MET A 110 18.547 -10.367 4.818 1.00 12.22 H new ATOM 0 HE3 MET A 110 17.240 -10.756 3.675 1.00 12.22 H new ATOM 1653 N LEU A 111 22.198 -8.544 7.412 1.00 51.13 N ATOM 1654 CA LEU A 111 23.132 -9.082 8.396 1.00 21.14 C ATOM 1655 C LEU A 111 23.213 -10.601 8.296 1.00 54.03 C ATOM 1656 O LEU A 111 22.858 -11.315 9.233 1.00 63.05 O ATOM 1657 CB LEU A 111 22.706 -8.675 9.808 1.00 12.44 C ATOM 1658 CG LEU A 111 22.592 -7.173 10.068 1.00 10.52 C ATOM 1659 CD1 LEU A 111 23.751 -6.429 9.420 1.00 71.33 C ATOM 1660 CD2 LEU A 111 21.262 -6.641 9.555 1.00 62.42 C ATOM 0 H LEU A 111 21.260 -8.368 7.773 1.00 51.13 H new ATOM 0 HA LEU A 111 24.119 -8.669 8.187 1.00 21.14 H new ATOM 0 HB2 LEU A 111 21.741 -9.135 10.021 1.00 12.44 H new ATOM 0 HB3 LEU A 111 23.421 -9.093 10.516 1.00 12.44 H new ATOM 0 HG LEU A 111 22.636 -7.007 11.144 1.00 10.52 H new ATOM 0 HD11 LEU A 111 23.653 -5.361 9.616 1.00 71.33 H new ATOM 0 HD12 LEU A 111 24.692 -6.789 9.835 1.00 71.33 H new ATOM 0 HD13 LEU A 111 23.739 -6.603 8.344 1.00 71.33 H new ATOM 0 HD21 LEU A 111 21.199 -5.570 9.749 1.00 62.42 H new ATOM 0 HD22 LEU A 111 21.188 -6.820 8.482 1.00 62.42 H new ATOM 0 HD23 LEU A 111 20.445 -7.151 10.066 1.00 62.42 H new ATOM 1672 N SER A 112 23.685 -11.089 7.153 1.00 54.12 N ATOM 1673 CA SER A 112 23.812 -12.525 6.929 1.00 12.24 C ATOM 1674 C SER A 112 24.909 -13.117 7.808 1.00 22.43 C ATOM 1675 O SER A 112 25.791 -12.414 8.302 1.00 1.40 O ATOM 1676 CB SER A 112 24.115 -12.807 5.456 1.00 43.45 C ATOM 1677 OG SER A 112 23.874 -11.662 4.656 1.00 13.22 O ATOM 0 H SER A 112 23.986 -10.511 6.368 1.00 54.12 H new ATOM 0 HA SER A 112 22.865 -12.995 7.195 1.00 12.24 H new ATOM 0 HB2 SER A 112 25.154 -13.117 5.348 1.00 43.45 H new ATOM 0 HB3 SER A 112 23.498 -13.635 5.107 1.00 43.45 H new ATOM 0 HG SER A 112 24.077 -11.868 3.720 1.00 13.22 H new ATOM 1683 N PRO A 113 24.854 -14.442 8.010 1.00 22.02 N ATOM 1684 CA PRO A 113 25.835 -15.160 8.829 1.00 43.14 C ATOM 1685 C PRO A 113 27.210 -15.217 8.170 1.00 2.12 C ATOM 1686 O PRO A 113 27.550 -16.198 7.507 1.00 12.34 O ATOM 1687 CB PRO A 113 25.240 -16.564 8.947 1.00 50.43 C ATOM 1688 CG PRO A 113 24.377 -16.712 7.741 1.00 10.11 C ATOM 1689 CD PRO A 113 23.831 -15.341 7.452 1.00 23.20 C ATOM 0 HA PRO A 113 26.000 -14.671 9.789 1.00 43.14 H new ATOM 0 HB2 PRO A 113 26.021 -17.324 8.971 1.00 50.43 H new ATOM 0 HB3 PRO A 113 24.661 -16.673 9.864 1.00 50.43 H new ATOM 0 HG2 PRO A 113 24.951 -17.090 6.895 1.00 10.11 H new ATOM 0 HG3 PRO A 113 23.571 -17.423 7.923 1.00 10.11 H new ATOM 0 HD2 PRO A 113 23.695 -15.180 6.383 1.00 23.20 H new ATOM 0 HD3 PRO A 113 22.860 -15.187 7.924 1.00 23.20 H new ATOM 1697 N TYR A 114 27.995 -14.162 8.357 1.00 23.50 N ATOM 1698 CA TYR A 114 29.331 -14.092 7.779 1.00 1.14 C ATOM 1699 C TYR A 114 29.267 -14.103 6.255 1.00 43.00 C ATOM 1700 O TYR A 114 30.214 -14.516 5.585 1.00 5.21 O ATOM 1701 CB TYR A 114 30.184 -15.262 8.272 1.00 52.22 C ATOM 1702 CG TYR A 114 30.153 -15.443 9.773 1.00 0.42 C ATOM 1703 CD1 TYR A 114 30.809 -14.553 10.614 1.00 13.42 C ATOM 1704 CD2 TYR A 114 29.468 -16.506 10.349 1.00 43.22 C ATOM 1705 CE1 TYR A 114 30.783 -14.716 11.986 1.00 52.31 C ATOM 1706 CE2 TYR A 114 29.436 -16.676 11.720 1.00 31.41 C ATOM 1707 CZ TYR A 114 30.095 -15.779 12.534 1.00 63.53 C ATOM 1708 OH TYR A 114 30.066 -15.943 13.900 1.00 74.32 O ATOM 0 H TYR A 114 27.729 -13.344 8.904 1.00 23.50 H new ATOM 0 HA TYR A 114 29.789 -13.156 8.099 1.00 1.14 H new ATOM 0 HB2 TYR A 114 29.837 -16.179 7.796 1.00 52.22 H new ATOM 0 HB3 TYR A 114 31.215 -15.108 7.954 1.00 52.22 H new ATOM 0 HD1 TYR A 114 31.348 -13.720 10.188 1.00 13.42 H new ATOM 0 HD2 TYR A 114 28.952 -17.211 9.714 1.00 43.22 H new ATOM 0 HE1 TYR A 114 31.298 -14.015 12.626 1.00 52.31 H new ATOM 0 HE2 TYR A 114 28.898 -17.507 12.152 1.00 31.41 H new ATOM 0 HH TYR A 114 29.760 -15.114 14.323 1.00 74.32 H new ATOM 1718 N SER A 115 28.143 -13.643 5.713 1.00 75.00 N ATOM 1719 CA SER A 115 27.953 -13.600 4.268 1.00 11.22 C ATOM 1720 C SER A 115 27.436 -12.234 3.828 1.00 71.44 C ATOM 1721 O SER A 115 27.188 -11.356 4.655 1.00 23.43 O ATOM 1722 CB SER A 115 26.976 -14.693 3.830 1.00 64.23 C ATOM 1723 OG SER A 115 27.215 -15.082 2.489 1.00 63.14 O ATOM 0 H SER A 115 27.351 -13.295 6.253 1.00 75.00 H new ATOM 0 HA SER A 115 28.919 -13.773 3.793 1.00 11.22 H new ATOM 0 HB2 SER A 115 27.075 -15.558 4.486 1.00 64.23 H new ATOM 0 HB3 SER A 115 25.952 -14.332 3.930 1.00 64.23 H new ATOM 0 HG SER A 115 26.579 -15.783 2.233 1.00 63.14 H new ATOM 1729 N TYR A 116 27.277 -12.063 2.520 1.00 41.15 N ATOM 1730 CA TYR A 116 26.792 -10.803 1.968 1.00 60.33 C ATOM 1731 C TYR A 116 25.840 -11.050 0.802 1.00 73.11 C ATOM 1732 O TYR A 116 25.718 -12.173 0.313 1.00 43.34 O ATOM 1733 CB TYR A 116 27.966 -9.938 1.509 1.00 52.20 C ATOM 1734 CG TYR A 116 29.000 -10.696 0.707 1.00 62.23 C ATOM 1735 CD1 TYR A 116 28.721 -11.139 -0.581 1.00 50.21 C ATOM 1736 CD2 TYR A 116 30.255 -10.969 1.236 1.00 64.02 C ATOM 1737 CE1 TYR A 116 29.662 -11.834 -1.316 1.00 70.32 C ATOM 1738 CE2 TYR A 116 31.203 -11.662 0.507 1.00 12.14 C ATOM 1739 CZ TYR A 116 30.901 -12.092 -0.769 1.00 0.53 C ATOM 1740 OH TYR A 116 31.841 -12.782 -1.499 1.00 30.40 O ATOM 0 H TYR A 116 27.477 -12.780 1.823 1.00 41.15 H new ATOM 0 HA TYR A 116 26.248 -10.277 2.752 1.00 60.33 H new ATOM 0 HB2 TYR A 116 27.585 -9.113 0.907 1.00 52.20 H new ATOM 0 HB3 TYR A 116 28.447 -9.499 2.383 1.00 52.20 H new ATOM 0 HD1 TYR A 116 27.753 -10.936 -1.014 1.00 50.21 H new ATOM 0 HD2 TYR A 116 30.494 -10.634 2.234 1.00 64.02 H new ATOM 0 HE1 TYR A 116 29.428 -12.174 -2.314 1.00 70.32 H new ATOM 0 HE2 TYR A 116 32.174 -11.866 0.933 1.00 12.14 H new ATOM 0 HH TYR A 116 32.660 -12.879 -0.969 1.00 30.40 H new ATOM 1750 N SER A 117 25.168 -9.992 0.361 1.00 25.22 N ATOM 1751 CA SER A 117 24.225 -10.092 -0.747 1.00 25.44 C ATOM 1752 C SER A 117 24.961 -10.232 -2.076 1.00 44.43 C ATOM 1753 O SER A 117 26.120 -9.838 -2.204 1.00 74.44 O ATOM 1754 CB SER A 117 23.314 -8.863 -0.782 1.00 52.34 C ATOM 1755 OG SER A 117 24.045 -7.697 -1.119 1.00 35.54 O ATOM 0 H SER A 117 25.259 -9.055 0.754 1.00 25.22 H new ATOM 0 HA SER A 117 23.616 -10.983 -0.594 1.00 25.44 H new ATOM 0 HB2 SER A 117 22.516 -9.018 -1.508 1.00 52.34 H new ATOM 0 HB3 SER A 117 22.839 -8.730 0.190 1.00 52.34 H new ATOM 0 HG SER A 117 23.441 -6.926 -1.137 1.00 35.54 H new ATOM 1761 N THR A 118 24.276 -10.798 -3.066 1.00 33.43 N ATOM 1762 CA THR A 118 24.863 -10.993 -4.386 1.00 53.23 C ATOM 1763 C THR A 118 25.048 -9.663 -5.108 1.00 74.11 C ATOM 1764 O THR A 118 24.075 -8.995 -5.461 1.00 53.14 O ATOM 1765 CB THR A 118 23.994 -11.919 -5.256 1.00 13.15 C ATOM 1766 OG1 THR A 118 23.307 -12.866 -4.430 1.00 55.10 O ATOM 1767 CG2 THR A 118 24.844 -12.655 -6.281 1.00 63.23 C ATOM 0 H THR A 118 23.315 -11.129 -2.978 1.00 33.43 H new ATOM 0 HA THR A 118 25.837 -11.459 -4.233 1.00 53.23 H new ATOM 0 HB THR A 118 23.266 -11.304 -5.786 1.00 13.15 H new ATOM 0 HG1 THR A 118 22.755 -13.450 -4.991 1.00 55.10 H new ATOM 0 HG21 THR A 118 24.208 -13.303 -6.884 1.00 63.23 H new ATOM 0 HG22 THR A 118 25.342 -11.932 -6.927 1.00 63.23 H new ATOM 0 HG23 THR A 118 25.593 -13.258 -5.767 1.00 63.23 H new ATOM 1775 N THR A 119 26.303 -9.282 -5.326 1.00 11.45 N ATOM 1776 CA THR A 119 26.615 -8.030 -6.005 1.00 25.02 C ATOM 1777 C THR A 119 28.036 -8.043 -6.556 1.00 41.31 C ATOM 1778 O THR A 119 28.828 -8.928 -6.233 1.00 44.13 O ATOM 1779 CB THR A 119 26.453 -6.823 -5.061 1.00 11.34 C ATOM 1780 OG1 THR A 119 26.625 -5.604 -5.792 1.00 72.04 O ATOM 1781 CG2 THR A 119 27.462 -6.887 -3.925 1.00 25.02 C ATOM 0 H THR A 119 27.120 -9.823 -5.042 1.00 11.45 H new ATOM 0 HA THR A 119 25.909 -7.933 -6.830 1.00 25.02 H new ATOM 0 HB THR A 119 25.450 -6.852 -4.636 1.00 11.34 H new ATOM 0 HG1 THR A 119 26.519 -4.841 -5.186 1.00 72.04 H new ATOM 0 HG21 THR A 119 27.329 -6.025 -3.271 1.00 25.02 H new ATOM 0 HG22 THR A 119 27.309 -7.803 -3.354 1.00 25.02 H new ATOM 0 HG23 THR A 119 28.472 -6.879 -4.335 1.00 25.02 H new ATOM 1789 N ALA A 120 28.352 -7.058 -7.388 1.00 13.22 N ATOM 1790 CA ALA A 120 29.679 -6.954 -7.982 1.00 52.22 C ATOM 1791 C ALA A 120 30.377 -5.670 -7.547 1.00 55.15 C ATOM 1792 O ALA A 120 30.380 -4.676 -8.273 1.00 65.21 O ATOM 1793 CB ALA A 120 29.586 -7.018 -9.499 1.00 42.50 C ATOM 0 H ALA A 120 27.707 -6.319 -7.667 1.00 13.22 H new ATOM 0 HA ALA A 120 30.273 -7.797 -7.630 1.00 52.22 H new ATOM 0 HB1 ALA A 120 30.585 -6.939 -9.928 1.00 42.50 H new ATOM 0 HB2 ALA A 120 29.137 -7.966 -9.796 1.00 42.50 H new ATOM 0 HB3 ALA A 120 28.969 -6.195 -9.861 1.00 42.50 H new ATOM 1799 N VAL A 121 30.968 -5.697 -6.356 1.00 4.12 N ATOM 1800 CA VAL A 121 31.670 -4.535 -5.825 1.00 43.11 C ATOM 1801 C VAL A 121 33.105 -4.885 -5.447 1.00 30.44 C ATOM 1802 O VAL A 121 33.381 -5.982 -4.960 1.00 24.04 O ATOM 1803 CB VAL A 121 30.950 -3.962 -4.588 1.00 72.25 C ATOM 1804 CG1 VAL A 121 29.594 -3.393 -4.976 1.00 1.23 C ATOM 1805 CG2 VAL A 121 30.803 -5.031 -3.516 1.00 33.31 C ATOM 0 H VAL A 121 30.974 -6.511 -5.741 1.00 4.12 H new ATOM 0 HA VAL A 121 31.678 -3.782 -6.613 1.00 43.11 H new ATOM 0 HB VAL A 121 31.553 -3.151 -4.180 1.00 72.25 H new ATOM 0 HG11 VAL A 121 29.100 -2.993 -4.090 1.00 1.23 H new ATOM 0 HG12 VAL A 121 29.730 -2.596 -5.707 1.00 1.23 H new ATOM 0 HG13 VAL A 121 28.979 -4.182 -5.409 1.00 1.23 H new ATOM 0 HG21 VAL A 121 30.293 -4.610 -2.650 1.00 33.31 H new ATOM 0 HG22 VAL A 121 30.221 -5.864 -3.910 1.00 33.31 H new ATOM 0 HG23 VAL A 121 31.790 -5.386 -3.219 1.00 33.31 H new ATOM 1815 N VAL A 122 34.017 -3.945 -5.674 1.00 21.23 N ATOM 1816 CA VAL A 122 35.424 -4.152 -5.356 1.00 51.40 C ATOM 1817 C VAL A 122 36.052 -2.885 -4.786 1.00 21.04 C ATOM 1818 O VAL A 122 35.648 -1.772 -5.125 1.00 52.34 O ATOM 1819 CB VAL A 122 36.221 -4.592 -6.598 1.00 74.35 C ATOM 1820 CG1 VAL A 122 35.801 -5.988 -7.034 1.00 52.43 C ATOM 1821 CG2 VAL A 122 36.037 -3.593 -7.730 1.00 10.13 C ATOM 0 H VAL A 122 33.806 -3.032 -6.077 1.00 21.23 H new ATOM 0 HA VAL A 122 35.465 -4.943 -4.607 1.00 51.40 H new ATOM 0 HB VAL A 122 37.279 -4.621 -6.338 1.00 74.35 H new ATOM 0 HG11 VAL A 122 36.374 -6.283 -7.913 1.00 52.43 H new ATOM 0 HG12 VAL A 122 35.989 -6.694 -6.225 1.00 52.43 H new ATOM 0 HG13 VAL A 122 34.738 -5.989 -7.277 1.00 52.43 H new ATOM 0 HG21 VAL A 122 36.607 -3.920 -8.600 1.00 10.13 H new ATOM 0 HG22 VAL A 122 34.981 -3.530 -7.991 1.00 10.13 H new ATOM 0 HG23 VAL A 122 36.391 -2.613 -7.411 1.00 10.13 H new ATOM 1831 N THR A 123 37.044 -3.061 -3.918 1.00 54.15 N ATOM 1832 CA THR A 123 37.727 -1.932 -3.301 1.00 30.41 C ATOM 1833 C THR A 123 39.241 -2.083 -3.402 1.00 22.22 C ATOM 1834 O THR A 123 39.822 -3.005 -2.832 1.00 52.11 O ATOM 1835 CB THR A 123 37.337 -1.782 -1.818 1.00 20.34 C ATOM 1836 OG1 THR A 123 35.911 -1.784 -1.684 1.00 33.22 O ATOM 1837 CG2 THR A 123 37.904 -0.495 -1.237 1.00 21.05 C ATOM 0 H THR A 123 37.392 -3.975 -3.627 1.00 54.15 H new ATOM 0 HA THR A 123 37.416 -1.040 -3.844 1.00 30.41 H new ATOM 0 HB THR A 123 37.755 -2.625 -1.268 1.00 20.34 H new ATOM 0 HG1 THR A 123 35.671 -1.690 -0.738 1.00 33.22 H new ATOM 0 HG21 THR A 123 37.616 -0.411 -0.189 1.00 21.05 H new ATOM 0 HG22 THR A 123 38.991 -0.509 -1.314 1.00 21.05 H new ATOM 0 HG23 THR A 123 37.512 0.358 -1.791 1.00 21.05 H new ATOM 1845 N ASN A 124 39.874 -1.170 -4.134 1.00 75.41 N ATOM 1846 CA ASN A 124 41.321 -1.203 -4.310 1.00 53.22 C ATOM 1847 C ASN A 124 41.851 0.171 -4.710 1.00 22.31 C ATOM 1848 O ASN A 124 41.117 1.029 -5.198 1.00 32.20 O ATOM 1849 CB ASN A 124 41.703 -2.237 -5.370 1.00 13.12 C ATOM 1850 CG ASN A 124 40.653 -2.368 -6.457 1.00 63.22 C ATOM 1851 OD1 ASN A 124 40.620 -1.580 -7.401 1.00 54.42 O ATOM 1852 ND2 ASN A 124 39.788 -3.367 -6.325 1.00 64.04 N ATOM 0 H ASN A 124 39.408 -0.400 -4.614 1.00 75.41 H new ATOM 0 HA ASN A 124 41.772 -1.485 -3.358 1.00 53.22 H new ATOM 0 HB2 ASN A 124 42.655 -1.956 -5.821 1.00 13.12 H new ATOM 0 HB3 ASN A 124 41.850 -3.206 -4.892 1.00 13.12 H new ATOM 0 HD21 ASN A 124 39.058 -3.505 -7.024 1.00 64.04 H new ATOM 0 HD22 ASN A 124 39.854 -3.996 -5.525 1.00 64.04 H new ATOM 1859 N PRO A 125 43.158 0.384 -4.498 1.00 24.52 N ATOM 1860 CA PRO A 125 43.817 1.651 -4.830 1.00 24.42 C ATOM 1861 C PRO A 125 43.923 1.873 -6.336 1.00 35.53 C ATOM 1862 O PRO A 125 43.460 1.053 -7.129 1.00 10.22 O ATOM 1863 CB PRO A 125 45.209 1.500 -4.212 1.00 72.35 C ATOM 1864 CG PRO A 125 45.442 0.030 -4.158 1.00 62.25 C ATOM 1865 CD PRO A 125 44.094 -0.593 -3.920 1.00 3.25 C ATOM 0 HA PRO A 125 43.260 2.510 -4.455 1.00 24.42 H new ATOM 0 HB2 PRO A 125 45.967 1.999 -4.816 1.00 72.35 H new ATOM 0 HB3 PRO A 125 45.251 1.944 -3.218 1.00 72.35 H new ATOM 0 HG2 PRO A 125 45.880 -0.330 -5.089 1.00 62.25 H new ATOM 0 HG3 PRO A 125 46.137 -0.226 -3.359 1.00 62.25 H new ATOM 0 HD2 PRO A 125 44.010 -1.565 -4.405 1.00 3.25 H new ATOM 0 HD3 PRO A 125 43.906 -0.749 -2.858 1.00 3.25 H new ATOM 1873 N LYS A 126 44.538 2.985 -6.723 1.00 63.33 N ATOM 1874 CA LYS A 126 44.708 3.314 -8.133 1.00 0.11 C ATOM 1875 C LYS A 126 45.613 2.299 -8.824 1.00 52.52 C ATOM 1876 O LYS A 126 45.656 2.227 -10.051 1.00 75.10 O ATOM 1877 CB LYS A 126 45.294 4.720 -8.284 1.00 43.13 C ATOM 1878 CG LYS A 126 46.810 4.760 -8.195 1.00 31.53 C ATOM 1879 CD LYS A 126 47.299 4.346 -6.817 1.00 32.21 C ATOM 1880 CE LYS A 126 46.925 5.375 -5.761 1.00 52.15 C ATOM 1881 NZ LYS A 126 46.415 4.732 -4.517 1.00 22.22 N1+ ATOM 0 H LYS A 126 44.927 3.674 -6.080 1.00 63.33 H new ATOM 0 HA LYS A 126 43.727 3.283 -8.607 1.00 0.11 H new ATOM 0 HB2 LYS A 126 44.984 5.133 -9.244 1.00 43.13 H new ATOM 0 HB3 LYS A 126 44.876 5.364 -7.510 1.00 43.13 H new ATOM 0 HG2 LYS A 126 47.237 4.097 -8.948 1.00 31.53 H new ATOM 0 HG3 LYS A 126 47.162 5.767 -8.420 1.00 31.53 H new ATOM 0 HD2 LYS A 126 46.870 3.379 -6.553 1.00 32.21 H new ATOM 0 HD3 LYS A 126 48.382 4.220 -6.836 1.00 32.21 H new ATOM 0 HE2 LYS A 126 47.796 5.985 -5.524 1.00 52.15 H new ATOM 0 HE3 LYS A 126 46.165 6.046 -6.161 1.00 52.15 H new ATOM 0 HZ1 LYS A 126 46.659 5.322 -3.696 1.00 22.22 H new ATOM 0 HZ2 LYS A 126 45.382 4.632 -4.577 1.00 22.22 H new ATOM 0 HZ3 LYS A 126 46.848 3.793 -4.409 1.00 22.22 H new ATOM 1895 N GLU A 127 46.332 1.515 -8.026 1.00 3.11 N ATOM 1896 CA GLU A 127 47.235 0.503 -8.562 1.00 3.11 C ATOM 1897 C GLU A 127 46.663 -0.897 -8.363 1.00 14.11 C ATOM 1898 O GLU A 127 47.274 -1.890 -8.758 1.00 23.13 O ATOM 1899 CB GLU A 127 48.607 0.605 -7.893 1.00 11.02 C ATOM 1900 CG GLU A 127 49.539 1.600 -8.564 1.00 14.01 C ATOM 1901 CD GLU A 127 49.955 1.162 -9.955 1.00 3.05 C ATOM 1902 OE1 GLU A 127 50.710 0.173 -10.066 1.00 25.34 O1- ATOM 1903 OE2 GLU A 127 49.524 1.808 -10.933 1.00 15.22 O ATOM 0 H GLU A 127 46.307 1.561 -7.007 1.00 3.11 H new ATOM 0 HA GLU A 127 47.346 0.683 -9.631 1.00 3.11 H new ATOM 0 HB2 GLU A 127 48.473 0.892 -6.850 1.00 11.02 H new ATOM 0 HB3 GLU A 127 49.077 -0.379 -7.895 1.00 11.02 H new ATOM 0 HG2 GLU A 127 49.046 2.570 -8.625 1.00 14.01 H new ATOM 0 HG3 GLU A 127 50.428 1.732 -7.948 1.00 14.01 H new TER 1910 GLU A 127