USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 780 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 36 THR OG1 : rot 25:sc= -2.47! USER MOD Set 1.2: A 40 TYR OH : rot 175:sc= -8.33! USER MOD Set 1.3: A 113 TYR OH : rot 180:sc= 0.319 USER MOD Set 2.1: A 49 GLN : amide:sc= -3.36! C(o=-5.6!,f=-8.7!) USER MOD Set 2.2: A 51 LYS NZ :NH3+ -168:sc= -2.24 (180deg=-2.31) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -1.17! USER MOD Single : A 22 GLN :FLIP amide:sc= -5.94! C(o=-7!,f=-5.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -5.58! C(o=-5.6!,f=-9!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.194 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN :FLIP amide:sc= -1.32 F(o=-3.4!,f=-1.3) USER MOD Single : A 58 THR OG1 : rot -37:sc= 0.291 USER MOD Single : A 59 ASN :FLIP amide:sc= -4.65! C(o=-5.4!,f=-4.6!) USER MOD Single : A 60 TYR OH : rot 15:sc= -5.04! USER MOD Single : A 61 TYR OH : rot -57:sc= 0.621 USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= -2.61 (180deg=-3.98) USER MOD Single : A 92 ASN : amide:sc= -0.423 X(o=-0.42,f=-0.49) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 95 MET CE :methyl -179:sc= -8.21! (180deg=-8.28!) USER MOD Single : A 96 HIS :FLIP no HD1:sc= -12.5! C(o=-14!,f=-12!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0.0343 USER MOD Single : A 105 GLN : amide:sc= -0.555 K(o=-0.56,f=-4!) USER MOD Single : A 105AASN : amide:sc= -6.85! C(o=-6.9!,f=-14!) USER MOD Single : A 111 THR OG1 : rot 174:sc= -4.14! USER MOD Single : A 114 GLN : amide:sc= -7.02! C(o=-7!,f=-8.2!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc=-0.00727 K(o=-0.0073,f=-1.1) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= -1.15! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 -10.085 8.695 20.081 1.00 0.00 N ATOM 2 CA MET A 6 -8.722 8.117 19.907 1.00 0.00 C ATOM 3 C MET A 6 -8.776 6.986 18.879 1.00 0.00 C ATOM 4 O MET A 6 -8.050 6.984 17.905 1.00 0.00 O ATOM 5 CB MET A 6 -8.228 7.564 21.245 1.00 0.00 C ATOM 6 CG MET A 6 -7.709 8.713 22.113 1.00 0.00 C ATOM 7 SD MET A 6 -6.281 8.149 23.071 1.00 0.00 S ATOM 8 CE MET A 6 -5.004 8.630 21.882 1.00 0.00 C ATOM 0 HA MET A 6 -8.040 8.893 19.560 1.00 0.00 H new ATOM 0 HB2 MET A 6 -9.038 7.045 21.757 1.00 0.00 H new ATOM 0 HB3 MET A 6 -7.436 6.834 21.079 1.00 0.00 H new ATOM 0 HG2 MET A 6 -7.428 9.559 21.485 1.00 0.00 H new ATOM 0 HG3 MET A 6 -8.495 9.061 22.783 1.00 0.00 H new ATOM 0 HE1 MET A 6 -4.022 8.369 22.277 1.00 0.00 H new ATOM 0 HE2 MET A 6 -5.167 8.106 20.941 1.00 0.00 H new ATOM 0 HE3 MET A 6 -5.052 9.705 21.711 1.00 0.00 H new ATOM 20 N ILE A 7 -9.628 6.022 19.091 1.00 0.00 N ATOM 21 CA ILE A 7 -9.727 4.888 18.129 1.00 0.00 C ATOM 22 C ILE A 7 -10.239 5.405 16.777 1.00 0.00 C ATOM 23 O ILE A 7 -11.232 6.103 16.724 1.00 0.00 O ATOM 24 CB ILE A 7 -10.705 3.846 18.675 1.00 0.00 C ATOM 25 CG1 ILE A 7 -10.210 3.347 20.035 1.00 0.00 C ATOM 26 CG2 ILE A 7 -10.796 2.668 17.704 1.00 0.00 C ATOM 27 CD1 ILE A 7 -11.388 2.774 20.826 1.00 0.00 C ATOM 0 H ILE A 7 -10.261 5.970 19.889 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.744 4.436 17.997 1.00 0.00 H new ATOM 0 HB ILE A 7 -11.690 4.299 18.788 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.444 2.584 19.898 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.749 4.165 20.589 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -11.493 1.927 18.095 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -11.148 3.022 16.735 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.812 2.215 17.589 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.037 2.418 21.795 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -12.138 3.550 20.975 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.829 1.945 20.273 1.00 0.00 H new ATOM 39 N PRO A 8 -9.549 5.045 15.721 1.00 0.00 N ATOM 40 CA PRO A 8 -9.919 5.460 14.357 1.00 0.00 C ATOM 41 C PRO A 8 -11.075 4.598 13.838 1.00 0.00 C ATOM 42 O PRO A 8 -12.162 5.083 13.595 1.00 0.00 O ATOM 43 CB PRO A 8 -8.644 5.212 13.547 1.00 0.00 C ATOM 44 CG PRO A 8 -7.824 4.162 14.335 1.00 0.00 C ATOM 45 CD PRO A 8 -8.341 4.198 15.786 1.00 0.00 C ATOM 0 HA PRO A 8 -10.258 6.494 14.297 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.883 4.848 12.548 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.077 6.135 13.423 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.950 3.169 13.903 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.760 4.394 14.297 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.576 3.198 16.150 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.597 4.617 16.463 1.00 0.00 H new ATOM 53 N GLY A 9 -10.851 3.322 13.672 1.00 0.00 N ATOM 54 CA GLY A 9 -11.943 2.436 13.176 1.00 0.00 C ATOM 55 C GLY A 9 -11.359 1.352 12.266 1.00 0.00 C ATOM 56 O GLY A 9 -11.210 0.212 12.658 1.00 0.00 O ATOM 0 H GLY A 9 -9.963 2.856 13.858 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -12.461 1.977 14.018 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -12.681 3.024 12.630 1.00 0.00 H new ATOM 60 N GLY A 10 -11.038 1.697 11.050 1.00 0.00 N ATOM 61 CA GLY A 10 -10.473 0.688 10.110 1.00 0.00 C ATOM 62 C GLY A 10 -9.169 0.120 10.667 1.00 0.00 C ATOM 63 O GLY A 10 -9.086 -0.278 11.811 1.00 0.00 O ATOM 0 H GLY A 10 -11.143 2.636 10.666 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.191 -0.117 9.954 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.292 1.147 9.138 1.00 0.00 H new ATOM 67 N LEU A 11 -8.153 0.079 9.853 1.00 0.00 N ATOM 68 CA LEU A 11 -6.841 -0.462 10.296 1.00 0.00 C ATOM 69 C LEU A 11 -7.028 -1.673 11.192 1.00 0.00 C ATOM 70 O LEU A 11 -7.202 -1.574 12.390 1.00 0.00 O ATOM 71 CB LEU A 11 -6.055 0.619 11.015 1.00 0.00 C ATOM 72 CG LEU A 11 -5.318 1.403 9.947 1.00 0.00 C ATOM 73 CD1 LEU A 11 -5.651 2.889 10.082 1.00 0.00 C ATOM 74 CD2 LEU A 11 -3.810 1.200 10.099 1.00 0.00 C ATOM 0 H LEU A 11 -8.177 0.402 8.886 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.281 -0.781 9.417 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.721 1.269 11.583 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.355 0.181 11.726 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.629 1.048 8.964 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.121 3.452 9.314 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.725 3.034 9.962 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.345 3.242 11.067 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.287 1.766 9.328 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.493 1.548 11.082 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.573 0.141 9.995 1.00 0.00 H new ATOM 86 N SER A 12 -6.977 -2.817 10.593 1.00 0.00 N ATOM 87 CA SER A 12 -7.131 -4.089 11.356 1.00 0.00 C ATOM 88 C SER A 12 -5.754 -4.711 11.574 1.00 0.00 C ATOM 89 O SER A 12 -4.747 -4.151 11.198 1.00 0.00 O ATOM 90 CB SER A 12 -8.006 -5.053 10.555 1.00 0.00 C ATOM 91 OG SER A 12 -7.392 -5.309 9.298 1.00 0.00 O ATOM 0 H SER A 12 -6.833 -2.935 9.590 1.00 0.00 H new ATOM 0 HA SER A 12 -7.598 -3.889 12.320 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.138 -5.985 11.105 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.998 -4.626 10.408 1.00 0.00 H new ATOM 0 HG SER A 12 -7.949 -5.928 8.782 1.00 0.00 H new ATOM 97 N GLU A 13 -5.695 -5.870 12.171 1.00 0.00 N ATOM 98 CA GLU A 13 -4.380 -6.516 12.390 1.00 0.00 C ATOM 99 C GLU A 13 -3.623 -6.541 11.063 1.00 0.00 C ATOM 100 O GLU A 13 -4.117 -6.081 10.054 1.00 0.00 O ATOM 101 CB GLU A 13 -4.585 -7.947 12.892 1.00 0.00 C ATOM 102 CG GLU A 13 -3.587 -8.247 14.013 1.00 0.00 C ATOM 103 CD GLU A 13 -3.009 -9.652 13.825 1.00 0.00 C ATOM 104 OE1 GLU A 13 -2.655 -9.980 12.706 1.00 0.00 O ATOM 105 OE2 GLU A 13 -2.930 -10.375 14.806 1.00 0.00 O ATOM 0 H GLU A 13 -6.501 -6.393 12.514 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.811 -5.959 13.134 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.605 -8.073 13.256 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.450 -8.653 12.073 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.785 -7.509 14.006 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.080 -8.173 14.982 1.00 0.00 H new ATOM 112 N ALA A 14 -2.433 -7.069 11.046 1.00 0.00 N ATOM 113 CA ALA A 14 -1.675 -7.101 9.762 1.00 0.00 C ATOM 114 C ALA A 14 -2.189 -8.218 8.876 1.00 0.00 C ATOM 115 O ALA A 14 -1.736 -9.342 8.960 1.00 0.00 O ATOM 116 CB ALA A 14 -0.190 -7.366 9.997 1.00 0.00 C ATOM 0 H ALA A 14 -1.956 -7.475 11.851 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.812 -6.128 9.291 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.332 -7.383 9.040 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.226 -6.577 10.624 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.066 -8.328 10.495 1.00 0.00 H new ATOM 122 N LYS A 15 -3.072 -7.923 7.977 1.00 0.00 N ATOM 123 CA LYS A 15 -3.511 -8.989 7.057 1.00 0.00 C ATOM 124 C LYS A 15 -2.305 -9.222 6.164 1.00 0.00 C ATOM 125 O LYS A 15 -1.771 -8.284 5.623 1.00 0.00 O ATOM 126 CB LYS A 15 -4.713 -8.520 6.233 1.00 0.00 C ATOM 127 CG LYS A 15 -5.919 -8.328 7.157 1.00 0.00 C ATOM 128 CD LYS A 15 -6.309 -9.675 7.776 1.00 0.00 C ATOM 129 CE LYS A 15 -6.298 -9.558 9.301 1.00 0.00 C ATOM 130 NZ LYS A 15 -7.525 -10.195 9.858 1.00 0.00 N ATOM 0 H LYS A 15 -3.501 -7.008 7.841 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.828 -9.894 7.576 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.477 -7.585 5.725 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.946 -9.252 5.460 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.678 -7.611 7.942 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.758 -7.917 6.596 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.299 -9.973 7.431 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.613 -10.450 7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.409 -10.040 9.707 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.254 -8.509 9.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.517 -10.115 10.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.367 -9.716 9.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.548 -11.199 9.588 1.00 0.00 H new ATOM 144 N PRO A 16 -1.859 -10.432 6.064 1.00 0.00 N ATOM 145 CA PRO A 16 -0.660 -10.714 5.275 1.00 0.00 C ATOM 146 C PRO A 16 -0.934 -10.405 3.799 1.00 0.00 C ATOM 147 O PRO A 16 -1.918 -10.844 3.235 1.00 0.00 O ATOM 148 CB PRO A 16 -0.380 -12.196 5.551 1.00 0.00 C ATOM 149 CG PRO A 16 -1.713 -12.796 6.058 1.00 0.00 C ATOM 150 CD PRO A 16 -2.505 -11.617 6.662 1.00 0.00 C ATOM 0 HA PRO A 16 0.207 -10.106 5.534 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.042 -12.704 4.648 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.408 -12.312 6.295 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.267 -13.262 5.243 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.534 -13.570 6.805 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.563 -11.670 6.406 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.440 -11.604 7.750 1.00 0.00 H new ATOM 158 N ALA A 17 -0.097 -9.611 3.183 1.00 0.00 N ATOM 159 CA ALA A 17 -0.339 -9.229 1.765 1.00 0.00 C ATOM 160 C ALA A 17 -0.799 -10.425 0.936 1.00 0.00 C ATOM 161 O ALA A 17 -0.676 -11.570 1.323 1.00 0.00 O ATOM 162 CB ALA A 17 0.932 -8.658 1.141 1.00 0.00 C ATOM 0 H ALA A 17 0.743 -9.212 3.603 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.125 -8.474 1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.737 -8.384 0.104 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.245 -7.774 1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.723 -9.407 1.176 1.00 0.00 H new ATOM 168 N THR A 18 -1.315 -10.133 -0.221 1.00 0.00 N ATOM 169 CA THR A 18 -1.793 -11.181 -1.156 1.00 0.00 C ATOM 170 C THR A 18 -1.495 -10.660 -2.563 1.00 0.00 C ATOM 171 O THR A 18 -0.787 -9.685 -2.688 1.00 0.00 O ATOM 172 CB THR A 18 -3.305 -11.393 -0.965 1.00 0.00 C ATOM 173 OG1 THR A 18 -4.021 -10.590 -1.880 1.00 0.00 O ATOM 174 CG2 THR A 18 -3.726 -10.993 0.437 1.00 0.00 C ATOM 0 H THR A 18 -1.428 -9.180 -0.567 1.00 0.00 H new ATOM 0 HA THR A 18 -1.303 -12.139 -0.982 1.00 0.00 H new ATOM 0 HB THR A 18 -3.521 -12.449 -1.130 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.983 -10.730 -1.755 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.798 -11.150 0.554 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.189 -11.601 1.165 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.493 -9.941 0.600 1.00 0.00 H new ATOM 182 N PRO A 19 -2.026 -11.272 -3.591 1.00 0.00 N ATOM 183 CA PRO A 19 -1.779 -10.777 -4.949 1.00 0.00 C ATOM 184 C PRO A 19 -2.552 -9.470 -5.150 1.00 0.00 C ATOM 185 O PRO A 19 -2.247 -8.678 -6.021 1.00 0.00 O ATOM 186 CB PRO A 19 -2.274 -11.910 -5.854 1.00 0.00 C ATOM 187 CG PRO A 19 -3.252 -12.749 -5.001 1.00 0.00 C ATOM 188 CD PRO A 19 -2.900 -12.470 -3.526 1.00 0.00 C ATOM 0 HA PRO A 19 -0.736 -10.543 -5.163 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.772 -11.512 -6.738 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.441 -12.520 -6.204 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.285 -12.473 -5.212 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.153 -13.810 -5.229 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.793 -12.282 -2.930 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.386 -13.316 -3.071 1.00 0.00 H new ATOM 196 N GLU A 20 -3.526 -9.217 -4.315 1.00 0.00 N ATOM 197 CA GLU A 20 -4.290 -7.945 -4.440 1.00 0.00 C ATOM 198 C GLU A 20 -3.520 -6.852 -3.712 1.00 0.00 C ATOM 199 O GLU A 20 -3.324 -5.770 -4.226 1.00 0.00 O ATOM 200 CB GLU A 20 -5.684 -8.107 -3.829 1.00 0.00 C ATOM 201 CG GLU A 20 -6.605 -8.803 -4.835 1.00 0.00 C ATOM 202 CD GLU A 20 -7.801 -7.900 -5.147 1.00 0.00 C ATOM 203 OE1 GLU A 20 -8.108 -7.050 -4.327 1.00 0.00 O ATOM 204 OE2 GLU A 20 -8.389 -8.074 -6.202 1.00 0.00 O ATOM 0 H GLU A 20 -3.822 -9.833 -3.558 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.408 -7.680 -5.491 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.624 -8.691 -2.910 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.091 -7.132 -3.561 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.057 -9.027 -5.750 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.951 -9.754 -4.430 1.00 0.00 H new ATOM 211 N ILE A 21 -3.050 -7.141 -2.533 1.00 0.00 N ATOM 212 CA ILE A 21 -2.253 -6.135 -1.785 1.00 0.00 C ATOM 213 C ILE A 21 -1.067 -5.760 -2.659 1.00 0.00 C ATOM 214 O ILE A 21 -0.835 -4.610 -2.978 1.00 0.00 O ATOM 215 CB ILE A 21 -1.766 -6.775 -0.480 1.00 0.00 C ATOM 216 CG1 ILE A 21 -2.921 -7.556 0.154 1.00 0.00 C ATOM 217 CG2 ILE A 21 -1.285 -5.688 0.489 1.00 0.00 C ATOM 218 CD1 ILE A 21 -4.216 -6.755 0.031 1.00 0.00 C ATOM 0 H ILE A 21 -3.184 -8.032 -2.055 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.840 -5.248 -1.547 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.937 -7.449 -0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.032 -8.522 -0.338 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.704 -7.756 1.203 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.941 -6.151 1.414 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.465 -5.132 0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.107 -5.007 0.709 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.034 -7.315 0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.103 -5.800 0.543 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.436 -6.578 -1.022 1.00 0.00 H new ATOM 230 N GLN A 22 -0.337 -6.749 -3.066 1.00 0.00 N ATOM 231 CA GLN A 22 0.837 -6.512 -3.956 1.00 0.00 C ATOM 232 C GLN A 22 0.350 -5.891 -5.271 1.00 0.00 C ATOM 233 O GLN A 22 1.110 -5.283 -5.985 1.00 0.00 O ATOM 234 CB GLN A 22 1.549 -7.845 -4.231 1.00 0.00 C ATOM 235 CG GLN A 22 2.468 -7.727 -5.456 1.00 0.00 C ATOM 236 CD GLN A 22 3.774 -7.014 -5.080 1.00 0.00 C ATOM 237 OE1 GLN A 22 3.895 -5.728 -5.294 1.00 0.00 O flip ATOM 238 NE2 GLN A 22 4.692 -7.633 -4.581 1.00 0.00 N flip ATOM 0 H GLN A 22 -0.500 -7.726 -2.821 1.00 0.00 H new ATOM 0 HA GLN A 22 1.539 -5.831 -3.474 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.133 -8.138 -3.359 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.811 -8.630 -4.398 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.689 -8.719 -5.850 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.960 -7.176 -6.247 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.600 -8.635 -4.413 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.555 -7.151 -4.330 1.00 0.00 H new ATOM 247 N GLU A 23 -0.908 -6.030 -5.606 1.00 0.00 N ATOM 248 CA GLU A 23 -1.397 -5.411 -6.876 1.00 0.00 C ATOM 249 C GLU A 23 -1.545 -3.903 -6.660 1.00 0.00 C ATOM 250 O GLU A 23 -1.300 -3.104 -7.538 1.00 0.00 O ATOM 251 CB GLU A 23 -2.754 -6.004 -7.257 1.00 0.00 C ATOM 252 CG GLU A 23 -3.174 -5.478 -8.631 1.00 0.00 C ATOM 253 CD GLU A 23 -3.991 -6.546 -9.360 1.00 0.00 C ATOM 254 OE1 GLU A 23 -3.519 -7.669 -9.446 1.00 0.00 O ATOM 255 OE2 GLU A 23 -5.073 -6.225 -9.823 1.00 0.00 O ATOM 0 H GLU A 23 -1.608 -6.537 -5.065 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.686 -5.609 -7.678 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.695 -7.092 -7.275 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.502 -5.738 -6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.763 -4.568 -8.519 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.293 -5.217 -9.217 1.00 0.00 H new ATOM 262 N ILE A 24 -1.930 -3.527 -5.478 1.00 0.00 N ATOM 263 CA ILE A 24 -2.092 -2.084 -5.131 1.00 0.00 C ATOM 264 C ILE A 24 -0.730 -1.417 -5.164 1.00 0.00 C ATOM 265 O ILE A 24 -0.536 -0.380 -5.764 1.00 0.00 O ATOM 266 CB ILE A 24 -2.661 -2.010 -3.712 1.00 0.00 C ATOM 267 CG1 ILE A 24 -4.148 -2.357 -3.741 1.00 0.00 C ATOM 268 CG2 ILE A 24 -2.474 -0.612 -3.134 1.00 0.00 C ATOM 269 CD1 ILE A 24 -4.448 -3.359 -2.627 1.00 0.00 C ATOM 0 H ILE A 24 -2.145 -4.171 -4.717 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.756 -1.583 -5.835 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.129 -2.723 -3.082 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.747 -1.456 -3.608 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.417 -2.779 -4.709 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.884 -0.578 -2.125 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.412 -0.371 -3.102 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.992 0.113 -3.761 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.508 -3.612 -2.641 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.857 -4.262 -2.781 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.193 -2.919 -1.663 1.00 0.00 H new ATOM 281 N VAL A 25 0.203 -2.016 -4.512 1.00 0.00 N ATOM 282 CA VAL A 25 1.564 -1.463 -4.465 1.00 0.00 C ATOM 283 C VAL A 25 2.215 -1.577 -5.833 1.00 0.00 C ATOM 284 O VAL A 25 2.879 -0.680 -6.304 1.00 0.00 O ATOM 285 CB VAL A 25 2.342 -2.297 -3.492 1.00 0.00 C ATOM 286 CG1 VAL A 25 2.391 -3.701 -4.025 1.00 0.00 C ATOM 287 CG2 VAL A 25 3.750 -1.784 -3.401 1.00 0.00 C ATOM 0 H VAL A 25 0.077 -2.887 -3.997 1.00 0.00 H new ATOM 0 HA VAL A 25 1.542 -0.414 -4.170 1.00 0.00 H new ATOM 0 HB VAL A 25 1.872 -2.259 -2.509 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.952 -4.332 -3.336 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.377 -4.087 -4.127 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.880 -3.703 -4.999 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.314 -2.392 -2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.221 -1.839 -4.382 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.739 -0.748 -3.061 1.00 0.00 H new ATOM 297 N ASP A 26 2.009 -2.684 -6.468 1.00 0.00 N ATOM 298 CA ASP A 26 2.587 -2.892 -7.823 1.00 0.00 C ATOM 299 C ASP A 26 1.806 -2.012 -8.778 1.00 0.00 C ATOM 300 O ASP A 26 2.229 -1.719 -9.878 1.00 0.00 O ATOM 301 CB ASP A 26 2.444 -4.358 -8.247 1.00 0.00 C ATOM 302 CG ASP A 26 3.445 -4.667 -9.361 1.00 0.00 C ATOM 303 OD1 ASP A 26 3.257 -4.162 -10.456 1.00 0.00 O ATOM 304 OD2 ASP A 26 4.382 -5.404 -9.101 1.00 0.00 O ATOM 0 H ASP A 26 1.460 -3.465 -6.108 1.00 0.00 H new ATOM 0 HA ASP A 26 3.648 -2.641 -7.827 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.620 -5.013 -7.394 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.428 -4.550 -8.593 1.00 0.00 H new ATOM 309 N LYS A 27 0.661 -1.575 -8.341 1.00 0.00 N ATOM 310 CA LYS A 27 -0.172 -0.691 -9.196 1.00 0.00 C ATOM 311 C LYS A 27 0.213 0.761 -8.921 1.00 0.00 C ATOM 312 O LYS A 27 -0.157 1.663 -9.646 1.00 0.00 O ATOM 313 CB LYS A 27 -1.654 -0.901 -8.866 1.00 0.00 C ATOM 314 CG LYS A 27 -2.501 0.074 -9.683 1.00 0.00 C ATOM 315 CD LYS A 27 -2.339 -0.236 -11.171 1.00 0.00 C ATOM 316 CE LYS A 27 -2.539 -1.735 -11.407 1.00 0.00 C ATOM 317 NZ LYS A 27 -2.565 -2.010 -12.872 1.00 0.00 N ATOM 0 H LYS A 27 0.266 -1.793 -7.426 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.005 -0.928 -10.247 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.945 -1.927 -9.089 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.826 -0.745 -7.801 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.549 -0.008 -9.395 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.194 1.100 -9.478 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.063 0.334 -11.753 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.349 0.067 -11.510 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.734 -2.299 -10.935 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.471 -2.065 -10.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.701 -3.029 -13.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.347 -1.483 -13.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.665 -1.710 -13.298 1.00 0.00 H new ATOM 331 N VAL A 28 0.942 0.996 -7.863 1.00 0.00 N ATOM 332 CA VAL A 28 1.337 2.393 -7.527 1.00 0.00 C ATOM 333 C VAL A 28 2.863 2.504 -7.347 1.00 0.00 C ATOM 334 O VAL A 28 3.374 3.551 -6.998 1.00 0.00 O ATOM 335 CB VAL A 28 0.636 2.795 -6.234 1.00 0.00 C ATOM 336 CG1 VAL A 28 -0.881 2.787 -6.444 1.00 0.00 C ATOM 337 CG2 VAL A 28 1.003 1.802 -5.140 1.00 0.00 C ATOM 0 H VAL A 28 1.280 0.282 -7.218 1.00 0.00 H new ATOM 0 HA VAL A 28 1.044 3.056 -8.341 1.00 0.00 H new ATOM 0 HB VAL A 28 0.951 3.797 -5.944 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.378 3.075 -5.518 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.143 3.494 -7.231 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.203 1.787 -6.733 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.505 2.083 -4.212 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.684 0.802 -5.434 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.083 1.809 -4.989 1.00 0.00 H new ATOM 347 N LYS A 29 3.597 1.445 -7.582 1.00 0.00 N ATOM 348 CA LYS A 29 5.080 1.505 -7.429 1.00 0.00 C ATOM 349 C LYS A 29 5.677 2.645 -8.271 1.00 0.00 C ATOM 350 O LYS A 29 6.536 3.357 -7.791 1.00 0.00 O ATOM 351 CB LYS A 29 5.687 0.174 -7.875 1.00 0.00 C ATOM 352 CG LYS A 29 7.209 0.312 -7.972 1.00 0.00 C ATOM 353 CD LYS A 29 7.848 -1.076 -8.027 1.00 0.00 C ATOM 354 CE LYS A 29 7.660 -1.667 -9.425 1.00 0.00 C ATOM 355 NZ LYS A 29 8.993 -1.996 -10.007 1.00 0.00 N ATOM 0 H LYS A 29 3.230 0.539 -7.874 1.00 0.00 H new ATOM 0 HA LYS A 29 5.312 1.693 -6.381 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.427 -0.612 -7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.276 -0.120 -8.841 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.476 0.882 -8.862 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.590 0.865 -7.113 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.909 -1.009 -7.788 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.393 -1.727 -7.281 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.042 -2.564 -9.373 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.137 -0.956 -10.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.867 -2.398 -10.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.567 -1.131 -10.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.476 -2.689 -9.400 1.00 0.00 H new ATOM 369 N PRO A 30 5.226 2.799 -9.500 1.00 0.00 N ATOM 370 CA PRO A 30 5.742 3.863 -10.379 1.00 0.00 C ATOM 371 C PRO A 30 5.214 5.216 -9.910 1.00 0.00 C ATOM 372 O PRO A 30 5.760 6.256 -10.221 1.00 0.00 O ATOM 373 CB PRO A 30 5.221 3.483 -11.767 1.00 0.00 C ATOM 374 CG PRO A 30 4.010 2.553 -11.538 1.00 0.00 C ATOM 375 CD PRO A 30 4.171 1.965 -10.121 1.00 0.00 C ATOM 0 HA PRO A 30 6.828 3.951 -10.376 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.929 4.370 -12.328 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.994 2.979 -12.347 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.075 3.106 -11.625 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.982 1.761 -12.286 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.239 2.019 -9.559 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.462 0.915 -10.156 1.00 0.00 H new ATOM 383 N GLN A 31 4.168 5.201 -9.134 1.00 0.00 N ATOM 384 CA GLN A 31 3.609 6.472 -8.599 1.00 0.00 C ATOM 385 C GLN A 31 4.257 6.748 -7.242 1.00 0.00 C ATOM 386 O GLN A 31 4.118 7.816 -6.678 1.00 0.00 O ATOM 387 CB GLN A 31 2.096 6.327 -8.417 1.00 0.00 C ATOM 388 CG GLN A 31 1.446 6.078 -9.779 1.00 0.00 C ATOM 389 CD GLN A 31 -0.075 6.155 -9.643 1.00 0.00 C ATOM 390 OE1 GLN A 31 -0.640 5.741 -8.544 1.00 0.00 O flip ATOM 391 NE2 GLN A 31 -0.755 6.598 -10.548 1.00 0.00 N flip ATOM 0 H GLN A 31 3.673 4.357 -8.845 1.00 0.00 H new ATOM 0 HA GLN A 31 3.810 7.291 -9.289 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.877 5.501 -7.740 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.684 7.229 -7.964 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.795 6.817 -10.500 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.738 5.099 -10.159 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.312 6.922 -11.408 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.769 6.646 -10.448 1.00 0.00 H new ATOM 400 N LEU A 32 4.961 5.781 -6.713 1.00 0.00 N ATOM 401 CA LEU A 32 5.618 5.961 -5.393 1.00 0.00 C ATOM 402 C LEU A 32 7.046 6.476 -5.586 1.00 0.00 C ATOM 403 O LEU A 32 7.560 7.224 -4.778 1.00 0.00 O ATOM 404 CB LEU A 32 5.657 4.615 -4.674 1.00 0.00 C ATOM 405 CG LEU A 32 4.453 4.513 -3.744 1.00 0.00 C ATOM 406 CD1 LEU A 32 3.880 3.104 -3.815 1.00 0.00 C ATOM 407 CD2 LEU A 32 4.886 4.813 -2.309 1.00 0.00 C ATOM 0 H LEU A 32 5.107 4.869 -7.146 1.00 0.00 H new ATOM 0 HA LEU A 32 5.057 6.685 -4.802 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.643 3.801 -5.399 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.582 4.519 -4.105 1.00 0.00 H new ATOM 0 HG LEU A 32 3.695 5.234 -4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.019 3.028 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.570 2.888 -4.838 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.640 2.386 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.024 4.740 -1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.644 4.093 -2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.299 5.820 -2.257 1.00 0.00 H new ATOM 419 N GLU A 33 7.696 6.076 -6.645 1.00 0.00 N ATOM 420 CA GLU A 33 9.095 6.537 -6.880 1.00 0.00 C ATOM 421 C GLU A 33 9.086 7.922 -7.535 1.00 0.00 C ATOM 422 O GLU A 33 10.063 8.643 -7.491 1.00 0.00 O ATOM 423 CB GLU A 33 9.814 5.541 -7.794 1.00 0.00 C ATOM 424 CG GLU A 33 8.931 5.214 -9.000 1.00 0.00 C ATOM 425 CD GLU A 33 9.813 4.791 -10.176 1.00 0.00 C ATOM 426 OE1 GLU A 33 10.281 3.664 -10.165 1.00 0.00 O ATOM 427 OE2 GLU A 33 10.010 5.603 -11.066 1.00 0.00 O ATOM 0 H GLU A 33 7.320 5.450 -7.357 1.00 0.00 H new ATOM 0 HA GLU A 33 9.617 6.598 -5.925 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.763 5.960 -8.129 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.045 4.629 -7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.234 4.415 -8.748 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.334 6.084 -9.274 1.00 0.00 H new ATOM 434 N GLU A 34 7.995 8.304 -8.141 1.00 0.00 N ATOM 435 CA GLU A 34 7.938 9.644 -8.791 1.00 0.00 C ATOM 436 C GLU A 34 7.467 10.685 -7.772 1.00 0.00 C ATOM 437 O GLU A 34 8.029 11.757 -7.659 1.00 0.00 O ATOM 438 CB GLU A 34 6.959 9.605 -9.967 1.00 0.00 C ATOM 439 CG GLU A 34 7.738 9.456 -11.277 1.00 0.00 C ATOM 440 CD GLU A 34 6.759 9.407 -12.452 1.00 0.00 C ATOM 441 OE1 GLU A 34 6.193 10.441 -12.770 1.00 0.00 O ATOM 442 OE2 GLU A 34 6.592 8.338 -13.015 1.00 0.00 O ATOM 0 H GLU A 34 7.143 7.748 -8.214 1.00 0.00 H new ATOM 0 HA GLU A 34 8.930 9.911 -9.155 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.265 8.773 -9.848 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.363 10.517 -9.988 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.427 10.291 -11.399 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.339 8.547 -11.253 1.00 0.00 H new ATOM 449 N LYS A 35 6.438 10.377 -7.030 1.00 0.00 N ATOM 450 CA LYS A 35 5.926 11.347 -6.018 1.00 0.00 C ATOM 451 C LYS A 35 6.958 11.524 -4.902 1.00 0.00 C ATOM 452 O LYS A 35 7.176 12.615 -4.414 1.00 0.00 O ATOM 453 CB LYS A 35 4.623 10.813 -5.419 1.00 0.00 C ATOM 454 CG LYS A 35 3.583 10.650 -6.528 1.00 0.00 C ATOM 455 CD LYS A 35 3.182 12.028 -7.059 1.00 0.00 C ATOM 456 CE LYS A 35 2.105 11.867 -8.134 1.00 0.00 C ATOM 457 NZ LYS A 35 2.182 13.008 -9.090 1.00 0.00 N ATOM 0 H LYS A 35 5.929 9.495 -7.080 1.00 0.00 H new ATOM 0 HA LYS A 35 5.745 12.308 -6.500 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.801 9.856 -4.929 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.253 11.498 -4.656 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.990 10.042 -7.336 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.707 10.127 -6.145 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.808 12.649 -6.245 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.052 12.537 -7.474 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.243 10.925 -8.664 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.118 11.831 -7.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.450 12.899 -9.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.030 13.901 -8.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.120 13.022 -9.539 1.00 0.00 H new ATOM 471 N THR A 36 7.588 10.460 -4.488 1.00 0.00 N ATOM 472 CA THR A 36 8.593 10.560 -3.404 1.00 0.00 C ATOM 473 C THR A 36 9.937 11.006 -3.995 1.00 0.00 C ATOM 474 O THR A 36 10.703 11.691 -3.351 1.00 0.00 O ATOM 475 CB THR A 36 8.733 9.182 -2.755 1.00 0.00 C ATOM 476 OG1 THR A 36 7.644 8.967 -1.871 1.00 0.00 O ATOM 477 CG2 THR A 36 10.038 9.106 -1.979 1.00 0.00 C ATOM 0 H THR A 36 7.446 9.521 -4.859 1.00 0.00 H new ATOM 0 HA THR A 36 8.281 11.291 -2.657 1.00 0.00 H new ATOM 0 HB THR A 36 8.734 8.417 -3.531 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.884 9.521 -2.147 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.131 8.122 -1.519 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.875 9.270 -2.658 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.045 9.871 -1.203 1.00 0.00 H new ATOM 485 N ASN A 37 10.216 10.612 -5.215 1.00 0.00 N ATOM 486 CA ASN A 37 11.502 10.988 -5.883 1.00 0.00 C ATOM 487 C ASN A 37 12.579 9.942 -5.560 1.00 0.00 C ATOM 488 O ASN A 37 13.760 10.228 -5.574 1.00 0.00 O ATOM 489 CB ASN A 37 11.948 12.400 -5.438 1.00 0.00 C ATOM 490 CG ASN A 37 12.984 12.335 -4.301 1.00 0.00 C ATOM 491 OD1 ASN A 37 12.997 11.402 -3.522 1.00 0.00 O ATOM 492 ND2 ASN A 37 13.856 13.299 -4.173 1.00 0.00 N ATOM 0 H ASN A 37 9.596 10.036 -5.785 1.00 0.00 H new ATOM 0 HA ASN A 37 11.352 11.010 -6.962 1.00 0.00 H new ATOM 0 HB2 ASN A 37 12.373 12.933 -6.289 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.079 12.969 -5.107 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.545 13.267 -3.421 1.00 0.00 H new ATOM 0 HD22 ASN A 37 13.848 14.084 -4.825 1.00 0.00 H new ATOM 499 N GLU A 38 12.178 8.733 -5.273 1.00 0.00 N ATOM 500 CA GLU A 38 13.174 7.667 -4.953 1.00 0.00 C ATOM 501 C GLU A 38 13.263 6.684 -6.121 1.00 0.00 C ATOM 502 O GLU A 38 12.601 6.843 -7.128 1.00 0.00 O ATOM 503 CB GLU A 38 12.729 6.919 -3.694 1.00 0.00 C ATOM 504 CG GLU A 38 13.770 7.104 -2.589 1.00 0.00 C ATOM 505 CD GLU A 38 14.593 5.821 -2.448 1.00 0.00 C ATOM 506 OE1 GLU A 38 14.126 4.913 -1.782 1.00 0.00 O ATOM 507 OE2 GLU A 38 15.673 5.769 -3.012 1.00 0.00 O ATOM 0 H GLU A 38 11.203 8.436 -5.246 1.00 0.00 H new ATOM 0 HA GLU A 38 14.151 8.121 -4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.761 7.292 -3.361 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.603 5.859 -3.915 1.00 0.00 H new ATOM 0 HG2 GLU A 38 14.423 7.944 -2.826 1.00 0.00 H new ATOM 0 HG3 GLU A 38 13.278 7.339 -1.645 1.00 0.00 H new ATOM 514 N THR A 39 14.075 5.669 -6.000 1.00 0.00 N ATOM 515 CA THR A 39 14.198 4.683 -7.112 1.00 0.00 C ATOM 516 C THR A 39 13.307 3.480 -6.832 1.00 0.00 C ATOM 517 O THR A 39 12.845 2.808 -7.731 1.00 0.00 O ATOM 518 CB THR A 39 15.654 4.229 -7.243 1.00 0.00 C ATOM 519 OG1 THR A 39 16.495 5.368 -7.350 1.00 0.00 O ATOM 520 CG2 THR A 39 15.807 3.358 -8.491 1.00 0.00 C ATOM 0 H THR A 39 14.656 5.480 -5.183 1.00 0.00 H new ATOM 0 HA THR A 39 13.885 5.153 -8.044 1.00 0.00 H new ATOM 0 HB THR A 39 15.937 3.651 -6.363 1.00 0.00 H new ATOM 0 HG1 THR A 39 17.428 5.079 -7.432 1.00 0.00 H new ATOM 0 HG21 THR A 39 16.844 3.035 -8.584 1.00 0.00 H new ATOM 0 HG22 THR A 39 15.161 2.484 -8.406 1.00 0.00 H new ATOM 0 HG23 THR A 39 15.526 3.933 -9.373 1.00 0.00 H new ATOM 528 N TYR A 40 13.041 3.241 -5.589 1.00 0.00 N ATOM 529 CA TYR A 40 12.158 2.113 -5.193 1.00 0.00 C ATOM 530 C TYR A 40 12.394 0.892 -6.087 1.00 0.00 C ATOM 531 O TYR A 40 13.379 0.798 -6.793 1.00 0.00 O ATOM 532 CB TYR A 40 10.719 2.589 -5.326 1.00 0.00 C ATOM 533 CG TYR A 40 10.393 3.602 -4.245 1.00 0.00 C ATOM 534 CD1 TYR A 40 11.333 3.924 -3.253 1.00 0.00 C ATOM 535 CD2 TYR A 40 9.138 4.222 -4.240 1.00 0.00 C ATOM 536 CE1 TYR A 40 11.013 4.864 -2.264 1.00 0.00 C ATOM 537 CE2 TYR A 40 8.821 5.161 -3.253 1.00 0.00 C ATOM 538 CZ TYR A 40 9.757 5.482 -2.265 1.00 0.00 C ATOM 539 OH TYR A 40 9.442 6.407 -1.292 1.00 0.00 O ATOM 0 H TYR A 40 13.404 3.790 -4.810 1.00 0.00 H new ATOM 0 HA TYR A 40 12.374 1.813 -4.168 1.00 0.00 H new ATOM 0 HB2 TYR A 40 10.567 3.035 -6.309 1.00 0.00 H new ATOM 0 HB3 TYR A 40 10.040 1.739 -5.253 1.00 0.00 H new ATOM 0 HD1 TYR A 40 12.302 3.448 -3.252 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.412 3.975 -5.001 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.736 5.112 -1.501 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.852 5.639 -3.254 1.00 0.00 H new ATOM 0 HH TYR A 40 8.564 6.798 -1.485 1.00 0.00 H new ATOM 549 N GLY A 43 11.495 -0.052 -6.045 1.00 0.00 N ATOM 550 CA GLY A 43 11.650 -1.279 -6.881 1.00 0.00 C ATOM 551 C GLY A 43 10.515 -2.263 -6.572 1.00 0.00 C ATOM 552 O GLY A 43 9.529 -1.909 -5.954 1.00 0.00 O ATOM 0 H GLY A 43 10.656 -0.028 -5.466 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.637 -1.014 -7.938 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.614 -1.747 -6.682 1.00 0.00 H new ATOM 556 N LYS A 44 10.648 -3.496 -6.993 1.00 0.00 N ATOM 557 CA LYS A 44 9.584 -4.505 -6.721 1.00 0.00 C ATOM 558 C LYS A 44 9.098 -4.342 -5.288 1.00 0.00 C ATOM 559 O LYS A 44 9.881 -4.189 -4.371 1.00 0.00 O ATOM 560 CB LYS A 44 10.156 -5.914 -6.901 1.00 0.00 C ATOM 561 CG LYS A 44 9.625 -6.521 -8.203 1.00 0.00 C ATOM 562 CD LYS A 44 9.823 -8.039 -8.184 1.00 0.00 C ATOM 563 CE LYS A 44 8.810 -8.696 -9.126 1.00 0.00 C ATOM 564 NZ LYS A 44 9.196 -10.117 -9.360 1.00 0.00 N ATOM 0 H LYS A 44 11.451 -3.846 -7.515 1.00 0.00 H new ATOM 0 HA LYS A 44 8.755 -4.358 -7.414 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.245 -5.875 -6.924 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.877 -6.542 -6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.568 -6.284 -8.321 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.146 -6.087 -9.057 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.838 -8.288 -8.493 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.695 -8.421 -7.171 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.810 -8.646 -8.694 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.775 -8.157 -10.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.508 -10.563 -10.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.142 -10.153 -9.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.207 -10.627 -8.454 1.00 0.00 H new ATOM 578 N LEU A 45 7.814 -4.352 -5.081 1.00 0.00 N ATOM 579 CA LEU A 45 7.294 -4.176 -3.713 1.00 0.00 C ATOM 580 C LEU A 45 6.652 -5.482 -3.239 1.00 0.00 C ATOM 581 O LEU A 45 5.457 -5.666 -3.296 1.00 0.00 O ATOM 582 CB LEU A 45 6.300 -3.028 -3.760 1.00 0.00 C ATOM 583 CG LEU A 45 6.992 -1.879 -4.498 1.00 0.00 C ATOM 584 CD1 LEU A 45 6.074 -0.651 -4.591 1.00 0.00 C ATOM 585 CD2 LEU A 45 8.281 -1.534 -3.740 1.00 0.00 C ATOM 0 H LEU A 45 7.106 -4.475 -5.805 1.00 0.00 H new ATOM 0 HA LEU A 45 8.084 -3.938 -3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.388 -3.326 -4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.012 -2.724 -2.754 1.00 0.00 H new ATOM 0 HG LEU A 45 7.226 -2.184 -5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.590 0.150 -5.120 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.165 -0.916 -5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.814 -0.314 -3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.793 -0.716 -4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.035 -1.232 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.932 -2.408 -3.712 1.00 0.00 H new ATOM 597 N GLU A 46 7.455 -6.400 -2.775 1.00 0.00 N ATOM 598 CA GLU A 46 6.917 -7.700 -2.308 1.00 0.00 C ATOM 599 C GLU A 46 6.011 -7.474 -1.097 1.00 0.00 C ATOM 600 O GLU A 46 6.443 -7.537 0.034 1.00 0.00 O ATOM 601 CB GLU A 46 8.091 -8.600 -1.928 1.00 0.00 C ATOM 602 CG GLU A 46 7.571 -9.994 -1.631 1.00 0.00 C ATOM 603 CD GLU A 46 8.522 -11.037 -2.222 1.00 0.00 C ATOM 604 OE1 GLU A 46 9.676 -10.703 -2.441 1.00 0.00 O ATOM 605 OE2 GLU A 46 8.082 -12.153 -2.445 1.00 0.00 O ATOM 0 H GLU A 46 8.467 -6.300 -2.701 1.00 0.00 H new ATOM 0 HA GLU A 46 6.331 -8.173 -3.096 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.817 -8.634 -2.740 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.607 -8.197 -1.056 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.482 -10.138 -0.554 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.573 -10.118 -2.052 1.00 0.00 H new ATOM 612 N ALA A 47 4.758 -7.200 -1.323 1.00 0.00 N ATOM 613 CA ALA A 47 3.836 -6.949 -0.181 1.00 0.00 C ATOM 614 C ALA A 47 4.052 -7.987 0.913 1.00 0.00 C ATOM 615 O ALA A 47 4.127 -9.176 0.674 1.00 0.00 O ATOM 616 CB ALA A 47 2.396 -6.992 -0.668 1.00 0.00 C ATOM 0 H ALA A 47 4.332 -7.139 -2.248 1.00 0.00 H new ATOM 0 HA ALA A 47 4.045 -5.963 0.233 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.723 -6.808 0.169 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.246 -6.226 -1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.185 -7.973 -1.094 1.00 0.00 H new ATOM 622 N VAL A 48 4.153 -7.516 2.118 1.00 0.00 N ATOM 623 CA VAL A 48 4.368 -8.411 3.281 1.00 0.00 C ATOM 624 C VAL A 48 3.107 -8.406 4.120 1.00 0.00 C ATOM 625 O VAL A 48 2.622 -9.432 4.555 1.00 0.00 O ATOM 626 CB VAL A 48 5.550 -7.854 4.094 1.00 0.00 C ATOM 627 CG1 VAL A 48 5.324 -8.043 5.602 1.00 0.00 C ATOM 628 CG2 VAL A 48 6.831 -8.570 3.678 1.00 0.00 C ATOM 0 H VAL A 48 4.094 -6.525 2.351 1.00 0.00 H new ATOM 0 HA VAL A 48 4.589 -9.431 2.967 1.00 0.00 H new ATOM 0 HB VAL A 48 5.634 -6.786 3.892 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.175 -7.640 6.151 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.417 -7.518 5.903 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.219 -9.105 5.824 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.670 -8.177 4.252 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.729 -9.638 3.869 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.011 -8.407 2.615 1.00 0.00 H new ATOM 638 N GLN A 49 2.574 -7.249 4.349 1.00 0.00 N ATOM 639 CA GLN A 49 1.338 -7.162 5.164 1.00 0.00 C ATOM 640 C GLN A 49 0.521 -5.976 4.688 1.00 0.00 C ATOM 641 O GLN A 49 0.955 -5.210 3.854 1.00 0.00 O ATOM 642 CB GLN A 49 1.702 -6.996 6.645 1.00 0.00 C ATOM 643 CG GLN A 49 2.366 -5.638 6.872 1.00 0.00 C ATOM 644 CD GLN A 49 1.902 -5.062 8.212 1.00 0.00 C ATOM 645 OE1 GLN A 49 0.945 -4.315 8.267 1.00 0.00 O ATOM 646 NE2 GLN A 49 2.544 -5.379 9.304 1.00 0.00 N ATOM 0 H GLN A 49 2.938 -6.359 4.009 1.00 0.00 H new ATOM 0 HA GLN A 49 0.754 -8.075 5.052 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.806 -7.079 7.260 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.375 -7.795 6.954 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.451 -5.746 6.866 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.109 -4.955 6.062 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.347 -6.006 9.260 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.242 -5.000 10.201 1.00 0.00 H new ATOM 655 N TYR A 50 -0.660 -5.816 5.191 1.00 0.00 N ATOM 656 CA TYR A 50 -1.478 -4.679 4.747 1.00 0.00 C ATOM 657 C TYR A 50 -2.649 -4.458 5.692 1.00 0.00 C ATOM 658 O TYR A 50 -3.270 -5.386 6.176 1.00 0.00 O ATOM 659 CB TYR A 50 -1.997 -4.948 3.357 1.00 0.00 C ATOM 660 CG TYR A 50 -3.100 -5.980 3.394 1.00 0.00 C ATOM 661 CD1 TYR A 50 -2.785 -7.342 3.472 1.00 0.00 C ATOM 662 CD2 TYR A 50 -4.438 -5.572 3.349 1.00 0.00 C ATOM 663 CE1 TYR A 50 -3.809 -8.296 3.503 1.00 0.00 C ATOM 664 CE2 TYR A 50 -5.461 -6.526 3.380 1.00 0.00 C ATOM 665 CZ TYR A 50 -5.148 -7.888 3.457 1.00 0.00 C ATOM 666 OH TYR A 50 -6.156 -8.828 3.487 1.00 0.00 O ATOM 0 H TYR A 50 -1.090 -6.423 5.888 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.858 -3.782 4.745 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.371 -4.023 2.917 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.184 -5.298 2.721 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.752 -7.656 3.508 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.681 -4.521 3.290 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.566 -9.347 3.562 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.493 -6.211 3.344 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.025 -8.377 3.449 1.00 0.00 H new ATOM 676 N LYS A 51 -2.955 -3.226 5.944 1.00 0.00 N ATOM 677 CA LYS A 51 -4.096 -2.903 6.846 1.00 0.00 C ATOM 678 C LYS A 51 -5.163 -2.126 6.060 1.00 0.00 C ATOM 679 O LYS A 51 -4.859 -1.231 5.295 1.00 0.00 O ATOM 680 CB LYS A 51 -3.591 -2.069 8.024 1.00 0.00 C ATOM 681 CG LYS A 51 -2.863 -2.985 9.012 1.00 0.00 C ATOM 682 CD LYS A 51 -1.953 -2.154 9.916 1.00 0.00 C ATOM 683 CE LYS A 51 -1.955 -2.746 11.327 1.00 0.00 C ATOM 684 NZ LYS A 51 -0.566 -3.136 11.700 1.00 0.00 N ATOM 0 H LYS A 51 -2.463 -2.417 5.564 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.539 -3.823 7.228 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.918 -1.288 7.670 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.426 -1.572 8.518 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.587 -3.533 9.615 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.274 -3.725 8.470 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.939 -2.142 9.517 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.297 -1.120 9.944 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.344 -2.018 12.039 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.612 -3.615 11.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.588 -3.718 12.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.139 -3.682 10.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.000 -2.281 11.874 1.00 0.00 H new ATOM 698 N THR A 52 -6.412 -2.474 6.236 1.00 0.00 N ATOM 699 CA THR A 52 -7.512 -1.774 5.498 1.00 0.00 C ATOM 700 C THR A 52 -7.789 -0.413 6.137 1.00 0.00 C ATOM 701 O THR A 52 -7.110 0.010 7.052 1.00 0.00 O ATOM 702 CB THR A 52 -8.780 -2.628 5.570 1.00 0.00 C ATOM 703 OG1 THR A 52 -9.226 -2.690 6.917 1.00 0.00 O ATOM 704 CG2 THR A 52 -8.479 -4.040 5.070 1.00 0.00 C ATOM 0 H THR A 52 -6.721 -3.217 6.863 1.00 0.00 H new ATOM 0 HA THR A 52 -7.213 -1.628 4.460 1.00 0.00 H new ATOM 0 HB THR A 52 -9.554 -2.182 4.945 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.039 -3.235 6.968 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.384 -4.645 5.123 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.133 -3.994 4.038 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.705 -4.489 5.693 1.00 0.00 H new ATOM 712 N GLN A 53 -8.787 0.272 5.650 1.00 0.00 N ATOM 713 CA GLN A 53 -9.133 1.611 6.207 1.00 0.00 C ATOM 714 C GLN A 53 -10.582 1.933 5.848 1.00 0.00 C ATOM 715 O GLN A 53 -11.077 1.513 4.825 1.00 0.00 O ATOM 716 CB GLN A 53 -8.234 2.669 5.571 1.00 0.00 C ATOM 717 CG GLN A 53 -7.253 3.231 6.598 1.00 0.00 C ATOM 718 CD GLN A 53 -8.016 4.047 7.645 1.00 0.00 C ATOM 719 OE1 GLN A 53 -8.522 3.446 8.687 1.00 0.00 O flip ATOM 720 NE2 GLN A 53 -8.150 5.247 7.514 1.00 0.00 N flip ATOM 0 H GLN A 53 -9.383 -0.041 4.884 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.998 1.605 7.289 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.685 2.233 4.737 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.844 3.475 5.164 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.711 2.418 7.081 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.512 3.858 6.103 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.755 5.718 6.700 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.657 5.783 8.218 1.00 0.00 H new ATOM 729 N VAL A 54 -11.273 2.673 6.669 1.00 0.00 N ATOM 730 CA VAL A 54 -12.679 3.006 6.336 1.00 0.00 C ATOM 731 C VAL A 54 -12.882 4.527 6.320 1.00 0.00 C ATOM 732 O VAL A 54 -12.355 5.249 7.141 1.00 0.00 O ATOM 733 CB VAL A 54 -13.603 2.349 7.352 1.00 0.00 C ATOM 734 CG1 VAL A 54 -13.846 3.291 8.524 1.00 0.00 C ATOM 735 CG2 VAL A 54 -14.933 2.020 6.668 1.00 0.00 C ATOM 0 H VAL A 54 -10.926 3.057 7.548 1.00 0.00 H new ATOM 0 HA VAL A 54 -12.915 2.628 5.341 1.00 0.00 H new ATOM 0 HB VAL A 54 -13.142 1.436 7.729 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -14.508 2.812 9.245 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -12.896 3.527 9.004 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -14.308 4.210 8.163 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -15.604 1.549 7.386 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.387 2.938 6.295 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -14.755 1.339 5.836 1.00 0.00 H new ATOM 745 N VAL A 55 -13.659 5.004 5.389 1.00 0.00 N ATOM 746 CA VAL A 55 -13.933 6.466 5.293 1.00 0.00 C ATOM 747 C VAL A 55 -15.048 6.664 4.262 1.00 0.00 C ATOM 748 O VAL A 55 -16.201 6.382 4.523 1.00 0.00 O ATOM 749 CB VAL A 55 -12.664 7.199 4.845 1.00 0.00 C ATOM 750 CG1 VAL A 55 -11.805 7.531 6.067 1.00 0.00 C ATOM 751 CG2 VAL A 55 -11.865 6.303 3.896 1.00 0.00 C ATOM 0 H VAL A 55 -14.123 4.436 4.680 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.238 6.866 6.260 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.942 8.120 4.333 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.903 8.052 5.747 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.370 8.168 6.747 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -11.529 6.609 6.579 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.962 6.824 3.577 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.590 5.382 4.410 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.473 6.064 3.024 1.00 0.00 H new ATOM 761 N ALA A 56 -14.714 7.101 3.079 1.00 0.00 N ATOM 762 CA ALA A 56 -15.747 7.260 2.024 1.00 0.00 C ATOM 763 C ALA A 56 -15.619 6.049 1.105 1.00 0.00 C ATOM 764 O ALA A 56 -15.861 6.107 -0.085 1.00 0.00 O ATOM 765 CB ALA A 56 -15.481 8.541 1.241 1.00 0.00 C ATOM 0 H ALA A 56 -13.766 7.355 2.799 1.00 0.00 H new ATOM 0 HA ALA A 56 -16.748 7.324 2.450 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.239 8.658 0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -15.518 9.395 1.917 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.495 8.487 0.779 1.00 0.00 H new ATOM 771 N GLY A 57 -15.198 4.960 1.678 1.00 0.00 N ATOM 772 CA GLY A 57 -14.985 3.704 0.912 1.00 0.00 C ATOM 773 C GLY A 57 -14.032 2.850 1.729 1.00 0.00 C ATOM 774 O GLY A 57 -14.359 2.390 2.804 1.00 0.00 O ATOM 0 H GLY A 57 -14.987 4.886 2.673 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.929 3.184 0.751 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.567 3.917 -0.072 1.00 0.00 H new ATOM 778 N THR A 58 -12.845 2.666 1.252 1.00 0.00 N ATOM 779 CA THR A 58 -11.860 1.873 2.040 1.00 0.00 C ATOM 780 C THR A 58 -10.448 2.075 1.498 1.00 0.00 C ATOM 781 O THR A 58 -10.092 1.561 0.458 1.00 0.00 O ATOM 782 CB THR A 58 -12.200 0.385 1.991 1.00 0.00 C ATOM 783 OG1 THR A 58 -13.580 0.205 2.280 1.00 0.00 O ATOM 784 CG2 THR A 58 -11.350 -0.358 3.030 1.00 0.00 C ATOM 0 H THR A 58 -12.508 3.024 0.358 1.00 0.00 H new ATOM 0 HA THR A 58 -11.907 2.222 3.072 1.00 0.00 H new ATOM 0 HB THR A 58 -11.989 -0.011 0.998 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.856 0.846 2.968 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.587 -1.421 3.001 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.293 -0.216 2.804 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.565 0.035 4.024 1.00 0.00 H new ATOM 792 N ASN A 59 -9.630 2.797 2.212 1.00 0.00 N ATOM 793 CA ASN A 59 -8.247 3.007 1.770 1.00 0.00 C ATOM 794 C ASN A 59 -7.486 1.702 1.950 1.00 0.00 C ATOM 795 O ASN A 59 -8.053 0.683 2.286 1.00 0.00 O ATOM 796 CB ASN A 59 -7.626 4.073 2.660 1.00 0.00 C ATOM 797 CG ASN A 59 -8.245 5.436 2.365 1.00 0.00 C ATOM 798 OD1 ASN A 59 -8.606 6.199 3.361 1.00 0.00 O flip ATOM 799 ND2 ASN A 59 -8.399 5.810 1.222 1.00 0.00 N flip ATOM 0 H ASN A 59 -9.875 3.251 3.092 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.211 3.319 0.726 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.779 3.816 3.708 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.549 4.112 2.495 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.116 5.211 0.447 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.812 6.724 1.036 1.00 0.00 H new ATOM 806 N TYR A 60 -6.205 1.739 1.771 1.00 0.00 N ATOM 807 CA TYR A 60 -5.385 0.512 1.968 1.00 0.00 C ATOM 808 C TYR A 60 -4.101 0.903 2.674 1.00 0.00 C ATOM 809 O TYR A 60 -3.670 2.035 2.625 1.00 0.00 O ATOM 810 CB TYR A 60 -4.978 -0.133 0.634 1.00 0.00 C ATOM 811 CG TYR A 60 -6.180 -0.577 -0.155 1.00 0.00 C ATOM 812 CD1 TYR A 60 -7.316 -1.060 0.496 1.00 0.00 C ATOM 813 CD2 TYR A 60 -6.143 -0.515 -1.548 1.00 0.00 C ATOM 814 CE1 TYR A 60 -8.418 -1.479 -0.253 1.00 0.00 C ATOM 815 CE2 TYR A 60 -7.241 -0.935 -2.299 1.00 0.00 C ATOM 816 CZ TYR A 60 -8.383 -1.418 -1.650 1.00 0.00 C ATOM 817 OH TYR A 60 -9.473 -1.840 -2.383 1.00 0.00 O ATOM 0 H TYR A 60 -5.681 2.570 1.495 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.985 -0.196 2.540 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.399 0.579 0.046 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.331 -0.989 0.825 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.343 -1.110 1.575 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.261 -0.141 -2.047 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -9.300 -1.851 0.248 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.210 -0.888 -3.378 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.252 -1.921 -1.794 1.00 0.00 H new ATOM 827 N TYR A 61 -3.467 -0.050 3.269 1.00 0.00 N ATOM 828 CA TYR A 61 -2.169 0.186 3.940 1.00 0.00 C ATOM 829 C TYR A 61 -1.362 -1.057 3.641 1.00 0.00 C ATOM 830 O TYR A 61 -1.892 -2.146 3.651 1.00 0.00 O ATOM 831 CB TYR A 61 -2.362 0.364 5.451 1.00 0.00 C ATOM 832 CG TYR A 61 -2.967 1.722 5.737 1.00 0.00 C ATOM 833 CD1 TYR A 61 -2.607 2.835 4.964 1.00 0.00 C ATOM 834 CD2 TYR A 61 -3.887 1.870 6.783 1.00 0.00 C ATOM 835 CE1 TYR A 61 -3.169 4.089 5.234 1.00 0.00 C ATOM 836 CE2 TYR A 61 -4.447 3.125 7.052 1.00 0.00 C ATOM 837 CZ TYR A 61 -4.087 4.233 6.279 1.00 0.00 C ATOM 838 OH TYR A 61 -4.641 5.468 6.545 1.00 0.00 O ATOM 0 H TYR A 61 -3.801 -1.012 3.322 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.677 1.094 3.590 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -3.011 -0.422 5.839 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.404 0.268 5.963 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.895 2.725 4.159 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -4.165 1.016 7.382 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.893 4.945 4.635 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.158 3.237 7.857 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.927 6.117 6.717 1.00 0.00 H new ATOM 848 N ILE A 62 -0.122 -0.946 3.295 1.00 0.00 N ATOM 849 CA ILE A 62 0.593 -2.188 2.935 1.00 0.00 C ATOM 850 C ILE A 62 2.073 -2.061 3.239 1.00 0.00 C ATOM 851 O ILE A 62 2.765 -1.242 2.668 1.00 0.00 O ATOM 852 CB ILE A 62 0.434 -2.455 1.432 1.00 0.00 C ATOM 853 CG1 ILE A 62 -1.046 -2.452 1.007 1.00 0.00 C ATOM 854 CG2 ILE A 62 1.031 -3.825 1.121 1.00 0.00 C ATOM 855 CD1 ILE A 62 -1.157 -2.019 -0.459 1.00 0.00 C ATOM 0 H ILE A 62 0.415 -0.080 3.246 1.00 0.00 H new ATOM 0 HA ILE A 62 0.169 -3.006 3.518 1.00 0.00 H new ATOM 0 HB ILE A 62 0.946 -1.664 0.884 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.475 -3.446 1.137 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.616 -1.774 1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.928 -4.034 0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.087 -3.832 1.391 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.505 -4.589 1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.205 -2.017 -0.759 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.744 -1.017 -0.575 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.601 -2.715 -1.087 1.00 0.00 H new ATOM 867 N LYS A 63 2.585 -2.903 4.084 1.00 0.00 N ATOM 868 CA LYS A 63 4.036 -2.847 4.342 1.00 0.00 C ATOM 869 C LYS A 63 4.670 -3.716 3.260 1.00 0.00 C ATOM 870 O LYS A 63 4.715 -4.929 3.370 1.00 0.00 O ATOM 871 CB LYS A 63 4.356 -3.391 5.732 1.00 0.00 C ATOM 872 CG LYS A 63 5.829 -3.134 6.050 1.00 0.00 C ATOM 873 CD LYS A 63 6.049 -3.219 7.560 1.00 0.00 C ATOM 874 CE LYS A 63 5.853 -4.663 8.021 1.00 0.00 C ATOM 875 NZ LYS A 63 6.757 -5.557 7.244 1.00 0.00 N ATOM 0 H LYS A 63 2.068 -3.616 4.598 1.00 0.00 H new ATOM 0 HA LYS A 63 4.416 -1.826 4.314 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.722 -2.911 6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.144 -4.459 5.774 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.455 -3.866 5.539 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.125 -2.151 5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.053 -2.878 7.812 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.350 -2.562 8.078 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.067 -4.748 9.086 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.815 -4.964 7.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.805 -6.488 7.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.389 -5.668 6.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.709 -5.140 7.206 1.00 0.00 H new ATOM 889 N VAL A 64 5.088 -3.105 2.182 1.00 0.00 N ATOM 890 CA VAL A 64 5.649 -3.880 1.037 1.00 0.00 C ATOM 891 C VAL A 64 7.177 -3.844 1.052 1.00 0.00 C ATOM 892 O VAL A 64 7.772 -2.810 1.244 1.00 0.00 O ATOM 893 CB VAL A 64 5.177 -3.250 -0.272 1.00 0.00 C ATOM 894 CG1 VAL A 64 4.759 -4.347 -1.238 1.00 0.00 C ATOM 895 CG2 VAL A 64 3.989 -2.310 -0.030 1.00 0.00 C ATOM 0 H VAL A 64 5.064 -2.094 2.046 1.00 0.00 H new ATOM 0 HA VAL A 64 5.309 -4.912 1.123 1.00 0.00 H new ATOM 0 HB VAL A 64 5.999 -2.671 -0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.422 -3.899 -2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.608 -5.002 -1.435 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.947 -4.928 -0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.671 -1.874 -0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.163 -2.872 0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.287 -1.515 0.654 1.00 0.00 H new ATOM 905 N ARG A 65 7.828 -4.945 0.795 1.00 0.00 N ATOM 906 CA ARG A 65 9.314 -4.901 0.749 1.00 0.00 C ATOM 907 C ARG A 65 9.680 -4.072 -0.466 1.00 0.00 C ATOM 908 O ARG A 65 9.258 -4.351 -1.564 1.00 0.00 O ATOM 909 CB ARG A 65 9.908 -6.299 0.608 1.00 0.00 C ATOM 910 CG ARG A 65 9.073 -7.303 1.403 1.00 0.00 C ATOM 911 CD ARG A 65 9.994 -8.366 2.008 1.00 0.00 C ATOM 912 NE ARG A 65 9.833 -9.644 1.258 1.00 0.00 N ATOM 913 CZ ARG A 65 10.712 -10.601 1.396 1.00 0.00 C ATOM 914 NH1 ARG A 65 11.130 -10.938 2.586 1.00 0.00 N ATOM 915 NH2 ARG A 65 11.169 -11.226 0.344 1.00 0.00 N ATOM 0 H ARG A 65 7.405 -5.856 0.618 1.00 0.00 H new ATOM 0 HA ARG A 65 9.708 -4.474 1.672 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.936 -6.587 -0.443 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.937 -6.304 0.967 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.523 -6.791 2.193 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.334 -7.773 0.754 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.031 -8.033 1.963 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.753 -8.516 3.060 1.00 0.00 H new ATOM 0 HE ARG A 65 9.035 -9.772 0.636 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.770 -10.454 3.409 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.816 -11.685 2.693 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.840 -10.967 -0.586 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.855 -11.973 0.453 1.00 0.00 H new ATOM 929 N ALA A 66 10.431 -3.041 -0.260 1.00 0.00 N ATOM 930 CA ALA A 66 10.812 -2.128 -1.371 1.00 0.00 C ATOM 931 C ALA A 66 11.991 -2.686 -2.156 1.00 0.00 C ATOM 932 O ALA A 66 12.867 -1.964 -2.588 1.00 0.00 O ATOM 933 CB ALA A 66 11.198 -0.787 -0.771 1.00 0.00 C ATOM 0 H ALA A 66 10.809 -2.781 0.651 1.00 0.00 H new ATOM 0 HA ALA A 66 9.969 -2.022 -2.054 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.482 -0.100 -1.568 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.350 -0.376 -0.222 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.039 -0.921 -0.091 1.00 0.00 H new ATOM 939 N GLY A 67 12.000 -3.957 -2.364 1.00 0.00 N ATOM 940 CA GLY A 67 13.106 -4.575 -3.150 1.00 0.00 C ATOM 941 C GLY A 67 14.058 -5.366 -2.243 1.00 0.00 C ATOM 942 O GLY A 67 13.649 -6.234 -1.499 1.00 0.00 O ATOM 0 H GLY A 67 11.291 -4.607 -2.027 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.690 -5.237 -3.910 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.661 -3.797 -3.674 1.00 0.00 H new ATOM 946 N ASP A 68 15.334 -5.090 -2.342 1.00 0.00 N ATOM 947 CA ASP A 68 16.348 -5.830 -1.542 1.00 0.00 C ATOM 948 C ASP A 68 16.247 -5.517 -0.042 1.00 0.00 C ATOM 949 O ASP A 68 17.026 -4.751 0.490 1.00 0.00 O ATOM 950 CB ASP A 68 17.744 -5.445 -2.036 1.00 0.00 C ATOM 951 CG ASP A 68 18.072 -6.228 -3.308 1.00 0.00 C ATOM 952 OD1 ASP A 68 17.408 -6.004 -4.306 1.00 0.00 O ATOM 953 OD2 ASP A 68 18.984 -7.037 -3.263 1.00 0.00 O ATOM 0 H ASP A 68 15.719 -4.371 -2.954 1.00 0.00 H new ATOM 0 HA ASP A 68 16.163 -6.896 -1.672 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.788 -4.374 -2.235 1.00 0.00 H new ATOM 0 HB3 ASP A 68 18.485 -5.657 -1.265 1.00 0.00 H new ATOM 958 N ASN A 92 15.323 -6.129 0.650 1.00 0.00 N ATOM 959 CA ASN A 92 15.205 -5.896 2.125 1.00 0.00 C ATOM 960 C ASN A 92 14.665 -4.493 2.437 1.00 0.00 C ATOM 961 O ASN A 92 14.352 -4.190 3.571 1.00 0.00 O ATOM 962 CB ASN A 92 16.585 -6.057 2.768 1.00 0.00 C ATOM 963 CG ASN A 92 17.272 -7.307 2.210 1.00 0.00 C ATOM 964 OD1 ASN A 92 18.325 -7.219 1.613 1.00 0.00 O ATOM 965 ND2 ASN A 92 16.716 -8.476 2.382 1.00 0.00 N ATOM 0 H ASN A 92 14.643 -6.781 0.260 1.00 0.00 H new ATOM 0 HA ASN A 92 14.503 -6.626 2.529 1.00 0.00 H new ATOM 0 HB2 ASN A 92 17.195 -5.176 2.569 1.00 0.00 H new ATOM 0 HB3 ASN A 92 16.485 -6.138 3.850 1.00 0.00 H new ATOM 0 HD21 ASN A 92 17.167 -9.314 2.015 1.00 0.00 H new ATOM 0 HD22 ASN A 92 15.831 -8.551 2.884 1.00 0.00 H new ATOM 972 N LYS A 93 14.542 -3.636 1.462 1.00 0.00 N ATOM 973 CA LYS A 93 14.012 -2.273 1.749 1.00 0.00 C ATOM 974 C LYS A 93 12.532 -2.397 2.103 1.00 0.00 C ATOM 975 O LYS A 93 11.985 -3.482 2.118 1.00 0.00 O ATOM 976 CB LYS A 93 14.172 -1.391 0.509 1.00 0.00 C ATOM 977 CG LYS A 93 15.571 -0.768 0.499 1.00 0.00 C ATOM 978 CD LYS A 93 15.565 0.485 -0.379 1.00 0.00 C ATOM 979 CE LYS A 93 16.115 1.671 0.417 1.00 0.00 C ATOM 980 NZ LYS A 93 14.993 2.570 0.810 1.00 0.00 N ATOM 0 H LYS A 93 14.783 -3.817 0.488 1.00 0.00 H new ATOM 0 HA LYS A 93 14.559 -1.823 2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.020 -1.984 -0.393 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.414 -0.608 0.507 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.874 -0.512 1.514 1.00 0.00 H new ATOM 0 HG3 LYS A 93 16.298 -1.487 0.121 1.00 0.00 H new ATOM 0 HD2 LYS A 93 16.170 0.320 -1.270 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.551 0.700 -0.717 1.00 0.00 H new ATOM 0 HE2 LYS A 93 16.638 1.315 1.305 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.841 2.219 -0.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.367 3.376 1.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.513 2.919 -0.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.316 2.043 1.398 1.00 0.00 H new ATOM 994 N TYR A 94 11.872 -1.309 2.386 1.00 0.00 N ATOM 995 CA TYR A 94 10.429 -1.404 2.722 1.00 0.00 C ATOM 996 C TYR A 94 9.730 -0.119 2.312 1.00 0.00 C ATOM 997 O TYR A 94 10.338 0.925 2.191 1.00 0.00 O ATOM 998 CB TYR A 94 10.253 -1.656 4.215 1.00 0.00 C ATOM 999 CG TYR A 94 10.175 -3.143 4.420 1.00 0.00 C ATOM 1000 CD1 TYR A 94 8.951 -3.802 4.276 1.00 0.00 C ATOM 1001 CD2 TYR A 94 11.331 -3.867 4.724 1.00 0.00 C ATOM 1002 CE1 TYR A 94 8.879 -5.187 4.441 1.00 0.00 C ATOM 1003 CE2 TYR A 94 11.263 -5.254 4.886 1.00 0.00 C ATOM 1004 CZ TYR A 94 10.035 -5.916 4.745 1.00 0.00 C ATOM 1005 OH TYR A 94 9.967 -7.284 4.904 1.00 0.00 O ATOM 0 H TYR A 94 12.266 -0.368 2.399 1.00 0.00 H new ATOM 0 HA TYR A 94 9.985 -2.239 2.180 1.00 0.00 H new ATOM 0 HB2 TYR A 94 11.088 -1.236 4.775 1.00 0.00 H new ATOM 0 HB3 TYR A 94 9.348 -1.171 4.581 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.060 -3.240 4.037 1.00 0.00 H new ATOM 0 HD2 TYR A 94 12.276 -3.356 4.834 1.00 0.00 H new ATOM 0 HE1 TYR A 94 7.932 -5.695 4.334 1.00 0.00 H new ATOM 0 HE2 TYR A 94 12.156 -5.815 5.120 1.00 0.00 H new ATOM 0 HH TYR A 94 10.859 -7.634 5.111 1.00 0.00 H new ATOM 1015 N MET A 95 8.455 -0.190 2.082 1.00 0.00 N ATOM 1016 CA MET A 95 7.713 1.017 1.665 1.00 0.00 C ATOM 1017 C MET A 95 6.277 0.901 2.146 1.00 0.00 C ATOM 1018 O MET A 95 5.506 0.092 1.660 1.00 0.00 O ATOM 1019 CB MET A 95 7.731 1.129 0.138 1.00 0.00 C ATOM 1020 CG MET A 95 8.332 2.475 -0.268 1.00 0.00 C ATOM 1021 SD MET A 95 9.151 2.310 -1.873 1.00 0.00 S ATOM 1022 CE MET A 95 7.654 2.258 -2.889 1.00 0.00 C ATOM 0 H MET A 95 7.894 -1.038 2.166 1.00 0.00 H new ATOM 0 HA MET A 95 8.179 1.903 2.095 1.00 0.00 H new ATOM 0 HB2 MET A 95 8.315 0.314 -0.290 1.00 0.00 H new ATOM 0 HB3 MET A 95 6.719 1.037 -0.256 1.00 0.00 H new ATOM 0 HG2 MET A 95 7.550 3.233 -0.323 1.00 0.00 H new ATOM 0 HG3 MET A 95 9.047 2.808 0.485 1.00 0.00 H new ATOM 0 HE1 MET A 95 7.929 2.139 -3.937 1.00 0.00 H new ATOM 0 HE2 MET A 95 7.033 1.417 -2.579 1.00 0.00 H new ATOM 0 HE3 MET A 95 7.097 3.186 -2.764 1.00 0.00 H new ATOM 1032 N HIS A 96 5.903 1.713 3.086 1.00 0.00 N ATOM 1033 CA HIS A 96 4.509 1.665 3.577 1.00 0.00 C ATOM 1034 C HIS A 96 3.640 2.279 2.490 1.00 0.00 C ATOM 1035 O HIS A 96 3.989 3.288 1.909 1.00 0.00 O ATOM 1036 CB HIS A 96 4.392 2.477 4.856 1.00 0.00 C ATOM 1037 CG HIS A 96 4.301 1.547 6.025 1.00 0.00 C ATOM 1038 ND1 HIS A 96 4.016 0.212 6.096 1.00 0.00 N flip ATOM 1039 CD2 HIS A 96 4.516 1.963 7.330 1.00 0.00 C flip ATOM 1040 CE1 HIS A 96 4.061 -0.205 7.423 1.00 0.00 C flip ATOM 1041 NE2 HIS A 96 4.357 0.893 8.125 1.00 0.00 N flip ATOM 0 H HIS A 96 6.502 2.406 3.534 1.00 0.00 H new ATOM 0 HA HIS A 96 4.199 0.643 3.793 1.00 0.00 H new ATOM 0 HB2 HIS A 96 5.256 3.133 4.965 1.00 0.00 H new ATOM 0 HB3 HIS A 96 3.510 3.116 4.815 1.00 0.00 H new ATOM 0 HD2 HIS A 96 4.766 2.964 7.649 1.00 0.00 H new ATOM 0 HE1 HIS A 96 3.893 -1.202 7.804 1.00 0.00 H new ATOM 0 HE2 HIS A 96 4.451 0.915 9.140 1.00 0.00 H new ATOM 1049 N LEU A 97 2.541 1.678 2.173 1.00 0.00 N ATOM 1050 CA LEU A 97 1.705 2.240 1.086 1.00 0.00 C ATOM 1051 C LEU A 97 0.316 2.599 1.588 1.00 0.00 C ATOM 1052 O LEU A 97 -0.168 2.071 2.565 1.00 0.00 O ATOM 1053 CB LEU A 97 1.587 1.198 -0.016 1.00 0.00 C ATOM 1054 CG LEU A 97 2.215 1.750 -1.286 1.00 0.00 C ATOM 1055 CD1 LEU A 97 3.694 1.369 -1.342 1.00 0.00 C ATOM 1056 CD2 LEU A 97 1.497 1.157 -2.484 1.00 0.00 C ATOM 0 H LEU A 97 2.184 0.829 2.612 1.00 0.00 H new ATOM 0 HA LEU A 97 2.175 3.150 0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.087 0.276 0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.540 0.951 -0.190 1.00 0.00 H new ATOM 0 HG LEU A 97 2.127 2.836 -1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.138 1.767 -2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.210 1.784 -0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.791 0.283 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.939 1.545 -3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.594 0.071 -2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.442 1.427 -2.446 1.00 0.00 H new ATOM 1068 N LYS A 98 -0.329 3.487 0.891 1.00 0.00 N ATOM 1069 CA LYS A 98 -1.705 3.898 1.262 1.00 0.00 C ATOM 1070 C LYS A 98 -2.482 4.090 -0.040 1.00 0.00 C ATOM 1071 O LYS A 98 -2.240 5.022 -0.779 1.00 0.00 O ATOM 1072 CB LYS A 98 -1.669 5.214 2.046 1.00 0.00 C ATOM 1073 CG LYS A 98 -3.101 5.699 2.286 1.00 0.00 C ATOM 1074 CD LYS A 98 -3.076 7.087 2.930 1.00 0.00 C ATOM 1075 CE LYS A 98 -4.327 7.266 3.791 1.00 0.00 C ATOM 1076 NZ LYS A 98 -4.832 8.661 3.653 1.00 0.00 N ATOM 0 H LYS A 98 0.047 3.953 0.065 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.177 3.144 1.891 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.157 5.070 2.998 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.106 5.965 1.492 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.646 5.735 1.342 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.629 4.998 2.932 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.180 7.201 3.541 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.037 7.857 2.160 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.097 6.558 3.484 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.096 7.053 4.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.683 8.782 4.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.098 9.328 3.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.068 8.848 2.657 1.00 0.00 H new ATOM 1090 N VAL A 99 -3.383 3.204 -0.358 1.00 0.00 N ATOM 1091 CA VAL A 99 -4.119 3.346 -1.644 1.00 0.00 C ATOM 1092 C VAL A 99 -5.608 3.595 -1.380 1.00 0.00 C ATOM 1093 O VAL A 99 -6.127 3.265 -0.337 1.00 0.00 O ATOM 1094 CB VAL A 99 -3.966 2.038 -2.443 1.00 0.00 C ATOM 1095 CG1 VAL A 99 -5.208 1.789 -3.290 1.00 0.00 C ATOM 1096 CG2 VAL A 99 -2.773 2.117 -3.385 1.00 0.00 C ATOM 0 H VAL A 99 -3.640 2.396 0.210 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.712 4.189 -2.202 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.823 1.231 -1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.087 0.862 -3.850 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.081 1.710 -2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.346 2.617 -3.985 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.684 1.182 -3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.915 2.941 -4.084 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.864 2.284 -2.807 1.00 0.00 H new ATOM 1106 N PHE A 100 -6.316 4.125 -2.345 1.00 0.00 N ATOM 1107 CA PHE A 100 -7.770 4.323 -2.152 1.00 0.00 C ATOM 1108 C PHE A 100 -8.498 3.542 -3.247 1.00 0.00 C ATOM 1109 O PHE A 100 -8.276 3.759 -4.425 1.00 0.00 O ATOM 1110 CB PHE A 100 -8.120 5.813 -2.248 1.00 0.00 C ATOM 1111 CG PHE A 100 -9.343 6.110 -1.415 1.00 0.00 C ATOM 1112 CD1 PHE A 100 -10.437 5.239 -1.439 1.00 0.00 C ATOM 1113 CD2 PHE A 100 -9.382 7.262 -0.619 1.00 0.00 C ATOM 1114 CE1 PHE A 100 -11.571 5.516 -0.668 1.00 0.00 C ATOM 1115 CE2 PHE A 100 -10.516 7.541 0.152 1.00 0.00 C ATOM 1116 CZ PHE A 100 -11.611 6.667 0.129 1.00 0.00 C ATOM 0 H PHE A 100 -5.948 4.424 -3.248 1.00 0.00 H new ATOM 0 HA PHE A 100 -8.072 3.968 -1.166 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.280 6.415 -1.903 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -8.303 6.086 -3.287 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -10.406 4.351 -2.054 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -8.537 7.935 -0.600 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -12.415 4.843 -0.687 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -10.547 8.430 0.765 1.00 0.00 H new ATOM 0 HZ PHE A 100 -12.485 6.881 0.726 1.00 0.00 H new ATOM 1126 N LYS A 101 -9.364 2.635 -2.871 1.00 0.00 N ATOM 1127 CA LYS A 101 -10.120 1.844 -3.887 1.00 0.00 C ATOM 1128 C LYS A 101 -11.399 2.593 -4.207 1.00 0.00 C ATOM 1129 O LYS A 101 -12.479 2.042 -4.270 1.00 0.00 O ATOM 1130 CB LYS A 101 -10.469 0.494 -3.308 1.00 0.00 C ATOM 1131 CG LYS A 101 -10.536 -0.549 -4.426 1.00 0.00 C ATOM 1132 CD LYS A 101 -11.827 -1.358 -4.295 1.00 0.00 C ATOM 1133 CE LYS A 101 -12.344 -1.722 -5.688 1.00 0.00 C ATOM 1134 NZ LYS A 101 -13.737 -2.243 -5.582 1.00 0.00 N ATOM 0 H LYS A 101 -9.580 2.408 -1.900 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.520 1.707 -4.787 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.723 0.201 -2.569 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.427 0.547 -2.790 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.500 -0.058 -5.398 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.672 -1.212 -4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.645 -2.263 -3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.578 -0.780 -3.756 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.321 -0.846 -6.336 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.697 -2.473 -6.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.088 -2.490 -6.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.746 -3.089 -4.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.350 -1.513 -5.165 1.00 0.00 H new ATOM 1148 N SER A 102 -11.247 3.854 -4.378 1.00 0.00 N ATOM 1149 CA SER A 102 -12.383 4.764 -4.674 1.00 0.00 C ATOM 1150 C SER A 102 -13.415 4.056 -5.539 1.00 0.00 C ATOM 1151 O SER A 102 -13.349 4.082 -6.752 1.00 0.00 O ATOM 1152 CB SER A 102 -11.860 5.994 -5.412 1.00 0.00 C ATOM 1153 OG SER A 102 -10.647 5.659 -6.072 1.00 0.00 O ATOM 0 H SER A 102 -10.343 4.324 -4.324 1.00 0.00 H new ATOM 0 HA SER A 102 -12.854 5.063 -3.738 1.00 0.00 H new ATOM 0 HB2 SER A 102 -12.598 6.341 -6.135 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.693 6.811 -4.710 1.00 0.00 H new ATOM 0 HG SER A 102 -10.307 6.444 -6.549 1.00 0.00 H new ATOM 1159 N LEU A 102A -14.352 3.421 -4.901 1.00 0.00 N ATOM 1160 CA LEU A 102A -15.431 2.678 -5.630 1.00 0.00 C ATOM 1161 C LEU A 102A -15.698 3.324 -7.001 1.00 0.00 C ATOM 1162 O LEU A 102A -15.575 2.671 -8.019 1.00 0.00 O ATOM 1163 CB LEU A 102A -16.735 2.664 -4.811 1.00 0.00 C ATOM 1164 CG LEU A 102A -16.558 3.390 -3.471 1.00 0.00 C ATOM 1165 CD1 LEU A 102A -17.928 3.816 -2.938 1.00 0.00 C ATOM 1166 CD2 LEU A 102A -15.888 2.453 -2.461 1.00 0.00 C ATOM 0 H LEU A 102A -14.424 3.380 -3.884 1.00 0.00 H new ATOM 0 HA LEU A 102A -15.091 1.652 -5.774 1.00 0.00 H new ATOM 0 HB2 LEU A 102A -17.531 3.140 -5.383 1.00 0.00 H new ATOM 0 HB3 LEU A 102A -17.043 1.634 -4.631 1.00 0.00 H new ATOM 0 HG LEU A 102A -15.932 4.270 -3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 102A -17.804 4.332 -1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 102A -18.405 4.485 -3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 102A -18.553 2.934 -2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 102A -15.764 2.972 -1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 102A -16.511 1.571 -2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 102A -14.912 2.149 -2.839 1.00 0.00 H new ATOM 1178 N PRO A 103 -16.042 4.588 -6.991 1.00 0.00 N ATOM 1179 CA PRO A 103 -16.315 5.342 -8.230 1.00 0.00 C ATOM 1180 C PRO A 103 -15.001 5.685 -8.945 1.00 0.00 C ATOM 1181 O PRO A 103 -14.385 4.841 -9.564 1.00 0.00 O ATOM 1182 CB PRO A 103 -17.053 6.592 -7.731 1.00 0.00 C ATOM 1183 CG PRO A 103 -16.649 6.768 -6.248 1.00 0.00 C ATOM 1184 CD PRO A 103 -16.198 5.380 -5.755 1.00 0.00 C ATOM 0 HA PRO A 103 -16.903 4.789 -8.963 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -16.775 7.468 -8.317 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -18.132 6.472 -7.829 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -15.844 7.496 -6.148 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -17.488 7.137 -5.658 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -15.262 5.440 -5.200 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -16.936 4.935 -5.088 1.00 0.00 H new ATOM 1192 N GLY A 104 -14.566 6.907 -8.868 1.00 0.00 N ATOM 1193 CA GLY A 104 -13.295 7.297 -9.544 1.00 0.00 C ATOM 1194 C GLY A 104 -13.418 7.055 -11.051 1.00 0.00 C ATOM 1195 O GLY A 104 -14.331 6.399 -11.512 1.00 0.00 O ATOM 0 H GLY A 104 -15.036 7.659 -8.364 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -13.076 8.347 -9.351 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -12.464 6.719 -9.139 1.00 0.00 H new ATOM 1199 N GLN A 105 -12.502 7.578 -11.825 1.00 0.00 N ATOM 1200 CA GLN A 105 -12.565 7.372 -13.300 1.00 0.00 C ATOM 1201 C GLN A 105 -11.187 6.944 -13.810 1.00 0.00 C ATOM 1202 O GLN A 105 -10.338 6.546 -13.038 1.00 0.00 O ATOM 1203 CB GLN A 105 -12.987 8.673 -13.986 1.00 0.00 C ATOM 1204 CG GLN A 105 -11.903 9.735 -13.792 1.00 0.00 C ATOM 1205 CD GLN A 105 -12.534 10.999 -13.208 1.00 0.00 C ATOM 1206 OE1 GLN A 105 -13.705 11.011 -12.881 1.00 0.00 O ATOM 1207 NE2 GLN A 105 -11.806 12.072 -13.065 1.00 0.00 N ATOM 0 H GLN A 105 -11.715 8.138 -11.498 1.00 0.00 H new ATOM 0 HA GLN A 105 -13.295 6.596 -13.528 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -13.151 8.498 -15.049 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -13.932 9.024 -13.571 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -11.126 9.361 -13.125 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -11.424 9.961 -14.745 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -10.824 12.062 -13.339 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -12.219 12.921 -12.679 1.00 0.00 H new ATOM 1216 N ASN A 105A -10.965 7.023 -15.101 1.00 0.00 N ATOM 1217 CA ASN A 105A -9.647 6.621 -15.677 1.00 0.00 C ATOM 1218 C ASN A 105A -9.079 5.434 -14.894 1.00 0.00 C ATOM 1219 O ASN A 105A -9.814 4.603 -14.400 1.00 0.00 O ATOM 1220 CB ASN A 105A -8.681 7.804 -15.608 1.00 0.00 C ATOM 1221 CG ASN A 105A -8.289 8.072 -14.153 1.00 0.00 C ATOM 1222 OD1 ASN A 105A -9.108 8.487 -13.358 1.00 0.00 O ATOM 1223 ND2 ASN A 105A -7.060 7.858 -13.770 1.00 0.00 N ATOM 0 H ASN A 105A -11.648 7.352 -15.784 1.00 0.00 H new ATOM 0 HA ASN A 105A -9.780 6.325 -16.718 1.00 0.00 H new ATOM 0 HB2 ASN A 105A -7.791 7.593 -16.201 1.00 0.00 H new ATOM 0 HB3 ASN A 105A -9.147 8.691 -16.038 1.00 0.00 H new ATOM 0 HD21 ASN A 105A -6.788 8.039 -12.804 1.00 0.00 H new ATOM 0 HD22 ASN A 105A -6.371 7.509 -14.437 1.00 0.00 H new ATOM 1230 N GLU A 106 -7.781 5.348 -14.770 1.00 0.00 N ATOM 1231 CA GLU A 106 -7.182 4.214 -14.010 1.00 0.00 C ATOM 1232 C GLU A 106 -7.989 3.987 -12.727 1.00 0.00 C ATOM 1233 O GLU A 106 -8.723 4.849 -12.287 1.00 0.00 O ATOM 1234 CB GLU A 106 -5.732 4.552 -13.658 1.00 0.00 C ATOM 1235 CG GLU A 106 -4.938 4.778 -14.947 1.00 0.00 C ATOM 1236 CD GLU A 106 -4.942 3.494 -15.779 1.00 0.00 C ATOM 1237 OE1 GLU A 106 -5.294 2.460 -15.235 1.00 0.00 O ATOM 1238 OE2 GLU A 106 -4.593 3.567 -16.946 1.00 0.00 O ATOM 0 H GLU A 106 -7.112 6.012 -15.161 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.203 3.308 -14.616 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.696 5.445 -13.034 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.287 3.741 -13.081 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.377 5.596 -15.519 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.914 5.068 -14.710 1.00 0.00 H new ATOM 1245 N ASP A 107 -7.873 2.832 -12.130 1.00 0.00 N ATOM 1246 CA ASP A 107 -8.652 2.559 -10.888 1.00 0.00 C ATOM 1247 C ASP A 107 -7.739 2.657 -9.662 1.00 0.00 C ATOM 1248 O ASP A 107 -6.530 2.609 -9.769 1.00 0.00 O ATOM 1249 CB ASP A 107 -9.252 1.154 -10.967 1.00 0.00 C ATOM 1250 CG ASP A 107 -10.047 1.012 -12.267 1.00 0.00 C ATOM 1251 OD1 ASP A 107 -9.427 0.816 -13.300 1.00 0.00 O ATOM 1252 OD2 ASP A 107 -11.262 1.102 -12.208 1.00 0.00 O ATOM 0 H ASP A 107 -7.275 2.068 -12.447 1.00 0.00 H new ATOM 0 HA ASP A 107 -9.449 3.296 -10.796 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -8.460 0.406 -10.929 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.901 0.975 -10.110 1.00 0.00 H new ATOM 1257 N LEU A 108 -8.316 2.791 -8.497 1.00 0.00 N ATOM 1258 CA LEU A 108 -7.496 2.889 -7.259 1.00 0.00 C ATOM 1259 C LEU A 108 -6.550 4.059 -7.336 1.00 0.00 C ATOM 1260 O LEU A 108 -6.439 4.741 -8.336 1.00 0.00 O ATOM 1261 CB LEU A 108 -6.694 1.614 -7.060 1.00 0.00 C ATOM 1262 CG LEU A 108 -7.447 0.723 -6.088 1.00 0.00 C ATOM 1263 CD1 LEU A 108 -8.684 0.176 -6.786 1.00 0.00 C ATOM 1264 CD2 LEU A 108 -6.543 -0.434 -5.652 1.00 0.00 C ATOM 0 H LEU A 108 -9.325 2.837 -8.352 1.00 0.00 H new ATOM 0 HA LEU A 108 -8.173 3.033 -6.417 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.552 1.102 -8.012 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.702 1.846 -6.672 1.00 0.00 H new ATOM 0 HG LEU A 108 -7.743 1.294 -5.208 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.235 -0.466 -6.099 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.321 1.003 -7.099 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.383 -0.401 -7.660 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -7.083 -1.074 -4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -6.250 -1.016 -6.526 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -5.652 -0.036 -5.165 1.00 0.00 H new ATOM 1276 N VAL A 109 -5.902 4.318 -6.250 1.00 0.00 N ATOM 1277 CA VAL A 109 -4.985 5.476 -6.195 1.00 0.00 C ATOM 1278 C VAL A 109 -3.889 5.260 -5.155 1.00 0.00 C ATOM 1279 O VAL A 109 -4.027 4.471 -4.246 1.00 0.00 O ATOM 1280 CB VAL A 109 -5.826 6.651 -5.752 1.00 0.00 C ATOM 1281 CG1 VAL A 109 -6.338 6.352 -4.355 1.00 0.00 C ATOM 1282 CG2 VAL A 109 -4.993 7.933 -5.746 1.00 0.00 C ATOM 0 H VAL A 109 -5.967 3.774 -5.389 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.511 5.629 -7.164 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.658 6.799 -6.440 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.950 7.184 -4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.938 5.443 -4.374 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.494 6.215 -3.680 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.614 8.769 -5.425 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.154 7.819 -5.059 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.616 8.126 -6.750 1.00 0.00 H new ATOM 1292 N LEU A 110 -2.824 6.004 -5.256 1.00 0.00 N ATOM 1293 CA LEU A 110 -1.747 5.918 -4.277 1.00 0.00 C ATOM 1294 C LEU A 110 -2.008 7.053 -3.284 1.00 0.00 C ATOM 1295 O LEU A 110 -1.491 8.144 -3.409 1.00 0.00 O ATOM 1296 CB LEU A 110 -0.444 6.125 -5.031 1.00 0.00 C ATOM 1297 CG LEU A 110 0.637 6.536 -4.067 1.00 0.00 C ATOM 1298 CD1 LEU A 110 0.723 5.497 -2.955 1.00 0.00 C ATOM 1299 CD2 LEU A 110 1.952 6.610 -4.824 1.00 0.00 C ATOM 0 H LEU A 110 -2.667 6.681 -6.002 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.694 4.966 -3.750 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.158 5.206 -5.543 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -0.573 6.890 -5.797 1.00 0.00 H new ATOM 0 HG LEU A 110 0.418 7.509 -3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.503 5.783 -2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.233 5.440 -2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 110 0.961 4.524 -3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.748 6.907 -4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.183 5.633 -5.248 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.869 7.344 -5.626 1.00 0.00 H new ATOM 1311 N THR A 111 -2.878 6.823 -2.345 1.00 0.00 N ATOM 1312 CA THR A 111 -3.251 7.903 -1.388 1.00 0.00 C ATOM 1313 C THR A 111 -2.108 8.231 -0.422 1.00 0.00 C ATOM 1314 O THR A 111 -2.174 9.207 0.300 1.00 0.00 O ATOM 1315 CB THR A 111 -4.490 7.469 -0.608 1.00 0.00 C ATOM 1316 OG1 THR A 111 -4.521 6.051 -0.524 1.00 0.00 O ATOM 1317 CG2 THR A 111 -5.737 7.967 -1.341 1.00 0.00 C ATOM 0 H THR A 111 -3.350 5.931 -2.196 1.00 0.00 H new ATOM 0 HA THR A 111 -3.462 8.809 -1.957 1.00 0.00 H new ATOM 0 HB THR A 111 -4.462 7.888 0.398 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.260 5.774 0.057 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.628 7.662 -0.792 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.708 9.054 -1.411 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.765 7.540 -2.343 1.00 0.00 H new ATOM 1325 N GLY A 112 -1.058 7.457 -0.394 1.00 0.00 N ATOM 1326 CA GLY A 112 0.056 7.797 0.543 1.00 0.00 C ATOM 1327 C GLY A 112 1.065 6.654 0.647 1.00 0.00 C ATOM 1328 O GLY A 112 1.054 5.718 -0.126 1.00 0.00 O ATOM 0 H GLY A 112 -0.921 6.622 -0.964 1.00 0.00 H new ATOM 0 HA2 GLY A 112 0.561 8.700 0.199 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -0.351 8.016 1.530 1.00 0.00 H new ATOM 1332 N TYR A 113 1.953 6.743 1.602 1.00 0.00 N ATOM 1333 CA TYR A 113 2.985 5.700 1.778 1.00 0.00 C ATOM 1334 C TYR A 113 4.049 6.207 2.751 1.00 0.00 C ATOM 1335 O TYR A 113 4.521 7.320 2.636 1.00 0.00 O ATOM 1336 CB TYR A 113 3.655 5.436 0.444 1.00 0.00 C ATOM 1337 CG TYR A 113 4.040 6.755 -0.183 1.00 0.00 C ATOM 1338 CD1 TYR A 113 5.237 7.381 0.187 1.00 0.00 C ATOM 1339 CD2 TYR A 113 3.197 7.356 -1.123 1.00 0.00 C ATOM 1340 CE1 TYR A 113 5.590 8.607 -0.384 1.00 0.00 C ATOM 1341 CE2 TYR A 113 3.550 8.584 -1.694 1.00 0.00 C ATOM 1342 CZ TYR A 113 4.747 9.209 -1.325 1.00 0.00 C ATOM 1343 OH TYR A 113 5.096 10.419 -1.889 1.00 0.00 O ATOM 0 H TYR A 113 2.001 7.509 2.274 1.00 0.00 H new ATOM 0 HA TYR A 113 2.522 4.790 2.160 1.00 0.00 H new ATOM 0 HB2 TYR A 113 4.539 4.813 0.583 1.00 0.00 H new ATOM 0 HB3 TYR A 113 2.980 4.889 -0.214 1.00 0.00 H new ATOM 0 HD1 TYR A 113 5.887 6.916 0.913 1.00 0.00 H new ATOM 0 HD2 TYR A 113 2.274 6.873 -1.408 1.00 0.00 H new ATOM 0 HE1 TYR A 113 6.513 9.090 -0.099 1.00 0.00 H new ATOM 0 HE2 TYR A 113 2.899 9.049 -2.419 1.00 0.00 H new ATOM 0 HH TYR A 113 4.402 10.697 -2.523 1.00 0.00 H new ATOM 1353 N GLN A 114 4.467 5.401 3.681 1.00 0.00 N ATOM 1354 CA GLN A 114 5.540 5.861 4.604 1.00 0.00 C ATOM 1355 C GLN A 114 6.862 5.454 3.965 1.00 0.00 C ATOM 1356 O GLN A 114 7.228 4.297 3.958 1.00 0.00 O ATOM 1357 CB GLN A 114 5.418 5.215 5.993 1.00 0.00 C ATOM 1358 CG GLN A 114 3.947 4.964 6.341 1.00 0.00 C ATOM 1359 CD GLN A 114 3.585 5.767 7.588 1.00 0.00 C ATOM 1360 OE1 GLN A 114 3.373 5.208 8.645 1.00 0.00 O ATOM 1361 NE2 GLN A 114 3.508 7.066 7.508 1.00 0.00 N ATOM 0 H GLN A 114 4.119 4.456 3.843 1.00 0.00 H new ATOM 0 HA GLN A 114 5.467 6.939 4.751 1.00 0.00 H new ATOM 0 HB2 GLN A 114 5.968 4.274 6.013 1.00 0.00 H new ATOM 0 HB3 GLN A 114 5.870 5.864 6.743 1.00 0.00 H new ATOM 0 HG2 GLN A 114 3.308 5.256 5.507 1.00 0.00 H new ATOM 0 HG3 GLN A 114 3.778 3.901 6.516 1.00 0.00 H new ATOM 0 HE21 GLN A 114 3.686 7.534 6.619 1.00 0.00 H new ATOM 0 HE22 GLN A 114 3.269 7.615 8.334 1.00 0.00 H new ATOM 1370 N VAL A 115 7.563 6.383 3.389 1.00 0.00 N ATOM 1371 CA VAL A 115 8.825 6.036 2.718 1.00 0.00 C ATOM 1372 C VAL A 115 9.872 5.608 3.737 1.00 0.00 C ATOM 1373 O VAL A 115 9.764 5.879 4.917 1.00 0.00 O ATOM 1374 CB VAL A 115 9.317 7.250 1.965 1.00 0.00 C ATOM 1375 CG1 VAL A 115 9.746 8.305 2.964 1.00 0.00 C ATOM 1376 CG2 VAL A 115 10.498 6.856 1.097 1.00 0.00 C ATOM 0 H VAL A 115 7.310 7.371 3.357 1.00 0.00 H new ATOM 0 HA VAL A 115 8.655 5.206 2.032 1.00 0.00 H new ATOM 0 HB VAL A 115 8.523 7.646 1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.103 9.186 2.432 1.00 0.00 H new ATOM 0 HG12 VAL A 115 8.897 8.579 3.591 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.546 7.910 3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 115 10.856 7.729 0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 115 11.299 6.468 1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 115 10.189 6.088 0.388 1.00 0.00 H new ATOM 1386 N ASP A 115A 10.885 4.937 3.277 1.00 0.00 N ATOM 1387 CA ASP A 115A 11.959 4.476 4.194 1.00 0.00 C ATOM 1388 C ASP A 115A 11.348 3.931 5.489 1.00 0.00 C ATOM 1389 O ASP A 115A 11.831 4.203 6.570 1.00 0.00 O ATOM 1390 CB ASP A 115A 12.875 5.654 4.522 1.00 0.00 C ATOM 1391 CG ASP A 115A 14.332 5.199 4.460 1.00 0.00 C ATOM 1392 OD1 ASP A 115A 14.652 4.211 5.099 1.00 0.00 O ATOM 1393 OD2 ASP A 115A 15.105 5.844 3.769 1.00 0.00 O ATOM 0 H ASP A 115A 11.017 4.686 2.297 1.00 0.00 H new ATOM 0 HA ASP A 115A 12.530 3.683 3.710 1.00 0.00 H new ATOM 0 HB2 ASP A 115A 12.706 6.467 3.816 1.00 0.00 H new ATOM 0 HB3 ASP A 115A 12.646 6.041 5.515 1.00 0.00 H new ATOM 1398 N LYS A 116 10.298 3.158 5.397 1.00 0.00 N ATOM 1399 CA LYS A 116 9.687 2.602 6.622 1.00 0.00 C ATOM 1400 C LYS A 116 10.082 1.132 6.733 1.00 0.00 C ATOM 1401 O LYS A 116 9.643 0.302 5.963 1.00 0.00 O ATOM 1402 CB LYS A 116 8.168 2.746 6.532 1.00 0.00 C ATOM 1403 CG LYS A 116 7.690 3.622 7.680 1.00 0.00 C ATOM 1404 CD LYS A 116 8.365 4.993 7.591 1.00 0.00 C ATOM 1405 CE LYS A 116 8.505 5.588 8.993 1.00 0.00 C ATOM 1406 NZ LYS A 116 9.911 6.035 9.205 1.00 0.00 N ATOM 0 H LYS A 116 9.843 2.892 4.524 1.00 0.00 H new ATOM 0 HA LYS A 116 10.036 3.136 7.506 1.00 0.00 H new ATOM 0 HB2 LYS A 116 7.887 3.189 5.577 1.00 0.00 H new ATOM 0 HB3 LYS A 116 7.692 1.766 6.581 1.00 0.00 H new ATOM 0 HG2 LYS A 116 6.607 3.735 7.639 1.00 0.00 H new ATOM 0 HG3 LYS A 116 7.925 3.150 8.634 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.346 4.897 7.126 1.00 0.00 H new ATOM 0 HD3 LYS A 116 7.777 5.659 6.959 1.00 0.00 H new ATOM 0 HE2 LYS A 116 7.823 6.430 9.112 1.00 0.00 H new ATOM 0 HE3 LYS A 116 8.231 4.847 9.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 10.007 6.440 10.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 10.552 5.222 9.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 10.157 6.756 8.497 1.00 0.00 H new ATOM 1420 N ASN A 117 10.932 0.805 7.666 1.00 0.00 N ATOM 1421 CA ASN A 117 11.380 -0.609 7.802 1.00 0.00 C ATOM 1422 C ASN A 117 10.230 -1.484 8.291 1.00 0.00 C ATOM 1423 O ASN A 117 9.093 -1.062 8.368 1.00 0.00 O ATOM 1424 CB ASN A 117 12.531 -0.687 8.808 1.00 0.00 C ATOM 1425 CG ASN A 117 13.746 0.060 8.259 1.00 0.00 C ATOM 1426 OD1 ASN A 117 13.751 1.273 8.199 1.00 0.00 O ATOM 1427 ND2 ASN A 117 14.785 -0.618 7.851 1.00 0.00 N ATOM 0 H ASN A 117 11.336 1.455 8.340 1.00 0.00 H new ATOM 0 HA ASN A 117 11.713 -0.966 6.827 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.225 -0.253 9.760 1.00 0.00 H new ATOM 0 HB3 ASN A 117 12.789 -1.728 9.000 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.600 -0.129 7.482 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.781 -1.637 7.901 1.00 0.00 H new ATOM 1434 N LYS A 118 10.529 -2.709 8.618 1.00 0.00 N ATOM 1435 CA LYS A 118 9.478 -3.642 9.102 1.00 0.00 C ATOM 1436 C LYS A 118 8.958 -3.170 10.457 1.00 0.00 C ATOM 1437 O LYS A 118 7.776 -3.226 10.737 1.00 0.00 O ATOM 1438 CB LYS A 118 10.090 -5.031 9.258 1.00 0.00 C ATOM 1439 CG LYS A 118 9.022 -6.013 9.738 1.00 0.00 C ATOM 1440 CD LYS A 118 9.621 -7.418 9.802 1.00 0.00 C ATOM 1441 CE LYS A 118 9.442 -7.986 11.211 1.00 0.00 C ATOM 1442 NZ LYS A 118 9.667 -9.458 11.182 1.00 0.00 N ATOM 0 H LYS A 118 11.467 -3.107 8.570 1.00 0.00 H new ATOM 0 HA LYS A 118 8.654 -3.671 8.389 1.00 0.00 H new ATOM 0 HB2 LYS A 118 10.504 -5.365 8.307 1.00 0.00 H new ATOM 0 HB3 LYS A 118 10.914 -4.998 9.971 1.00 0.00 H new ATOM 0 HG2 LYS A 118 8.654 -5.717 10.720 1.00 0.00 H new ATOM 0 HG3 LYS A 118 8.168 -6.000 9.061 1.00 0.00 H new ATOM 0 HD2 LYS A 118 9.134 -8.066 9.073 1.00 0.00 H new ATOM 0 HD3 LYS A 118 10.679 -7.386 9.543 1.00 0.00 H new ATOM 0 HE2 LYS A 118 10.144 -7.513 11.898 1.00 0.00 H new ATOM 0 HE3 LYS A 118 8.440 -7.767 11.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 9.546 -9.847 12.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 8.981 -9.901 10.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 10.632 -9.655 10.848 1.00 0.00 H new ATOM 1456 N ASP A 119 9.835 -2.715 11.304 1.00 0.00 N ATOM 1457 CA ASP A 119 9.403 -2.249 12.651 1.00 0.00 C ATOM 1458 C ASP A 119 8.250 -1.250 12.524 1.00 0.00 C ATOM 1459 O ASP A 119 7.540 -0.995 13.476 1.00 0.00 O ATOM 1460 CB ASP A 119 10.579 -1.573 13.359 1.00 0.00 C ATOM 1461 CG ASP A 119 10.372 -1.650 14.874 1.00 0.00 C ATOM 1462 OD1 ASP A 119 9.694 -0.785 15.403 1.00 0.00 O ATOM 1463 OD2 ASP A 119 10.892 -2.574 15.477 1.00 0.00 O ATOM 0 H ASP A 119 10.836 -2.645 11.122 1.00 0.00 H new ATOM 0 HA ASP A 119 9.067 -3.110 13.229 1.00 0.00 H new ATOM 0 HB2 ASP A 119 11.514 -2.062 13.083 1.00 0.00 H new ATOM 0 HB3 ASP A 119 10.658 -0.533 13.044 1.00 0.00 H new ATOM 1468 N ASP A 120 8.056 -0.670 11.370 1.00 0.00 N ATOM 1469 CA ASP A 120 6.948 0.314 11.231 1.00 0.00 C ATOM 1470 C ASP A 120 5.660 -0.395 10.846 1.00 0.00 C ATOM 1471 O ASP A 120 5.469 -0.783 9.710 1.00 0.00 O ATOM 1472 CB ASP A 120 7.269 1.334 10.140 1.00 0.00 C ATOM 1473 CG ASP A 120 6.859 2.729 10.616 1.00 0.00 C ATOM 1474 OD1 ASP A 120 5.714 3.093 10.405 1.00 0.00 O ATOM 1475 OD2 ASP A 120 7.699 3.410 11.182 1.00 0.00 O ATOM 0 H ASP A 120 8.609 -0.833 10.529 1.00 0.00 H new ATOM 0 HA ASP A 120 6.831 0.819 12.190 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.334 1.314 9.910 1.00 0.00 H new ATOM 0 HB3 ASP A 120 6.740 1.080 9.222 1.00 0.00 H new ATOM 1480 N GLU A 121 4.753 -0.534 11.763 1.00 0.00 N ATOM 1481 CA GLU A 121 3.465 -1.167 11.421 1.00 0.00 C ATOM 1482 C GLU A 121 2.587 -0.068 10.831 1.00 0.00 C ATOM 1483 O GLU A 121 2.864 1.103 11.005 1.00 0.00 O ATOM 1484 CB GLU A 121 2.819 -1.733 12.686 1.00 0.00 C ATOM 1485 CG GLU A 121 2.262 -3.124 12.395 1.00 0.00 C ATOM 1486 CD GLU A 121 3.376 -4.164 12.529 1.00 0.00 C ATOM 1487 OE1 GLU A 121 4.509 -3.765 12.747 1.00 0.00 O ATOM 1488 OE2 GLU A 121 3.078 -5.342 12.411 1.00 0.00 O ATOM 0 H GLU A 121 4.851 -0.236 12.734 1.00 0.00 H new ATOM 0 HA GLU A 121 3.596 -1.986 10.714 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.553 -1.785 13.490 1.00 0.00 H new ATOM 0 HB3 GLU A 121 2.020 -1.074 13.025 1.00 0.00 H new ATOM 0 HG2 GLU A 121 1.452 -3.354 13.087 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.841 -3.155 11.390 1.00 0.00 H new ATOM 1495 N LEU A 122 1.537 -0.400 10.141 1.00 0.00 N ATOM 1496 CA LEU A 122 0.688 0.681 9.575 1.00 0.00 C ATOM 1497 C LEU A 122 -0.318 1.144 10.629 1.00 0.00 C ATOM 1498 O LEU A 122 -1.245 1.872 10.338 1.00 0.00 O ATOM 1499 CB LEU A 122 0.009 0.178 8.307 1.00 0.00 C ATOM 1500 CG LEU A 122 1.119 -0.347 7.404 1.00 0.00 C ATOM 1501 CD1 LEU A 122 1.179 -1.862 7.488 1.00 0.00 C ATOM 1502 CD2 LEU A 122 0.890 0.068 5.958 1.00 0.00 C ATOM 0 H LEU A 122 1.233 -1.354 9.946 1.00 0.00 H new ATOM 0 HA LEU A 122 1.297 1.543 9.303 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.709 -0.609 8.537 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.543 0.980 7.818 1.00 0.00 H new ATOM 0 HG LEU A 122 2.062 0.081 7.744 1.00 0.00 H new ATOM 0 HD11 LEU A 122 1.974 -2.231 6.840 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.380 -2.162 8.517 1.00 0.00 H new ATOM 0 HD13 LEU A 122 0.226 -2.282 7.167 1.00 0.00 H new ATOM 0 HD21 LEU A 122 1.697 -0.320 5.336 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.062 -0.334 5.610 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.871 1.156 5.890 1.00 0.00 H new ATOM 1514 N THR A 123 -0.079 0.748 11.860 1.00 0.00 N ATOM 1515 CA THR A 123 -0.917 1.150 13.033 1.00 0.00 C ATOM 1516 C THR A 123 -2.116 2.015 12.621 1.00 0.00 C ATOM 1517 O THR A 123 -3.240 1.556 12.580 1.00 0.00 O ATOM 1518 CB THR A 123 -0.016 1.937 14.007 1.00 0.00 C ATOM 1519 OG1 THR A 123 -0.664 3.140 14.399 1.00 0.00 O ATOM 1520 CG2 THR A 123 1.330 2.276 13.328 1.00 0.00 C ATOM 0 H THR A 123 0.699 0.135 12.106 1.00 0.00 H new ATOM 0 HA THR A 123 -1.321 0.253 13.502 1.00 0.00 H new ATOM 0 HB THR A 123 0.171 1.322 14.887 1.00 0.00 H new ATOM 0 HG1 THR A 123 -0.088 3.635 15.019 1.00 0.00 H new ATOM 0 HG21 THR A 123 1.959 2.832 14.024 1.00 0.00 H new ATOM 0 HG22 THR A 123 1.835 1.354 13.040 1.00 0.00 H new ATOM 0 HG23 THR A 123 1.147 2.882 12.441 1.00 0.00 H new ATOM 1528 N GLY A 124 -1.885 3.265 12.326 1.00 0.00 N ATOM 1529 CA GLY A 124 -3.009 4.161 11.927 1.00 0.00 C ATOM 1530 C GLY A 124 -2.554 5.064 10.783 1.00 0.00 C ATOM 1531 O GLY A 124 -3.192 6.045 10.454 1.00 0.00 O ATOM 0 H GLY A 124 -0.965 3.706 12.344 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -3.869 3.568 11.617 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -3.327 4.764 12.777 1.00 0.00 H new ATOM 1535 N PHE A 125 -1.461 4.725 10.168 1.00 0.00 N ATOM 1536 CA PHE A 125 -0.953 5.532 9.035 1.00 0.00 C ATOM 1537 C PHE A 125 -1.801 5.222 7.797 1.00 0.00 C ATOM 1538 O PHE A 125 -2.509 6.108 7.347 1.00 0.00 O ATOM 1539 CB PHE A 125 0.530 5.171 8.809 1.00 0.00 C ATOM 1540 CG PHE A 125 0.826 5.036 7.335 1.00 0.00 C ATOM 1541 CD1 PHE A 125 0.825 6.166 6.513 1.00 0.00 C ATOM 1542 CD2 PHE A 125 1.079 3.771 6.793 1.00 0.00 C ATOM 1543 CE1 PHE A 125 1.077 6.030 5.147 1.00 0.00 C ATOM 1544 CE2 PHE A 125 1.324 3.635 5.424 1.00 0.00 C ATOM 1545 CZ PHE A 125 1.323 4.767 4.601 1.00 0.00 C ATOM 1546 OXT PHE A 125 -1.728 4.100 7.326 1.00 0.00 O ATOM 0 H PHE A 125 -0.892 3.913 10.406 1.00 0.00 H new ATOM 0 HA PHE A 125 -1.023 6.600 9.241 1.00 0.00 H new ATOM 0 HB2 PHE A 125 1.167 5.941 9.244 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.764 4.237 9.319 1.00 0.00 H new ATOM 0 HD1 PHE A 125 0.630 7.142 6.933 1.00 0.00 H new ATOM 0 HD2 PHE A 125 1.085 2.900 7.432 1.00 0.00 H new ATOM 0 HE1 PHE A 125 1.082 6.902 4.510 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.514 2.659 5.002 1.00 0.00 H new ATOM 0 HZ PHE A 125 1.513 4.665 3.543 1.00 0.00 H new TER 1556 PHE A 125