USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 807 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 48 CYS SG : rot 174:sc= -1.81 USER MOD Set 1.2: A 52 SER OG : rot -121:sc= 0.341 USER MOD Set 2.1: A 26 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 21 THR OG1 : rot 79:sc= -0.0596 USER MOD Set 3.2: A 24 THR OG1 : rot 180:sc= -1.12 USER MOD Set 4.1: A 9 THR OG1 : rot 110:sc= 0.0361 USER MOD Set 4.2: A 87 ASN : amide:sc= -3.4! C(o=-3.4!,f=-16!) USER MOD Single : A 1 GLY N :NH3+ 143:sc= 0.057 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 51:sc= 0.195 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.0191 K(o=0.019,f=-0.57) USER MOD Single : A 14 HIS : no HD1:sc= -0.0875 X(o=-0.088,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 90:sc= -0.0232 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 30:sc= -0.921 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.606 USER MOD Single : A 59 ASN : amide:sc= -2.28! C(o=-2.3!,f=-13!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -30:sc= 1.34 USER MOD Single : A 92 SER OG : rot -140:sc= -0.878 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.452 28.425 0.776 1.00 0.00 N ATOM 2 CA GLY A 1 7.576 29.203 1.636 1.00 0.00 C ATOM 3 C GLY A 1 6.482 28.323 2.243 1.00 0.00 C ATOM 4 O GLY A 1 6.104 27.306 1.662 1.00 0.00 O ATOM 0 H1 GLY A 1 8.731 28.999 -0.046 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.301 28.145 1.307 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.952 27.573 0.450 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.159 29.666 2.432 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.122 30.011 1.063 1.00 0.00 H new ATOM 8 N SER A 2 6.003 28.745 3.404 1.00 0.00 N ATOM 9 CA SER A 2 4.960 28.008 4.097 1.00 0.00 C ATOM 10 C SER A 2 3.660 28.061 3.292 1.00 0.00 C ATOM 11 O SER A 2 3.278 29.118 2.792 1.00 0.00 O ATOM 12 CB SER A 2 4.736 28.562 5.505 1.00 0.00 C ATOM 13 OG SER A 2 3.563 28.025 6.110 1.00 0.00 O ATOM 0 H SER A 2 6.318 29.589 3.883 1.00 0.00 H new ATOM 0 HA SER A 2 5.279 26.970 4.192 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.602 28.333 6.127 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.655 29.648 5.459 1.00 0.00 H new ATOM 0 HG SER A 2 3.456 28.402 7.008 1.00 0.00 H new ATOM 19 N SER A 3 3.015 26.908 3.193 1.00 0.00 N ATOM 20 CA SER A 3 1.765 26.810 2.458 1.00 0.00 C ATOM 21 C SER A 3 0.650 26.322 3.385 1.00 0.00 C ATOM 22 O SER A 3 -0.363 26.999 3.553 1.00 0.00 O ATOM 23 CB SER A 3 1.905 25.874 1.256 1.00 0.00 C ATOM 24 OG SER A 3 0.784 25.958 0.381 1.00 0.00 O ATOM 0 H SER A 3 3.334 26.033 3.610 1.00 0.00 H new ATOM 0 HA SER A 3 1.509 27.801 2.084 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.813 26.123 0.707 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.015 24.848 1.606 1.00 0.00 H new ATOM 0 HG SER A 3 0.912 25.347 -0.374 1.00 0.00 H new ATOM 30 N GLY A 4 0.874 25.150 3.961 1.00 0.00 N ATOM 31 CA GLY A 4 -0.099 24.563 4.866 1.00 0.00 C ATOM 32 C GLY A 4 0.402 23.228 5.420 1.00 0.00 C ATOM 33 O GLY A 4 1.197 23.201 6.358 1.00 0.00 O ATOM 0 H GLY A 4 1.715 24.591 3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.297 25.251 5.688 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.043 24.412 4.342 1.00 0.00 H new ATOM 37 N SER A 5 -0.083 22.154 4.816 1.00 0.00 N ATOM 38 CA SER A 5 0.306 20.818 5.237 1.00 0.00 C ATOM 39 C SER A 5 -0.431 19.770 4.401 1.00 0.00 C ATOM 40 O SER A 5 -1.499 19.300 4.790 1.00 0.00 O ATOM 41 CB SER A 5 0.022 20.606 6.726 1.00 0.00 C ATOM 42 OG SER A 5 -1.300 21.002 7.079 1.00 0.00 O ATOM 0 H SER A 5 -0.742 22.181 4.038 1.00 0.00 H new ATOM 0 HA SER A 5 1.379 20.708 5.080 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.164 19.555 6.976 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.741 21.174 7.317 1.00 0.00 H new ATOM 0 HG SER A 5 -1.941 20.586 6.466 1.00 0.00 H new ATOM 48 N SER A 6 0.168 19.435 3.268 1.00 0.00 N ATOM 49 CA SER A 6 -0.418 18.451 2.374 1.00 0.00 C ATOM 50 C SER A 6 -0.345 17.060 3.007 1.00 0.00 C ATOM 51 O SER A 6 -1.372 16.417 3.223 1.00 0.00 O ATOM 52 CB SER A 6 0.285 18.454 1.015 1.00 0.00 C ATOM 53 OG SER A 6 -0.519 19.047 0.000 1.00 0.00 O ATOM 0 H SER A 6 1.054 19.828 2.948 1.00 0.00 H new ATOM 0 HA SER A 6 -1.463 18.715 2.212 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.227 18.997 1.095 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.530 17.431 0.731 1.00 0.00 H new ATOM 0 HG SER A 6 -0.035 19.031 -0.852 1.00 0.00 H new ATOM 59 N GLY A 7 0.879 16.635 3.286 1.00 0.00 N ATOM 60 CA GLY A 7 1.099 15.332 3.890 1.00 0.00 C ATOM 61 C GLY A 7 0.950 14.216 2.854 1.00 0.00 C ATOM 62 O GLY A 7 0.364 14.423 1.793 1.00 0.00 O ATOM 0 H GLY A 7 1.728 17.170 3.105 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.096 15.294 4.330 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.387 15.178 4.701 1.00 0.00 H new ATOM 66 N PRO A 8 1.504 13.025 3.208 1.00 0.00 N ATOM 67 CA PRO A 8 1.439 11.876 2.321 1.00 0.00 C ATOM 68 C PRO A 8 0.037 11.263 2.322 1.00 0.00 C ATOM 69 O PRO A 8 -0.637 11.246 3.350 1.00 0.00 O ATOM 70 CB PRO A 8 2.505 10.922 2.834 1.00 0.00 C ATOM 71 CG PRO A 8 2.807 11.361 4.258 1.00 0.00 C ATOM 72 CD PRO A 8 2.206 12.743 4.457 1.00 0.00 C ATOM 0 HA PRO A 8 1.626 12.137 1.279 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.151 9.891 2.810 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.400 10.966 2.214 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.385 10.655 4.973 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.883 11.384 4.430 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.524 12.760 5.307 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.979 13.486 4.654 1.00 0.00 H new ATOM 80 N THR A 9 -0.361 10.773 1.156 1.00 0.00 N ATOM 81 CA THR A 9 -1.670 10.161 1.009 1.00 0.00 C ATOM 82 C THR A 9 -1.923 9.165 2.143 1.00 0.00 C ATOM 83 O THR A 9 -0.982 8.633 2.728 1.00 0.00 O ATOM 84 CB THR A 9 -1.742 9.528 -0.382 1.00 0.00 C ATOM 85 OG1 THR A 9 -0.537 8.775 -0.484 1.00 0.00 O ATOM 86 CG2 THR A 9 -1.631 10.564 -1.503 1.00 0.00 C ATOM 0 H THR A 9 0.201 10.788 0.305 1.00 0.00 H new ATOM 0 HA THR A 9 -2.465 10.903 1.086 1.00 0.00 H new ATOM 0 HB THR A 9 -2.680 8.982 -0.484 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.746 7.818 -0.461 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.688 10.062 -2.469 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.448 11.281 -1.418 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.678 11.088 -1.422 1.00 0.00 H new ATOM 94 N SER A 10 -3.200 8.944 2.419 1.00 0.00 N ATOM 95 CA SER A 10 -3.589 8.023 3.473 1.00 0.00 C ATOM 96 C SER A 10 -3.094 6.613 3.144 1.00 0.00 C ATOM 97 O SER A 10 -3.173 6.176 1.997 1.00 0.00 O ATOM 98 CB SER A 10 -5.107 8.020 3.670 1.00 0.00 C ATOM 99 OG SER A 10 -5.466 8.063 5.048 1.00 0.00 O ATOM 0 H SER A 10 -3.978 9.387 1.931 1.00 0.00 H new ATOM 0 HA SER A 10 -3.130 8.355 4.404 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.541 8.877 3.155 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.530 7.126 3.213 1.00 0.00 H new ATOM 0 HG SER A 10 -6.442 8.061 5.132 1.00 0.00 H new ATOM 105 N ALA A 11 -2.596 5.940 4.171 1.00 0.00 N ATOM 106 CA ALA A 11 -2.089 4.589 4.005 1.00 0.00 C ATOM 107 C ALA A 11 -3.087 3.771 3.183 1.00 0.00 C ATOM 108 O ALA A 11 -4.262 4.125 3.095 1.00 0.00 O ATOM 109 CB ALA A 11 -1.820 3.972 5.379 1.00 0.00 C ATOM 0 H ALA A 11 -2.533 6.305 5.121 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.144 4.598 3.461 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.440 2.958 5.254 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.082 4.574 5.910 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.746 3.944 5.953 1.00 0.00 H new ATOM 115 N PRO A 12 -2.570 2.663 2.587 1.00 0.00 N ATOM 116 CA PRO A 12 -3.403 1.792 1.776 1.00 0.00 C ATOM 117 C PRO A 12 -4.318 0.935 2.653 1.00 0.00 C ATOM 118 O PRO A 12 -4.049 0.748 3.839 1.00 0.00 O ATOM 119 CB PRO A 12 -2.426 0.968 0.953 1.00 0.00 C ATOM 120 CG PRO A 12 -1.087 1.076 1.665 1.00 0.00 C ATOM 121 CD PRO A 12 -1.184 2.213 2.669 1.00 0.00 C ATOM 0 HA PRO A 12 -4.083 2.345 1.127 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.750 -0.071 0.886 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.358 1.347 -0.067 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.846 0.140 2.170 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.288 1.266 0.949 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.936 1.875 3.675 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.491 3.018 2.424 1.00 0.00 H new ATOM 129 N GLN A 13 -5.380 0.438 2.037 1.00 0.00 N ATOM 130 CA GLN A 13 -6.335 -0.395 2.747 1.00 0.00 C ATOM 131 C GLN A 13 -6.897 -1.471 1.815 1.00 0.00 C ATOM 132 O GLN A 13 -6.755 -1.378 0.597 1.00 0.00 O ATOM 133 CB GLN A 13 -7.460 0.451 3.347 1.00 0.00 C ATOM 134 CG GLN A 13 -7.651 1.748 2.559 1.00 0.00 C ATOM 135 CD GLN A 13 -9.040 2.340 2.806 1.00 0.00 C ATOM 136 OE1 GLN A 13 -9.704 2.045 3.786 1.00 0.00 O ATOM 137 NE2 GLN A 13 -9.442 3.190 1.865 1.00 0.00 N ATOM 0 H GLN A 13 -5.600 0.596 1.054 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.817 -0.888 3.569 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.389 -0.119 3.346 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.230 0.684 4.387 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.887 2.470 2.849 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.518 1.554 1.495 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.837 3.394 1.069 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.355 3.638 1.939 1.00 0.00 H new ATOM 146 N HIS A 14 -7.523 -2.468 2.424 1.00 0.00 N ATOM 147 CA HIS A 14 -8.106 -3.560 1.664 1.00 0.00 C ATOM 148 C HIS A 14 -6.992 -4.402 1.037 1.00 0.00 C ATOM 149 O HIS A 14 -7.151 -4.927 -0.064 1.00 0.00 O ATOM 150 CB HIS A 14 -9.103 -3.032 0.631 1.00 0.00 C ATOM 151 CG HIS A 14 -10.239 -2.235 1.225 1.00 0.00 C ATOM 152 ND1 HIS A 14 -11.451 -2.804 1.577 1.00 0.00 N ATOM 153 CD2 HIS A 14 -10.335 -0.908 1.527 1.00 0.00 C ATOM 154 CE1 HIS A 14 -12.233 -1.854 2.066 1.00 0.00 C ATOM 155 NE2 HIS A 14 -11.540 -0.679 2.034 1.00 0.00 N ATOM 0 H HIS A 14 -7.639 -2.542 3.435 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.673 -4.209 2.331 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.571 -2.407 -0.086 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.515 -3.874 0.076 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -9.561 -0.169 1.379 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.242 -1.986 2.427 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -11.890 0.226 2.348 1.00 0.00 H new ATOM 163 N LEU A 15 -5.890 -4.504 1.766 1.00 0.00 N ATOM 164 CA LEU A 15 -4.751 -5.272 1.295 1.00 0.00 C ATOM 165 C LEU A 15 -4.889 -6.722 1.766 1.00 0.00 C ATOM 166 O LEU A 15 -4.834 -6.997 2.964 1.00 0.00 O ATOM 167 CB LEU A 15 -3.442 -4.608 1.726 1.00 0.00 C ATOM 168 CG LEU A 15 -2.157 -5.349 1.348 1.00 0.00 C ATOM 169 CD1 LEU A 15 -1.789 -5.094 -0.115 1.00 0.00 C ATOM 170 CD2 LEU A 15 -1.015 -4.986 2.298 1.00 0.00 C ATOM 0 H LEU A 15 -5.762 -4.067 2.679 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.729 -5.291 0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.404 -3.610 1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.461 -4.483 2.809 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.335 -6.419 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.873 -5.631 -0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.596 -5.442 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.636 -4.026 -0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.114 -5.526 2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.827 -3.913 2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.289 -5.259 3.317 1.00 0.00 H new ATOM 182 N THR A 16 -5.065 -7.610 0.799 1.00 0.00 N ATOM 183 CA THR A 16 -5.212 -9.024 1.100 1.00 0.00 C ATOM 184 C THR A 16 -4.520 -9.871 0.030 1.00 0.00 C ATOM 185 O THR A 16 -4.153 -9.363 -1.028 1.00 0.00 O ATOM 186 CB THR A 16 -6.705 -9.325 1.241 1.00 0.00 C ATOM 187 OG1 THR A 16 -7.321 -8.499 0.257 1.00 0.00 O ATOM 188 CG2 THR A 16 -7.282 -8.820 2.565 1.00 0.00 C ATOM 0 H THR A 16 -5.109 -7.378 -0.193 1.00 0.00 H new ATOM 0 HA THR A 16 -4.724 -9.281 2.040 1.00 0.00 H new ATOM 0 HB THR A 16 -6.867 -10.400 1.161 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.292 -8.633 0.278 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.344 -9.059 2.614 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.763 -9.300 3.395 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.150 -7.740 2.631 1.00 0.00 H new ATOM 196 N VAL A 17 -4.363 -11.149 0.343 1.00 0.00 N ATOM 197 CA VAL A 17 -3.721 -12.072 -0.578 1.00 0.00 C ATOM 198 C VAL A 17 -4.778 -12.683 -1.500 1.00 0.00 C ATOM 199 O VAL A 17 -5.704 -13.345 -1.035 1.00 0.00 O ATOM 200 CB VAL A 17 -2.928 -13.123 0.201 1.00 0.00 C ATOM 201 CG1 VAL A 17 -2.364 -14.191 -0.737 1.00 0.00 C ATOM 202 CG2 VAL A 17 -1.814 -12.471 1.023 1.00 0.00 C ATOM 0 H VAL A 17 -4.669 -11.567 1.221 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.004 -11.545 -1.208 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.612 -13.613 0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.805 -14.926 -0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.183 -14.687 -1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.702 -13.723 -1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.266 -13.240 1.567 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.132 -11.942 0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.249 -11.766 1.731 1.00 0.00 H new ATOM 212 N GLU A 18 -4.605 -12.438 -2.790 1.00 0.00 N ATOM 213 CA GLU A 18 -5.532 -12.956 -3.782 1.00 0.00 C ATOM 214 C GLU A 18 -5.135 -14.376 -4.190 1.00 0.00 C ATOM 215 O GLU A 18 -5.979 -15.267 -4.252 1.00 0.00 O ATOM 216 CB GLU A 18 -5.604 -12.034 -5.000 1.00 0.00 C ATOM 217 CG GLU A 18 -6.138 -10.654 -4.613 1.00 0.00 C ATOM 218 CD GLU A 18 -7.508 -10.764 -3.941 1.00 0.00 C ATOM 219 OE1 GLU A 18 -8.496 -10.918 -4.690 1.00 0.00 O ATOM 220 OE2 GLU A 18 -7.535 -10.693 -2.694 1.00 0.00 O ATOM 0 H GLU A 18 -3.836 -11.887 -3.172 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.526 -12.992 -3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.613 -11.933 -5.443 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.249 -12.478 -5.759 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.436 -10.165 -3.938 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.214 -10.027 -5.502 1.00 0.00 H new ATOM 227 N ASP A 19 -3.848 -14.541 -4.459 1.00 0.00 N ATOM 228 CA ASP A 19 -3.328 -15.837 -4.860 1.00 0.00 C ATOM 229 C ASP A 19 -1.903 -15.998 -4.325 1.00 0.00 C ATOM 230 O ASP A 19 -1.204 -15.010 -4.105 1.00 0.00 O ATOM 231 CB ASP A 19 -3.278 -15.963 -6.384 1.00 0.00 C ATOM 232 CG ASP A 19 -3.145 -17.393 -6.910 1.00 0.00 C ATOM 233 OD1 ASP A 19 -1.987 -17.847 -7.035 1.00 0.00 O ATOM 234 OD2 ASP A 19 -4.205 -18.001 -7.177 1.00 0.00 O ATOM 0 H ASP A 19 -3.150 -13.799 -4.407 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.988 -16.605 -4.456 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.184 -15.522 -6.800 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.438 -15.376 -6.755 1.00 0.00 H new ATOM 239 N VAL A 20 -1.515 -17.250 -4.133 1.00 0.00 N ATOM 240 CA VAL A 20 -0.186 -17.553 -3.628 1.00 0.00 C ATOM 241 C VAL A 20 0.425 -18.682 -4.460 1.00 0.00 C ATOM 242 O VAL A 20 -0.170 -19.749 -4.598 1.00 0.00 O ATOM 243 CB VAL A 20 -0.255 -17.880 -2.135 1.00 0.00 C ATOM 244 CG1 VAL A 20 1.108 -18.332 -1.610 1.00 0.00 C ATOM 245 CG2 VAL A 20 -0.783 -16.687 -1.336 1.00 0.00 C ATOM 0 H VAL A 20 -2.097 -18.067 -4.318 1.00 0.00 H new ATOM 0 HA VAL A 20 0.467 -16.686 -3.727 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.955 -18.706 -2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.031 -18.558 -0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.428 -19.224 -2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.838 -17.536 -1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.822 -16.946 -0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.120 -15.833 -1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.784 -16.430 -1.684 1.00 0.00 H new ATOM 255 N THR A 21 1.607 -18.407 -4.993 1.00 0.00 N ATOM 256 CA THR A 21 2.306 -19.387 -5.808 1.00 0.00 C ATOM 257 C THR A 21 3.381 -20.097 -4.983 1.00 0.00 C ATOM 258 O THR A 21 3.307 -20.128 -3.755 1.00 0.00 O ATOM 259 CB THR A 21 2.861 -18.668 -7.039 1.00 0.00 C ATOM 260 OG1 THR A 21 2.056 -17.498 -7.151 1.00 0.00 O ATOM 261 CG2 THR A 21 2.590 -19.432 -8.336 1.00 0.00 C ATOM 0 H THR A 21 2.098 -17.521 -4.877 1.00 0.00 H new ATOM 0 HA THR A 21 1.631 -20.172 -6.149 1.00 0.00 H new ATOM 0 HB THR A 21 3.935 -18.524 -6.920 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.361 -16.828 -6.504 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.005 -18.878 -9.178 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.057 -20.415 -8.283 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.515 -19.548 -8.472 1.00 0.00 H new ATOM 269 N ASP A 22 4.355 -20.650 -5.690 1.00 0.00 N ATOM 270 CA ASP A 22 5.444 -21.358 -5.039 1.00 0.00 C ATOM 271 C ASP A 22 6.544 -20.362 -4.666 1.00 0.00 C ATOM 272 O ASP A 22 7.052 -20.384 -3.546 1.00 0.00 O ATOM 273 CB ASP A 22 6.053 -22.409 -5.969 1.00 0.00 C ATOM 274 CG ASP A 22 5.039 -23.238 -6.760 1.00 0.00 C ATOM 275 OD1 ASP A 22 4.306 -22.623 -7.564 1.00 0.00 O ATOM 276 OD2 ASP A 22 5.020 -24.469 -6.543 1.00 0.00 O ATOM 0 H ASP A 22 4.413 -20.622 -6.708 1.00 0.00 H new ATOM 0 HA ASP A 22 5.043 -21.850 -4.153 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.718 -21.908 -6.673 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.668 -23.085 -5.375 1.00 0.00 H new ATOM 281 N THR A 23 6.878 -19.512 -5.625 1.00 0.00 N ATOM 282 CA THR A 23 7.908 -18.510 -5.412 1.00 0.00 C ATOM 283 C THR A 23 7.370 -17.115 -5.734 1.00 0.00 C ATOM 284 O THR A 23 8.133 -16.154 -5.814 1.00 0.00 O ATOM 285 CB THR A 23 9.128 -18.899 -6.250 1.00 0.00 C ATOM 286 OG1 THR A 23 8.573 -19.338 -7.487 1.00 0.00 O ATOM 287 CG2 THR A 23 9.844 -20.136 -5.703 1.00 0.00 C ATOM 0 H THR A 23 6.453 -19.496 -6.552 1.00 0.00 H new ATOM 0 HA THR A 23 8.213 -18.473 -4.366 1.00 0.00 H new ATOM 0 HB THR A 23 9.826 -18.062 -6.286 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.295 -19.608 -8.092 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.702 -20.369 -6.334 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.184 -19.940 -4.686 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.157 -20.982 -5.698 1.00 0.00 H new ATOM 295 N THR A 24 6.058 -17.048 -5.910 1.00 0.00 N ATOM 296 CA THR A 24 5.409 -15.786 -6.222 1.00 0.00 C ATOM 297 C THR A 24 4.061 -15.688 -5.503 1.00 0.00 C ATOM 298 O THR A 24 3.457 -16.706 -5.169 1.00 0.00 O ATOM 299 CB THR A 24 5.295 -15.676 -7.744 1.00 0.00 C ATOM 300 OG1 THR A 24 4.992 -17.003 -8.166 1.00 0.00 O ATOM 301 CG2 THR A 24 6.637 -15.370 -8.410 1.00 0.00 C ATOM 0 H THR A 24 5.427 -17.847 -5.842 1.00 0.00 H new ATOM 0 HA THR A 24 5.996 -14.940 -5.864 1.00 0.00 H new ATOM 0 HB THR A 24 4.577 -14.897 -7.999 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.899 -17.023 -9.141 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.501 -15.302 -9.489 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.023 -14.423 -8.033 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.346 -16.166 -8.183 1.00 0.00 H new ATOM 309 N THR A 25 3.631 -14.454 -5.287 1.00 0.00 N ATOM 310 CA THR A 25 2.366 -14.210 -4.614 1.00 0.00 C ATOM 311 C THR A 25 1.671 -12.986 -5.213 1.00 0.00 C ATOM 312 O THR A 25 2.310 -12.160 -5.863 1.00 0.00 O ATOM 313 CB THR A 25 2.646 -14.076 -3.115 1.00 0.00 C ATOM 314 OG1 THR A 25 2.840 -15.418 -2.677 1.00 0.00 O ATOM 315 CG2 THR A 25 1.421 -13.600 -2.331 1.00 0.00 C ATOM 0 H THR A 25 4.135 -13.612 -5.566 1.00 0.00 H new ATOM 0 HA THR A 25 1.675 -15.041 -4.758 1.00 0.00 H new ATOM 0 HB THR A 25 3.469 -13.378 -2.960 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.788 -15.653 -2.753 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.674 -13.522 -1.274 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.108 -12.624 -2.702 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.608 -14.314 -2.458 1.00 0.00 H new ATOM 323 N THR A 26 0.370 -12.909 -4.974 1.00 0.00 N ATOM 324 CA THR A 26 -0.420 -11.800 -5.483 1.00 0.00 C ATOM 325 C THR A 26 -1.009 -10.990 -4.326 1.00 0.00 C ATOM 326 O THR A 26 -1.353 -11.548 -3.285 1.00 0.00 O ATOM 327 CB THR A 26 -1.480 -12.369 -6.429 1.00 0.00 C ATOM 328 OG1 THR A 26 -0.725 -13.069 -7.414 1.00 0.00 O ATOM 329 CG2 THR A 26 -2.205 -11.278 -7.219 1.00 0.00 C ATOM 0 H THR A 26 -0.157 -13.596 -4.435 1.00 0.00 H new ATOM 0 HA THR A 26 0.197 -11.101 -6.047 1.00 0.00 H new ATOM 0 HB THR A 26 -2.207 -12.945 -5.857 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.334 -13.472 -8.068 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.946 -11.735 -7.875 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.702 -10.598 -6.528 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.484 -10.723 -7.818 1.00 0.00 H new ATOM 337 N LEU A 27 -1.108 -9.688 -4.548 1.00 0.00 N ATOM 338 CA LEU A 27 -1.650 -8.796 -3.537 1.00 0.00 C ATOM 339 C LEU A 27 -2.653 -7.842 -4.189 1.00 0.00 C ATOM 340 O LEU A 27 -2.519 -7.503 -5.364 1.00 0.00 O ATOM 341 CB LEU A 27 -0.521 -8.084 -2.790 1.00 0.00 C ATOM 342 CG LEU A 27 0.408 -8.979 -1.967 1.00 0.00 C ATOM 343 CD1 LEU A 27 1.752 -8.292 -1.718 1.00 0.00 C ATOM 344 CD2 LEU A 27 -0.263 -9.415 -0.664 1.00 0.00 C ATOM 0 H LEU A 27 -0.822 -9.229 -5.413 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.194 -9.363 -2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.082 -7.539 -3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.963 -7.343 -2.124 1.00 0.00 H new ATOM 0 HG LEU A 27 0.610 -9.882 -2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.393 -8.949 -1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.232 -8.074 -2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.590 -7.362 -1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.419 -10.050 -0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.515 -8.535 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.172 -9.971 -0.891 1.00 0.00 H new ATOM 356 N LYS A 28 -3.636 -7.437 -3.399 1.00 0.00 N ATOM 357 CA LYS A 28 -4.662 -6.529 -3.885 1.00 0.00 C ATOM 358 C LYS A 28 -5.037 -5.549 -2.772 1.00 0.00 C ATOM 359 O LYS A 28 -5.552 -5.953 -1.731 1.00 0.00 O ATOM 360 CB LYS A 28 -5.852 -7.313 -4.441 1.00 0.00 C ATOM 361 CG LYS A 28 -6.435 -6.622 -5.675 1.00 0.00 C ATOM 362 CD LYS A 28 -6.130 -7.417 -6.946 1.00 0.00 C ATOM 363 CE LYS A 28 -5.093 -6.694 -7.809 1.00 0.00 C ATOM 364 NZ LYS A 28 -4.890 -7.413 -9.086 1.00 0.00 N ATOM 0 H LYS A 28 -3.744 -7.721 -2.425 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.283 -5.937 -4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.537 -8.324 -4.701 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.621 -7.406 -3.674 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.513 -6.514 -5.560 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.022 -5.617 -5.763 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.760 -8.407 -6.680 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.047 -7.562 -7.518 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.423 -5.674 -8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.148 -6.624 -7.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.184 -6.909 -9.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.554 -8.378 -8.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.790 -7.458 -9.606 1.00 0.00 H new ATOM 378 N TRP A 29 -4.766 -4.278 -3.030 1.00 0.00 N ATOM 379 CA TRP A 29 -5.069 -3.236 -2.063 1.00 0.00 C ATOM 380 C TRP A 29 -5.999 -2.224 -2.735 1.00 0.00 C ATOM 381 O TRP A 29 -6.313 -2.353 -3.917 1.00 0.00 O ATOM 382 CB TRP A 29 -3.787 -2.602 -1.521 1.00 0.00 C ATOM 383 CG TRP A 29 -3.002 -1.799 -2.559 1.00 0.00 C ATOM 384 CD1 TRP A 29 -3.320 -0.614 -3.099 1.00 0.00 C ATOM 385 CD2 TRP A 29 -1.746 -2.171 -3.165 1.00 0.00 C ATOM 386 NE1 TRP A 29 -2.366 -0.198 -4.005 1.00 0.00 N ATOM 387 CE2 TRP A 29 -1.378 -1.175 -4.046 1.00 0.00 C ATOM 388 CE3 TRP A 29 -0.947 -3.313 -2.975 1.00 0.00 C ATOM 389 CZ2 TRP A 29 -0.204 -1.220 -4.807 1.00 0.00 C ATOM 390 CZ3 TRP A 29 0.223 -3.342 -3.742 1.00 0.00 C ATOM 391 CH2 TRP A 29 0.608 -2.348 -4.634 1.00 0.00 C ATOM 0 H TRP A 29 -4.340 -3.946 -3.895 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.578 -3.652 -1.193 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.042 -1.947 -0.688 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.145 -3.388 -1.124 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.211 -0.055 -2.855 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.383 0.667 -4.545 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.215 -4.105 -2.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.061 -0.427 -5.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.873 -4.198 -3.633 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.528 -2.445 -5.191 1.00 0.00 H new ATOM 402 N ARG A 30 -6.413 -1.238 -1.952 1.00 0.00 N ATOM 403 CA ARG A 30 -7.300 -0.204 -2.457 1.00 0.00 C ATOM 404 C ARG A 30 -6.699 1.180 -2.206 1.00 0.00 C ATOM 405 O ARG A 30 -5.866 1.347 -1.316 1.00 0.00 O ATOM 406 CB ARG A 30 -8.674 -0.284 -1.789 1.00 0.00 C ATOM 407 CG ARG A 30 -9.516 -1.406 -2.399 1.00 0.00 C ATOM 408 CD ARG A 30 -11.006 -1.183 -2.130 1.00 0.00 C ATOM 409 NE ARG A 30 -11.688 -2.483 -1.946 1.00 0.00 N ATOM 410 CZ ARG A 30 -13.006 -2.669 -2.103 1.00 0.00 C ATOM 411 NH1 ARG A 30 -13.791 -1.639 -2.447 1.00 0.00 N ATOM 412 NH2 ARG A 30 -13.538 -3.884 -1.916 1.00 0.00 N ATOM 0 H ARG A 30 -6.150 -1.134 -0.972 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.419 -0.363 -3.529 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.553 -0.456 -0.719 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.193 0.668 -1.902 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.340 -1.454 -3.474 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.207 -2.365 -1.982 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.135 -0.566 -1.240 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.457 -0.641 -2.961 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.120 -3.288 -1.683 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.385 -0.714 -2.589 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.794 -1.780 -2.567 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.940 -4.668 -1.654 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.541 -4.025 -2.035 1.00 0.00 H new ATOM 426 N PRO A 31 -7.155 2.162 -3.029 1.00 0.00 N ATOM 427 CA PRO A 31 -6.671 3.527 -2.905 1.00 0.00 C ATOM 428 C PRO A 31 -7.283 4.217 -1.684 1.00 0.00 C ATOM 429 O PRO A 31 -8.303 3.772 -1.161 1.00 0.00 O ATOM 430 CB PRO A 31 -7.046 4.197 -4.217 1.00 0.00 C ATOM 431 CG PRO A 31 -8.129 3.328 -4.835 1.00 0.00 C ATOM 432 CD PRO A 31 -8.140 2.001 -4.094 1.00 0.00 C ATOM 0 HA PRO A 31 -5.595 3.579 -2.740 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.408 5.211 -4.048 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.182 4.273 -4.877 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.100 3.816 -4.758 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.934 3.171 -5.896 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.128 1.782 -3.689 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.876 1.176 -4.756 1.00 0.00 H new ATOM 440 N PRO A 32 -6.616 5.322 -1.255 1.00 0.00 N ATOM 441 CA PRO A 32 -7.083 6.078 -0.105 1.00 0.00 C ATOM 442 C PRO A 32 -8.312 6.916 -0.463 1.00 0.00 C ATOM 443 O PRO A 32 -8.770 6.897 -1.605 1.00 0.00 O ATOM 444 CB PRO A 32 -5.892 6.921 0.321 1.00 0.00 C ATOM 445 CG PRO A 32 -4.956 6.956 -0.876 1.00 0.00 C ATOM 446 CD PRO A 32 -5.404 5.878 -1.850 1.00 0.00 C ATOM 0 HA PRO A 32 -7.414 5.439 0.713 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.206 7.927 0.601 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.398 6.488 1.191 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.982 7.936 -1.353 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.927 6.782 -0.561 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.603 6.294 -2.838 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.637 5.113 -1.975 1.00 0.00 H new ATOM 454 N ASP A 33 -8.811 7.632 0.534 1.00 0.00 N ATOM 455 CA ASP A 33 -9.978 8.476 0.339 1.00 0.00 C ATOM 456 C ASP A 33 -9.549 9.944 0.357 1.00 0.00 C ATOM 457 O ASP A 33 -10.223 10.799 -0.216 1.00 0.00 O ATOM 458 CB ASP A 33 -11.001 8.268 1.457 1.00 0.00 C ATOM 459 CG ASP A 33 -12.461 8.245 1.002 1.00 0.00 C ATOM 460 OD1 ASP A 33 -12.690 7.812 -0.148 1.00 0.00 O ATOM 461 OD2 ASP A 33 -13.315 8.662 1.814 1.00 0.00 O ATOM 0 H ASP A 33 -8.428 7.645 1.479 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.430 8.211 -0.617 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.779 7.328 1.962 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.878 9.062 2.194 1.00 0.00 H new ATOM 466 N ARG A 34 -8.430 10.193 1.021 1.00 0.00 N ATOM 467 CA ARG A 34 -7.903 11.543 1.121 1.00 0.00 C ATOM 468 C ARG A 34 -6.570 11.649 0.377 1.00 0.00 C ATOM 469 O ARG A 34 -5.510 11.693 1.000 1.00 0.00 O ATOM 470 CB ARG A 34 -7.698 11.948 2.582 1.00 0.00 C ATOM 471 CG ARG A 34 -8.908 12.719 3.112 1.00 0.00 C ATOM 472 CD ARG A 34 -9.852 11.796 3.885 1.00 0.00 C ATOM 473 NE ARG A 34 -10.280 12.446 5.143 1.00 0.00 N ATOM 474 CZ ARG A 34 -11.206 13.411 5.213 1.00 0.00 C ATOM 475 NH1 ARG A 34 -11.808 13.844 4.096 1.00 0.00 N ATOM 476 NH2 ARG A 34 -11.531 13.944 6.399 1.00 0.00 N ATOM 0 H ARG A 34 -7.873 9.482 1.495 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.630 12.217 0.668 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.534 11.058 3.190 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.803 12.564 2.670 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.572 13.528 3.761 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.443 13.179 2.281 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.723 11.559 3.274 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.352 10.853 4.106 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.842 12.140 6.012 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.561 13.438 3.193 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.513 14.579 4.149 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.073 13.615 7.249 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.236 14.679 6.452 1.00 0.00 H new ATOM 490 N ILE A 35 -6.667 11.688 -0.943 1.00 0.00 N ATOM 491 CA ILE A 35 -5.482 11.788 -1.778 1.00 0.00 C ATOM 492 C ILE A 35 -4.735 13.081 -1.443 1.00 0.00 C ATOM 493 O ILE A 35 -3.637 13.042 -0.890 1.00 0.00 O ATOM 494 CB ILE A 35 -5.855 11.659 -3.256 1.00 0.00 C ATOM 495 CG1 ILE A 35 -6.616 10.358 -3.518 1.00 0.00 C ATOM 496 CG2 ILE A 35 -4.618 11.789 -4.147 1.00 0.00 C ATOM 497 CD1 ILE A 35 -5.659 9.167 -3.588 1.00 0.00 C ATOM 0 H ILE A 35 -7.548 11.652 -1.456 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.800 10.963 -1.572 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.524 12.480 -3.512 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.348 10.195 -2.727 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.170 10.439 -4.453 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.911 11.694 -5.193 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.155 12.763 -3.987 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.905 11.003 -3.897 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.226 8.255 -3.775 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.944 9.322 -4.396 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.124 9.074 -2.643 1.00 0.00 H new ATOM 509 N GLY A 36 -5.360 14.195 -1.792 1.00 0.00 N ATOM 510 CA GLY A 36 -4.769 15.497 -1.535 1.00 0.00 C ATOM 511 C GLY A 36 -4.655 16.312 -2.825 1.00 0.00 C ATOM 512 O GLY A 36 -5.649 16.847 -3.315 1.00 0.00 O ATOM 0 H GLY A 36 -6.270 14.223 -2.251 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.376 16.039 -0.810 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.781 15.371 -1.092 1.00 0.00 H new ATOM 516 N ALA A 37 -3.436 16.382 -3.338 1.00 0.00 N ATOM 517 CA ALA A 37 -3.179 17.123 -4.561 1.00 0.00 C ATOM 518 C ALA A 37 -2.185 16.344 -5.425 1.00 0.00 C ATOM 519 O ALA A 37 -1.450 15.496 -4.921 1.00 0.00 O ATOM 520 CB ALA A 37 -2.676 18.525 -4.213 1.00 0.00 C ATOM 0 H ALA A 37 -2.614 15.937 -2.929 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.096 17.240 -5.138 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.483 19.081 -5.131 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.431 19.047 -3.625 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.755 18.448 -3.635 1.00 0.00 H new ATOM 526 N GLY A 38 -2.194 16.660 -6.712 1.00 0.00 N ATOM 527 CA GLY A 38 -1.302 16.000 -7.650 1.00 0.00 C ATOM 528 C GLY A 38 -1.773 14.575 -7.946 1.00 0.00 C ATOM 529 O GLY A 38 -2.110 14.253 -9.085 1.00 0.00 O ATOM 0 H GLY A 38 -2.805 17.364 -7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.256 16.571 -8.577 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.292 15.975 -7.241 1.00 0.00 H new ATOM 533 N GLY A 39 -1.783 13.760 -6.902 1.00 0.00 N ATOM 534 CA GLY A 39 -2.208 12.377 -7.035 1.00 0.00 C ATOM 535 C GLY A 39 -1.082 11.418 -6.646 1.00 0.00 C ATOM 536 O GLY A 39 0.077 11.642 -6.992 1.00 0.00 O ATOM 0 H GLY A 39 -1.503 14.031 -5.959 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.078 12.198 -6.403 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.516 12.185 -8.063 1.00 0.00 H new ATOM 540 N ILE A 40 -1.462 10.369 -5.931 1.00 0.00 N ATOM 541 CA ILE A 40 -0.499 9.374 -5.491 1.00 0.00 C ATOM 542 C ILE A 40 0.417 9.006 -6.659 1.00 0.00 C ATOM 543 O ILE A 40 -0.011 9.005 -7.812 1.00 0.00 O ATOM 544 CB ILE A 40 -1.215 8.174 -4.868 1.00 0.00 C ATOM 545 CG1 ILE A 40 -0.221 7.246 -4.167 1.00 0.00 C ATOM 546 CG2 ILE A 40 -2.052 7.433 -5.912 1.00 0.00 C ATOM 547 CD1 ILE A 40 -0.925 6.376 -3.124 1.00 0.00 C ATOM 0 H ILE A 40 -2.424 10.187 -5.645 1.00 0.00 H new ATOM 0 HA ILE A 40 0.136 9.780 -4.704 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.902 8.544 -4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.271 6.611 -4.904 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.558 7.838 -3.686 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.550 6.585 -5.443 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.800 8.110 -6.326 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.403 7.076 -6.712 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.196 5.726 -2.641 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.395 7.014 -2.375 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.687 5.768 -3.612 1.00 0.00 H new ATOM 559 N ASP A 41 1.661 8.700 -6.321 1.00 0.00 N ATOM 560 CA ASP A 41 2.642 8.331 -7.328 1.00 0.00 C ATOM 561 C ASP A 41 2.619 6.813 -7.522 1.00 0.00 C ATOM 562 O ASP A 41 2.778 6.324 -8.640 1.00 0.00 O ATOM 563 CB ASP A 41 4.053 8.731 -6.895 1.00 0.00 C ATOM 564 CG ASP A 41 4.597 9.999 -7.556 1.00 0.00 C ATOM 565 OD1 ASP A 41 4.242 10.222 -8.734 1.00 0.00 O ATOM 566 OD2 ASP A 41 5.354 10.718 -6.869 1.00 0.00 O ATOM 0 H ASP A 41 2.012 8.700 -5.363 1.00 0.00 H new ATOM 0 HA ASP A 41 2.389 8.850 -8.253 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.059 8.872 -5.814 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.731 7.906 -7.113 1.00 0.00 H new ATOM 571 N GLY A 42 2.421 6.110 -6.417 1.00 0.00 N ATOM 572 CA GLY A 42 2.375 4.658 -6.452 1.00 0.00 C ATOM 573 C GLY A 42 2.571 4.070 -5.053 1.00 0.00 C ATOM 574 O GLY A 42 2.613 4.804 -4.067 1.00 0.00 O ATOM 0 H GLY A 42 2.291 6.519 -5.492 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.418 4.330 -6.857 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.150 4.282 -7.120 1.00 0.00 H new ATOM 578 N TYR A 43 2.685 2.751 -5.011 1.00 0.00 N ATOM 579 CA TYR A 43 2.875 2.055 -3.750 1.00 0.00 C ATOM 580 C TYR A 43 4.118 1.164 -3.796 1.00 0.00 C ATOM 581 O TYR A 43 4.427 0.577 -4.832 1.00 0.00 O ATOM 582 CB TYR A 43 1.638 1.175 -3.563 1.00 0.00 C ATOM 583 CG TYR A 43 0.432 1.912 -2.978 1.00 0.00 C ATOM 584 CD1 TYR A 43 0.337 2.107 -1.615 1.00 0.00 C ATOM 585 CD2 TYR A 43 -0.560 2.383 -3.813 1.00 0.00 C ATOM 586 CE1 TYR A 43 -0.799 2.801 -1.064 1.00 0.00 C ATOM 587 CE2 TYR A 43 -1.695 3.078 -3.262 1.00 0.00 C ATOM 588 CZ TYR A 43 -1.759 3.252 -1.915 1.00 0.00 C ATOM 589 OH TYR A 43 -2.831 3.908 -1.395 1.00 0.00 O ATOM 0 H TYR A 43 2.649 2.145 -5.831 1.00 0.00 H new ATOM 0 HA TYR A 43 3.008 2.767 -2.936 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.358 0.750 -4.527 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.893 0.341 -2.909 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.114 1.739 -0.961 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.486 2.231 -4.880 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.886 2.959 0.001 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.478 3.453 -3.905 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.563 4.374 -0.575 1.00 0.00 H new ATOM 599 N LEU A 44 4.798 1.091 -2.661 1.00 0.00 N ATOM 600 CA LEU A 44 6.001 0.282 -2.560 1.00 0.00 C ATOM 601 C LEU A 44 5.693 -0.982 -1.755 1.00 0.00 C ATOM 602 O LEU A 44 5.296 -0.902 -0.593 1.00 0.00 O ATOM 603 CB LEU A 44 7.156 1.108 -1.990 1.00 0.00 C ATOM 604 CG LEU A 44 8.052 1.805 -3.016 1.00 0.00 C ATOM 605 CD1 LEU A 44 9.213 2.526 -2.329 1.00 0.00 C ATOM 606 CD2 LEU A 44 8.539 0.818 -4.079 1.00 0.00 C ATOM 0 H LEU A 44 4.539 1.579 -1.804 1.00 0.00 H new ATOM 0 HA LEU A 44 6.328 -0.040 -3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.741 1.866 -1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.778 0.454 -1.379 1.00 0.00 H new ATOM 0 HG LEU A 44 7.459 2.563 -3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.835 3.013 -3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.820 3.275 -1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.813 1.804 -1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.174 1.339 -4.796 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.109 0.021 -3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.681 0.390 -4.598 1.00 0.00 H new ATOM 618 N VAL A 45 5.887 -2.121 -2.405 1.00 0.00 N ATOM 619 CA VAL A 45 5.635 -3.400 -1.764 1.00 0.00 C ATOM 620 C VAL A 45 6.946 -3.949 -1.197 1.00 0.00 C ATOM 621 O VAL A 45 7.980 -3.904 -1.861 1.00 0.00 O ATOM 622 CB VAL A 45 4.963 -4.357 -2.751 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.351 -5.555 -2.024 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.912 -3.629 -3.591 1.00 0.00 C ATOM 0 H VAL A 45 6.216 -2.184 -3.369 1.00 0.00 H new ATOM 0 HA VAL A 45 4.945 -3.279 -0.929 1.00 0.00 H new ATOM 0 HB VAL A 45 5.730 -4.733 -3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.880 -6.219 -2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.133 -6.096 -1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.603 -5.205 -1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.450 -4.332 -4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.148 -3.210 -2.935 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.388 -2.825 -4.153 1.00 0.00 H new ATOM 634 N GLU A 46 6.859 -4.454 0.025 1.00 0.00 N ATOM 635 CA GLU A 46 8.026 -5.011 0.688 1.00 0.00 C ATOM 636 C GLU A 46 7.606 -6.110 1.666 1.00 0.00 C ATOM 637 O GLU A 46 6.514 -6.061 2.229 1.00 0.00 O ATOM 638 CB GLU A 46 8.825 -3.918 1.401 1.00 0.00 C ATOM 639 CG GLU A 46 8.872 -2.639 0.564 1.00 0.00 C ATOM 640 CD GLU A 46 9.599 -1.520 1.313 1.00 0.00 C ATOM 641 OE1 GLU A 46 10.481 -1.863 2.130 1.00 0.00 O ATOM 642 OE2 GLU A 46 9.256 -0.346 1.052 1.00 0.00 O ATOM 0 H GLU A 46 5.999 -4.489 0.573 1.00 0.00 H new ATOM 0 HA GLU A 46 8.674 -5.453 -0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.374 -3.706 2.370 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.839 -4.270 1.592 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.378 -2.837 -0.381 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.858 -2.321 0.322 1.00 0.00 H new ATOM 649 N TYR A 47 8.497 -7.076 1.839 1.00 0.00 N ATOM 650 CA TYR A 47 8.232 -8.186 2.739 1.00 0.00 C ATOM 651 C TYR A 47 9.398 -8.396 3.707 1.00 0.00 C ATOM 652 O TYR A 47 10.547 -8.112 3.371 1.00 0.00 O ATOM 653 CB TYR A 47 8.091 -9.424 1.852 1.00 0.00 C ATOM 654 CG TYR A 47 9.370 -9.800 1.100 1.00 0.00 C ATOM 655 CD1 TYR A 47 10.321 -10.594 1.710 1.00 0.00 C ATOM 656 CD2 TYR A 47 9.573 -9.346 -0.187 1.00 0.00 C ATOM 657 CE1 TYR A 47 11.524 -10.948 1.003 1.00 0.00 C ATOM 658 CE2 TYR A 47 10.776 -9.700 -0.894 1.00 0.00 C ATOM 659 CZ TYR A 47 11.693 -10.483 -0.264 1.00 0.00 C ATOM 660 OH TYR A 47 12.829 -10.818 -0.932 1.00 0.00 O ATOM 0 H TYR A 47 9.403 -7.113 1.371 1.00 0.00 H new ATOM 0 HA TYR A 47 7.338 -7.994 3.333 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.784 -10.268 2.470 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.294 -9.251 1.129 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.162 -10.949 2.717 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.829 -8.725 -0.664 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.275 -11.569 1.468 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.947 -9.352 -1.902 1.00 0.00 H new ATOM 0 HH TYR A 47 12.813 -10.417 -1.826 1.00 0.00 H new ATOM 670 N CYS A 48 9.063 -8.892 4.888 1.00 0.00 N ATOM 671 CA CYS A 48 10.068 -9.144 5.907 1.00 0.00 C ATOM 672 C CYS A 48 9.988 -10.619 6.306 1.00 0.00 C ATOM 673 O CYS A 48 8.970 -11.070 6.830 1.00 0.00 O ATOM 674 CB CYS A 48 9.897 -8.217 7.112 1.00 0.00 C ATOM 675 SG CYS A 48 10.967 -8.774 8.488 1.00 0.00 S ATOM 0 H CYS A 48 8.109 -9.127 5.163 1.00 0.00 H new ATOM 0 HA CYS A 48 11.058 -8.930 5.505 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.152 -7.194 6.833 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.855 -8.210 7.431 1.00 0.00 H new ATOM 0 HG CYS A 48 10.910 -7.911 9.459 1.00 0.00 H new ATOM 681 N LEU A 49 11.075 -11.330 6.044 1.00 0.00 N ATOM 682 CA LEU A 49 11.140 -12.745 6.369 1.00 0.00 C ATOM 683 C LEU A 49 11.036 -12.920 7.886 1.00 0.00 C ATOM 684 O LEU A 49 11.662 -12.182 8.644 1.00 0.00 O ATOM 685 CB LEU A 49 12.394 -13.377 5.762 1.00 0.00 C ATOM 686 CG LEU A 49 12.413 -13.498 4.237 1.00 0.00 C ATOM 687 CD1 LEU A 49 13.750 -13.021 3.666 1.00 0.00 C ATOM 688 CD2 LEU A 49 12.077 -14.923 3.796 1.00 0.00 C ATOM 0 H LEU A 49 11.918 -10.953 5.610 1.00 0.00 H new ATOM 0 HA LEU A 49 10.297 -13.277 5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.259 -12.790 6.071 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.517 -14.373 6.187 1.00 0.00 H new ATOM 0 HG LEU A 49 11.639 -12.845 3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.737 -13.118 2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 49 13.909 -11.977 3.936 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.558 -13.628 4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.097 -14.981 2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.811 -15.615 4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 49 11.083 -15.190 4.155 1.00 0.00 H new ATOM 700 N GLU A 50 10.240 -13.902 8.282 1.00 0.00 N ATOM 701 CA GLU A 50 10.045 -14.184 9.694 1.00 0.00 C ATOM 702 C GLU A 50 11.395 -14.272 10.409 1.00 0.00 C ATOM 703 O GLU A 50 12.203 -15.149 10.111 1.00 0.00 O ATOM 704 CB GLU A 50 9.236 -15.468 9.891 1.00 0.00 C ATOM 705 CG GLU A 50 8.782 -15.612 11.345 1.00 0.00 C ATOM 706 CD GLU A 50 8.670 -17.086 11.740 1.00 0.00 C ATOM 707 OE1 GLU A 50 9.739 -17.702 11.941 1.00 0.00 O ATOM 708 OE2 GLU A 50 7.518 -17.562 11.834 1.00 0.00 O ATOM 0 H GLU A 50 9.722 -14.512 7.650 1.00 0.00 H new ATOM 0 HA GLU A 50 9.476 -13.364 10.132 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.366 -15.459 9.234 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.840 -16.330 9.608 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.490 -15.108 12.003 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.818 -15.121 11.479 1.00 0.00 H new ATOM 715 N GLY A 51 11.598 -13.349 11.339 1.00 0.00 N ATOM 716 CA GLY A 51 12.836 -13.312 12.098 1.00 0.00 C ATOM 717 C GLY A 51 13.696 -12.116 11.684 1.00 0.00 C ATOM 718 O GLY A 51 14.528 -11.647 12.460 1.00 0.00 O ATOM 0 H GLY A 51 10.926 -12.622 11.583 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.612 -13.253 13.163 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.392 -14.236 11.940 1.00 0.00 H new ATOM 722 N SER A 52 13.467 -11.657 10.463 1.00 0.00 N ATOM 723 CA SER A 52 14.211 -10.525 9.936 1.00 0.00 C ATOM 724 C SER A 52 13.610 -9.217 10.455 1.00 0.00 C ATOM 725 O SER A 52 12.445 -9.178 10.848 1.00 0.00 O ATOM 726 CB SER A 52 14.220 -10.536 8.407 1.00 0.00 C ATOM 727 OG SER A 52 14.664 -9.294 7.867 1.00 0.00 O ATOM 0 H SER A 52 12.776 -12.048 9.823 1.00 0.00 H new ATOM 0 HA SER A 52 15.243 -10.604 10.278 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.869 -11.338 8.054 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.217 -10.753 8.040 1.00 0.00 H new ATOM 0 HG SER A 52 13.964 -8.918 7.294 1.00 0.00 H new ATOM 733 N GLU A 53 14.431 -8.178 10.438 1.00 0.00 N ATOM 734 CA GLU A 53 13.995 -6.872 10.902 1.00 0.00 C ATOM 735 C GLU A 53 14.120 -5.841 9.778 1.00 0.00 C ATOM 736 O GLU A 53 14.041 -4.638 10.022 1.00 0.00 O ATOM 737 CB GLU A 53 14.787 -6.436 12.136 1.00 0.00 C ATOM 738 CG GLU A 53 14.012 -5.393 12.944 1.00 0.00 C ATOM 739 CD GLU A 53 14.332 -5.506 14.436 1.00 0.00 C ATOM 740 OE1 GLU A 53 13.819 -6.462 15.056 1.00 0.00 O ATOM 741 OE2 GLU A 53 15.084 -4.633 14.922 1.00 0.00 O ATOM 0 H GLU A 53 15.396 -8.214 10.110 1.00 0.00 H new ATOM 0 HA GLU A 53 12.946 -6.942 11.190 1.00 0.00 H new ATOM 0 HB2 GLU A 53 14.998 -7.303 12.762 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.748 -6.023 11.829 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.263 -4.393 12.589 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.942 -5.528 12.787 1.00 0.00 H new ATOM 748 N GLU A 54 14.314 -6.350 8.570 1.00 0.00 N ATOM 749 CA GLU A 54 14.450 -5.489 7.408 1.00 0.00 C ATOM 750 C GLU A 54 13.468 -5.913 6.314 1.00 0.00 C ATOM 751 O GLU A 54 13.441 -7.077 5.917 1.00 0.00 O ATOM 752 CB GLU A 54 15.889 -5.496 6.886 1.00 0.00 C ATOM 753 CG GLU A 54 16.027 -4.608 5.648 1.00 0.00 C ATOM 754 CD GLU A 54 17.099 -3.536 5.859 1.00 0.00 C ATOM 755 OE1 GLU A 54 18.259 -3.934 6.099 1.00 0.00 O ATOM 756 OE2 GLU A 54 16.733 -2.344 5.775 1.00 0.00 O ATOM 0 H GLU A 54 14.380 -7.348 8.371 1.00 0.00 H new ATOM 0 HA GLU A 54 14.211 -4.468 7.707 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.565 -5.146 7.666 1.00 0.00 H new ATOM 0 HB3 GLU A 54 16.186 -6.516 6.641 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.285 -5.220 4.784 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.071 -4.133 5.428 1.00 0.00 H new ATOM 763 N TRP A 55 12.686 -4.946 5.858 1.00 0.00 N ATOM 764 CA TRP A 55 11.705 -5.205 4.818 1.00 0.00 C ATOM 765 C TRP A 55 12.411 -5.099 3.465 1.00 0.00 C ATOM 766 O TRP A 55 13.015 -4.074 3.155 1.00 0.00 O ATOM 767 CB TRP A 55 10.509 -4.259 4.944 1.00 0.00 C ATOM 768 CG TRP A 55 9.630 -4.526 6.167 1.00 0.00 C ATOM 769 CD1 TRP A 55 9.790 -4.064 7.415 1.00 0.00 C ATOM 770 CD2 TRP A 55 8.440 -5.341 6.209 1.00 0.00 C ATOM 771 NE1 TRP A 55 8.794 -4.520 8.255 1.00 0.00 N ATOM 772 CE2 TRP A 55 7.947 -5.321 7.498 1.00 0.00 C ATOM 773 CE3 TRP A 55 7.801 -6.072 5.192 1.00 0.00 C ATOM 774 CZ2 TRP A 55 6.794 -6.013 7.889 1.00 0.00 C ATOM 775 CZ3 TRP A 55 6.650 -6.757 5.599 1.00 0.00 C ATOM 776 CH2 TRP A 55 6.141 -6.747 6.892 1.00 0.00 C ATOM 0 H TRP A 55 12.712 -3.982 6.190 1.00 0.00 H new ATOM 0 HA TRP A 55 11.293 -6.209 4.918 1.00 0.00 H new ATOM 0 HB2 TRP A 55 10.874 -3.233 4.989 1.00 0.00 H new ATOM 0 HB3 TRP A 55 9.898 -4.341 4.045 1.00 0.00 H new ATOM 0 HD1 TRP A 55 10.597 -3.416 7.725 1.00 0.00 H new ATOM 0 HE1 TRP A 55 8.697 -4.308 9.248 1.00 0.00 H new ATOM 0 HE3 TRP A 55 8.169 -6.103 4.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 6.428 -5.982 8.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 6.120 -7.334 4.856 1.00 0.00 H new ATOM 0 HH2 TRP A 55 5.245 -7.303 7.127 1.00 0.00 H new ATOM 787 N VAL A 56 12.312 -6.174 2.696 1.00 0.00 N ATOM 788 CA VAL A 56 12.934 -6.214 1.383 1.00 0.00 C ATOM 789 C VAL A 56 11.983 -5.601 0.354 1.00 0.00 C ATOM 790 O VAL A 56 10.781 -5.861 0.382 1.00 0.00 O ATOM 791 CB VAL A 56 13.340 -7.649 1.041 1.00 0.00 C ATOM 792 CG1 VAL A 56 13.663 -7.787 -0.448 1.00 0.00 C ATOM 793 CG2 VAL A 56 14.520 -8.105 1.902 1.00 0.00 C ATOM 0 H VAL A 56 11.811 -7.023 2.957 1.00 0.00 H new ATOM 0 HA VAL A 56 13.848 -5.620 1.375 1.00 0.00 H new ATOM 0 HB VAL A 56 12.493 -8.298 1.262 1.00 0.00 H new ATOM 0 HG11 VAL A 56 13.949 -8.816 -0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 56 12.785 -7.523 -1.037 1.00 0.00 H new ATOM 0 HG13 VAL A 56 14.486 -7.120 -0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 56 14.788 -9.128 1.639 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.373 -7.449 1.727 1.00 0.00 H new ATOM 0 HG23 VAL A 56 14.240 -8.063 2.955 1.00 0.00 H new ATOM 803 N PRO A 57 12.572 -4.777 -0.554 1.00 0.00 N ATOM 804 CA PRO A 57 11.790 -4.125 -1.590 1.00 0.00 C ATOM 805 C PRO A 57 11.402 -5.116 -2.690 1.00 0.00 C ATOM 806 O PRO A 57 12.258 -5.585 -3.438 1.00 0.00 O ATOM 807 CB PRO A 57 12.671 -2.994 -2.095 1.00 0.00 C ATOM 808 CG PRO A 57 14.085 -3.338 -1.653 1.00 0.00 C ATOM 809 CD PRO A 57 13.992 -4.447 -0.617 1.00 0.00 C ATOM 0 HA PRO A 57 10.841 -3.738 -1.219 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.611 -2.907 -3.180 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.354 -2.037 -1.680 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.684 -3.661 -2.505 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.577 -2.462 -1.231 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.587 -5.312 -0.909 1.00 0.00 H new ATOM 0 HD3 PRO A 57 14.365 -4.116 0.352 1.00 0.00 H new ATOM 817 N ALA A 58 10.110 -5.404 -2.753 1.00 0.00 N ATOM 818 CA ALA A 58 9.598 -6.331 -3.748 1.00 0.00 C ATOM 819 C ALA A 58 9.726 -5.702 -5.137 1.00 0.00 C ATOM 820 O ALA A 58 10.132 -6.368 -6.088 1.00 0.00 O ATOM 821 CB ALA A 58 8.153 -6.700 -3.406 1.00 0.00 C ATOM 0 H ALA A 58 9.403 -5.012 -2.131 1.00 0.00 H new ATOM 0 HA ALA A 58 10.179 -7.254 -3.749 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.769 -7.395 -4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.120 -7.169 -2.422 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.539 -5.799 -3.399 1.00 0.00 H new ATOM 827 N ASN A 59 9.372 -4.428 -5.210 1.00 0.00 N ATOM 828 CA ASN A 59 9.442 -3.702 -6.467 1.00 0.00 C ATOM 829 C ASN A 59 10.375 -2.500 -6.305 1.00 0.00 C ATOM 830 O ASN A 59 10.124 -1.621 -5.483 1.00 0.00 O ATOM 831 CB ASN A 59 8.064 -3.179 -6.878 1.00 0.00 C ATOM 832 CG ASN A 59 7.356 -2.512 -5.698 1.00 0.00 C ATOM 833 OD1 ASN A 59 7.802 -2.562 -4.564 1.00 0.00 O ATOM 834 ND2 ASN A 59 6.230 -1.885 -6.027 1.00 0.00 N ATOM 0 H ASN A 59 9.036 -3.879 -4.419 1.00 0.00 H new ATOM 0 HA ASN A 59 9.811 -4.386 -7.232 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.171 -2.464 -7.694 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.456 -4.002 -7.253 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.684 -1.408 -5.310 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.913 -1.882 -6.996 1.00 0.00 H new ATOM 841 N LYS A 60 11.433 -2.501 -7.104 1.00 0.00 N ATOM 842 CA LYS A 60 12.405 -1.422 -7.060 1.00 0.00 C ATOM 843 C LYS A 60 11.691 -0.089 -7.294 1.00 0.00 C ATOM 844 O LYS A 60 12.124 0.947 -6.791 1.00 0.00 O ATOM 845 CB LYS A 60 13.547 -1.689 -8.042 1.00 0.00 C ATOM 846 CG LYS A 60 14.839 -1.014 -7.578 1.00 0.00 C ATOM 847 CD LYS A 60 16.022 -1.980 -7.658 1.00 0.00 C ATOM 848 CE LYS A 60 16.681 -2.154 -6.288 1.00 0.00 C ATOM 849 NZ LYS A 60 15.811 -2.947 -5.391 1.00 0.00 N ATOM 0 H LYS A 60 11.638 -3.232 -7.785 1.00 0.00 H new ATOM 0 HA LYS A 60 12.869 -1.367 -6.075 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.707 -2.763 -8.136 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.275 -1.320 -9.031 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.038 -0.138 -8.196 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.722 -0.661 -6.553 1.00 0.00 H new ATOM 0 HD2 LYS A 60 15.682 -2.947 -8.027 1.00 0.00 H new ATOM 0 HD3 LYS A 60 16.754 -1.605 -8.373 1.00 0.00 H new ATOM 0 HE2 LYS A 60 17.645 -2.651 -6.402 1.00 0.00 H new ATOM 0 HE3 LYS A 60 16.876 -1.177 -5.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 16.273 -3.056 -4.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 14.901 -2.458 -5.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 15.646 -3.885 -5.808 1.00 0.00 H new ATOM 863 N GLU A 61 10.610 -0.159 -8.056 1.00 0.00 N ATOM 864 CA GLU A 61 9.832 1.029 -8.363 1.00 0.00 C ATOM 865 C GLU A 61 8.379 0.841 -7.924 1.00 0.00 C ATOM 866 O GLU A 61 7.891 -0.286 -7.849 1.00 0.00 O ATOM 867 CB GLU A 61 9.915 1.370 -9.852 1.00 0.00 C ATOM 868 CG GLU A 61 9.104 0.377 -10.688 1.00 0.00 C ATOM 869 CD GLU A 61 8.936 0.877 -12.124 1.00 0.00 C ATOM 870 OE1 GLU A 61 8.627 2.079 -12.273 1.00 0.00 O ATOM 871 OE2 GLU A 61 9.120 0.047 -13.039 1.00 0.00 O ATOM 0 H GLU A 61 10.254 -1.020 -8.470 1.00 0.00 H new ATOM 0 HA GLU A 61 10.253 1.867 -7.808 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.542 2.381 -10.019 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.956 1.357 -10.174 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.603 -0.592 -10.693 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.124 0.229 -10.234 1.00 0.00 H new ATOM 878 N PRO A 62 7.711 1.990 -7.637 1.00 0.00 N ATOM 879 CA PRO A 62 6.324 1.963 -7.207 1.00 0.00 C ATOM 880 C PRO A 62 5.391 1.674 -8.385 1.00 0.00 C ATOM 881 O PRO A 62 5.579 2.209 -9.476 1.00 0.00 O ATOM 882 CB PRO A 62 6.080 3.324 -6.576 1.00 0.00 C ATOM 883 CG PRO A 62 7.191 4.226 -7.089 1.00 0.00 C ATOM 884 CD PRO A 62 8.258 3.342 -7.714 1.00 0.00 C ATOM 0 HA PRO A 62 6.121 1.166 -6.492 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.101 3.714 -6.854 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.100 3.259 -5.488 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.802 4.931 -7.823 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.612 4.814 -6.274 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.457 3.631 -8.746 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.202 3.419 -7.174 1.00 0.00 H new ATOM 892 N VAL A 63 4.405 0.828 -8.123 1.00 0.00 N ATOM 893 CA VAL A 63 3.442 0.462 -9.148 1.00 0.00 C ATOM 894 C VAL A 63 2.346 1.527 -9.216 1.00 0.00 C ATOM 895 O VAL A 63 2.334 2.463 -8.418 1.00 0.00 O ATOM 896 CB VAL A 63 2.895 -0.941 -8.874 1.00 0.00 C ATOM 897 CG1 VAL A 63 4.033 -1.953 -8.721 1.00 0.00 C ATOM 898 CG2 VAL A 63 1.988 -0.946 -7.642 1.00 0.00 C ATOM 0 H VAL A 63 4.252 0.386 -7.217 1.00 0.00 H new ATOM 0 HA VAL A 63 3.921 0.425 -10.126 1.00 0.00 H new ATOM 0 HB VAL A 63 2.294 -1.239 -9.733 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.617 -2.942 -8.527 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.621 -1.980 -9.638 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.672 -1.659 -7.889 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.613 -1.955 -7.470 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.555 -0.616 -6.771 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.149 -0.270 -7.805 1.00 0.00 H new ATOM 908 N GLU A 64 1.451 1.349 -10.177 1.00 0.00 N ATOM 909 CA GLU A 64 0.354 2.284 -10.361 1.00 0.00 C ATOM 910 C GLU A 64 -0.967 1.644 -9.928 1.00 0.00 C ATOM 911 O GLU A 64 -1.778 2.278 -9.256 1.00 0.00 O ATOM 912 CB GLU A 64 0.281 2.766 -11.811 1.00 0.00 C ATOM 913 CG GLU A 64 0.197 1.584 -12.778 1.00 0.00 C ATOM 914 CD GLU A 64 0.026 2.066 -14.220 1.00 0.00 C ATOM 915 OE1 GLU A 64 -0.856 2.927 -14.430 1.00 0.00 O ATOM 916 OE2 GLU A 64 0.782 1.564 -15.080 1.00 0.00 O ATOM 0 H GLU A 64 1.463 0.571 -10.836 1.00 0.00 H new ATOM 0 HA GLU A 64 0.536 3.156 -9.732 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.589 3.409 -11.941 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.160 3.368 -12.042 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.100 0.979 -12.698 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.641 0.944 -12.503 1.00 0.00 H new ATOM 923 N ARG A 65 -1.141 0.394 -10.332 1.00 0.00 N ATOM 924 CA ARG A 65 -2.350 -0.339 -9.995 1.00 0.00 C ATOM 925 C ARG A 65 -2.470 -0.496 -8.478 1.00 0.00 C ATOM 926 O ARG A 65 -1.617 -0.017 -7.731 1.00 0.00 O ATOM 927 CB ARG A 65 -2.353 -1.724 -10.645 1.00 0.00 C ATOM 928 CG ARG A 65 -2.467 -1.615 -12.167 1.00 0.00 C ATOM 929 CD ARG A 65 -1.149 -1.996 -12.845 1.00 0.00 C ATOM 930 NE ARG A 65 -1.156 -3.435 -13.192 1.00 0.00 N ATOM 931 CZ ARG A 65 -0.108 -4.087 -13.714 1.00 0.00 C ATOM 932 NH1 ARG A 65 1.037 -3.433 -13.953 1.00 0.00 N ATOM 933 NH2 ARG A 65 -0.205 -5.393 -13.997 1.00 0.00 N ATOM 0 H ARG A 65 -0.466 -0.129 -10.889 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.199 0.230 -10.373 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.438 -2.255 -10.382 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.185 -2.311 -10.255 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.265 -2.267 -12.523 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.741 -0.597 -12.443 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.007 -1.397 -13.745 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.313 -1.778 -12.181 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.012 -3.963 -13.023 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.111 -2.439 -13.738 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.835 -3.929 -14.350 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.076 -5.891 -13.815 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.593 -5.889 -14.394 1.00 0.00 H new ATOM 947 N CYS A 66 -3.535 -1.168 -8.067 1.00 0.00 N ATOM 948 CA CYS A 66 -3.777 -1.394 -6.652 1.00 0.00 C ATOM 949 C CYS A 66 -3.434 -2.850 -6.332 1.00 0.00 C ATOM 950 O CYS A 66 -4.255 -3.576 -5.773 1.00 0.00 O ATOM 951 CB CYS A 66 -5.216 -1.047 -6.262 1.00 0.00 C ATOM 952 SG CYS A 66 -5.764 0.450 -7.160 1.00 0.00 S ATOM 0 H CYS A 66 -4.240 -1.563 -8.689 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.141 -0.734 -6.062 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.876 -1.883 -6.495 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.280 -0.880 -5.187 1.00 0.00 H new ATOM 0 HG CYS A 66 -6.987 0.734 -6.824 1.00 0.00 H new ATOM 958 N GLY A 67 -2.220 -3.233 -6.700 1.00 0.00 N ATOM 959 CA GLY A 67 -1.759 -4.590 -6.459 1.00 0.00 C ATOM 960 C GLY A 67 -0.404 -4.835 -7.127 1.00 0.00 C ATOM 961 O GLY A 67 0.054 -4.020 -7.926 1.00 0.00 O ATOM 0 H GLY A 67 -1.542 -2.628 -7.163 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.677 -4.765 -5.386 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.491 -5.300 -6.843 1.00 0.00 H new ATOM 965 N PHE A 68 0.198 -5.962 -6.776 1.00 0.00 N ATOM 966 CA PHE A 68 1.490 -6.324 -7.331 1.00 0.00 C ATOM 967 C PHE A 68 1.799 -7.802 -7.082 1.00 0.00 C ATOM 968 O PHE A 68 1.146 -8.447 -6.263 1.00 0.00 O ATOM 969 CB PHE A 68 2.539 -5.469 -6.619 1.00 0.00 C ATOM 970 CG PHE A 68 3.960 -5.651 -7.156 1.00 0.00 C ATOM 971 CD1 PHE A 68 4.319 -5.081 -8.338 1.00 0.00 C ATOM 972 CD2 PHE A 68 4.865 -6.383 -6.452 1.00 0.00 C ATOM 973 CE1 PHE A 68 5.637 -5.249 -8.837 1.00 0.00 C ATOM 974 CE2 PHE A 68 6.184 -6.552 -6.951 1.00 0.00 C ATOM 975 CZ PHE A 68 6.542 -5.981 -8.133 1.00 0.00 C ATOM 0 H PHE A 68 -0.186 -6.636 -6.114 1.00 0.00 H new ATOM 0 HA PHE A 68 1.492 -6.156 -8.408 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.259 -4.419 -6.709 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.530 -5.711 -5.556 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.600 -4.500 -8.897 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.581 -6.836 -5.514 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.921 -4.796 -9.775 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.903 -7.134 -6.392 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.545 -6.109 -8.512 1.00 0.00 H new ATOM 985 N THR A 69 2.795 -8.295 -7.803 1.00 0.00 N ATOM 986 CA THR A 69 3.199 -9.685 -7.670 1.00 0.00 C ATOM 987 C THR A 69 4.661 -9.776 -7.231 1.00 0.00 C ATOM 988 O THR A 69 5.538 -9.173 -7.848 1.00 0.00 O ATOM 989 CB THR A 69 2.919 -10.387 -9.000 1.00 0.00 C ATOM 990 OG1 THR A 69 1.528 -10.689 -8.948 1.00 0.00 O ATOM 991 CG2 THR A 69 3.594 -11.757 -9.092 1.00 0.00 C ATOM 0 H THR A 69 3.334 -7.757 -8.481 1.00 0.00 H new ATOM 0 HA THR A 69 2.627 -10.191 -6.892 1.00 0.00 H new ATOM 0 HB THR A 69 3.261 -9.757 -9.821 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.261 -11.145 -9.774 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.363 -12.212 -10.055 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.673 -11.638 -8.996 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.227 -12.398 -8.290 1.00 0.00 H new ATOM 999 N VAL A 70 4.880 -10.534 -6.166 1.00 0.00 N ATOM 1000 CA VAL A 70 6.221 -10.712 -5.637 1.00 0.00 C ATOM 1001 C VAL A 70 6.825 -11.996 -6.208 1.00 0.00 C ATOM 1002 O VAL A 70 6.097 -12.912 -6.589 1.00 0.00 O ATOM 1003 CB VAL A 70 6.186 -10.697 -4.107 1.00 0.00 C ATOM 1004 CG1 VAL A 70 7.596 -10.810 -3.525 1.00 0.00 C ATOM 1005 CG2 VAL A 70 5.476 -9.445 -3.587 1.00 0.00 C ATOM 0 H VAL A 70 4.151 -11.032 -5.655 1.00 0.00 H new ATOM 0 HA VAL A 70 6.864 -9.887 -5.943 1.00 0.00 H new ATOM 0 HB VAL A 70 5.617 -11.566 -3.776 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.542 -10.797 -2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.052 -11.744 -3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.200 -9.970 -3.869 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.465 -9.459 -2.497 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.005 -8.557 -3.933 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.452 -9.426 -3.960 1.00 0.00 H new ATOM 1015 N LYS A 71 8.148 -12.022 -6.251 1.00 0.00 N ATOM 1016 CA LYS A 71 8.858 -13.179 -6.770 1.00 0.00 C ATOM 1017 C LYS A 71 10.090 -13.447 -5.903 1.00 0.00 C ATOM 1018 O LYS A 71 10.432 -12.643 -5.038 1.00 0.00 O ATOM 1019 CB LYS A 71 9.180 -12.989 -8.254 1.00 0.00 C ATOM 1020 CG LYS A 71 10.112 -11.794 -8.464 1.00 0.00 C ATOM 1021 CD LYS A 71 9.886 -11.157 -9.837 1.00 0.00 C ATOM 1022 CE LYS A 71 8.572 -10.373 -9.868 1.00 0.00 C ATOM 1023 NZ LYS A 71 8.772 -9.052 -10.506 1.00 0.00 N ATOM 0 H LYS A 71 8.748 -11.260 -5.935 1.00 0.00 H new ATOM 0 HA LYS A 71 8.229 -14.068 -6.715 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.647 -13.892 -8.647 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.257 -12.838 -8.814 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.941 -11.053 -7.683 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.149 -12.117 -8.375 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.716 -10.492 -10.074 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.869 -11.932 -10.603 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.818 -10.938 -10.416 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.197 -10.240 -8.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.871 -8.533 -10.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.477 -8.509 -9.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.109 -9.185 -11.481 1.00 0.00 H new ATOM 1037 N ASP A 72 10.723 -14.581 -6.166 1.00 0.00 N ATOM 1038 CA ASP A 72 11.909 -14.966 -5.420 1.00 0.00 C ATOM 1039 C ASP A 72 11.563 -15.060 -3.933 1.00 0.00 C ATOM 1040 O ASP A 72 11.947 -14.196 -3.147 1.00 0.00 O ATOM 1041 CB ASP A 72 13.022 -13.928 -5.582 1.00 0.00 C ATOM 1042 CG ASP A 72 13.715 -13.930 -6.946 1.00 0.00 C ATOM 1043 OD1 ASP A 72 13.109 -14.483 -7.890 1.00 0.00 O ATOM 1044 OD2 ASP A 72 14.835 -13.380 -7.014 1.00 0.00 O ATOM 0 H ASP A 72 10.437 -15.245 -6.885 1.00 0.00 H new ATOM 0 HA ASP A 72 12.252 -15.926 -5.804 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.603 -12.937 -5.406 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.772 -14.098 -4.810 1.00 0.00 H new ATOM 1049 N LEU A 73 10.842 -16.118 -3.592 1.00 0.00 N ATOM 1050 CA LEU A 73 10.440 -16.337 -2.213 1.00 0.00 C ATOM 1051 C LEU A 73 10.627 -17.814 -1.860 1.00 0.00 C ATOM 1052 O LEU A 73 10.460 -18.685 -2.711 1.00 0.00 O ATOM 1053 CB LEU A 73 9.017 -15.824 -1.982 1.00 0.00 C ATOM 1054 CG LEU A 73 8.712 -14.425 -2.521 1.00 0.00 C ATOM 1055 CD1 LEU A 73 7.204 -14.213 -2.672 1.00 0.00 C ATOM 1056 CD2 LEU A 73 9.358 -13.348 -1.648 1.00 0.00 C ATOM 0 H LEU A 73 10.526 -16.833 -4.247 1.00 0.00 H new ATOM 0 HA LEU A 73 11.074 -15.765 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.320 -16.527 -2.438 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.820 -15.830 -0.910 1.00 0.00 H new ATOM 0 HG LEU A 73 9.151 -14.339 -3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.014 -13.211 -3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.801 -14.951 -3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.722 -14.326 -1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.126 -12.363 -2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.971 -13.423 -0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.439 -13.489 -1.636 1.00 0.00 H new ATOM 1068 N PRO A 74 10.980 -18.056 -0.569 1.00 0.00 N ATOM 1069 CA PRO A 74 11.191 -19.412 -0.092 1.00 0.00 C ATOM 1070 C PRO A 74 9.859 -20.140 0.099 1.00 0.00 C ATOM 1071 O PRO A 74 9.021 -19.710 0.891 1.00 0.00 O ATOM 1072 CB PRO A 74 11.975 -19.257 1.201 1.00 0.00 C ATOM 1073 CG PRO A 74 11.772 -17.817 1.641 1.00 0.00 C ATOM 1074 CD PRO A 74 11.187 -17.048 0.468 1.00 0.00 C ATOM 0 HA PRO A 74 11.741 -20.027 -0.804 1.00 0.00 H new ATOM 0 HB2 PRO A 74 11.617 -19.952 1.961 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.032 -19.472 1.045 1.00 0.00 H new ATOM 0 HG2 PRO A 74 11.102 -17.771 2.499 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.719 -17.376 1.952 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.250 -16.562 0.741 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.866 -16.265 0.130 1.00 0.00 H new ATOM 1082 N THR A 75 9.705 -21.229 -0.638 1.00 0.00 N ATOM 1083 CA THR A 75 8.489 -22.021 -0.560 1.00 0.00 C ATOM 1084 C THR A 75 8.335 -22.624 0.838 1.00 0.00 C ATOM 1085 O THR A 75 9.201 -23.367 1.296 1.00 0.00 O ATOM 1086 CB THR A 75 8.534 -23.069 -1.673 1.00 0.00 C ATOM 1087 OG1 THR A 75 8.612 -22.301 -2.870 1.00 0.00 O ATOM 1088 CG2 THR A 75 7.217 -23.837 -1.808 1.00 0.00 C ATOM 0 H THR A 75 10.403 -21.582 -1.293 1.00 0.00 H new ATOM 0 HA THR A 75 7.604 -21.403 -0.713 1.00 0.00 H new ATOM 0 HB THR A 75 9.345 -23.771 -1.478 1.00 0.00 H new ATOM 0 HG1 THR A 75 8.156 -21.443 -2.739 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.303 -24.568 -2.612 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.998 -24.351 -0.872 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.411 -23.140 -2.036 1.00 0.00 H new ATOM 1096 N GLY A 76 7.225 -22.282 1.476 1.00 0.00 N ATOM 1097 CA GLY A 76 6.946 -22.781 2.812 1.00 0.00 C ATOM 1098 C GLY A 76 7.623 -21.912 3.874 1.00 0.00 C ATOM 1099 O GLY A 76 8.231 -22.429 4.809 1.00 0.00 O ATOM 0 H GLY A 76 6.509 -21.666 1.093 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.869 -22.796 2.981 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.297 -23.809 2.901 1.00 0.00 H new ATOM 1103 N ALA A 77 7.494 -20.605 3.694 1.00 0.00 N ATOM 1104 CA ALA A 77 8.086 -19.660 4.625 1.00 0.00 C ATOM 1105 C ALA A 77 7.065 -18.568 4.953 1.00 0.00 C ATOM 1106 O ALA A 77 6.445 -18.002 4.054 1.00 0.00 O ATOM 1107 CB ALA A 77 9.374 -19.092 4.026 1.00 0.00 C ATOM 0 H ALA A 77 6.988 -20.179 2.917 1.00 0.00 H new ATOM 0 HA ALA A 77 8.352 -20.156 5.559 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.818 -18.383 4.724 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.076 -19.904 3.837 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.146 -18.584 3.089 1.00 0.00 H new ATOM 1113 N ARG A 78 6.922 -18.305 6.244 1.00 0.00 N ATOM 1114 CA ARG A 78 5.987 -17.292 6.703 1.00 0.00 C ATOM 1115 C ARG A 78 6.569 -15.894 6.480 1.00 0.00 C ATOM 1116 O ARG A 78 7.376 -15.419 7.279 1.00 0.00 O ATOM 1117 CB ARG A 78 5.664 -17.472 8.187 1.00 0.00 C ATOM 1118 CG ARG A 78 4.569 -18.522 8.386 1.00 0.00 C ATOM 1119 CD ARG A 78 5.062 -19.667 9.273 1.00 0.00 C ATOM 1120 NE ARG A 78 4.132 -19.867 10.406 1.00 0.00 N ATOM 1121 CZ ARG A 78 4.367 -20.693 11.435 1.00 0.00 C ATOM 1122 NH1 ARG A 78 5.503 -21.402 11.479 1.00 0.00 N ATOM 1123 NH2 ARG A 78 3.465 -20.810 12.419 1.00 0.00 N ATOM 0 H ARG A 78 7.438 -18.776 6.987 1.00 0.00 H new ATOM 0 HA ARG A 78 5.068 -17.403 6.128 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.563 -17.773 8.725 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.342 -16.521 8.611 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.693 -18.058 8.839 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.257 -18.915 7.418 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.138 -20.584 8.688 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.061 -19.444 9.647 1.00 0.00 H new ATOM 0 HE ARG A 78 3.257 -19.343 10.404 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.189 -21.313 10.729 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.682 -22.031 12.262 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.600 -20.271 12.385 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.643 -21.439 13.202 1.00 0.00 H new ATOM 1137 N ILE A 79 6.137 -15.274 5.392 1.00 0.00 N ATOM 1138 CA ILE A 79 6.605 -13.941 5.055 1.00 0.00 C ATOM 1139 C ILE A 79 5.435 -12.958 5.140 1.00 0.00 C ATOM 1140 O ILE A 79 4.310 -13.293 4.771 1.00 0.00 O ATOM 1141 CB ILE A 79 7.305 -13.946 3.695 1.00 0.00 C ATOM 1142 CG1 ILE A 79 8.432 -14.981 3.663 1.00 0.00 C ATOM 1143 CG2 ILE A 79 7.801 -12.546 3.327 1.00 0.00 C ATOM 1144 CD1 ILE A 79 8.946 -15.188 2.236 1.00 0.00 C ATOM 0 H ILE A 79 5.468 -15.670 4.732 1.00 0.00 H new ATOM 0 HA ILE A 79 7.355 -13.609 5.772 1.00 0.00 H new ATOM 0 HB ILE A 79 6.578 -14.238 2.938 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.250 -14.653 4.304 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.072 -15.928 4.065 1.00 0.00 H new ATOM 0 HG21 ILE A 79 8.295 -12.579 2.356 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.955 -11.861 3.281 1.00 0.00 H new ATOM 0 HG23 ILE A 79 8.507 -12.200 4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 79 9.746 -15.928 2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.131 -15.539 1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.327 -14.244 1.846 1.00 0.00 H new ATOM 1156 N LEU A 80 5.741 -11.765 5.629 1.00 0.00 N ATOM 1157 CA LEU A 80 4.729 -10.731 5.767 1.00 0.00 C ATOM 1158 C LEU A 80 4.851 -9.745 4.604 1.00 0.00 C ATOM 1159 O LEU A 80 5.956 -9.423 4.171 1.00 0.00 O ATOM 1160 CB LEU A 80 4.822 -10.072 7.144 1.00 0.00 C ATOM 1161 CG LEU A 80 4.215 -10.859 8.308 1.00 0.00 C ATOM 1162 CD1 LEU A 80 4.700 -10.313 9.652 1.00 0.00 C ATOM 1163 CD2 LEU A 80 2.688 -10.882 8.216 1.00 0.00 C ATOM 0 H LEU A 80 6.675 -11.491 5.934 1.00 0.00 H new ATOM 0 HA LEU A 80 3.731 -11.165 5.713 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.873 -9.887 7.366 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.331 -9.100 7.093 1.00 0.00 H new ATOM 0 HG LEU A 80 4.558 -11.891 8.238 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.253 -10.890 10.462 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.786 -10.392 9.706 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.407 -9.268 9.747 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.281 -11.447 9.055 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.306 -9.862 8.247 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.387 -11.354 7.281 1.00 0.00 H new ATOM 1175 N PHE A 81 3.699 -9.294 4.129 1.00 0.00 N ATOM 1176 CA PHE A 81 3.663 -8.351 3.024 1.00 0.00 C ATOM 1177 C PHE A 81 3.042 -7.021 3.458 1.00 0.00 C ATOM 1178 O PHE A 81 1.981 -7.001 4.081 1.00 0.00 O ATOM 1179 CB PHE A 81 2.792 -8.975 1.932 1.00 0.00 C ATOM 1180 CG PHE A 81 3.371 -10.257 1.331 1.00 0.00 C ATOM 1181 CD1 PHE A 81 4.666 -10.290 0.918 1.00 0.00 C ATOM 1182 CD2 PHE A 81 2.591 -11.364 1.210 1.00 0.00 C ATOM 1183 CE1 PHE A 81 5.204 -11.480 0.360 1.00 0.00 C ATOM 1184 CE2 PHE A 81 3.128 -12.554 0.652 1.00 0.00 C ATOM 1185 CZ PHE A 81 4.423 -12.587 0.239 1.00 0.00 C ATOM 0 H PHE A 81 2.784 -9.564 4.489 1.00 0.00 H new ATOM 0 HA PHE A 81 4.675 -8.151 2.672 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.808 -9.193 2.347 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.648 -8.245 1.135 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.286 -9.411 1.014 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.562 -11.338 1.538 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.233 -11.506 0.032 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.508 -13.433 0.556 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.832 -13.492 -0.185 1.00 0.00 H new ATOM 1195 N ARG A 82 3.729 -5.943 3.111 1.00 0.00 N ATOM 1196 CA ARG A 82 3.258 -4.612 3.457 1.00 0.00 C ATOM 1197 C ARG A 82 3.304 -3.698 2.231 1.00 0.00 C ATOM 1198 O ARG A 82 4.241 -3.765 1.437 1.00 0.00 O ATOM 1199 CB ARG A 82 4.107 -4.001 4.573 1.00 0.00 C ATOM 1200 CG ARG A 82 5.409 -3.421 4.017 1.00 0.00 C ATOM 1201 CD ARG A 82 6.514 -3.443 5.075 1.00 0.00 C ATOM 1202 NE ARG A 82 6.729 -2.079 5.610 1.00 0.00 N ATOM 1203 CZ ARG A 82 7.117 -1.034 4.867 1.00 0.00 C ATOM 1204 NH1 ARG A 82 7.334 -1.188 3.554 1.00 0.00 N ATOM 1205 NH2 ARG A 82 7.287 0.167 5.437 1.00 0.00 N ATOM 0 H ARG A 82 4.608 -5.964 2.594 1.00 0.00 H new ATOM 0 HA ARG A 82 2.230 -4.704 3.807 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.542 -3.217 5.077 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.333 -4.762 5.320 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.724 -3.994 3.145 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.242 -2.397 3.682 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.241 -4.121 5.884 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.439 -3.822 4.639 1.00 0.00 H new ATOM 0 HE ARG A 82 6.572 -1.926 6.606 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.204 -2.101 3.119 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.629 -0.392 2.989 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.121 0.285 6.436 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.582 0.963 4.871 1.00 0.00 H new ATOM 1219 N VAL A 83 2.280 -2.865 2.115 1.00 0.00 N ATOM 1220 CA VAL A 83 2.192 -1.938 1.000 1.00 0.00 C ATOM 1221 C VAL A 83 2.165 -0.505 1.534 1.00 0.00 C ATOM 1222 O VAL A 83 1.338 -0.169 2.380 1.00 0.00 O ATOM 1223 CB VAL A 83 0.978 -2.277 0.133 1.00 0.00 C ATOM 1224 CG1 VAL A 83 0.412 -1.020 -0.532 1.00 0.00 C ATOM 1225 CG2 VAL A 83 1.327 -3.339 -0.910 1.00 0.00 C ATOM 0 H VAL A 83 1.504 -2.813 2.775 1.00 0.00 H new ATOM 0 HA VAL A 83 3.068 -2.028 0.358 1.00 0.00 H new ATOM 0 HB VAL A 83 0.207 -2.689 0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.450 -1.288 -1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.106 -0.309 0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.176 -0.567 -1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.446 -3.561 -1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.123 -2.968 -1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.661 -4.247 -0.407 1.00 0.00 H new ATOM 1235 N VAL A 84 3.080 0.303 1.018 1.00 0.00 N ATOM 1236 CA VAL A 84 3.171 1.692 1.432 1.00 0.00 C ATOM 1237 C VAL A 84 3.036 2.596 0.205 1.00 0.00 C ATOM 1238 O VAL A 84 3.763 2.432 -0.774 1.00 0.00 O ATOM 1239 CB VAL A 84 4.472 1.923 2.205 1.00 0.00 C ATOM 1240 CG1 VAL A 84 4.271 1.679 3.702 1.00 0.00 C ATOM 1241 CG2 VAL A 84 5.600 1.050 1.653 1.00 0.00 C ATOM 0 H VAL A 84 3.765 0.021 0.317 1.00 0.00 H new ATOM 0 HA VAL A 84 2.356 1.942 2.111 1.00 0.00 H new ATOM 0 HB VAL A 84 4.760 2.966 2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.210 1.850 4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.512 2.362 4.083 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.947 0.651 3.863 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.513 1.234 2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.323 -0.001 1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.769 1.294 0.604 1.00 0.00 H new ATOM 1251 N GLY A 85 2.101 3.530 0.297 1.00 0.00 N ATOM 1252 CA GLY A 85 1.862 4.460 -0.793 1.00 0.00 C ATOM 1253 C GLY A 85 2.927 5.557 -0.822 1.00 0.00 C ATOM 1254 O GLY A 85 3.026 6.357 0.108 1.00 0.00 O ATOM 0 H GLY A 85 1.500 3.663 1.110 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.863 3.922 -1.741 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.875 4.909 -0.682 1.00 0.00 H new ATOM 1258 N VAL A 86 3.699 5.560 -1.899 1.00 0.00 N ATOM 1259 CA VAL A 86 4.753 6.547 -2.061 1.00 0.00 C ATOM 1260 C VAL A 86 4.164 7.823 -2.665 1.00 0.00 C ATOM 1261 O VAL A 86 3.103 7.788 -3.286 1.00 0.00 O ATOM 1262 CB VAL A 86 5.893 5.961 -2.898 1.00 0.00 C ATOM 1263 CG1 VAL A 86 6.686 4.927 -2.096 1.00 0.00 C ATOM 1264 CG2 VAL A 86 5.364 5.357 -4.199 1.00 0.00 C ATOM 0 H VAL A 86 3.616 4.895 -2.668 1.00 0.00 H new ATOM 0 HA VAL A 86 5.179 6.813 -1.094 1.00 0.00 H new ATOM 0 HB VAL A 86 6.570 6.775 -3.158 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.490 4.526 -2.713 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.110 5.401 -1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.024 4.117 -1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.195 4.948 -4.774 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.655 4.561 -3.969 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.865 6.130 -4.783 1.00 0.00 H new ATOM 1274 N ASN A 87 4.878 8.920 -2.461 1.00 0.00 N ATOM 1275 CA ASN A 87 4.439 10.206 -2.977 1.00 0.00 C ATOM 1276 C ASN A 87 5.500 11.264 -2.669 1.00 0.00 C ATOM 1277 O ASN A 87 6.457 10.996 -1.944 1.00 0.00 O ATOM 1278 CB ASN A 87 3.129 10.644 -2.320 1.00 0.00 C ATOM 1279 CG ASN A 87 3.154 10.377 -0.814 1.00 0.00 C ATOM 1280 OD1 ASN A 87 3.954 10.925 -0.073 1.00 0.00 O ATOM 1281 ND2 ASN A 87 2.236 9.506 -0.404 1.00 0.00 N ATOM 0 H ASN A 87 5.758 8.945 -1.945 1.00 0.00 H new ATOM 0 HA ASN A 87 4.287 10.104 -4.052 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.964 11.706 -2.502 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.294 10.110 -2.774 1.00 0.00 H new ATOM 0 HD21 ASN A 87 2.171 9.260 0.584 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.597 9.084 -1.077 1.00 0.00 H new ATOM 1288 N ILE A 88 5.295 12.444 -3.235 1.00 0.00 N ATOM 1289 CA ILE A 88 6.222 13.544 -3.030 1.00 0.00 C ATOM 1290 C ILE A 88 6.400 13.782 -1.529 1.00 0.00 C ATOM 1291 O ILE A 88 7.463 14.215 -1.087 1.00 0.00 O ATOM 1292 CB ILE A 88 5.761 14.784 -3.798 1.00 0.00 C ATOM 1293 CG1 ILE A 88 6.880 15.824 -3.883 1.00 0.00 C ATOM 1294 CG2 ILE A 88 4.484 15.364 -3.188 1.00 0.00 C ATOM 1295 CD1 ILE A 88 7.105 16.270 -5.329 1.00 0.00 C ATOM 0 H ILE A 88 4.500 12.663 -3.836 1.00 0.00 H new ATOM 0 HA ILE A 88 7.204 13.295 -3.433 1.00 0.00 H new ATOM 0 HB ILE A 88 5.522 14.484 -4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.627 16.687 -3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.802 15.405 -3.480 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.178 16.245 -3.753 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.692 14.616 -3.224 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.671 15.645 -2.152 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.905 17.009 -5.361 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.382 15.408 -5.937 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.188 16.711 -5.721 1.00 0.00 H new ATOM 1307 N ALA A 89 5.343 13.487 -0.786 1.00 0.00 N ATOM 1308 CA ALA A 89 5.370 13.663 0.656 1.00 0.00 C ATOM 1309 C ALA A 89 6.228 12.563 1.284 1.00 0.00 C ATOM 1310 O ALA A 89 6.690 12.702 2.416 1.00 0.00 O ATOM 1311 CB ALA A 89 3.938 13.666 1.196 1.00 0.00 C ATOM 0 H ALA A 89 4.463 13.127 -1.156 1.00 0.00 H new ATOM 0 HA ALA A 89 5.820 14.621 0.918 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.957 13.798 2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.379 14.484 0.741 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.456 12.719 0.955 1.00 0.00 H new ATOM 1317 N GLY A 90 6.415 11.495 0.523 1.00 0.00 N ATOM 1318 CA GLY A 90 7.209 10.372 0.991 1.00 0.00 C ATOM 1319 C GLY A 90 6.387 9.082 0.993 1.00 0.00 C ATOM 1320 O GLY A 90 5.624 8.827 0.062 1.00 0.00 O ATOM 0 H GLY A 90 6.030 11.384 -0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 90 8.084 10.249 0.352 1.00 0.00 H new ATOM 0 HA3 GLY A 90 7.575 10.575 1.997 1.00 0.00 H new ATOM 1324 N ARG A 91 6.571 8.302 2.048 1.00 0.00 N ATOM 1325 CA ARG A 91 5.857 7.044 2.182 1.00 0.00 C ATOM 1326 C ARG A 91 4.796 7.151 3.279 1.00 0.00 C ATOM 1327 O ARG A 91 4.855 8.047 4.120 1.00 0.00 O ATOM 1328 CB ARG A 91 6.814 5.899 2.519 1.00 0.00 C ATOM 1329 CG ARG A 91 7.849 6.338 3.558 1.00 0.00 C ATOM 1330 CD ARG A 91 8.634 5.137 4.090 1.00 0.00 C ATOM 1331 NE ARG A 91 9.895 5.594 4.716 1.00 0.00 N ATOM 1332 CZ ARG A 91 10.612 4.863 5.581 1.00 0.00 C ATOM 1333 NH1 ARG A 91 10.197 3.637 5.927 1.00 0.00 N ATOM 1334 NH2 ARG A 91 11.744 5.359 6.099 1.00 0.00 N ATOM 0 H ARG A 91 7.204 8.517 2.818 1.00 0.00 H new ATOM 0 HA ARG A 91 5.378 6.832 1.226 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.249 5.048 2.900 1.00 0.00 H new ATOM 0 HB3 ARG A 91 7.321 5.565 1.614 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.536 7.057 3.111 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.349 6.845 4.383 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.033 4.593 4.819 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.852 4.445 3.276 1.00 0.00 H new ATOM 0 HE ARG A 91 10.240 6.523 4.474 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.335 3.260 5.532 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.743 3.081 6.585 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.060 6.292 5.835 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.290 4.803 6.757 1.00 0.00 H new ATOM 1348 N SER A 92 3.849 6.225 3.236 1.00 0.00 N ATOM 1349 CA SER A 92 2.776 6.204 4.215 1.00 0.00 C ATOM 1350 C SER A 92 2.885 4.949 5.084 1.00 0.00 C ATOM 1351 O SER A 92 3.779 4.128 4.885 1.00 0.00 O ATOM 1352 CB SER A 92 1.407 6.262 3.535 1.00 0.00 C ATOM 1353 OG SER A 92 1.024 4.998 2.999 1.00 0.00 O ATOM 0 H SER A 92 3.803 5.483 2.537 1.00 0.00 H new ATOM 0 HA SER A 92 2.874 7.086 4.848 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.658 6.593 4.255 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.430 7.003 2.736 1.00 0.00 H new ATOM 0 HG SER A 92 0.590 5.129 2.130 1.00 0.00 H new ATOM 1359 N GLU A 93 1.962 4.841 6.028 1.00 0.00 N ATOM 1360 CA GLU A 93 1.943 3.699 6.928 1.00 0.00 C ATOM 1361 C GLU A 93 1.826 2.398 6.132 1.00 0.00 C ATOM 1362 O GLU A 93 1.035 2.309 5.194 1.00 0.00 O ATOM 1363 CB GLU A 93 0.808 3.823 7.947 1.00 0.00 C ATOM 1364 CG GLU A 93 1.177 4.804 9.062 1.00 0.00 C ATOM 1365 CD GLU A 93 -0.058 5.556 9.561 1.00 0.00 C ATOM 1366 OE1 GLU A 93 -0.538 6.426 8.804 1.00 0.00 O ATOM 1367 OE2 GLU A 93 -0.495 5.243 10.690 1.00 0.00 O ATOM 0 H GLU A 93 1.222 5.524 6.190 1.00 0.00 H new ATOM 0 HA GLU A 93 2.882 3.680 7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.100 4.160 7.447 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.591 2.845 8.376 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.637 4.264 9.889 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.917 5.515 8.695 1.00 0.00 H new ATOM 1374 N PRO A 94 2.645 1.395 6.546 1.00 0.00 N ATOM 1375 CA PRO A 94 2.641 0.103 5.882 1.00 0.00 C ATOM 1376 C PRO A 94 1.400 -0.706 6.265 1.00 0.00 C ATOM 1377 O PRO A 94 1.195 -1.018 7.438 1.00 0.00 O ATOM 1378 CB PRO A 94 3.939 -0.563 6.309 1.00 0.00 C ATOM 1379 CG PRO A 94 4.399 0.178 7.553 1.00 0.00 C ATOM 1380 CD PRO A 94 3.594 1.464 7.653 1.00 0.00 C ATOM 0 HA PRO A 94 2.591 0.188 4.796 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.784 -1.621 6.520 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.687 -0.502 5.519 1.00 0.00 H new ATOM 0 HG2 PRO A 94 4.249 -0.436 8.441 1.00 0.00 H new ATOM 0 HG3 PRO A 94 5.465 0.398 7.494 1.00 0.00 H new ATOM 0 HD2 PRO A 94 3.080 1.536 8.611 1.00 0.00 H new ATOM 0 HD3 PRO A 94 4.236 2.341 7.570 1.00 0.00 H new ATOM 1388 N ALA A 95 0.604 -1.023 5.255 1.00 0.00 N ATOM 1389 CA ALA A 95 -0.611 -1.790 5.471 1.00 0.00 C ATOM 1390 C ALA A 95 -0.253 -3.268 5.639 1.00 0.00 C ATOM 1391 O ALA A 95 -0.746 -4.118 4.899 1.00 0.00 O ATOM 1392 CB ALA A 95 -1.578 -1.553 4.309 1.00 0.00 C ATOM 0 H ALA A 95 0.777 -0.763 4.284 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.112 -1.466 6.383 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.489 -2.128 4.471 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.824 -0.493 4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.110 -1.869 3.376 1.00 0.00 H new ATOM 1398 N THR A 96 0.601 -3.529 6.618 1.00 0.00 N ATOM 1399 CA THR A 96 1.031 -4.890 6.892 1.00 0.00 C ATOM 1400 C THR A 96 -0.163 -5.846 6.846 1.00 0.00 C ATOM 1401 O THR A 96 -1.283 -5.463 7.182 1.00 0.00 O ATOM 1402 CB THR A 96 1.759 -4.893 8.238 1.00 0.00 C ATOM 1403 OG1 THR A 96 2.577 -3.727 8.192 1.00 0.00 O ATOM 1404 CG2 THR A 96 2.759 -6.045 8.359 1.00 0.00 C ATOM 0 H THR A 96 1.007 -2.822 7.231 1.00 0.00 H new ATOM 0 HA THR A 96 1.723 -5.247 6.130 1.00 0.00 H new ATOM 0 HB THR A 96 1.030 -4.958 9.046 1.00 0.00 H new ATOM 0 HG1 THR A 96 3.084 -3.650 9.027 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.248 -6.001 9.332 1.00 0.00 H new ATOM 0 HG22 THR A 96 2.234 -6.995 8.259 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.508 -5.960 7.572 1.00 0.00 H new ATOM 1412 N LEU A 97 0.116 -7.071 6.427 1.00 0.00 N ATOM 1413 CA LEU A 97 -0.921 -8.084 6.332 1.00 0.00 C ATOM 1414 C LEU A 97 -1.289 -8.564 7.737 1.00 0.00 C ATOM 1415 O LEU A 97 -0.421 -8.694 8.600 1.00 0.00 O ATOM 1416 CB LEU A 97 -0.485 -9.210 5.392 1.00 0.00 C ATOM 1417 CG LEU A 97 -0.809 -9.010 3.910 1.00 0.00 C ATOM 1418 CD1 LEU A 97 -0.267 -10.168 3.069 1.00 0.00 C ATOM 1419 CD2 LEU A 97 -2.310 -8.803 3.700 1.00 0.00 C ATOM 0 H LEU A 97 1.046 -7.385 6.149 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.825 -7.664 5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.592 -9.344 5.493 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.954 -10.136 5.724 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.308 -8.103 3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.511 -10.001 2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.815 -10.227 3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.719 -11.102 3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.513 -8.663 2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.852 -9.677 4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.636 -7.921 4.251 1.00 0.00 H new ATOM 1431 N LEU A 98 -2.576 -8.815 7.924 1.00 0.00 N ATOM 1432 CA LEU A 98 -3.070 -9.277 9.210 1.00 0.00 C ATOM 1433 C LEU A 98 -2.458 -10.644 9.524 1.00 0.00 C ATOM 1434 O LEU A 98 -2.358 -11.030 10.688 1.00 0.00 O ATOM 1435 CB LEU A 98 -4.600 -9.269 9.231 1.00 0.00 C ATOM 1436 CG LEU A 98 -5.258 -7.932 9.576 1.00 0.00 C ATOM 1437 CD1 LEU A 98 -5.231 -6.981 8.378 1.00 0.00 C ATOM 1438 CD2 LEU A 98 -6.677 -8.141 10.109 1.00 0.00 C ATOM 0 H LEU A 98 -3.292 -8.707 7.206 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.760 -8.598 10.004 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.959 -9.586 8.252 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.938 -10.014 9.951 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.680 -7.463 10.372 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.705 -6.038 8.651 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.198 -6.796 8.084 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.771 -7.430 7.544 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.122 -7.175 10.347 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.280 -8.642 9.352 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.641 -8.755 11.009 1.00 0.00 H new ATOM 1450 N GLN A 99 -2.065 -11.338 8.466 1.00 0.00 N ATOM 1451 CA GLN A 99 -1.466 -12.654 8.615 1.00 0.00 C ATOM 1452 C GLN A 99 -0.370 -12.859 7.568 1.00 0.00 C ATOM 1453 O GLN A 99 -0.458 -12.332 6.460 1.00 0.00 O ATOM 1454 CB GLN A 99 -2.526 -13.753 8.522 1.00 0.00 C ATOM 1455 CG GLN A 99 -3.572 -13.601 9.629 1.00 0.00 C ATOM 1456 CD GLN A 99 -4.455 -14.847 9.723 1.00 0.00 C ATOM 1457 OE1 GLN A 99 -5.420 -15.012 8.995 1.00 0.00 O ATOM 1458 NE2 GLN A 99 -4.072 -15.712 10.658 1.00 0.00 N ATOM 0 H GLN A 99 -2.149 -11.014 7.502 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.013 -12.716 9.604 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.013 -13.712 7.548 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.049 -14.730 8.599 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -3.074 -13.431 10.584 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.191 -12.726 9.432 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -3.254 -15.512 11.233 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -4.596 -16.575 10.800 1.00 0.00 H new ATOM 1467 N PRO A 100 0.665 -13.647 7.965 1.00 0.00 N ATOM 1468 CA PRO A 100 1.777 -13.928 7.074 1.00 0.00 C ATOM 1469 C PRO A 100 1.375 -14.940 5.998 1.00 0.00 C ATOM 1470 O PRO A 100 0.268 -15.475 6.028 1.00 0.00 O ATOM 1471 CB PRO A 100 2.889 -14.434 7.978 1.00 0.00 C ATOM 1472 CG PRO A 100 2.213 -14.856 9.273 1.00 0.00 C ATOM 1473 CD PRO A 100 0.804 -14.288 9.270 1.00 0.00 C ATOM 0 HA PRO A 100 2.103 -13.048 6.519 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.414 -15.272 7.520 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.630 -13.655 8.160 1.00 0.00 H new ATOM 0 HG2 PRO A 100 2.186 -15.943 9.353 1.00 0.00 H new ATOM 0 HG3 PRO A 100 2.772 -14.487 10.133 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.060 -15.073 9.407 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.664 -13.572 10.080 1.00 0.00 H new ATOM 1481 N VAL A 101 2.297 -15.171 5.075 1.00 0.00 N ATOM 1482 CA VAL A 101 2.052 -16.109 3.992 1.00 0.00 C ATOM 1483 C VAL A 101 3.119 -17.206 4.022 1.00 0.00 C ATOM 1484 O VAL A 101 4.310 -16.915 4.117 1.00 0.00 O ATOM 1485 CB VAL A 101 1.998 -15.364 2.657 1.00 0.00 C ATOM 1486 CG1 VAL A 101 2.083 -16.340 1.481 1.00 0.00 C ATOM 1487 CG2 VAL A 101 0.739 -14.500 2.562 1.00 0.00 C ATOM 0 H VAL A 101 3.214 -14.725 5.054 1.00 0.00 H new ATOM 0 HA VAL A 101 1.084 -16.594 4.118 1.00 0.00 H new ATOM 0 HB VAL A 101 2.863 -14.703 2.607 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.042 -15.785 0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.020 -16.894 1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.247 -17.038 1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.725 -13.981 1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.144 -15.134 2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.738 -13.769 3.370 1.00 0.00 H new ATOM 1497 N THR A 102 2.652 -18.443 3.940 1.00 0.00 N ATOM 1498 CA THR A 102 3.552 -19.584 3.957 1.00 0.00 C ATOM 1499 C THR A 102 4.231 -19.747 2.596 1.00 0.00 C ATOM 1500 O THR A 102 5.256 -20.419 2.486 1.00 0.00 O ATOM 1501 CB THR A 102 2.748 -20.813 4.385 1.00 0.00 C ATOM 1502 OG1 THR A 102 3.118 -21.013 5.747 1.00 0.00 O ATOM 1503 CG2 THR A 102 3.211 -22.091 3.682 1.00 0.00 C ATOM 0 H THR A 102 1.663 -18.680 3.862 1.00 0.00 H new ATOM 0 HA THR A 102 4.360 -19.440 4.674 1.00 0.00 H new ATOM 0 HB THR A 102 1.692 -20.646 4.175 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.641 -21.791 6.105 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.607 -22.932 4.022 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.097 -21.975 2.604 1.00 0.00 H new ATOM 0 HG23 THR A 102 4.259 -22.277 3.918 1.00 0.00 H new ATOM 1511 N ILE A 103 3.634 -19.121 1.593 1.00 0.00 N ATOM 1512 CA ILE A 103 4.169 -19.189 0.243 1.00 0.00 C ATOM 1513 C ILE A 103 4.109 -20.635 -0.253 1.00 0.00 C ATOM 1514 O ILE A 103 4.962 -21.450 0.097 1.00 0.00 O ATOM 1515 CB ILE A 103 5.570 -18.578 0.192 1.00 0.00 C ATOM 1516 CG1 ILE A 103 5.569 -17.154 0.752 1.00 0.00 C ATOM 1517 CG2 ILE A 103 6.142 -18.636 -1.227 1.00 0.00 C ATOM 1518 CD1 ILE A 103 4.861 -16.190 -0.203 1.00 0.00 C ATOM 0 H ILE A 103 2.785 -18.564 1.688 1.00 0.00 H new ATOM 0 HA ILE A 103 3.562 -18.594 -0.439 1.00 0.00 H new ATOM 0 HB ILE A 103 6.225 -19.173 0.828 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.072 -17.141 1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.595 -16.823 0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 103 7.139 -18.195 -1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.202 -19.674 -1.553 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.493 -18.080 -1.904 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.874 -15.185 0.219 1.00 0.00 H new ATOM 0 HD12 ILE A 103 5.375 -16.187 -1.164 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.829 -16.511 -0.344 1.00 0.00 H new ATOM 1530 N ARG A 104 3.094 -20.910 -1.059 1.00 0.00 N ATOM 1531 CA ARG A 104 2.913 -22.243 -1.606 1.00 0.00 C ATOM 1532 C ARG A 104 1.817 -22.234 -2.673 1.00 0.00 C ATOM 1533 O ARG A 104 0.857 -21.471 -2.576 1.00 0.00 O ATOM 1534 CB ARG A 104 2.539 -23.243 -0.509 1.00 0.00 C ATOM 1535 CG ARG A 104 3.656 -24.267 -0.298 1.00 0.00 C ATOM 1536 CD ARG A 104 3.841 -24.576 1.189 1.00 0.00 C ATOM 1537 NE ARG A 104 4.035 -26.030 1.384 1.00 0.00 N ATOM 1538 CZ ARG A 104 3.062 -26.942 1.253 1.00 0.00 C ATOM 1539 NH1 ARG A 104 1.822 -26.555 0.926 1.00 0.00 N ATOM 1540 NH2 ARG A 104 3.330 -28.240 1.448 1.00 0.00 N ATOM 0 H ARG A 104 2.388 -20.232 -1.346 1.00 0.00 H new ATOM 0 HA ARG A 104 3.859 -22.549 -2.054 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.347 -22.711 0.423 1.00 0.00 H new ATOM 0 HB3 ARG A 104 1.616 -23.756 -0.779 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.420 -25.184 -0.837 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.589 -23.884 -0.713 1.00 0.00 H new ATOM 0 HD2 ARG A 104 4.701 -24.031 1.578 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.969 -24.239 1.750 1.00 0.00 H new ATOM 0 HE ARG A 104 4.968 -26.359 1.634 1.00 0.00 H new ATOM 0 HH11 ARG A 104 1.619 -25.567 0.777 1.00 0.00 H new ATOM 0 HH12 ARG A 104 1.081 -27.249 0.826 1.00 0.00 H new ATOM 0 HH21 ARG A 104 4.275 -28.534 1.696 1.00 0.00 H new ATOM 0 HH22 ARG A 104 2.589 -28.934 1.348 1.00 0.00 H new ATOM 1554 N GLU A 105 1.996 -23.092 -3.667 1.00 0.00 N ATOM 1555 CA GLU A 105 1.034 -23.192 -4.752 1.00 0.00 C ATOM 1556 C GLU A 105 0.078 -24.361 -4.506 1.00 0.00 C ATOM 1557 O GLU A 105 0.350 -25.227 -3.676 1.00 0.00 O ATOM 1558 CB GLU A 105 1.741 -23.337 -6.101 1.00 0.00 C ATOM 1559 CG GLU A 105 1.013 -22.545 -7.189 1.00 0.00 C ATOM 1560 CD GLU A 105 0.213 -23.476 -8.102 1.00 0.00 C ATOM 1561 OE1 GLU A 105 0.732 -24.577 -8.385 1.00 0.00 O ATOM 1562 OE2 GLU A 105 -0.901 -23.066 -8.495 1.00 0.00 O ATOM 0 H GLU A 105 2.793 -23.724 -3.744 1.00 0.00 H new ATOM 0 HA GLU A 105 0.452 -22.271 -4.782 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.769 -22.985 -6.016 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.786 -24.390 -6.381 1.00 0.00 H new ATOM 0 HG2 GLU A 105 0.344 -21.818 -6.729 1.00 0.00 H new ATOM 0 HG3 GLU A 105 1.736 -21.983 -7.780 1.00 0.00 H new ATOM 1569 N SER A 106 -1.023 -24.348 -5.244 1.00 0.00 N ATOM 1570 CA SER A 106 -2.022 -25.396 -5.116 1.00 0.00 C ATOM 1571 C SER A 106 -1.737 -26.515 -6.121 1.00 0.00 C ATOM 1572 O SER A 106 -1.093 -26.286 -7.144 1.00 0.00 O ATOM 1573 CB SER A 106 -3.432 -24.842 -5.325 1.00 0.00 C ATOM 1574 OG SER A 106 -3.796 -23.912 -4.309 1.00 0.00 O ATOM 0 H SER A 106 -1.245 -23.629 -5.932 1.00 0.00 H new ATOM 0 HA SER A 106 -1.966 -25.800 -4.105 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.490 -24.356 -6.299 1.00 0.00 H new ATOM 0 HB3 SER A 106 -4.147 -25.665 -5.336 1.00 0.00 H new ATOM 0 HG SER A 106 -4.702 -23.580 -4.479 1.00 0.00 H new ATOM 1580 N GLY A 107 -2.231 -27.700 -5.794 1.00 0.00 N ATOM 1581 CA GLY A 107 -2.038 -28.854 -6.655 1.00 0.00 C ATOM 1582 C GLY A 107 -1.538 -30.058 -5.854 1.00 0.00 C ATOM 1583 O GLY A 107 -0.332 -30.250 -5.702 1.00 0.00 O ATOM 0 H GLY A 107 -2.765 -27.886 -4.945 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.977 -29.105 -7.148 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.321 -28.611 -7.439 1.00 0.00 H new ATOM 1587 N PRO A 108 -2.515 -30.859 -5.349 1.00 0.00 N ATOM 1588 CA PRO A 108 -2.186 -32.039 -4.568 1.00 0.00 C ATOM 1589 C PRO A 108 -1.677 -33.167 -5.466 1.00 0.00 C ATOM 1590 O PRO A 108 -1.829 -33.111 -6.686 1.00 0.00 O ATOM 1591 CB PRO A 108 -3.470 -32.395 -3.835 1.00 0.00 C ATOM 1592 CG PRO A 108 -4.587 -31.689 -4.585 1.00 0.00 C ATOM 1593 CD PRO A 108 -3.953 -30.662 -5.509 1.00 0.00 C ATOM 0 HA PRO A 108 -1.375 -31.864 -3.861 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.628 -33.474 -3.824 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -3.430 -32.068 -2.796 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.175 -32.406 -5.158 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -5.269 -31.204 -3.886 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -4.261 -30.816 -6.543 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -4.247 -29.648 -5.236 1.00 0.00 H new ATOM 1601 N SER A 109 -1.084 -34.166 -4.829 1.00 0.00 N ATOM 1602 CA SER A 109 -0.552 -35.306 -5.555 1.00 0.00 C ATOM 1603 C SER A 109 -0.616 -36.560 -4.681 1.00 0.00 C ATOM 1604 O SER A 109 -0.188 -36.540 -3.528 1.00 0.00 O ATOM 1605 CB SER A 109 0.887 -35.048 -6.008 1.00 0.00 C ATOM 1606 OG SER A 109 1.532 -36.242 -6.443 1.00 0.00 O ATOM 0 H SER A 109 -0.960 -34.209 -3.817 1.00 0.00 H new ATOM 0 HA SER A 109 -1.163 -35.460 -6.445 1.00 0.00 H new ATOM 0 HB2 SER A 109 0.887 -34.320 -6.819 1.00 0.00 H new ATOM 0 HB3 SER A 109 1.453 -34.609 -5.186 1.00 0.00 H new ATOM 0 HG SER A 109 2.447 -36.035 -6.725 1.00 0.00 H new ATOM 1612 N SER A 110 -1.154 -37.622 -5.264 1.00 0.00 N ATOM 1613 CA SER A 110 -1.280 -38.882 -4.552 1.00 0.00 C ATOM 1614 C SER A 110 -1.697 -38.626 -3.102 1.00 0.00 C ATOM 1615 O SER A 110 -0.847 -38.457 -2.229 1.00 0.00 O ATOM 1616 CB SER A 110 0.029 -39.673 -4.596 1.00 0.00 C ATOM 1617 OG SER A 110 -0.194 -41.079 -4.531 1.00 0.00 O ATOM 0 H SER A 110 -1.507 -37.635 -6.221 1.00 0.00 H new ATOM 0 HA SER A 110 -2.049 -39.477 -5.044 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.567 -39.433 -5.513 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.665 -39.368 -3.765 1.00 0.00 H new ATOM 0 HG SER A 110 0.666 -41.548 -4.564 1.00 0.00 H new ATOM 1623 N GLY A 111 -3.004 -38.603 -2.891 1.00 0.00 N ATOM 1624 CA GLY A 111 -3.544 -38.370 -1.562 1.00 0.00 C ATOM 1625 C GLY A 111 -3.972 -36.911 -1.393 1.00 0.00 C ATOM 1626 O GLY A 111 -3.275 -36.126 -0.753 1.00 0.00 O ATOM 0 H GLY A 111 -3.706 -38.742 -3.618 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -4.398 -39.025 -1.392 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.795 -38.622 -0.812 1.00 0.00 H new TER 1630 GLY A 111