USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 39 HIS : no HD1:sc= -3.72! C(o=-5!,f=-5.2!) USER MOD Set 1.2: A 43 ASN : amide:sc= -1.23 X(o=-5,f=-5.2) USER MOD Set 2.1: A 28 LYS NZ :NH3+ -151:sc= 1.19 (180deg=0) USER MOD Set 2.2: A 59 TYR OH : rot 180:sc= 1.07 USER MOD Single : A 1 GLY N :NH3+ -169:sc= -0.0304 (180deg=-0.181) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -168:sc= -0.0109 (180deg=-0.216) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -56:sc= 1.03 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot -94:sc= -0.231 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -67:sc= 0.755 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 169:sc= -2.75! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0315 USER MOD Single : A 51 LYS NZ :NH3+ 167:sc= -0.0359 (180deg=-0.21) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -7:sc= 1.1 USER MOD Single : A 63 SER OG : rot -34:sc= 0.344 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot -96:sc= 1.15 USER MOD Single : A 73 GLN : amide:sc= 0.231 X(o=0.23,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.020 5.272 -16.241 1.00 0.00 N ATOM 2 CA GLY A 1 13.735 3.992 -16.048 1.00 0.00 C ATOM 3 C GLY A 1 12.873 2.796 -16.369 1.00 0.00 C ATOM 4 O GLY A 1 13.383 1.767 -16.820 1.00 0.00 O ATOM 0 H1 GLY A 1 13.698 6.059 -16.191 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.556 5.274 -17.172 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.303 5.385 -15.496 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.623 3.976 -16.680 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.078 3.923 -15.016 1.00 0.00 H new ATOM 10 N GLU A 2 11.562 2.935 -16.142 1.00 0.00 N ATOM 11 CA GLU A 2 10.591 1.875 -16.407 1.00 0.00 C ATOM 12 C GLU A 2 10.816 0.672 -15.503 1.00 0.00 C ATOM 13 O GLU A 2 11.477 -0.296 -15.885 1.00 0.00 O ATOM 14 CB GLU A 2 10.601 1.454 -17.885 1.00 0.00 C ATOM 15 CG GLU A 2 10.250 2.582 -18.837 1.00 0.00 C ATOM 16 CD GLU A 2 8.894 3.180 -18.545 1.00 0.00 C ATOM 17 OE1 GLU A 2 7.888 2.461 -18.657 1.00 0.00 O ATOM 18 OE2 GLU A 2 8.828 4.372 -18.181 1.00 0.00 O ATOM 0 H GLU A 2 11.147 3.789 -15.769 1.00 0.00 H new ATOM 0 HA GLU A 2 9.606 2.284 -16.183 1.00 0.00 H new ATOM 0 HB2 GLU A 2 11.589 1.069 -18.138 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.894 0.636 -18.027 1.00 0.00 H new ATOM 0 HG2 GLU A 2 11.010 3.361 -18.769 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.267 2.208 -19.861 1.00 0.00 H new ATOM 25 N PHE A 3 10.291 0.759 -14.287 1.00 0.00 N ATOM 26 CA PHE A 3 10.402 -0.324 -13.320 1.00 0.00 C ATOM 27 C PHE A 3 9.659 -1.542 -13.837 1.00 0.00 C ATOM 28 O PHE A 3 10.099 -2.683 -13.669 1.00 0.00 O ATOM 29 CB PHE A 3 9.813 0.090 -11.968 1.00 0.00 C ATOM 30 CG PHE A 3 10.522 1.237 -11.308 1.00 0.00 C ATOM 31 CD1 PHE A 3 9.996 2.518 -11.366 1.00 0.00 C ATOM 32 CD2 PHE A 3 11.708 1.036 -10.625 1.00 0.00 C ATOM 33 CE1 PHE A 3 10.640 3.575 -10.756 1.00 0.00 C ATOM 34 CE2 PHE A 3 12.359 2.091 -10.013 1.00 0.00 C ATOM 35 CZ PHE A 3 11.824 3.361 -10.079 1.00 0.00 C ATOM 0 H PHE A 3 9.781 1.574 -13.946 1.00 0.00 H new ATOM 0 HA PHE A 3 11.458 -0.559 -13.184 1.00 0.00 H new ATOM 0 HB2 PHE A 3 8.766 0.358 -12.108 1.00 0.00 H new ATOM 0 HB3 PHE A 3 9.835 -0.769 -11.297 1.00 0.00 H new ATOM 0 HD1 PHE A 3 9.071 2.691 -11.895 1.00 0.00 H new ATOM 0 HD2 PHE A 3 12.130 0.044 -10.569 1.00 0.00 H new ATOM 0 HE1 PHE A 3 10.219 4.568 -10.808 1.00 0.00 H new ATOM 0 HE2 PHE A 3 13.285 1.921 -9.484 1.00 0.00 H new ATOM 0 HZ PHE A 3 12.331 4.187 -9.602 1.00 0.00 H new ATOM 45 N GLY A 4 8.536 -1.280 -14.472 1.00 0.00 N ATOM 46 CA GLY A 4 7.719 -2.326 -15.013 1.00 0.00 C ATOM 47 C GLY A 4 6.343 -2.317 -14.403 1.00 0.00 C ATOM 48 O GLY A 4 6.182 -1.996 -13.223 1.00 0.00 O ATOM 0 H GLY A 4 8.172 -0.339 -14.623 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.641 -2.207 -16.094 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.193 -3.291 -14.832 1.00 0.00 H new ATOM 52 N SER A 5 5.354 -2.655 -15.193 1.00 0.00 N ATOM 53 CA SER A 5 3.995 -2.681 -14.720 1.00 0.00 C ATOM 54 C SER A 5 3.678 -4.044 -14.140 1.00 0.00 C ATOM 55 O SER A 5 3.926 -5.070 -14.774 1.00 0.00 O ATOM 56 CB SER A 5 3.039 -2.352 -15.861 1.00 0.00 C ATOM 57 OG SER A 5 3.323 -1.064 -16.402 1.00 0.00 O ATOM 0 H SER A 5 5.468 -2.917 -16.172 1.00 0.00 H new ATOM 0 HA SER A 5 3.873 -1.931 -13.938 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.125 -3.107 -16.643 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.011 -2.382 -15.500 1.00 0.00 H new ATOM 0 HG SER A 5 2.700 -0.872 -17.134 1.00 0.00 H new ATOM 63 N MET A 6 3.148 -4.058 -12.940 1.00 0.00 N ATOM 64 CA MET A 6 2.819 -5.296 -12.269 1.00 0.00 C ATOM 65 C MET A 6 1.390 -5.283 -11.801 1.00 0.00 C ATOM 66 O MET A 6 0.809 -4.219 -11.581 1.00 0.00 O ATOM 67 CB MET A 6 3.738 -5.525 -11.069 1.00 0.00 C ATOM 68 CG MET A 6 5.195 -5.738 -11.427 1.00 0.00 C ATOM 69 SD MET A 6 6.195 -6.182 -9.994 1.00 0.00 S ATOM 70 CE MET A 6 6.169 -4.640 -9.075 1.00 0.00 C ATOM 0 H MET A 6 2.933 -3.218 -12.403 1.00 0.00 H new ATOM 0 HA MET A 6 2.957 -6.106 -12.985 1.00 0.00 H new ATOM 0 HB2 MET A 6 3.663 -4.667 -10.400 1.00 0.00 H new ATOM 0 HB3 MET A 6 3.382 -6.394 -10.515 1.00 0.00 H new ATOM 0 HG2 MET A 6 5.271 -6.525 -12.178 1.00 0.00 H new ATOM 0 HG3 MET A 6 5.593 -4.828 -11.877 1.00 0.00 H new ATOM 0 HE1 MET A 6 6.910 -4.680 -8.277 1.00 0.00 H new ATOM 0 HE2 MET A 6 6.402 -3.813 -9.746 1.00 0.00 H new ATOM 0 HE3 MET A 6 5.179 -4.490 -8.644 1.00 0.00 H new ATOM 80 N VAL A 7 0.826 -6.454 -11.654 1.00 0.00 N ATOM 81 CA VAL A 7 -0.516 -6.573 -11.152 1.00 0.00 C ATOM 82 C VAL A 7 -0.439 -6.572 -9.638 1.00 0.00 C ATOM 83 O VAL A 7 0.108 -7.499 -9.031 1.00 0.00 O ATOM 84 CB VAL A 7 -1.199 -7.867 -11.645 1.00 0.00 C ATOM 85 CG1 VAL A 7 -2.624 -7.954 -11.125 1.00 0.00 C ATOM 86 CG2 VAL A 7 -1.176 -7.937 -13.165 1.00 0.00 C ATOM 0 H VAL A 7 1.278 -7.341 -11.876 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.115 -5.739 -11.517 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.642 -8.719 -11.254 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.087 -8.873 -11.484 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.614 -7.955 -10.035 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.195 -7.097 -11.482 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.662 -8.856 -13.494 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.706 -7.078 -13.577 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.143 -7.927 -13.514 1.00 0.00 H new ATOM 96 N LYS A 8 -0.972 -5.537 -9.028 1.00 0.00 N ATOM 97 CA LYS A 8 -0.842 -5.368 -7.599 1.00 0.00 C ATOM 98 C LYS A 8 -1.925 -6.111 -6.841 1.00 0.00 C ATOM 99 O LYS A 8 -3.109 -6.008 -7.152 1.00 0.00 O ATOM 100 CB LYS A 8 -0.828 -3.883 -7.239 1.00 0.00 C ATOM 101 CG LYS A 8 0.367 -3.138 -7.825 1.00 0.00 C ATOM 102 CD LYS A 8 0.370 -1.667 -7.440 1.00 0.00 C ATOM 103 CE LYS A 8 1.570 -0.948 -8.044 1.00 0.00 C ATOM 104 NZ LYS A 8 1.605 0.491 -7.677 1.00 0.00 N ATOM 0 H LYS A 8 -1.499 -4.801 -9.499 1.00 0.00 H new ATOM 0 HA LYS A 8 0.109 -5.805 -7.295 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.748 -3.420 -7.596 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.818 -3.778 -6.154 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.289 -3.605 -7.479 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.352 -3.228 -8.911 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.551 -1.196 -7.782 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.393 -1.571 -6.354 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.488 -1.430 -7.706 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.540 -1.044 -9.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.438 0.939 -8.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.742 0.958 -8.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.660 0.584 -6.643 1.00 0.00 H new ATOM 118 N GLU A 9 -1.498 -6.860 -5.845 1.00 0.00 N ATOM 119 CA GLU A 9 -2.383 -7.656 -5.021 1.00 0.00 C ATOM 120 C GLU A 9 -1.855 -7.651 -3.595 1.00 0.00 C ATOM 121 O GLU A 9 -0.659 -7.481 -3.397 1.00 0.00 O ATOM 122 CB GLU A 9 -2.440 -9.090 -5.558 1.00 0.00 C ATOM 123 CG GLU A 9 -3.472 -9.974 -4.885 1.00 0.00 C ATOM 124 CD GLU A 9 -3.479 -11.382 -5.432 1.00 0.00 C ATOM 125 OE1 GLU A 9 -4.083 -11.608 -6.497 1.00 0.00 O ATOM 126 OE2 GLU A 9 -2.871 -12.274 -4.799 1.00 0.00 O ATOM 0 H GLU A 9 -0.515 -6.934 -5.582 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.389 -7.238 -5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.651 -9.056 -6.627 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.457 -9.547 -5.442 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.274 -10.006 -3.814 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.461 -9.534 -5.013 1.00 0.00 H new ATOM 133 N THR A 10 -2.762 -7.765 -2.616 1.00 0.00 N ATOM 134 CA THR A 10 -2.421 -7.804 -1.178 1.00 0.00 C ATOM 135 C THR A 10 -1.827 -6.479 -0.732 1.00 0.00 C ATOM 136 O THR A 10 -1.102 -6.402 0.259 1.00 0.00 O ATOM 137 CB THR A 10 -1.475 -8.996 -0.789 1.00 0.00 C ATOM 138 OG1 THR A 10 -0.134 -8.789 -1.263 1.00 0.00 O ATOM 139 CG2 THR A 10 -2.006 -10.303 -1.358 1.00 0.00 C ATOM 0 H THR A 10 -3.764 -7.834 -2.796 1.00 0.00 H new ATOM 0 HA THR A 10 -3.358 -7.976 -0.648 1.00 0.00 H new ATOM 0 HB THR A 10 -1.454 -9.046 0.300 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.148 -8.647 -2.233 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.339 -11.119 -1.079 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.002 -10.496 -0.959 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.058 -10.232 -2.444 1.00 0.00 H new ATOM 147 N LYS A 11 -2.217 -5.431 -1.445 1.00 0.00 N ATOM 148 CA LYS A 11 -1.705 -4.089 -1.226 1.00 0.00 C ATOM 149 C LYS A 11 -1.973 -3.620 0.190 1.00 0.00 C ATOM 150 O LYS A 11 -1.085 -3.113 0.850 1.00 0.00 O ATOM 151 CB LYS A 11 -2.386 -3.127 -2.190 1.00 0.00 C ATOM 152 CG LYS A 11 -1.991 -3.311 -3.645 1.00 0.00 C ATOM 153 CD LYS A 11 -2.887 -2.495 -4.569 1.00 0.00 C ATOM 154 CE LYS A 11 -2.766 -1.004 -4.300 1.00 0.00 C ATOM 155 NZ LYS A 11 -3.631 -0.204 -5.201 1.00 0.00 N ATOM 0 H LYS A 11 -2.903 -5.491 -2.197 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.628 -4.108 -1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.466 -3.247 -2.102 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.153 -2.105 -1.890 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.952 -3.010 -3.783 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.055 -4.366 -3.911 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.622 -2.700 -5.606 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.924 -2.805 -4.437 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.035 -0.800 -3.264 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.728 -0.696 -4.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.518 0.807 -4.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.358 -0.378 -6.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.624 -0.479 -5.063 1.00 0.00 H new ATOM 169 N PHE A 12 -3.178 -3.843 0.672 1.00 0.00 N ATOM 170 CA PHE A 12 -3.533 -3.391 1.999 1.00 0.00 C ATOM 171 C PHE A 12 -2.847 -4.202 3.084 1.00 0.00 C ATOM 172 O PHE A 12 -2.491 -3.663 4.135 1.00 0.00 O ATOM 173 CB PHE A 12 -5.042 -3.333 2.202 1.00 0.00 C ATOM 174 CG PHE A 12 -5.669 -2.107 1.592 1.00 0.00 C ATOM 175 CD1 PHE A 12 -6.690 -2.209 0.667 1.00 0.00 C ATOM 176 CD2 PHE A 12 -5.229 -0.846 1.958 1.00 0.00 C ATOM 177 CE1 PHE A 12 -7.264 -1.072 0.125 1.00 0.00 C ATOM 178 CE2 PHE A 12 -5.792 0.287 1.421 1.00 0.00 C ATOM 179 CZ PHE A 12 -6.811 0.178 0.507 1.00 0.00 C ATOM 0 H PHE A 12 -3.921 -4.330 0.170 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.163 -2.370 2.087 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.497 -4.223 1.766 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.261 -3.354 3.270 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.043 -3.184 0.364 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.430 -0.751 2.678 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.064 -1.161 -0.595 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.433 1.262 1.717 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.258 1.067 0.087 1.00 0.00 H new ATOM 189 N TYR A 13 -2.644 -5.492 2.827 1.00 0.00 N ATOM 190 CA TYR A 13 -1.962 -6.337 3.799 1.00 0.00 C ATOM 191 C TYR A 13 -0.514 -5.885 3.924 1.00 0.00 C ATOM 192 O TYR A 13 0.001 -5.683 5.023 1.00 0.00 O ATOM 193 CB TYR A 13 -1.997 -7.814 3.386 1.00 0.00 C ATOM 194 CG TYR A 13 -3.376 -8.436 3.334 1.00 0.00 C ATOM 195 CD1 TYR A 13 -3.935 -8.828 2.128 1.00 0.00 C ATOM 196 CD2 TYR A 13 -4.112 -8.643 4.494 1.00 0.00 C ATOM 197 CE1 TYR A 13 -5.185 -9.413 2.077 1.00 0.00 C ATOM 198 CE2 TYR A 13 -5.363 -9.224 4.452 1.00 0.00 C ATOM 199 CZ TYR A 13 -5.893 -9.608 3.241 1.00 0.00 C ATOM 200 OH TYR A 13 -7.135 -10.192 3.193 1.00 0.00 O ATOM 0 H TYR A 13 -2.936 -5.966 1.972 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.477 -6.241 4.755 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.535 -7.911 2.404 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.385 -8.385 4.084 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.384 -8.673 1.212 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.698 -8.344 5.445 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.605 -9.716 1.129 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.922 -9.376 5.363 1.00 0.00 H new ATOM 0 HH TYR A 13 -7.823 -9.495 3.154 1.00 0.00 H new ATOM 210 N ASP A 14 0.122 -5.708 2.775 1.00 0.00 N ATOM 211 CA ASP A 14 1.502 -5.241 2.704 1.00 0.00 C ATOM 212 C ASP A 14 1.677 -3.871 3.313 1.00 0.00 C ATOM 213 O ASP A 14 2.658 -3.618 4.014 1.00 0.00 O ATOM 214 CB ASP A 14 1.981 -5.224 1.265 1.00 0.00 C ATOM 215 CG ASP A 14 2.218 -6.614 0.708 1.00 0.00 C ATOM 216 OD1 ASP A 14 2.918 -7.410 1.368 1.00 0.00 O ATOM 217 OD2 ASP A 14 1.715 -6.917 -0.393 1.00 0.00 O ATOM 0 H ASP A 14 -0.303 -5.884 1.864 1.00 0.00 H new ATOM 0 HA ASP A 14 2.103 -5.941 3.284 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.244 -4.711 0.648 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.905 -4.650 1.201 1.00 0.00 H new ATOM 222 N ILE A 15 0.738 -2.989 3.049 1.00 0.00 N ATOM 223 CA ILE A 15 0.786 -1.650 3.602 1.00 0.00 C ATOM 224 C ILE A 15 0.748 -1.668 5.142 1.00 0.00 C ATOM 225 O ILE A 15 1.564 -1.003 5.798 1.00 0.00 O ATOM 226 CB ILE A 15 -0.348 -0.773 3.022 1.00 0.00 C ATOM 227 CG1 ILE A 15 -0.070 -0.439 1.550 1.00 0.00 C ATOM 228 CG2 ILE A 15 -0.560 0.495 3.842 1.00 0.00 C ATOM 229 CD1 ILE A 15 -1.239 0.222 0.843 1.00 0.00 C ATOM 0 H ILE A 15 -0.070 -3.174 2.454 1.00 0.00 H new ATOM 0 HA ILE A 15 1.738 -1.207 3.310 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.273 -1.348 3.077 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.797 0.220 1.494 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.191 -1.356 1.022 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.365 1.083 3.401 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.825 0.227 4.865 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.358 1.083 3.847 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.968 0.428 -0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.102 -0.443 0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.487 1.157 1.346 1.00 0.00 H new ATOM 241 N LEU A 16 -0.188 -2.425 5.714 1.00 0.00 N ATOM 242 CA LEU A 16 -0.250 -2.573 7.171 1.00 0.00 C ATOM 243 C LEU A 16 0.936 -3.352 7.743 1.00 0.00 C ATOM 244 O LEU A 16 1.325 -3.137 8.894 1.00 0.00 O ATOM 245 CB LEU A 16 -1.565 -3.214 7.636 1.00 0.00 C ATOM 246 CG LEU A 16 -2.830 -2.369 7.493 1.00 0.00 C ATOM 247 CD1 LEU A 16 -4.039 -3.166 7.944 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.709 -1.085 8.303 1.00 0.00 C ATOM 0 H LEU A 16 -0.905 -2.939 5.201 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.202 -1.556 7.561 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.709 -4.139 7.077 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.457 -3.489 8.685 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.955 -2.101 6.444 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.936 -2.556 7.839 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.134 -4.061 7.330 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.916 -3.454 8.988 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.619 -0.496 8.189 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.565 -1.331 9.355 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.856 -0.508 7.945 1.00 0.00 H new ATOM 260 N GLY A 17 1.520 -4.234 6.955 1.00 0.00 N ATOM 261 CA GLY A 17 2.614 -5.043 7.461 1.00 0.00 C ATOM 262 C GLY A 17 2.102 -6.358 7.999 1.00 0.00 C ATOM 263 O GLY A 17 2.750 -7.019 8.814 1.00 0.00 O ATOM 0 H GLY A 17 1.264 -4.407 5.983 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.336 -5.226 6.665 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.139 -4.502 8.248 1.00 0.00 H new ATOM 267 N VAL A 18 0.925 -6.716 7.540 1.00 0.00 N ATOM 268 CA VAL A 18 0.270 -7.946 7.932 1.00 0.00 C ATOM 269 C VAL A 18 0.287 -8.938 6.781 1.00 0.00 C ATOM 270 O VAL A 18 0.408 -8.544 5.616 1.00 0.00 O ATOM 271 CB VAL A 18 -1.195 -7.711 8.379 1.00 0.00 C ATOM 272 CG1 VAL A 18 -1.239 -6.870 9.627 1.00 0.00 C ATOM 273 CG2 VAL A 18 -2.006 -7.060 7.270 1.00 0.00 C ATOM 0 H VAL A 18 0.388 -6.157 6.877 1.00 0.00 H new ATOM 0 HA VAL A 18 0.823 -8.346 8.782 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.640 -8.682 8.599 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.276 -6.716 9.925 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.703 -7.379 10.428 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.770 -5.905 9.432 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.030 -6.906 7.610 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.562 -6.099 7.011 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.008 -7.707 6.393 1.00 0.00 H new ATOM 283 N PRO A 19 0.196 -10.233 7.083 1.00 0.00 N ATOM 284 CA PRO A 19 0.150 -11.275 6.060 1.00 0.00 C ATOM 285 C PRO A 19 -1.153 -11.237 5.301 1.00 0.00 C ATOM 286 O PRO A 19 -2.107 -10.591 5.720 1.00 0.00 O ATOM 287 CB PRO A 19 0.221 -12.566 6.870 1.00 0.00 C ATOM 288 CG PRO A 19 -0.341 -12.199 8.188 1.00 0.00 C ATOM 289 CD PRO A 19 0.135 -10.804 8.446 1.00 0.00 C ATOM 0 HA PRO A 19 0.946 -11.166 5.323 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.355 -13.363 6.400 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.247 -12.924 6.960 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.430 -12.248 8.179 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.002 -12.882 8.966 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.552 -10.252 9.087 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.109 -10.791 8.936 1.00 0.00 H new ATOM 297 N VAL A 20 -1.193 -11.915 4.184 1.00 0.00 N ATOM 298 CA VAL A 20 -2.403 -12.024 3.406 1.00 0.00 C ATOM 299 C VAL A 20 -3.441 -12.750 4.255 1.00 0.00 C ATOM 300 O VAL A 20 -4.631 -12.445 4.229 1.00 0.00 O ATOM 301 CB VAL A 20 -2.148 -12.818 2.109 1.00 0.00 C ATOM 302 CG1 VAL A 20 -3.421 -12.971 1.293 1.00 0.00 C ATOM 303 CG2 VAL A 20 -1.044 -12.171 1.294 1.00 0.00 C ATOM 0 H VAL A 20 -0.392 -12.406 3.787 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.754 -11.030 3.129 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.820 -13.820 2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.206 -13.535 0.386 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.169 -13.502 1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.802 -11.986 1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.879 -12.746 0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.333 -11.153 1.033 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.125 -12.148 1.880 1.00 0.00 H new ATOM 313 N THR A 21 -2.947 -13.701 5.020 1.00 0.00 N ATOM 314 CA THR A 21 -3.761 -14.524 5.894 1.00 0.00 C ATOM 315 C THR A 21 -3.932 -13.846 7.283 1.00 0.00 C ATOM 316 O THR A 21 -4.152 -14.515 8.293 1.00 0.00 O ATOM 317 CB THR A 21 -3.078 -15.894 6.073 1.00 0.00 C ATOM 318 OG1 THR A 21 -2.513 -16.308 4.813 1.00 0.00 O ATOM 319 CG2 THR A 21 -4.074 -16.948 6.534 1.00 0.00 C ATOM 0 H THR A 21 -1.953 -13.929 5.054 1.00 0.00 H new ATOM 0 HA THR A 21 -4.747 -14.650 5.446 1.00 0.00 H new ATOM 0 HB THR A 21 -2.300 -15.794 6.830 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.075 -17.178 4.921 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.564 -17.904 6.652 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.506 -16.647 7.488 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.867 -17.049 5.792 1.00 0.00 H new ATOM 327 N ALA A 22 -3.830 -12.518 7.313 1.00 0.00 N ATOM 328 CA ALA A 22 -3.922 -11.751 8.558 1.00 0.00 C ATOM 329 C ALA A 22 -5.271 -11.871 9.254 1.00 0.00 C ATOM 330 O ALA A 22 -6.320 -12.013 8.619 1.00 0.00 O ATOM 331 CB ALA A 22 -3.614 -10.290 8.304 1.00 0.00 C ATOM 0 H ALA A 22 -3.682 -11.945 6.482 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.180 -12.185 9.229 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.687 -9.735 9.239 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.605 -10.195 7.903 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.328 -9.887 7.586 1.00 0.00 H new ATOM 337 N THR A 23 -5.217 -11.797 10.565 1.00 0.00 N ATOM 338 CA THR A 23 -6.390 -11.828 11.415 1.00 0.00 C ATOM 339 C THR A 23 -6.642 -10.439 12.008 1.00 0.00 C ATOM 340 O THR A 23 -5.783 -9.558 11.904 1.00 0.00 O ATOM 341 CB THR A 23 -6.210 -12.848 12.552 1.00 0.00 C ATOM 342 OG1 THR A 23 -4.994 -12.560 13.267 1.00 0.00 O ATOM 343 CG2 THR A 23 -6.161 -14.267 12.004 1.00 0.00 C ATOM 0 H THR A 23 -4.341 -11.712 11.081 1.00 0.00 H new ATOM 0 HA THR A 23 -7.246 -12.126 10.809 1.00 0.00 H new ATOM 0 HB THR A 23 -7.062 -12.770 13.228 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.224 -12.727 12.684 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.033 -14.971 12.827 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.091 -14.487 11.480 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.324 -14.361 11.313 1.00 0.00 H new ATOM 351 N ASP A 24 -7.794 -10.257 12.659 1.00 0.00 N ATOM 352 CA ASP A 24 -8.191 -8.963 13.236 1.00 0.00 C ATOM 353 C ASP A 24 -7.148 -8.442 14.206 1.00 0.00 C ATOM 354 O ASP A 24 -6.874 -7.243 14.250 1.00 0.00 O ATOM 355 CB ASP A 24 -9.506 -9.108 14.004 1.00 0.00 C ATOM 356 CG ASP A 24 -10.678 -9.473 13.136 1.00 0.00 C ATOM 357 OD1 ASP A 24 -11.215 -8.587 12.461 1.00 0.00 O ATOM 358 OD2 ASP A 24 -11.077 -10.661 13.147 1.00 0.00 O ATOM 0 H ASP A 24 -8.479 -10.999 12.803 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.299 -8.265 12.406 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.384 -9.870 14.774 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.723 -8.170 14.516 1.00 0.00 H new ATOM 363 N VAL A 25 -6.563 -9.339 14.978 1.00 0.00 N ATOM 364 CA VAL A 25 -5.586 -8.960 15.986 1.00 0.00 C ATOM 365 C VAL A 25 -4.349 -8.353 15.328 1.00 0.00 C ATOM 366 O VAL A 25 -3.843 -7.315 15.760 1.00 0.00 O ATOM 367 CB VAL A 25 -5.172 -10.179 16.841 1.00 0.00 C ATOM 368 CG1 VAL A 25 -4.033 -9.826 17.789 1.00 0.00 C ATOM 369 CG2 VAL A 25 -6.366 -10.729 17.608 1.00 0.00 C ATOM 0 H VAL A 25 -6.748 -10.341 14.927 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.049 -8.217 16.636 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.813 -10.956 16.166 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.764 -10.703 18.377 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.169 -9.496 17.212 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.350 -9.025 18.457 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.052 -11.587 18.203 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.763 -9.956 18.266 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.139 -11.039 16.905 1.00 0.00 H new ATOM 379 N GLU A 26 -3.899 -8.993 14.259 1.00 0.00 N ATOM 380 CA GLU A 26 -2.721 -8.557 13.525 1.00 0.00 C ATOM 381 C GLU A 26 -3.013 -7.239 12.837 1.00 0.00 C ATOM 382 O GLU A 26 -2.178 -6.344 12.783 1.00 0.00 O ATOM 383 CB GLU A 26 -2.347 -9.620 12.497 1.00 0.00 C ATOM 384 CG GLU A 26 -1.919 -10.932 13.125 1.00 0.00 C ATOM 385 CD GLU A 26 -1.678 -12.018 12.109 1.00 0.00 C ATOM 386 OE1 GLU A 26 -0.501 -12.321 11.824 1.00 0.00 O ATOM 387 OE2 GLU A 26 -2.672 -12.593 11.604 1.00 0.00 O ATOM 0 H GLU A 26 -4.340 -9.829 13.876 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.886 -8.417 14.212 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.200 -9.799 11.842 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.538 -9.243 11.871 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.008 -10.773 13.702 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.686 -11.261 13.826 1.00 0.00 H new ATOM 394 N ILE A 27 -4.219 -7.144 12.334 1.00 0.00 N ATOM 395 CA ILE A 27 -4.705 -5.972 11.642 1.00 0.00 C ATOM 396 C ILE A 27 -4.765 -4.758 12.578 1.00 0.00 C ATOM 397 O ILE A 27 -4.327 -3.664 12.222 1.00 0.00 O ATOM 398 CB ILE A 27 -6.096 -6.269 11.038 1.00 0.00 C ATOM 399 CG1 ILE A 27 -5.942 -7.282 9.895 1.00 0.00 C ATOM 400 CG2 ILE A 27 -6.770 -4.990 10.544 1.00 0.00 C ATOM 401 CD1 ILE A 27 -7.244 -7.881 9.423 1.00 0.00 C ATOM 0 H ILE A 27 -4.907 -7.895 12.395 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.011 -5.728 10.838 1.00 0.00 H new ATOM 0 HB ILE A 27 -6.736 -6.692 11.813 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.454 -6.792 9.053 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.282 -8.086 10.222 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.747 -5.232 10.125 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.894 -4.299 11.378 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.151 -4.525 9.777 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.048 -8.586 8.615 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -7.726 -8.402 10.250 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.900 -7.088 9.062 1.00 0.00 H new ATOM 413 N LYS A 28 -5.289 -4.972 13.779 1.00 0.00 N ATOM 414 CA LYS A 28 -5.414 -3.935 14.771 1.00 0.00 C ATOM 415 C LYS A 28 -4.045 -3.384 15.172 1.00 0.00 C ATOM 416 O LYS A 28 -3.837 -2.170 15.209 1.00 0.00 O ATOM 417 CB LYS A 28 -6.122 -4.516 15.993 1.00 0.00 C ATOM 418 CG LYS A 28 -6.180 -3.591 17.183 1.00 0.00 C ATOM 419 CD LYS A 28 -7.084 -2.386 16.953 1.00 0.00 C ATOM 420 CE LYS A 28 -8.543 -2.799 16.857 1.00 0.00 C ATOM 421 NZ LYS A 28 -9.452 -1.628 16.816 1.00 0.00 N ATOM 0 H LYS A 28 -5.639 -5.880 14.085 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.992 -3.110 14.354 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.139 -4.789 15.712 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.615 -5.435 16.288 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.536 -4.146 18.051 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.173 -3.244 17.417 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.959 -1.674 17.769 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.787 -1.876 16.036 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.690 -3.403 15.962 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.799 -3.426 17.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.370 -1.886 17.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.034 -0.845 17.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.591 -1.331 15.829 1.00 0.00 H new ATOM 435 N LYS A 29 -3.113 -4.282 15.457 1.00 0.00 N ATOM 436 CA LYS A 29 -1.790 -3.875 15.883 1.00 0.00 C ATOM 437 C LYS A 29 -1.017 -3.235 14.747 1.00 0.00 C ATOM 438 O LYS A 29 -0.244 -2.307 14.961 1.00 0.00 O ATOM 439 CB LYS A 29 -1.019 -5.046 16.502 1.00 0.00 C ATOM 440 CG LYS A 29 -0.820 -6.229 15.571 1.00 0.00 C ATOM 441 CD LYS A 29 -0.150 -7.393 16.284 1.00 0.00 C ATOM 442 CE LYS A 29 1.250 -7.035 16.763 1.00 0.00 C ATOM 443 NZ LYS A 29 1.912 -8.182 17.429 1.00 0.00 N ATOM 0 H LYS A 29 -3.251 -5.291 15.400 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.911 -3.119 16.659 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.043 -4.689 16.830 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.550 -5.385 17.392 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.784 -6.549 15.177 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.212 -5.925 14.719 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.759 -7.696 17.136 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.096 -8.248 15.611 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.853 -6.709 15.915 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.194 -6.195 17.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.863 -7.900 17.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.350 -8.477 18.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.988 -8.975 16.760 1.00 0.00 H new ATOM 457 N ALA A 30 -1.218 -3.735 13.544 1.00 0.00 N ATOM 458 CA ALA A 30 -0.617 -3.149 12.378 1.00 0.00 C ATOM 459 C ALA A 30 -1.128 -1.752 12.184 1.00 0.00 C ATOM 460 O ALA A 30 -0.374 -0.849 11.858 1.00 0.00 O ATOM 461 CB ALA A 30 -0.894 -3.981 11.156 1.00 0.00 C ATOM 0 H ALA A 30 -1.799 -4.552 13.355 1.00 0.00 H new ATOM 0 HA ALA A 30 0.462 -3.115 12.527 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.429 -3.517 10.287 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.484 -4.981 11.296 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.970 -4.049 10.998 1.00 0.00 H new ATOM 467 N TYR A 31 -2.422 -1.575 12.393 1.00 0.00 N ATOM 468 CA TYR A 31 -3.031 -0.277 12.294 1.00 0.00 C ATOM 469 C TYR A 31 -2.458 0.655 13.340 1.00 0.00 C ATOM 470 O TYR A 31 -2.045 1.772 13.027 1.00 0.00 O ATOM 471 CB TYR A 31 -4.552 -0.377 12.430 1.00 0.00 C ATOM 472 CG TYR A 31 -5.252 0.964 12.505 1.00 0.00 C ATOM 473 CD1 TYR A 31 -5.319 1.800 11.397 1.00 0.00 C ATOM 474 CD2 TYR A 31 -5.855 1.390 13.683 1.00 0.00 C ATOM 475 CE1 TYR A 31 -5.967 3.020 11.461 1.00 0.00 C ATOM 476 CE2 TYR A 31 -6.503 2.607 13.754 1.00 0.00 C ATOM 477 CZ TYR A 31 -6.557 3.417 12.642 1.00 0.00 C ATOM 478 OH TYR A 31 -7.208 4.630 12.709 1.00 0.00 O ATOM 0 H TYR A 31 -3.068 -2.327 12.634 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.809 0.133 11.309 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.947 -0.935 11.581 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -4.790 -0.950 13.326 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.857 1.492 10.471 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -5.816 0.758 14.558 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.011 3.658 10.591 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.965 2.922 14.678 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.569 4.758 13.611 1.00 0.00 H new ATOM 488 N ARG A 32 -2.412 0.184 14.591 1.00 0.00 N ATOM 489 CA ARG A 32 -1.914 1.010 15.670 1.00 0.00 C ATOM 490 C ARG A 32 -0.441 1.348 15.478 1.00 0.00 C ATOM 491 O ARG A 32 -0.032 2.461 15.754 1.00 0.00 O ATOM 492 CB ARG A 32 -2.198 0.391 17.073 1.00 0.00 C ATOM 493 CG ARG A 32 -1.376 -0.840 17.449 1.00 0.00 C ATOM 494 CD ARG A 32 -0.057 -0.473 18.137 1.00 0.00 C ATOM 495 NE ARG A 32 -0.263 0.282 19.382 1.00 0.00 N ATOM 496 CZ ARG A 32 -0.421 -0.268 20.597 1.00 0.00 C ATOM 497 NH1 ARG A 32 -0.430 -1.590 20.748 1.00 0.00 N ATOM 498 NH2 ARG A 32 -0.578 0.511 21.660 1.00 0.00 N ATOM 0 H ARG A 32 -2.711 -0.751 14.868 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.468 1.948 15.635 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.027 1.160 17.827 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.254 0.125 17.122 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.963 -1.477 18.111 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.165 -1.421 16.551 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.501 -1.384 18.356 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.553 0.118 17.454 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.288 1.300 19.318 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.316 -2.197 19.936 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.551 -1.997 21.676 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.579 1.525 21.553 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.698 0.095 22.584 1.00 0.00 H new ATOM 512 N LYS A 33 0.353 0.401 14.974 1.00 0.00 N ATOM 513 CA LYS A 33 1.764 0.690 14.751 1.00 0.00 C ATOM 514 C LYS A 33 1.943 1.573 13.541 1.00 0.00 C ATOM 515 O LYS A 33 2.649 2.537 13.606 1.00 0.00 O ATOM 516 CB LYS A 33 2.625 -0.588 14.637 1.00 0.00 C ATOM 517 CG LYS A 33 2.454 -1.367 13.350 1.00 0.00 C ATOM 518 CD LYS A 33 3.324 -2.614 13.339 1.00 0.00 C ATOM 519 CE LYS A 33 3.185 -3.388 12.035 1.00 0.00 C ATOM 520 NZ LYS A 33 4.041 -4.598 12.020 1.00 0.00 N ATOM 0 H LYS A 33 0.054 -0.541 14.721 1.00 0.00 H new ATOM 0 HA LYS A 33 2.120 1.226 15.631 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.674 -0.310 14.738 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.386 -1.244 15.474 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.408 -1.650 13.230 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.712 -0.733 12.502 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.367 -2.331 13.485 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.048 -3.257 14.175 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.144 -3.677 11.893 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.453 -2.742 11.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.919 -5.098 11.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.037 -4.320 12.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.768 -5.226 12.803 1.00 0.00 H new ATOM 534 N CYS A 34 1.250 1.277 12.455 1.00 0.00 N ATOM 535 CA CYS A 34 1.411 2.067 11.241 1.00 0.00 C ATOM 536 C CYS A 34 1.016 3.517 11.484 1.00 0.00 C ATOM 537 O CYS A 34 1.754 4.443 11.125 1.00 0.00 O ATOM 538 CB CYS A 34 0.590 1.482 10.092 1.00 0.00 C ATOM 539 SG CYS A 34 0.799 2.351 8.519 1.00 0.00 S ATOM 0 H CYS A 34 0.581 0.510 12.385 1.00 0.00 H new ATOM 0 HA CYS A 34 2.464 2.035 10.961 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.867 0.436 9.957 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.465 1.499 10.367 1.00 0.00 H new ATOM 0 HG CYS A 34 0.259 1.654 7.563 1.00 0.00 H new ATOM 545 N ALA A 35 -0.142 3.710 12.100 1.00 0.00 N ATOM 546 CA ALA A 35 -0.630 5.042 12.397 1.00 0.00 C ATOM 547 C ALA A 35 0.299 5.777 13.366 1.00 0.00 C ATOM 548 O ALA A 35 0.655 6.911 13.135 1.00 0.00 O ATOM 549 CB ALA A 35 -2.038 4.966 12.969 1.00 0.00 C ATOM 0 H ALA A 35 -0.759 2.957 12.403 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.651 5.608 11.466 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.396 5.972 13.189 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.701 4.496 12.243 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.027 4.376 13.886 1.00 0.00 H new ATOM 555 N LEU A 36 0.699 5.102 14.437 1.00 0.00 N ATOM 556 CA LEU A 36 1.580 5.708 15.432 1.00 0.00 C ATOM 557 C LEU A 36 2.981 5.976 14.889 1.00 0.00 C ATOM 558 O LEU A 36 3.597 6.974 15.219 1.00 0.00 O ATOM 559 CB LEU A 36 1.647 4.867 16.704 1.00 0.00 C ATOM 560 CG LEU A 36 0.370 4.841 17.550 1.00 0.00 C ATOM 561 CD1 LEU A 36 0.509 3.850 18.692 1.00 0.00 C ATOM 562 CD2 LEU A 36 0.052 6.231 18.088 1.00 0.00 C ATOM 0 H LEU A 36 0.430 4.139 14.640 1.00 0.00 H new ATOM 0 HA LEU A 36 1.141 6.674 15.681 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.899 3.843 16.428 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.463 5.241 17.322 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.455 4.523 16.913 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.407 3.845 19.283 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.687 2.853 18.289 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.347 4.140 19.325 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.858 6.190 18.686 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.878 6.579 18.708 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.091 6.919 17.255 1.00 0.00 H new ATOM 574 N LYS A 37 3.480 5.071 14.087 1.00 0.00 N ATOM 575 CA LYS A 37 4.813 5.201 13.519 1.00 0.00 C ATOM 576 C LYS A 37 4.932 6.373 12.531 1.00 0.00 C ATOM 577 O LYS A 37 5.945 7.064 12.516 1.00 0.00 O ATOM 578 CB LYS A 37 5.228 3.886 12.844 1.00 0.00 C ATOM 579 CG LYS A 37 5.493 2.751 13.834 1.00 0.00 C ATOM 580 CD LYS A 37 5.666 1.412 13.134 1.00 0.00 C ATOM 581 CE LYS A 37 6.901 1.398 12.243 1.00 0.00 C ATOM 582 NZ LYS A 37 7.101 0.082 11.589 1.00 0.00 N ATOM 0 H LYS A 37 2.984 4.225 13.806 1.00 0.00 H new ATOM 0 HA LYS A 37 5.491 5.420 14.344 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.444 3.579 12.152 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.127 4.058 12.252 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.389 2.976 14.412 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.666 2.686 14.541 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.745 0.620 13.878 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.782 1.198 12.534 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.806 2.171 11.480 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.780 1.644 12.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.952 0.117 10.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.217 -0.653 12.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.274 -0.142 11.000 1.00 0.00 H new ATOM 596 N TYR A 38 3.912 6.570 11.690 1.00 0.00 N ATOM 597 CA TYR A 38 3.964 7.625 10.664 1.00 0.00 C ATOM 598 C TYR A 38 2.900 8.721 10.822 1.00 0.00 C ATOM 599 O TYR A 38 2.612 9.443 9.869 1.00 0.00 O ATOM 600 CB TYR A 38 3.882 6.981 9.286 1.00 0.00 C ATOM 601 CG TYR A 38 5.068 6.093 8.986 1.00 0.00 C ATOM 602 CD1 TYR A 38 5.036 4.733 9.279 1.00 0.00 C ATOM 603 CD2 TYR A 38 6.225 6.615 8.422 1.00 0.00 C ATOM 604 CE1 TYR A 38 6.123 3.921 9.012 1.00 0.00 C ATOM 605 CE2 TYR A 38 7.315 5.809 8.153 1.00 0.00 C ATOM 606 CZ TYR A 38 7.258 4.464 8.449 1.00 0.00 C ATOM 607 OH TYR A 38 8.339 3.657 8.176 1.00 0.00 O ATOM 0 H TYR A 38 3.051 6.024 11.695 1.00 0.00 H new ATOM 0 HA TYR A 38 4.915 8.142 10.792 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.967 6.393 9.218 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.817 7.761 8.528 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.149 4.305 9.722 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.274 7.669 8.190 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.083 2.867 9.243 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.207 6.231 7.713 1.00 0.00 H new ATOM 0 HH TYR A 38 9.057 4.194 7.780 1.00 0.00 H new ATOM 617 N HIS A 39 2.330 8.849 12.005 1.00 0.00 N ATOM 618 CA HIS A 39 1.318 9.884 12.263 1.00 0.00 C ATOM 619 C HIS A 39 1.860 11.305 12.009 1.00 0.00 C ATOM 620 O HIS A 39 2.979 11.632 12.385 1.00 0.00 O ATOM 621 CB HIS A 39 0.767 9.755 13.694 1.00 0.00 C ATOM 622 CG HIS A 39 1.804 9.829 14.781 1.00 0.00 C ATOM 623 ND1 HIS A 39 1.486 9.980 16.109 1.00 0.00 N ATOM 624 CD2 HIS A 39 3.153 9.751 14.733 1.00 0.00 C ATOM 625 CE1 HIS A 39 2.588 9.992 16.825 1.00 0.00 C ATOM 626 NE2 HIS A 39 3.614 9.851 16.016 1.00 0.00 N ATOM 0 H HIS A 39 2.542 8.256 12.808 1.00 0.00 H new ATOM 0 HA HIS A 39 0.503 9.724 11.558 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.033 10.544 13.858 1.00 0.00 H new ATOM 0 HB3 HIS A 39 0.239 8.806 13.780 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.755 9.632 13.845 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.641 10.100 17.898 1.00 0.00 H new ATOM 0 HE2 HIS A 39 4.594 9.821 16.299 1.00 0.00 H new ATOM 634 N PRO A 40 1.027 12.169 11.405 1.00 0.00 N ATOM 635 CA PRO A 40 1.417 13.537 10.992 1.00 0.00 C ATOM 636 C PRO A 40 1.797 14.478 12.143 1.00 0.00 C ATOM 637 O PRO A 40 2.481 15.479 11.923 1.00 0.00 O ATOM 638 CB PRO A 40 0.167 14.059 10.270 1.00 0.00 C ATOM 639 CG PRO A 40 -0.950 13.237 10.806 1.00 0.00 C ATOM 640 CD PRO A 40 -0.376 11.878 11.053 1.00 0.00 C ATOM 0 HA PRO A 40 2.321 13.505 10.384 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.009 15.119 10.468 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.258 13.947 9.190 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.345 13.667 11.726 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.776 13.189 10.096 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.896 11.361 11.860 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.447 11.243 10.170 1.00 0.00 H new ATOM 648 N ASP A 41 1.371 14.166 13.358 1.00 0.00 N ATOM 649 CA ASP A 41 1.663 15.030 14.507 1.00 0.00 C ATOM 650 C ASP A 41 3.094 14.847 15.012 1.00 0.00 C ATOM 651 O ASP A 41 3.555 15.595 15.876 1.00 0.00 O ATOM 652 CB ASP A 41 0.654 14.817 15.642 1.00 0.00 C ATOM 653 CG ASP A 41 0.592 13.395 16.121 1.00 0.00 C ATOM 654 OD1 ASP A 41 0.263 12.513 15.306 1.00 0.00 O ATOM 655 OD2 ASP A 41 0.840 13.156 17.321 1.00 0.00 O ATOM 0 H ASP A 41 0.827 13.332 13.579 1.00 0.00 H new ATOM 0 HA ASP A 41 1.567 16.058 14.158 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.917 15.464 16.479 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.335 15.122 15.302 1.00 0.00 H new ATOM 660 N LYS A 42 3.800 13.879 14.451 1.00 0.00 N ATOM 661 CA LYS A 42 5.204 13.648 14.801 1.00 0.00 C ATOM 662 C LYS A 42 6.022 13.468 13.543 1.00 0.00 C ATOM 663 O LYS A 42 7.174 13.897 13.461 1.00 0.00 O ATOM 664 CB LYS A 42 5.370 12.444 15.731 1.00 0.00 C ATOM 665 CG LYS A 42 4.768 12.640 17.119 1.00 0.00 C ATOM 666 CD LYS A 42 5.468 13.751 17.897 1.00 0.00 C ATOM 667 CE LYS A 42 6.909 13.386 18.226 1.00 0.00 C ATOM 668 NZ LYS A 42 7.583 14.444 19.019 1.00 0.00 N ATOM 0 H LYS A 42 3.430 13.237 13.750 1.00 0.00 H new ATOM 0 HA LYS A 42 5.564 14.522 15.343 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.908 11.573 15.266 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.432 12.223 15.836 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.708 12.877 17.024 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.837 11.707 17.679 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.450 14.671 17.313 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.923 13.948 18.820 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.928 12.449 18.782 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.461 13.219 17.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.562 14.156 19.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.588 15.333 18.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.072 14.586 19.914 1.00 0.00 H new ATOM 682 N ASN A 43 5.405 12.851 12.559 1.00 0.00 N ATOM 683 CA ASN A 43 6.007 12.649 11.269 1.00 0.00 C ATOM 684 C ASN A 43 5.474 13.706 10.318 1.00 0.00 C ATOM 685 O ASN A 43 4.319 13.652 9.895 1.00 0.00 O ATOM 686 CB ASN A 43 5.663 11.249 10.758 1.00 0.00 C ATOM 687 CG ASN A 43 6.219 10.158 11.646 1.00 0.00 C ATOM 688 OD1 ASN A 43 5.637 9.822 12.677 1.00 0.00 O ATOM 689 ND2 ASN A 43 7.340 9.589 11.247 1.00 0.00 N ATOM 0 H ASN A 43 4.461 12.473 12.638 1.00 0.00 H new ATOM 0 HA ASN A 43 7.091 12.735 11.338 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.580 11.145 10.694 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.055 11.127 9.748 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.757 8.840 11.800 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.790 9.898 10.385 1.00 0.00 H new ATOM 696 N PRO A 44 6.306 14.695 9.982 1.00 0.00 N ATOM 697 CA PRO A 44 5.896 15.827 9.150 1.00 0.00 C ATOM 698 C PRO A 44 5.764 15.474 7.679 1.00 0.00 C ATOM 699 O PRO A 44 5.169 16.222 6.908 1.00 0.00 O ATOM 700 CB PRO A 44 7.029 16.828 9.352 1.00 0.00 C ATOM 701 CG PRO A 44 8.223 15.975 9.587 1.00 0.00 C ATOM 702 CD PRO A 44 7.729 14.792 10.377 1.00 0.00 C ATOM 0 HA PRO A 44 4.910 16.195 9.432 1.00 0.00 H new ATOM 0 HB2 PRO A 44 7.159 17.465 8.477 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.835 17.485 10.199 1.00 0.00 H new ATOM 0 HG2 PRO A 44 8.669 15.658 8.644 1.00 0.00 H new ATOM 0 HG3 PRO A 44 8.991 16.519 10.136 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.279 13.884 10.129 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.840 14.949 11.450 1.00 0.00 H new ATOM 710 N SER A 45 6.310 14.340 7.293 1.00 0.00 N ATOM 711 CA SER A 45 6.319 13.947 5.910 1.00 0.00 C ATOM 712 C SER A 45 4.913 13.703 5.407 1.00 0.00 C ATOM 713 O SER A 45 4.097 13.046 6.061 1.00 0.00 O ATOM 714 CB SER A 45 7.131 12.698 5.727 1.00 0.00 C ATOM 715 OG SER A 45 8.235 12.674 6.629 1.00 0.00 O ATOM 0 H SER A 45 6.754 13.675 7.926 1.00 0.00 H new ATOM 0 HA SER A 45 6.764 14.760 5.337 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.502 11.823 5.892 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.493 12.642 4.700 1.00 0.00 H new ATOM 0 HG SER A 45 8.750 11.851 6.494 1.00 0.00 H new ATOM 721 N GLU A 46 4.653 14.235 4.258 1.00 0.00 N ATOM 722 CA GLU A 46 3.369 14.102 3.599 1.00 0.00 C ATOM 723 C GLU A 46 3.096 12.640 3.292 1.00 0.00 C ATOM 724 O GLU A 46 1.978 12.164 3.436 1.00 0.00 O ATOM 725 CB GLU A 46 3.347 14.937 2.312 1.00 0.00 C ATOM 726 CG GLU A 46 3.382 16.450 2.545 1.00 0.00 C ATOM 727 CD GLU A 46 4.709 16.936 3.114 1.00 0.00 C ATOM 728 OE1 GLU A 46 5.761 16.358 2.768 1.00 0.00 O ATOM 729 OE2 GLU A 46 4.705 17.891 3.921 1.00 0.00 O ATOM 0 H GLU A 46 5.330 14.786 3.731 1.00 0.00 H new ATOM 0 HA GLU A 46 2.587 14.471 4.262 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.201 14.656 1.695 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.449 14.688 1.746 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.189 16.961 1.602 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.578 16.725 3.228 1.00 0.00 H new ATOM 736 N GLU A 47 4.150 11.944 2.891 1.00 0.00 N ATOM 737 CA GLU A 47 4.098 10.516 2.601 1.00 0.00 C ATOM 738 C GLU A 47 3.694 9.738 3.838 1.00 0.00 C ATOM 739 O GLU A 47 2.947 8.772 3.760 1.00 0.00 O ATOM 740 CB GLU A 47 5.463 10.036 2.177 1.00 0.00 C ATOM 741 CG GLU A 47 5.940 10.561 0.840 1.00 0.00 C ATOM 742 CD GLU A 47 7.302 10.015 0.476 1.00 0.00 C ATOM 743 OE1 GLU A 47 7.384 8.843 0.042 1.00 0.00 O ATOM 744 OE2 GLU A 47 8.306 10.747 0.634 1.00 0.00 O ATOM 0 H GLU A 47 5.073 12.356 2.756 1.00 0.00 H new ATOM 0 HA GLU A 47 3.368 10.356 1.807 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.186 10.322 2.941 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.453 8.947 2.140 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.221 10.291 0.066 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.981 11.650 0.871 1.00 0.00 H new ATOM 751 N ALA A 48 4.210 10.163 4.977 1.00 0.00 N ATOM 752 CA ALA A 48 3.905 9.518 6.245 1.00 0.00 C ATOM 753 C ALA A 48 2.434 9.628 6.522 1.00 0.00 C ATOM 754 O ALA A 48 1.783 8.678 6.957 1.00 0.00 O ATOM 755 CB ALA A 48 4.719 10.140 7.370 1.00 0.00 C ATOM 0 H ALA A 48 4.846 10.957 5.052 1.00 0.00 H new ATOM 0 HA ALA A 48 4.173 8.463 6.185 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.478 9.645 8.311 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.782 10.020 7.159 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.482 11.201 7.447 1.00 0.00 H new ATOM 761 N ALA A 49 1.922 10.790 6.238 1.00 0.00 N ATOM 762 CA ALA A 49 0.504 11.066 6.367 1.00 0.00 C ATOM 763 C ALA A 49 -0.293 10.195 5.400 1.00 0.00 C ATOM 764 O ALA A 49 -1.375 9.703 5.729 1.00 0.00 O ATOM 765 CB ALA A 49 0.222 12.541 6.128 1.00 0.00 C ATOM 0 H ALA A 49 2.472 11.583 5.908 1.00 0.00 H new ATOM 0 HA ALA A 49 0.192 10.825 7.383 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.847 12.728 6.229 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.766 13.139 6.860 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.545 12.815 5.124 1.00 0.00 H new ATOM 771 N GLU A 50 0.255 10.017 4.196 1.00 0.00 N ATOM 772 CA GLU A 50 -0.372 9.183 3.175 1.00 0.00 C ATOM 773 C GLU A 50 -0.457 7.751 3.679 1.00 0.00 C ATOM 774 O GLU A 50 -1.474 7.079 3.522 1.00 0.00 O ATOM 775 CB GLU A 50 0.459 9.201 1.891 1.00 0.00 C ATOM 776 CG GLU A 50 0.658 10.579 1.306 1.00 0.00 C ATOM 777 CD GLU A 50 1.249 10.548 -0.088 1.00 0.00 C ATOM 778 OE1 GLU A 50 0.694 11.218 -0.988 1.00 0.00 O ATOM 779 OE2 GLU A 50 2.256 9.845 -0.301 1.00 0.00 O ATOM 0 H GLU A 50 1.135 10.442 3.906 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.368 9.573 2.967 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.435 8.760 2.096 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.026 8.569 1.148 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.300 11.098 1.277 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.313 11.155 1.960 1.00 0.00 H new ATOM 786 N LYS A 51 0.619 7.316 4.313 1.00 0.00 N ATOM 787 CA LYS A 51 0.707 5.977 4.893 1.00 0.00 C ATOM 788 C LYS A 51 -0.339 5.802 5.974 1.00 0.00 C ATOM 789 O LYS A 51 -0.953 4.745 6.098 1.00 0.00 O ATOM 790 CB LYS A 51 2.087 5.764 5.493 1.00 0.00 C ATOM 791 CG LYS A 51 3.193 5.661 4.468 1.00 0.00 C ATOM 792 CD LYS A 51 4.556 5.612 5.132 1.00 0.00 C ATOM 793 CE LYS A 51 4.722 4.364 5.993 1.00 0.00 C ATOM 794 NZ LYS A 51 4.597 3.115 5.196 1.00 0.00 N ATOM 0 H LYS A 51 1.460 7.879 4.443 1.00 0.00 H new ATOM 0 HA LYS A 51 0.533 5.245 4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.309 6.589 6.170 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.075 4.854 6.092 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.049 4.766 3.862 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.146 6.515 3.792 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.333 5.633 4.368 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.692 6.500 5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.697 4.387 6.480 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.971 4.366 6.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.930 2.308 5.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.601 2.968 4.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.173 3.194 4.334 1.00 0.00 H new ATOM 808 N PHE A 52 -0.525 6.851 6.755 1.00 0.00 N ATOM 809 CA PHE A 52 -1.515 6.872 7.808 1.00 0.00 C ATOM 810 C PHE A 52 -2.907 6.641 7.207 1.00 0.00 C ATOM 811 O PHE A 52 -3.683 5.817 7.696 1.00 0.00 O ATOM 812 CB PHE A 52 -1.460 8.233 8.525 1.00 0.00 C ATOM 813 CG PHE A 52 -2.418 8.375 9.678 1.00 0.00 C ATOM 814 CD1 PHE A 52 -2.014 8.090 10.968 1.00 0.00 C ATOM 815 CD2 PHE A 52 -3.725 8.792 9.468 1.00 0.00 C ATOM 816 CE1 PHE A 52 -2.890 8.219 12.027 1.00 0.00 C ATOM 817 CE2 PHE A 52 -4.604 8.920 10.522 1.00 0.00 C ATOM 818 CZ PHE A 52 -4.187 8.634 11.804 1.00 0.00 C ATOM 0 H PHE A 52 0.011 7.715 6.673 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.309 6.080 8.529 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.446 8.395 8.891 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.667 9.019 7.799 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.001 7.762 11.150 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.058 9.019 8.466 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.560 7.995 13.031 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.619 9.244 10.343 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.873 8.734 12.632 1.00 0.00 H new ATOM 828 N LYS A 53 -3.203 7.373 6.137 1.00 0.00 N ATOM 829 CA LYS A 53 -4.481 7.257 5.443 1.00 0.00 C ATOM 830 C LYS A 53 -4.660 5.879 4.797 1.00 0.00 C ATOM 831 O LYS A 53 -5.761 5.322 4.797 1.00 0.00 O ATOM 832 CB LYS A 53 -4.637 8.369 4.404 1.00 0.00 C ATOM 833 CG LYS A 53 -4.713 9.765 5.010 1.00 0.00 C ATOM 834 CD LYS A 53 -5.925 9.902 5.919 1.00 0.00 C ATOM 835 CE LYS A 53 -6.034 11.294 6.512 1.00 0.00 C ATOM 836 NZ LYS A 53 -7.205 11.414 7.418 1.00 0.00 N ATOM 0 H LYS A 53 -2.568 8.059 5.729 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.267 7.368 6.190 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.796 8.328 3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.539 8.186 3.821 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.805 9.969 5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.766 10.508 4.214 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.830 9.676 5.354 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.860 9.169 6.723 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.123 11.528 7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.118 12.026 5.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.247 12.379 7.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.077 11.215 6.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.112 10.732 8.198 1.00 0.00 H new ATOM 850 N GLU A 54 -3.596 5.339 4.231 1.00 0.00 N ATOM 851 CA GLU A 54 -3.658 4.008 3.640 1.00 0.00 C ATOM 852 C GLU A 54 -3.918 2.974 4.715 1.00 0.00 C ATOM 853 O GLU A 54 -4.686 2.029 4.517 1.00 0.00 O ATOM 854 CB GLU A 54 -2.371 3.685 2.905 1.00 0.00 C ATOM 855 CG GLU A 54 -2.158 4.540 1.685 1.00 0.00 C ATOM 856 CD GLU A 54 -0.866 4.226 0.965 1.00 0.00 C ATOM 857 OE1 GLU A 54 0.213 4.326 1.587 1.00 0.00 O ATOM 858 OE2 GLU A 54 -0.919 3.880 -0.233 1.00 0.00 O ATOM 0 H GLU A 54 -2.685 5.794 4.166 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.477 3.988 2.921 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.529 3.816 3.585 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.382 2.636 2.609 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.994 4.400 0.999 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.159 5.590 1.979 1.00 0.00 H new ATOM 865 N ALA A 55 -3.288 3.179 5.864 1.00 0.00 N ATOM 866 CA ALA A 55 -3.437 2.290 6.994 1.00 0.00 C ATOM 867 C ALA A 55 -4.867 2.290 7.481 1.00 0.00 C ATOM 868 O ALA A 55 -5.418 1.243 7.820 1.00 0.00 O ATOM 869 CB ALA A 55 -2.504 2.699 8.118 1.00 0.00 C ATOM 0 H ALA A 55 -2.662 3.966 6.033 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.177 1.281 6.673 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.629 2.019 8.961 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.473 2.657 7.768 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.739 3.715 8.434 1.00 0.00 H new ATOM 875 N SER A 56 -5.478 3.470 7.504 1.00 0.00 N ATOM 876 CA SER A 56 -6.827 3.591 7.962 1.00 0.00 C ATOM 877 C SER A 56 -7.805 2.922 6.999 1.00 0.00 C ATOM 878 O SER A 56 -8.731 2.261 7.434 1.00 0.00 O ATOM 879 CB SER A 56 -7.190 5.060 8.237 1.00 0.00 C ATOM 880 OG SER A 56 -7.052 5.871 7.084 1.00 0.00 O ATOM 0 H SER A 56 -5.048 4.346 7.208 1.00 0.00 H new ATOM 0 HA SER A 56 -6.909 3.060 8.910 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.217 5.117 8.598 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.551 5.448 9.030 1.00 0.00 H new ATOM 0 HG SER A 56 -6.635 5.351 6.366 1.00 0.00 H new ATOM 886 N ALA A 57 -7.577 3.063 5.683 1.00 0.00 N ATOM 887 CA ALA A 57 -8.457 2.422 4.691 1.00 0.00 C ATOM 888 C ALA A 57 -8.342 0.903 4.780 1.00 0.00 C ATOM 889 O ALA A 57 -9.344 0.165 4.692 1.00 0.00 O ATOM 890 CB ALA A 57 -8.126 2.904 3.286 1.00 0.00 C ATOM 0 H ALA A 57 -6.808 3.603 5.287 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.486 2.704 4.912 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.788 2.418 2.569 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.262 3.984 3.231 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.091 2.656 3.051 1.00 0.00 H new ATOM 896 N ALA A 58 -7.116 0.448 4.965 1.00 0.00 N ATOM 897 CA ALA A 58 -6.831 -0.957 5.123 1.00 0.00 C ATOM 898 C ALA A 58 -7.555 -1.467 6.332 1.00 0.00 C ATOM 899 O ALA A 58 -8.194 -2.491 6.289 1.00 0.00 O ATOM 900 CB ALA A 58 -5.339 -1.172 5.285 1.00 0.00 C ATOM 0 H ALA A 58 -6.292 1.048 5.009 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.165 -1.499 4.238 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.136 -2.236 5.404 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.820 -0.799 4.402 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.988 -0.635 6.166 1.00 0.00 H new ATOM 906 N TYR A 59 -7.486 -0.698 7.394 1.00 0.00 N ATOM 907 CA TYR A 59 -8.175 -0.998 8.627 1.00 0.00 C ATOM 908 C TYR A 59 -9.676 -1.054 8.406 1.00 0.00 C ATOM 909 O TYR A 59 -10.347 -1.900 8.947 1.00 0.00 O ATOM 910 CB TYR A 59 -7.826 0.047 9.684 1.00 0.00 C ATOM 911 CG TYR A 59 -8.552 -0.109 10.996 1.00 0.00 C ATOM 912 CD1 TYR A 59 -8.148 -1.049 11.932 1.00 0.00 C ATOM 913 CD2 TYR A 59 -9.640 0.696 11.301 1.00 0.00 C ATOM 914 CE1 TYR A 59 -8.811 -1.184 13.134 1.00 0.00 C ATOM 915 CE2 TYR A 59 -10.307 0.568 12.496 1.00 0.00 C ATOM 916 CZ TYR A 59 -9.891 -0.370 13.410 1.00 0.00 C ATOM 917 OH TYR A 59 -10.559 -0.499 14.601 1.00 0.00 O ATOM 0 H TYR A 59 -6.943 0.165 7.426 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.851 -1.977 8.979 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.753 0.008 9.872 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.043 1.036 9.281 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.302 -1.685 11.717 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.969 1.436 10.587 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.487 -1.921 13.854 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -11.154 1.201 12.715 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.293 0.150 14.637 1.00 0.00 H new ATOM 927 N GLU A 60 -10.183 -0.162 7.591 1.00 0.00 N ATOM 928 CA GLU A 60 -11.611 -0.068 7.361 1.00 0.00 C ATOM 929 C GLU A 60 -12.175 -1.382 6.806 1.00 0.00 C ATOM 930 O GLU A 60 -13.254 -1.808 7.202 1.00 0.00 O ATOM 931 CB GLU A 60 -11.927 1.068 6.387 1.00 0.00 C ATOM 932 CG GLU A 60 -11.621 2.453 6.927 1.00 0.00 C ATOM 933 CD GLU A 60 -12.323 2.751 8.237 1.00 0.00 C ATOM 934 OE1 GLU A 60 -13.559 2.586 8.312 1.00 0.00 O ATOM 935 OE2 GLU A 60 -11.648 3.173 9.194 1.00 0.00 O ATOM 0 H GLU A 60 -9.626 0.516 7.070 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.081 0.137 8.323 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.358 0.914 5.470 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.983 1.019 6.120 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.545 2.551 7.068 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.915 3.198 6.187 1.00 0.00 H new ATOM 942 N ILE A 61 -11.449 -2.016 5.891 1.00 0.00 N ATOM 943 CA ILE A 61 -11.913 -3.280 5.310 1.00 0.00 C ATOM 944 C ILE A 61 -11.374 -4.477 6.059 1.00 0.00 C ATOM 945 O ILE A 61 -12.108 -5.393 6.387 1.00 0.00 O ATOM 946 CB ILE A 61 -11.568 -3.377 3.806 1.00 0.00 C ATOM 947 CG1 ILE A 61 -10.073 -3.137 3.566 1.00 0.00 C ATOM 948 CG2 ILE A 61 -12.409 -2.390 3.008 1.00 0.00 C ATOM 949 CD1 ILE A 61 -9.649 -3.334 2.132 1.00 0.00 C ATOM 0 H ILE A 61 -10.551 -1.686 5.537 1.00 0.00 H new ATOM 0 HA ILE A 61 -12.999 -3.289 5.408 1.00 0.00 H new ATOM 0 HB ILE A 61 -11.800 -4.386 3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -9.823 -2.121 3.873 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.499 -3.812 4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -12.156 -2.468 1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -13.466 -2.617 3.146 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -12.208 -1.377 3.355 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.579 -3.147 2.040 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.866 -4.357 1.826 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -10.195 -2.640 1.493 1.00 0.00 H new ATOM 961 N LEU A 62 -10.096 -4.456 6.323 1.00 0.00 N ATOM 962 CA LEU A 62 -9.427 -5.544 6.999 1.00 0.00 C ATOM 963 C LEU A 62 -9.940 -5.764 8.428 1.00 0.00 C ATOM 964 O LEU A 62 -10.086 -6.901 8.855 1.00 0.00 O ATOM 965 CB LEU A 62 -7.929 -5.309 6.971 1.00 0.00 C ATOM 966 CG LEU A 62 -7.303 -5.295 5.569 1.00 0.00 C ATOM 967 CD1 LEU A 62 -5.811 -5.050 5.643 1.00 0.00 C ATOM 968 CD2 LEU A 62 -7.601 -6.580 4.817 1.00 0.00 C ATOM 0 H LEU A 62 -9.482 -3.680 6.075 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.656 -6.465 6.463 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.716 -4.357 7.458 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.443 -6.085 7.562 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.756 -4.472 5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.393 -5.045 4.636 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.624 -4.087 6.119 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.341 -5.841 6.227 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.144 -6.538 3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.194 -7.427 5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.679 -6.699 4.713 1.00 0.00 H new ATOM 980 N SER A 63 -10.228 -4.682 9.159 1.00 0.00 N ATOM 981 CA SER A 63 -10.759 -4.800 10.529 1.00 0.00 C ATOM 982 C SER A 63 -12.179 -5.394 10.521 1.00 0.00 C ATOM 983 O SER A 63 -12.789 -5.603 11.573 1.00 0.00 O ATOM 984 CB SER A 63 -10.743 -3.446 11.244 1.00 0.00 C ATOM 985 OG SER A 63 -11.094 -3.577 12.615 1.00 0.00 O ATOM 0 H SER A 63 -10.106 -3.723 8.833 1.00 0.00 H new ATOM 0 HA SER A 63 -10.110 -5.481 11.079 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.751 -3.002 11.162 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.438 -2.766 10.753 1.00 0.00 H new ATOM 0 HG SER A 63 -11.754 -4.295 12.717 1.00 0.00 H new ATOM 991 N ASP A 64 -12.692 -5.642 9.329 1.00 0.00 N ATOM 992 CA ASP A 64 -13.964 -6.298 9.155 1.00 0.00 C ATOM 993 C ASP A 64 -13.707 -7.622 8.500 1.00 0.00 C ATOM 994 O ASP A 64 -13.431 -7.675 7.337 1.00 0.00 O ATOM 995 CB ASP A 64 -14.942 -5.474 8.301 1.00 0.00 C ATOM 996 CG ASP A 64 -15.553 -4.301 9.029 1.00 0.00 C ATOM 997 OD1 ASP A 64 -15.007 -3.190 8.953 1.00 0.00 O ATOM 998 OD2 ASP A 64 -16.616 -4.483 9.668 1.00 0.00 O ATOM 0 H ASP A 64 -12.232 -5.391 8.454 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.432 -6.419 10.132 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -14.418 -5.108 7.418 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -15.741 -6.127 7.950 1.00 0.00 H new ATOM 1003 N PRO A 65 -13.805 -8.703 9.250 1.00 0.00 N ATOM 1004 CA PRO A 65 -13.485 -10.066 8.775 1.00 0.00 C ATOM 1005 C PRO A 65 -14.216 -10.415 7.496 1.00 0.00 C ATOM 1006 O PRO A 65 -13.696 -11.123 6.636 1.00 0.00 O ATOM 1007 CB PRO A 65 -13.985 -10.944 9.909 1.00 0.00 C ATOM 1008 CG PRO A 65 -13.900 -10.073 11.106 1.00 0.00 C ATOM 1009 CD PRO A 65 -14.236 -8.695 10.638 1.00 0.00 C ATOM 0 HA PRO A 65 -12.426 -10.183 8.545 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -15.007 -11.280 9.732 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -13.371 -11.837 10.022 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.595 -10.403 11.878 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.901 -10.104 11.541 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.302 -8.488 10.728 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.714 -7.934 11.218 1.00 0.00 H new ATOM 1017 N GLU A 66 -15.397 -9.877 7.359 1.00 0.00 N ATOM 1018 CA GLU A 66 -16.218 -10.152 6.215 1.00 0.00 C ATOM 1019 C GLU A 66 -15.705 -9.397 5.014 1.00 0.00 C ATOM 1020 O GLU A 66 -15.724 -9.895 3.900 1.00 0.00 O ATOM 1021 CB GLU A 66 -17.668 -9.793 6.505 1.00 0.00 C ATOM 1022 CG GLU A 66 -17.853 -8.353 6.945 1.00 0.00 C ATOM 1023 CD GLU A 66 -19.300 -7.974 7.102 1.00 0.00 C ATOM 1024 OE1 GLU A 66 -20.055 -8.080 6.112 1.00 0.00 O ATOM 1025 OE2 GLU A 66 -19.693 -7.549 8.205 1.00 0.00 O ATOM 0 H GLU A 66 -15.815 -9.238 8.035 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.171 -11.218 5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -18.265 -9.972 5.611 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.051 -10.455 7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.336 -8.198 7.892 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -17.386 -7.692 6.215 1.00 0.00 H new ATOM 1032 N LYS A 67 -15.187 -8.218 5.265 1.00 0.00 N ATOM 1033 CA LYS A 67 -14.685 -7.368 4.240 1.00 0.00 C ATOM 1034 C LYS A 67 -13.262 -7.743 3.939 1.00 0.00 C ATOM 1035 O LYS A 67 -12.744 -7.476 2.871 1.00 0.00 O ATOM 1036 CB LYS A 67 -14.778 -5.933 4.721 1.00 0.00 C ATOM 1037 CG LYS A 67 -16.202 -5.479 5.013 1.00 0.00 C ATOM 1038 CD LYS A 67 -17.096 -5.613 3.789 1.00 0.00 C ATOM 1039 CE LYS A 67 -18.515 -5.156 4.085 1.00 0.00 C ATOM 1040 NZ LYS A 67 -19.413 -5.341 2.917 1.00 0.00 N ATOM 0 H LYS A 67 -15.107 -7.827 6.204 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.268 -7.477 3.325 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.178 -5.822 5.624 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.344 -5.277 3.967 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.613 -6.071 5.831 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -16.192 -4.441 5.345 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.685 -5.022 2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -17.108 -6.651 3.458 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -18.906 -5.715 4.935 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -18.505 -4.104 4.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -20.371 -5.017 3.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -19.055 -4.788 2.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -19.443 -6.348 2.658 1.00 0.00 H new ATOM 1054 N ARG A 68 -12.650 -8.367 4.908 1.00 0.00 N ATOM 1055 CA ARG A 68 -11.313 -8.853 4.811 1.00 0.00 C ATOM 1056 C ARG A 68 -11.292 -10.035 3.854 1.00 0.00 C ATOM 1057 O ARG A 68 -10.388 -10.170 3.047 1.00 0.00 O ATOM 1058 CB ARG A 68 -10.830 -9.285 6.195 1.00 0.00 C ATOM 1059 CG ARG A 68 -9.323 -9.203 6.382 1.00 0.00 C ATOM 1060 CD ARG A 68 -8.707 -10.563 6.685 1.00 0.00 C ATOM 1061 NE ARG A 68 -8.845 -11.500 5.565 1.00 0.00 N ATOM 1062 CZ ARG A 68 -8.489 -12.787 5.613 1.00 0.00 C ATOM 1063 NH1 ARG A 68 -7.897 -13.279 6.697 1.00 0.00 N ATOM 1064 NH2 ARG A 68 -8.702 -13.574 4.566 1.00 0.00 N ATOM 0 H ARG A 68 -13.086 -8.554 5.811 1.00 0.00 H new ATOM 0 HA ARG A 68 -10.652 -8.071 4.436 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.313 -8.661 6.947 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -11.152 -10.310 6.376 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.868 -8.793 5.480 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.096 -8.514 7.195 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.650 -10.436 6.921 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.183 -10.986 7.570 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.238 -11.146 4.693 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.713 -12.673 7.497 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.627 -14.262 6.729 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.138 -13.196 3.724 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.430 -14.556 4.603 1.00 0.00 H new ATOM 1078 N ASP A 69 -12.308 -10.901 3.967 1.00 0.00 N ATOM 1079 CA ASP A 69 -12.441 -12.048 3.067 1.00 0.00 C ATOM 1080 C ASP A 69 -12.816 -11.581 1.694 1.00 0.00 C ATOM 1081 O ASP A 69 -12.340 -12.105 0.691 1.00 0.00 O ATOM 1082 CB ASP A 69 -13.463 -13.063 3.579 1.00 0.00 C ATOM 1083 CG ASP A 69 -12.904 -13.968 4.654 1.00 0.00 C ATOM 1084 OD1 ASP A 69 -12.059 -14.826 4.325 1.00 0.00 O ATOM 1085 OD2 ASP A 69 -13.316 -13.846 5.820 1.00 0.00 O ATOM 0 H ASP A 69 -13.044 -10.828 4.669 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.475 -12.551 3.028 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -14.330 -12.532 3.972 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.813 -13.671 2.745 1.00 0.00 H new ATOM 1090 N ILE A 70 -13.681 -10.589 1.653 1.00 0.00 N ATOM 1091 CA ILE A 70 -14.085 -9.981 0.411 1.00 0.00 C ATOM 1092 C ILE A 70 -12.877 -9.357 -0.284 1.00 0.00 C ATOM 1093 O ILE A 70 -12.619 -9.622 -1.461 1.00 0.00 O ATOM 1094 CB ILE A 70 -15.180 -8.919 0.665 1.00 0.00 C ATOM 1095 CG1 ILE A 70 -16.507 -9.587 1.068 1.00 0.00 C ATOM 1096 CG2 ILE A 70 -15.373 -7.998 -0.537 1.00 0.00 C ATOM 1097 CD1 ILE A 70 -17.084 -10.515 0.014 1.00 0.00 C ATOM 0 H ILE A 70 -14.121 -10.185 2.480 1.00 0.00 H new ATOM 0 HA ILE A 70 -14.500 -10.750 -0.241 1.00 0.00 H new ATOM 0 HB ILE A 70 -14.843 -8.297 1.494 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -16.352 -10.152 1.987 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -17.238 -8.810 1.291 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -16.151 -7.268 -0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -14.439 -7.479 -0.751 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -15.667 -8.589 -1.405 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -18.018 -10.943 0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -17.275 -9.953 -0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -16.374 -11.316 -0.194 1.00 0.00 H new ATOM 1109 N TYR A 71 -12.109 -8.578 0.470 1.00 0.00 N ATOM 1110 CA TYR A 71 -10.888 -7.977 -0.051 1.00 0.00 C ATOM 1111 C TYR A 71 -9.905 -9.045 -0.499 1.00 0.00 C ATOM 1112 O TYR A 71 -9.332 -8.954 -1.563 1.00 0.00 O ATOM 1113 CB TYR A 71 -10.219 -7.055 0.975 1.00 0.00 C ATOM 1114 CG TYR A 71 -8.884 -6.544 0.489 1.00 0.00 C ATOM 1115 CD1 TYR A 71 -8.806 -5.518 -0.441 1.00 0.00 C ATOM 1116 CD2 TYR A 71 -7.701 -7.121 0.929 1.00 0.00 C ATOM 1117 CE1 TYR A 71 -7.589 -5.087 -0.919 1.00 0.00 C ATOM 1118 CE2 TYR A 71 -6.482 -6.687 0.464 1.00 0.00 C ATOM 1119 CZ TYR A 71 -6.430 -5.674 -0.461 1.00 0.00 C ATOM 1120 OH TYR A 71 -5.210 -5.270 -0.955 1.00 0.00 O ATOM 0 H TYR A 71 -12.311 -8.348 1.443 1.00 0.00 H new ATOM 0 HA TYR A 71 -11.177 -7.373 -0.911 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -10.875 -6.211 1.186 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.082 -7.594 1.912 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -9.713 -5.051 -0.795 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.739 -7.925 1.649 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -7.543 -4.293 -1.649 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.571 -7.141 0.824 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.932 -5.875 -1.674 1.00 0.00 H new ATOM 1130 N ASP A 72 -9.735 -10.052 0.336 1.00 0.00 N ATOM 1131 CA ASP A 72 -8.791 -11.141 0.082 1.00 0.00 C ATOM 1132 C ASP A 72 -9.059 -11.802 -1.263 1.00 0.00 C ATOM 1133 O ASP A 72 -8.130 -12.137 -2.000 1.00 0.00 O ATOM 1134 CB ASP A 72 -8.904 -12.184 1.197 1.00 0.00 C ATOM 1135 CG ASP A 72 -7.972 -13.354 1.014 1.00 0.00 C ATOM 1136 OD1 ASP A 72 -6.755 -13.175 1.153 1.00 0.00 O ATOM 1137 OD2 ASP A 72 -8.460 -14.471 0.757 1.00 0.00 O ATOM 0 H ASP A 72 -10.246 -10.145 1.214 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.784 -10.723 0.061 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.694 -11.707 2.154 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.930 -12.549 1.241 1.00 0.00 H new ATOM 1142 N GLN A 73 -10.325 -11.984 -1.577 1.00 0.00 N ATOM 1143 CA GLN A 73 -10.721 -12.610 -2.823 1.00 0.00 C ATOM 1144 C GLN A 73 -10.394 -11.720 -4.018 1.00 0.00 C ATOM 1145 O GLN A 73 -9.928 -12.201 -5.047 1.00 0.00 O ATOM 1146 CB GLN A 73 -12.203 -12.947 -2.787 1.00 0.00 C ATOM 1147 CG GLN A 73 -12.531 -14.020 -1.772 1.00 0.00 C ATOM 1148 CD GLN A 73 -14.006 -14.278 -1.638 1.00 0.00 C ATOM 1149 OE1 GLN A 73 -14.570 -15.114 -2.343 1.00 0.00 O ATOM 1150 NE2 GLN A 73 -14.640 -13.565 -0.735 1.00 0.00 N ATOM 0 H GLN A 73 -11.104 -11.705 -0.981 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.154 -13.534 -2.939 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -12.771 -12.046 -2.555 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.521 -13.278 -3.776 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.031 -14.946 -2.057 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -12.130 -13.728 -0.801 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -14.130 -12.883 -0.173 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.642 -13.693 -0.595 1.00 0.00 H new ATOM 1159 N PHE A 74 -10.640 -10.420 -3.878 1.00 0.00 N ATOM 1160 CA PHE A 74 -10.302 -9.472 -4.939 1.00 0.00 C ATOM 1161 C PHE A 74 -8.800 -9.245 -5.010 1.00 0.00 C ATOM 1162 O PHE A 74 -8.247 -9.003 -6.084 1.00 0.00 O ATOM 1163 CB PHE A 74 -11.024 -8.136 -4.747 1.00 0.00 C ATOM 1164 CG PHE A 74 -12.495 -8.188 -5.046 1.00 0.00 C ATOM 1165 CD1 PHE A 74 -13.417 -8.379 -4.036 1.00 0.00 C ATOM 1166 CD2 PHE A 74 -12.952 -8.042 -6.344 1.00 0.00 C ATOM 1167 CE1 PHE A 74 -14.767 -8.423 -4.310 1.00 0.00 C ATOM 1168 CE2 PHE A 74 -14.301 -8.085 -6.627 1.00 0.00 C ATOM 1169 CZ PHE A 74 -15.210 -8.276 -5.608 1.00 0.00 C ATOM 0 H PHE A 74 -11.067 -10.001 -3.052 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.635 -9.909 -5.880 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -10.884 -7.804 -3.718 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -10.559 -7.388 -5.389 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -13.076 -8.495 -3.018 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -12.243 -7.893 -7.145 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -15.477 -8.572 -3.510 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -14.645 -7.969 -7.644 1.00 0.00 H new ATOM 0 HZ PHE A 74 -16.267 -8.310 -5.826 1.00 0.00 H new ATOM 1179 N GLY A 75 -8.150 -9.346 -3.869 1.00 0.00 N ATOM 1180 CA GLY A 75 -6.727 -9.130 -3.805 1.00 0.00 C ATOM 1181 C GLY A 75 -6.383 -7.694 -3.440 1.00 0.00 C ATOM 1182 O GLY A 75 -7.154 -6.783 -3.802 1.00 0.00 O ATOM 1183 OXT GLY A 75 -5.337 -7.471 -2.786 1.00 0.00 O ATOM 0 H GLY A 75 -8.587 -9.576 -2.977 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.291 -9.805 -3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.280 -9.376 -4.768 1.00 0.00 H new TER 1187 GLY A 75