USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 526 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 49 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 52 MET CE :methyl -160:sc= -1.68 (180deg=-2.31) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -168:sc=-0.00984 (180deg=-0.178) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -166:sc= 1.4 (180deg=1.3) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc=0.000501 USER MOD Single : A 45 SER OG : rot -173:sc= -0.64 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -153:sc= -1.86 (180deg=-3.01!) USER MOD Single : A 55 THR OG1 : rot -81:sc= 0.251 USER MOD Single : A 56 THR OG1 : rot -114:sc= 1.11 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.37 K(o=-0.37,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.670 -14.083 6.548 1.00 0.00 N ATOM 2 CA GLY A 1 11.759 -13.057 6.075 1.00 0.00 C ATOM 3 C GLY A 1 12.364 -12.207 4.975 1.00 0.00 C ATOM 4 O GLY A 1 13.363 -11.520 5.189 1.00 0.00 O ATOM 0 H1 GLY A 1 12.210 -14.636 7.299 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.924 -14.712 5.760 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.530 -13.636 6.925 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.847 -13.527 5.707 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.473 -12.416 6.909 1.00 0.00 H new ATOM 8 N SER A 2 11.760 -12.256 3.792 1.00 0.00 N ATOM 9 CA SER A 2 12.248 -11.489 2.652 1.00 0.00 C ATOM 10 C SER A 2 11.087 -10.915 1.846 1.00 0.00 C ATOM 11 O SER A 2 9.932 -11.283 2.053 1.00 0.00 O ATOM 12 CB SER A 2 13.122 -12.369 1.755 1.00 0.00 C ATOM 13 OG SER A 2 13.928 -11.580 0.897 1.00 0.00 O ATOM 0 H SER A 2 10.932 -12.819 3.598 1.00 0.00 H new ATOM 0 HA SER A 2 12.847 -10.661 3.032 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.757 -13.006 2.372 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.490 -13.029 1.161 1.00 0.00 H new ATOM 0 HG SER A 2 14.478 -12.165 0.335 1.00 0.00 H new ATOM 19 N SER A 3 11.405 -10.011 0.924 1.00 0.00 N ATOM 20 CA SER A 3 10.389 -9.382 0.088 1.00 0.00 C ATOM 21 C SER A 3 10.862 -9.281 -1.359 1.00 0.00 C ATOM 22 O SER A 3 12.061 -9.305 -1.634 1.00 0.00 O ATOM 23 CB SER A 3 10.047 -7.991 0.624 1.00 0.00 C ATOM 24 OG SER A 3 11.128 -7.094 0.440 1.00 0.00 O ATOM 0 H SER A 3 12.358 -9.698 0.737 1.00 0.00 H new ATOM 0 HA SER A 3 9.494 -10.004 0.116 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.162 -7.609 0.114 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.801 -8.057 1.684 1.00 0.00 H new ATOM 0 HG SER A 3 10.884 -6.211 0.789 1.00 0.00 H new ATOM 30 N GLY A 4 9.910 -9.166 -2.280 1.00 0.00 N ATOM 31 CA GLY A 4 10.249 -9.062 -3.687 1.00 0.00 C ATOM 32 C GLY A 4 9.115 -8.491 -4.515 1.00 0.00 C ATOM 33 O GLY A 4 8.005 -9.023 -4.510 1.00 0.00 O ATOM 0 H GLY A 4 8.911 -9.143 -2.077 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.131 -8.431 -3.800 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.512 -10.049 -4.068 1.00 0.00 H new ATOM 37 N SER A 5 9.394 -7.404 -5.228 1.00 0.00 N ATOM 38 CA SER A 5 8.386 -6.757 -6.061 1.00 0.00 C ATOM 39 C SER A 5 7.720 -7.766 -6.991 1.00 0.00 C ATOM 40 O SER A 5 8.300 -8.174 -7.998 1.00 0.00 O ATOM 41 CB SER A 5 9.019 -5.631 -6.881 1.00 0.00 C ATOM 42 OG SER A 5 8.063 -4.634 -7.200 1.00 0.00 O ATOM 0 H SER A 5 10.309 -6.953 -5.246 1.00 0.00 H new ATOM 0 HA SER A 5 7.624 -6.336 -5.405 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.840 -5.186 -6.320 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.444 -6.039 -7.798 1.00 0.00 H new ATOM 0 HG SER A 5 8.492 -3.925 -7.723 1.00 0.00 H new ATOM 48 N SER A 6 6.501 -8.166 -6.646 1.00 0.00 N ATOM 49 CA SER A 6 5.756 -9.130 -7.447 1.00 0.00 C ATOM 50 C SER A 6 4.262 -9.047 -7.147 1.00 0.00 C ATOM 51 O SER A 6 3.857 -8.623 -6.066 1.00 0.00 O ATOM 52 CB SER A 6 6.264 -10.548 -7.179 1.00 0.00 C ATOM 53 OG SER A 6 5.984 -11.406 -8.271 1.00 0.00 O ATOM 0 H SER A 6 6.008 -7.837 -5.816 1.00 0.00 H new ATOM 0 HA SER A 6 5.911 -8.889 -8.499 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.339 -10.524 -6.998 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.797 -10.940 -6.276 1.00 0.00 H new ATOM 0 HG SER A 6 6.320 -12.305 -8.075 1.00 0.00 H new ATOM 59 N GLY A 7 3.448 -9.458 -8.115 1.00 0.00 N ATOM 60 CA GLY A 7 2.008 -9.422 -7.936 1.00 0.00 C ATOM 61 C GLY A 7 1.465 -8.009 -7.876 1.00 0.00 C ATOM 62 O GLY A 7 1.589 -7.248 -8.835 1.00 0.00 O ATOM 0 H GLY A 7 3.759 -9.815 -9.018 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.530 -9.957 -8.757 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.746 -9.948 -7.018 1.00 0.00 H new ATOM 66 N MET A 8 0.861 -7.656 -6.746 1.00 0.00 N ATOM 67 CA MET A 8 0.297 -6.324 -6.565 1.00 0.00 C ATOM 68 C MET A 8 0.687 -5.748 -5.208 1.00 0.00 C ATOM 69 O MET A 8 0.537 -6.406 -4.178 1.00 0.00 O ATOM 70 CB MET A 8 -1.226 -6.370 -6.693 1.00 0.00 C ATOM 71 CG MET A 8 -1.711 -6.536 -8.125 1.00 0.00 C ATOM 72 SD MET A 8 -1.425 -8.195 -8.768 1.00 0.00 S ATOM 73 CE MET A 8 -2.967 -8.997 -8.335 1.00 0.00 C ATOM 0 H MET A 8 0.750 -8.274 -5.942 1.00 0.00 H new ATOM 0 HA MET A 8 0.701 -5.677 -7.344 1.00 0.00 H new ATOM 0 HB2 MET A 8 -1.608 -7.194 -6.091 1.00 0.00 H new ATOM 0 HB3 MET A 8 -1.645 -5.452 -6.280 1.00 0.00 H new ATOM 0 HG2 MET A 8 -2.777 -6.311 -8.172 1.00 0.00 H new ATOM 0 HG3 MET A 8 -1.204 -5.811 -8.762 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.944 -10.035 -8.668 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.102 -8.966 -7.254 1.00 0.00 H new ATOM 0 HE3 MET A 8 -3.795 -8.479 -8.819 1.00 0.00 H new ATOM 83 N GLU A 9 1.190 -4.518 -5.214 1.00 0.00 N ATOM 84 CA GLU A 9 1.603 -3.855 -3.982 1.00 0.00 C ATOM 85 C GLU A 9 0.567 -4.062 -2.880 1.00 0.00 C ATOM 86 O GLU A 9 -0.636 -3.990 -3.125 1.00 0.00 O ATOM 87 CB GLU A 9 1.812 -2.359 -4.226 1.00 0.00 C ATOM 88 CG GLU A 9 2.770 -1.710 -3.243 1.00 0.00 C ATOM 89 CD GLU A 9 4.188 -2.230 -3.380 1.00 0.00 C ATOM 90 OE1 GLU A 9 4.808 -1.990 -4.437 1.00 0.00 O ATOM 91 OE2 GLU A 9 4.677 -2.877 -2.430 1.00 0.00 O ATOM 0 H GLU A 9 1.322 -3.960 -6.058 1.00 0.00 H new ATOM 0 HA GLU A 9 2.545 -4.298 -3.660 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.190 -2.214 -5.238 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.849 -1.852 -4.170 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.766 -0.631 -3.397 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.418 -1.889 -2.227 1.00 0.00 H new ATOM 98 N GLU A 10 1.046 -4.318 -1.667 1.00 0.00 N ATOM 99 CA GLU A 10 0.162 -4.536 -0.528 1.00 0.00 C ATOM 100 C GLU A 10 0.682 -3.812 0.711 1.00 0.00 C ATOM 101 O GLU A 10 1.662 -4.235 1.325 1.00 0.00 O ATOM 102 CB GLU A 10 0.027 -6.032 -0.238 1.00 0.00 C ATOM 103 CG GLU A 10 -0.665 -6.807 -1.347 1.00 0.00 C ATOM 104 CD GLU A 10 -1.261 -8.114 -0.861 1.00 0.00 C ATOM 105 OE1 GLU A 10 -1.778 -8.144 0.275 1.00 0.00 O ATOM 106 OE2 GLU A 10 -1.211 -9.106 -1.617 1.00 0.00 O ATOM 0 H GLU A 10 2.040 -4.380 -1.448 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.819 -4.132 -0.779 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.019 -6.453 -0.076 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.530 -6.165 0.689 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.454 -6.191 -1.778 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.051 -7.012 -2.143 1.00 0.00 H new ATOM 113 N TRP A 11 0.019 -2.719 1.071 1.00 0.00 N ATOM 114 CA TRP A 11 0.414 -1.935 2.236 1.00 0.00 C ATOM 115 C TRP A 11 -0.317 -2.412 3.487 1.00 0.00 C ATOM 116 O TRP A 11 -1.187 -3.279 3.415 1.00 0.00 O ATOM 117 CB TRP A 11 0.129 -0.452 1.999 1.00 0.00 C ATOM 118 CG TRP A 11 1.145 0.216 1.123 1.00 0.00 C ATOM 119 CD1 TRP A 11 1.655 -0.261 -0.051 1.00 0.00 C ATOM 120 CD2 TRP A 11 1.776 1.481 1.351 1.00 0.00 C ATOM 121 NE1 TRP A 11 2.565 0.631 -0.566 1.00 0.00 N ATOM 122 CE2 TRP A 11 2.656 1.709 0.275 1.00 0.00 C ATOM 123 CE3 TRP A 11 1.680 2.445 2.359 1.00 0.00 C ATOM 124 CZ2 TRP A 11 3.436 2.858 0.182 1.00 0.00 C ATOM 125 CZ3 TRP A 11 2.455 3.585 2.265 1.00 0.00 C ATOM 126 CH2 TRP A 11 3.322 3.785 1.183 1.00 0.00 C ATOM 0 H TRP A 11 -0.794 -2.356 0.574 1.00 0.00 H new ATOM 0 HA TRP A 11 1.484 -2.072 2.389 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.857 -0.347 1.545 1.00 0.00 H new ATOM 0 HB3 TRP A 11 0.094 0.062 2.960 1.00 0.00 H new ATOM 0 HD1 TRP A 11 1.383 -1.201 -0.508 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.088 0.510 -1.433 1.00 0.00 H new ATOM 0 HE3 TRP A 11 1.012 2.301 3.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.107 3.013 -0.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.391 4.335 3.039 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.912 4.688 1.138 1.00 0.00 H new ATOM 137 N SER A 12 0.043 -1.840 4.631 1.00 0.00 N ATOM 138 CA SER A 12 -0.577 -2.211 5.898 1.00 0.00 C ATOM 139 C SER A 12 -1.321 -1.025 6.506 1.00 0.00 C ATOM 140 O SER A 12 -0.920 0.126 6.337 1.00 0.00 O ATOM 141 CB SER A 12 0.483 -2.720 6.879 1.00 0.00 C ATOM 142 OG SER A 12 0.679 -4.116 6.737 1.00 0.00 O ATOM 0 H SER A 12 0.760 -1.119 4.707 1.00 0.00 H new ATOM 0 HA SER A 12 -1.295 -3.008 5.704 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.424 -2.198 6.706 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.176 -2.494 7.900 1.00 0.00 H new ATOM 0 HG SER A 12 1.361 -4.417 7.373 1.00 0.00 H new ATOM 148 N ALA A 13 -2.407 -1.317 7.214 1.00 0.00 N ATOM 149 CA ALA A 13 -3.207 -0.276 7.849 1.00 0.00 C ATOM 150 C ALA A 13 -2.320 0.816 8.437 1.00 0.00 C ATOM 151 O ALA A 13 -2.498 1.998 8.145 1.00 0.00 O ATOM 152 CB ALA A 13 -4.093 -0.878 8.930 1.00 0.00 C ATOM 0 H ALA A 13 -2.753 -2.265 7.362 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.840 0.178 7.086 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.685 -0.090 9.396 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.759 -1.617 8.485 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.471 -1.359 9.685 1.00 0.00 H new ATOM 158 N SER A 14 -1.364 0.411 9.268 1.00 0.00 N ATOM 159 CA SER A 14 -0.452 1.356 9.902 1.00 0.00 C ATOM 160 C SER A 14 0.300 2.171 8.853 1.00 0.00 C ATOM 161 O SER A 14 0.407 3.393 8.961 1.00 0.00 O ATOM 162 CB SER A 14 0.542 0.617 10.798 1.00 0.00 C ATOM 163 OG SER A 14 -0.129 -0.232 11.712 1.00 0.00 O ATOM 0 H SER A 14 -1.201 -0.565 9.518 1.00 0.00 H new ATOM 0 HA SER A 14 -1.043 2.038 10.514 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.223 0.029 10.183 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.149 1.338 11.345 1.00 0.00 H new ATOM 0 HG SER A 14 0.529 -0.694 12.272 1.00 0.00 H new ATOM 169 N GLU A 15 0.818 1.485 7.839 1.00 0.00 N ATOM 170 CA GLU A 15 1.561 2.146 6.772 1.00 0.00 C ATOM 171 C GLU A 15 0.701 3.201 6.084 1.00 0.00 C ATOM 172 O GLU A 15 1.135 4.335 5.881 1.00 0.00 O ATOM 173 CB GLU A 15 2.044 1.118 5.746 1.00 0.00 C ATOM 174 CG GLU A 15 3.411 0.536 6.065 1.00 0.00 C ATOM 175 CD GLU A 15 4.543 1.338 5.453 1.00 0.00 C ATOM 176 OE1 GLU A 15 4.287 2.084 4.485 1.00 0.00 O ATOM 177 OE2 GLU A 15 5.686 1.220 5.943 1.00 0.00 O ATOM 0 H GLU A 15 0.737 0.474 7.734 1.00 0.00 H new ATOM 0 HA GLU A 15 2.425 2.640 7.217 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.318 0.307 5.687 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.079 1.587 4.763 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.542 0.497 7.146 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.459 -0.490 5.701 1.00 0.00 H new ATOM 184 N ALA A 16 -0.521 2.821 5.726 1.00 0.00 N ATOM 185 CA ALA A 16 -1.443 3.734 5.062 1.00 0.00 C ATOM 186 C ALA A 16 -1.591 5.031 5.849 1.00 0.00 C ATOM 187 O ALA A 16 -1.364 6.120 5.319 1.00 0.00 O ATOM 188 CB ALA A 16 -2.799 3.070 4.872 1.00 0.00 C ATOM 0 H ALA A 16 -0.896 1.886 5.885 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.032 3.979 4.083 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.477 3.764 4.375 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.683 2.175 4.261 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.209 2.795 5.844 1.00 0.00 H new ATOM 194 N CYS A 17 -1.976 4.909 7.114 1.00 0.00 N ATOM 195 CA CYS A 17 -2.158 6.073 7.974 1.00 0.00 C ATOM 196 C CYS A 17 -0.902 6.939 7.988 1.00 0.00 C ATOM 197 O CYS A 17 -0.980 8.166 7.895 1.00 0.00 O ATOM 198 CB CYS A 17 -2.504 5.633 9.398 1.00 0.00 C ATOM 199 SG CYS A 17 -4.256 5.266 9.651 1.00 0.00 S ATOM 0 H CYS A 17 -2.168 4.016 7.567 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.982 6.664 7.574 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.919 4.747 9.646 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.204 6.418 10.092 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.449 4.901 10.884 1.00 0.00 H new ATOM 205 N LEU A 18 0.253 6.296 8.106 1.00 0.00 N ATOM 206 CA LEU A 18 1.527 7.007 8.134 1.00 0.00 C ATOM 207 C LEU A 18 1.636 7.973 6.958 1.00 0.00 C ATOM 208 O LEU A 18 1.999 9.137 7.129 1.00 0.00 O ATOM 209 CB LEU A 18 2.690 6.015 8.103 1.00 0.00 C ATOM 210 CG LEU A 18 3.199 5.536 9.463 1.00 0.00 C ATOM 211 CD1 LEU A 18 3.757 4.126 9.358 1.00 0.00 C ATOM 212 CD2 LEU A 18 4.254 6.490 10.004 1.00 0.00 C ATOM 0 H LEU A 18 0.335 5.282 8.184 1.00 0.00 H new ATOM 0 HA LEU A 18 1.574 7.581 9.059 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.383 5.144 7.525 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.520 6.476 7.568 1.00 0.00 H new ATOM 0 HG LEU A 18 2.360 5.522 10.159 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.114 3.802 10.336 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.974 3.449 9.016 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.583 4.114 8.647 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.605 6.133 10.972 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.093 6.537 9.309 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.821 7.484 10.118 1.00 0.00 H new ATOM 224 N PHE A 19 1.319 7.482 5.765 1.00 0.00 N ATOM 225 CA PHE A 19 1.381 8.301 4.560 1.00 0.00 C ATOM 226 C PHE A 19 0.460 9.513 4.678 1.00 0.00 C ATOM 227 O PHE A 19 0.916 10.655 4.654 1.00 0.00 O ATOM 228 CB PHE A 19 0.996 7.472 3.333 1.00 0.00 C ATOM 229 CG PHE A 19 0.947 8.270 2.061 1.00 0.00 C ATOM 230 CD1 PHE A 19 2.105 8.801 1.516 1.00 0.00 C ATOM 231 CD2 PHE A 19 -0.257 8.489 1.412 1.00 0.00 C ATOM 232 CE1 PHE A 19 2.063 9.535 0.345 1.00 0.00 C ATOM 233 CE2 PHE A 19 -0.305 9.222 0.241 1.00 0.00 C ATOM 234 CZ PHE A 19 0.857 9.746 -0.292 1.00 0.00 C ATOM 0 H PHE A 19 1.016 6.521 5.606 1.00 0.00 H new ATOM 0 HA PHE A 19 2.406 8.654 4.444 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.712 6.659 3.215 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.021 7.016 3.504 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.051 8.640 2.011 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.168 8.083 1.825 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.973 9.943 -0.071 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.250 9.385 -0.257 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.822 10.320 -1.206 1.00 0.00 H new ATOM 244 N GLU A 20 -0.837 9.253 4.805 1.00 0.00 N ATOM 245 CA GLU A 20 -1.821 10.322 4.925 1.00 0.00 C ATOM 246 C GLU A 20 -1.303 11.441 5.823 1.00 0.00 C ATOM 247 O GLU A 20 -1.166 12.584 5.391 1.00 0.00 O ATOM 248 CB GLU A 20 -3.136 9.773 5.483 1.00 0.00 C ATOM 249 CG GLU A 20 -3.898 8.900 4.501 1.00 0.00 C ATOM 250 CD GLU A 20 -5.145 8.288 5.108 1.00 0.00 C ATOM 251 OE1 GLU A 20 -6.137 9.025 5.292 1.00 0.00 O ATOM 252 OE2 GLU A 20 -5.129 7.075 5.399 1.00 0.00 O ATOM 0 H GLU A 20 -1.231 8.312 4.827 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.998 10.731 3.930 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.925 9.194 6.382 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.770 10.608 5.782 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.177 9.496 3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.244 8.104 4.145 1.00 0.00 H new ATOM 259 N GLU A 21 -1.015 11.101 7.076 1.00 0.00 N ATOM 260 CA GLU A 21 -0.513 12.077 8.036 1.00 0.00 C ATOM 261 C GLU A 21 0.781 12.714 7.537 1.00 0.00 C ATOM 262 O GLU A 21 1.096 13.854 7.878 1.00 0.00 O ATOM 263 CB GLU A 21 -0.277 11.416 9.394 1.00 0.00 C ATOM 264 CG GLU A 21 0.818 10.363 9.377 1.00 0.00 C ATOM 265 CD GLU A 21 1.075 9.765 10.747 1.00 0.00 C ATOM 266 OE1 GLU A 21 0.286 8.895 11.172 1.00 0.00 O ATOM 267 OE2 GLU A 21 2.064 10.167 11.394 1.00 0.00 O ATOM 0 H GLU A 21 -1.121 10.158 7.449 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.265 12.859 8.147 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.019 12.185 10.123 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.206 10.956 9.731 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.542 9.568 8.684 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.739 10.808 9.001 1.00 0.00 H new ATOM 274 N ALA A 22 1.526 11.969 6.727 1.00 0.00 N ATOM 275 CA ALA A 22 2.785 12.460 6.180 1.00 0.00 C ATOM 276 C ALA A 22 2.553 13.643 5.246 1.00 0.00 C ATOM 277 O ALA A 22 3.355 14.576 5.198 1.00 0.00 O ATOM 278 CB ALA A 22 3.515 11.343 5.450 1.00 0.00 C ATOM 0 H ALA A 22 1.280 11.023 6.435 1.00 0.00 H new ATOM 0 HA ALA A 22 3.404 12.802 7.009 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.453 11.724 5.047 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.723 10.529 6.145 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.893 10.974 4.634 1.00 0.00 H new ATOM 284 N LEU A 23 1.453 13.597 4.503 1.00 0.00 N ATOM 285 CA LEU A 23 1.115 14.664 3.568 1.00 0.00 C ATOM 286 C LEU A 23 0.695 15.927 4.313 1.00 0.00 C ATOM 287 O LEU A 23 1.219 17.011 4.059 1.00 0.00 O ATOM 288 CB LEU A 23 -0.007 14.213 2.632 1.00 0.00 C ATOM 289 CG LEU A 23 0.000 14.827 1.231 1.00 0.00 C ATOM 290 CD1 LEU A 23 1.266 14.435 0.484 1.00 0.00 C ATOM 291 CD2 LEU A 23 -1.235 14.396 0.454 1.00 0.00 C ATOM 0 H LEU A 23 0.779 12.832 4.530 1.00 0.00 H new ATOM 0 HA LEU A 23 2.003 14.891 2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.044 13.129 2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.962 14.445 3.104 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.018 15.912 1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.254 14.880 -0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.137 14.793 1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.315 13.350 0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.213 14.842 -0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.248 13.310 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.130 14.727 0.981 1.00 0.00 H new ATOM 303 N GLU A 24 -0.252 15.777 5.234 1.00 0.00 N ATOM 304 CA GLU A 24 -0.741 16.907 6.015 1.00 0.00 C ATOM 305 C GLU A 24 0.398 17.569 6.786 1.00 0.00 C ATOM 306 O GLU A 24 0.405 18.784 6.985 1.00 0.00 O ATOM 307 CB GLU A 24 -1.830 16.449 6.988 1.00 0.00 C ATOM 308 CG GLU A 24 -1.288 15.772 8.236 1.00 0.00 C ATOM 309 CD GLU A 24 -2.349 15.575 9.301 1.00 0.00 C ATOM 310 OE1 GLU A 24 -3.478 15.177 8.946 1.00 0.00 O ATOM 311 OE2 GLU A 24 -2.050 15.820 10.488 1.00 0.00 O ATOM 0 H GLU A 24 -0.695 14.886 5.457 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.163 17.638 5.325 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.427 17.312 7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.499 15.760 6.473 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.866 14.804 7.965 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.475 16.371 8.645 1.00 0.00 H new ATOM 318 N LYS A 25 1.360 16.760 7.220 1.00 0.00 N ATOM 319 CA LYS A 25 2.505 17.265 7.968 1.00 0.00 C ATOM 320 C LYS A 25 3.572 17.814 7.026 1.00 0.00 C ATOM 321 O LYS A 25 3.878 19.005 7.047 1.00 0.00 O ATOM 322 CB LYS A 25 3.099 16.156 8.839 1.00 0.00 C ATOM 323 CG LYS A 25 4.013 16.670 9.938 1.00 0.00 C ATOM 324 CD LYS A 25 5.008 15.609 10.378 1.00 0.00 C ATOM 325 CE LYS A 25 5.924 16.125 11.477 1.00 0.00 C ATOM 326 NZ LYS A 25 6.767 17.259 11.010 1.00 0.00 N ATOM 0 H LYS A 25 1.369 15.752 7.066 1.00 0.00 H new ATOM 0 HA LYS A 25 2.160 18.077 8.609 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.287 15.586 9.290 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.658 15.468 8.205 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.551 17.549 9.584 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.414 16.985 10.793 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.471 14.730 10.734 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.606 15.293 9.523 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.324 16.445 12.329 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.565 15.315 11.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.512 17.449 11.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.203 17.015 10.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.176 18.107 10.895 1.00 0.00 H new ATOM 340 N TYR A 26 4.132 16.937 6.201 1.00 0.00 N ATOM 341 CA TYR A 26 5.165 17.333 5.251 1.00 0.00 C ATOM 342 C TYR A 26 4.548 17.914 3.984 1.00 0.00 C ATOM 343 O TYR A 26 4.702 19.099 3.690 1.00 0.00 O ATOM 344 CB TYR A 26 6.049 16.136 4.897 1.00 0.00 C ATOM 345 CG TYR A 26 7.240 15.970 5.815 1.00 0.00 C ATOM 346 CD1 TYR A 26 8.025 17.060 6.171 1.00 0.00 C ATOM 347 CD2 TYR A 26 7.580 14.723 6.326 1.00 0.00 C ATOM 348 CE1 TYR A 26 9.113 16.914 7.009 1.00 0.00 C ATOM 349 CE2 TYR A 26 8.666 14.568 7.165 1.00 0.00 C ATOM 350 CZ TYR A 26 9.430 15.665 7.503 1.00 0.00 C ATOM 351 OH TYR A 26 10.514 15.515 8.337 1.00 0.00 O ATOM 0 H TYR A 26 3.888 15.947 6.171 1.00 0.00 H new ATOM 0 HA TYR A 26 5.777 18.103 5.721 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.447 15.228 4.929 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.403 16.247 3.872 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.780 18.039 5.786 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.985 13.861 6.063 1.00 0.00 H new ATOM 0 HE1 TYR A 26 9.712 17.772 7.276 1.00 0.00 H new ATOM 0 HE2 TYR A 26 8.916 13.592 7.555 1.00 0.00 H new ATOM 0 HH TYR A 26 10.599 14.574 8.597 1.00 0.00 H new ATOM 361 N GLY A 27 3.842 17.071 3.236 1.00 0.00 N ATOM 362 CA GLY A 27 3.209 17.518 2.009 1.00 0.00 C ATOM 363 C GLY A 27 3.692 16.749 0.795 1.00 0.00 C ATOM 364 O GLY A 27 4.012 15.564 0.887 1.00 0.00 O ATOM 0 H GLY A 27 3.697 16.086 3.458 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.128 17.407 2.100 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.409 18.580 1.866 1.00 0.00 H new ATOM 368 N LYS A 28 3.744 17.425 -0.349 1.00 0.00 N ATOM 369 CA LYS A 28 4.190 16.799 -1.588 1.00 0.00 C ATOM 370 C LYS A 28 5.707 16.637 -1.600 1.00 0.00 C ATOM 371 O LYS A 28 6.371 16.994 -2.572 1.00 0.00 O ATOM 372 CB LYS A 28 3.748 17.633 -2.792 1.00 0.00 C ATOM 373 CG LYS A 28 2.377 17.252 -3.324 1.00 0.00 C ATOM 374 CD LYS A 28 2.381 15.858 -3.929 1.00 0.00 C ATOM 375 CE LYS A 28 1.359 15.732 -5.047 1.00 0.00 C ATOM 376 NZ LYS A 28 1.696 14.625 -5.985 1.00 0.00 N ATOM 0 H LYS A 28 3.483 18.406 -0.443 1.00 0.00 H new ATOM 0 HA LYS A 28 3.735 15.810 -1.651 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.740 18.686 -2.511 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.482 17.522 -3.590 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.647 17.297 -2.516 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.064 17.975 -4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.374 15.631 -4.316 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.165 15.123 -3.153 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.372 15.557 -4.619 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.306 16.671 -5.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.975 14.572 -6.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.627 14.804 -6.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.722 13.725 -5.465 1.00 0.00 H new ATOM 390 N ASP A 29 6.248 16.095 -0.514 1.00 0.00 N ATOM 391 CA ASP A 29 7.686 15.882 -0.400 1.00 0.00 C ATOM 392 C ASP A 29 7.994 14.431 -0.041 1.00 0.00 C ATOM 393 O ASP A 29 8.442 14.136 1.067 1.00 0.00 O ATOM 394 CB ASP A 29 8.280 16.818 0.653 1.00 0.00 C ATOM 395 CG ASP A 29 8.732 18.140 0.064 1.00 0.00 C ATOM 396 OD1 ASP A 29 7.876 19.032 -0.117 1.00 0.00 O ATOM 397 OD2 ASP A 29 9.940 18.282 -0.216 1.00 0.00 O ATOM 0 H ASP A 29 5.712 15.795 0.300 1.00 0.00 H new ATOM 0 HA ASP A 29 8.139 16.102 -1.367 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.538 17.004 1.429 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.128 16.329 1.133 1.00 0.00 H new ATOM 402 N PHE A 30 7.749 13.528 -0.986 1.00 0.00 N ATOM 403 CA PHE A 30 7.999 12.109 -0.768 1.00 0.00 C ATOM 404 C PHE A 30 9.371 11.888 -0.138 1.00 0.00 C ATOM 405 O PHE A 30 9.561 10.963 0.652 1.00 0.00 O ATOM 406 CB PHE A 30 7.904 11.344 -2.092 1.00 0.00 C ATOM 407 CG PHE A 30 6.826 11.856 -3.003 1.00 0.00 C ATOM 408 CD1 PHE A 30 5.550 12.097 -2.522 1.00 0.00 C ATOM 409 CD2 PHE A 30 7.089 12.097 -4.342 1.00 0.00 C ATOM 410 CE1 PHE A 30 4.555 12.568 -3.359 1.00 0.00 C ATOM 411 CE2 PHE A 30 6.100 12.568 -5.184 1.00 0.00 C ATOM 412 CZ PHE A 30 4.831 12.804 -4.692 1.00 0.00 C ATOM 0 H PHE A 30 7.378 13.754 -1.909 1.00 0.00 H new ATOM 0 HA PHE A 30 7.240 11.733 -0.082 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.863 11.404 -2.607 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.721 10.290 -1.881 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.329 11.915 -1.481 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.079 11.914 -4.732 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.564 12.751 -2.971 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.319 12.751 -6.226 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.056 13.172 -5.348 1.00 0.00 H new ATOM 422 N ASN A 31 10.324 12.741 -0.494 1.00 0.00 N ATOM 423 CA ASN A 31 11.679 12.640 0.035 1.00 0.00 C ATOM 424 C ASN A 31 11.683 12.795 1.553 1.00 0.00 C ATOM 425 O ASN A 31 12.097 11.891 2.279 1.00 0.00 O ATOM 426 CB ASN A 31 12.579 13.703 -0.600 1.00 0.00 C ATOM 427 CG ASN A 31 14.025 13.254 -0.696 1.00 0.00 C ATOM 428 OD1 ASN A 31 14.853 13.609 0.143 1.00 0.00 O ATOM 429 ND2 ASN A 31 14.333 12.470 -1.722 1.00 0.00 N ATOM 0 H ASN A 31 10.183 13.511 -1.148 1.00 0.00 H new ATOM 0 HA ASN A 31 12.066 11.652 -0.213 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.208 13.941 -1.597 1.00 0.00 H new ATOM 0 HB3 ASN A 31 12.524 14.620 -0.013 1.00 0.00 H new ATOM 0 HD21 ASN A 31 15.290 12.136 -1.840 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.613 12.201 -2.393 1.00 0.00 H new ATOM 436 N ASP A 32 11.219 13.947 2.026 1.00 0.00 N ATOM 437 CA ASP A 32 11.167 14.221 3.457 1.00 0.00 C ATOM 438 C ASP A 32 10.524 13.060 4.209 1.00 0.00 C ATOM 439 O ASP A 32 10.971 12.688 5.295 1.00 0.00 O ATOM 440 CB ASP A 32 10.389 15.511 3.723 1.00 0.00 C ATOM 441 CG ASP A 32 11.136 16.744 3.256 1.00 0.00 C ATOM 442 OD1 ASP A 32 12.004 16.612 2.367 1.00 0.00 O ATOM 443 OD2 ASP A 32 10.851 17.842 3.777 1.00 0.00 O ATOM 0 H ASP A 32 10.873 14.706 1.439 1.00 0.00 H new ATOM 0 HA ASP A 32 12.189 14.342 3.817 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.425 15.461 3.218 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.186 15.596 4.790 1.00 0.00 H new ATOM 448 N ILE A 33 9.474 12.492 3.626 1.00 0.00 N ATOM 449 CA ILE A 33 8.770 11.374 4.241 1.00 0.00 C ATOM 450 C ILE A 33 9.619 10.107 4.211 1.00 0.00 C ATOM 451 O ILE A 33 10.051 9.613 5.252 1.00 0.00 O ATOM 452 CB ILE A 33 7.429 11.097 3.538 1.00 0.00 C ATOM 453 CG1 ILE A 33 6.583 12.371 3.485 1.00 0.00 C ATOM 454 CG2 ILE A 33 6.676 9.984 4.251 1.00 0.00 C ATOM 455 CD1 ILE A 33 5.562 12.372 2.368 1.00 0.00 C ATOM 0 H ILE A 33 9.092 12.788 2.728 1.00 0.00 H new ATOM 0 HA ILE A 33 8.576 11.654 5.276 1.00 0.00 H new ATOM 0 HB ILE A 33 7.632 10.775 2.517 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.068 12.495 4.437 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.242 13.231 3.365 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.730 9.800 3.742 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.276 9.074 4.241 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.481 10.279 5.282 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.999 13.305 2.391 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.072 12.279 1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.879 11.533 2.499 1.00 0.00 H new ATOM 467 N ARG A 34 9.854 9.588 3.011 1.00 0.00 N ATOM 468 CA ARG A 34 10.652 8.378 2.844 1.00 0.00 C ATOM 469 C ARG A 34 11.939 8.461 3.658 1.00 0.00 C ATOM 470 O ARG A 34 12.551 7.441 3.973 1.00 0.00 O ATOM 471 CB ARG A 34 10.981 8.159 1.367 1.00 0.00 C ATOM 472 CG ARG A 34 11.898 6.973 1.118 1.00 0.00 C ATOM 473 CD ARG A 34 12.464 6.993 -0.294 1.00 0.00 C ATOM 474 NE ARG A 34 13.126 5.737 -0.636 1.00 0.00 N ATOM 475 CZ ARG A 34 14.071 5.634 -1.563 1.00 0.00 C ATOM 476 NH1 ARG A 34 14.465 6.706 -2.237 1.00 0.00 N ATOM 477 NH2 ARG A 34 14.626 4.455 -1.818 1.00 0.00 N ATOM 0 H ARG A 34 9.504 9.986 2.140 1.00 0.00 H new ATOM 0 HA ARG A 34 10.067 7.533 3.207 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.053 8.013 0.814 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.450 9.060 0.970 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.715 6.986 1.839 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.347 6.046 1.277 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.660 7.184 -1.004 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.174 7.815 -0.388 1.00 0.00 H new ATOM 0 HE ARG A 34 12.847 4.893 -0.136 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.042 7.614 -2.044 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.191 6.623 -2.948 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.326 3.628 -1.302 1.00 0.00 H new ATOM 0 HH22 ARG A 34 15.352 4.376 -2.530 1.00 0.00 H new ATOM 491 N GLN A 35 12.345 9.681 3.993 1.00 0.00 N ATOM 492 CA GLN A 35 13.561 9.897 4.768 1.00 0.00 C ATOM 493 C GLN A 35 13.403 9.364 6.188 1.00 0.00 C ATOM 494 O GLN A 35 14.096 8.429 6.591 1.00 0.00 O ATOM 495 CB GLN A 35 13.911 11.385 4.806 1.00 0.00 C ATOM 496 CG GLN A 35 15.169 11.695 5.601 1.00 0.00 C ATOM 497 CD GLN A 35 15.602 13.142 5.469 1.00 0.00 C ATOM 498 OE1 GLN A 35 16.520 13.460 4.713 1.00 0.00 O ATOM 499 NE2 GLN A 35 14.941 14.027 6.205 1.00 0.00 N ATOM 0 H GLN A 35 11.849 10.536 3.740 1.00 0.00 H new ATOM 0 HA GLN A 35 14.371 9.353 4.283 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.038 11.746 3.785 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.074 11.935 5.237 1.00 0.00 H new ATOM 0 HG2 GLN A 35 14.995 11.466 6.652 1.00 0.00 H new ATOM 0 HG3 GLN A 35 15.977 11.046 5.263 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.187 13.718 6.818 1.00 0.00 H new ATOM 0 HE22 GLN A 35 15.187 15.016 6.157 1.00 0.00 H new ATOM 508 N ASP A 36 12.487 9.963 6.941 1.00 0.00 N ATOM 509 CA ASP A 36 12.238 9.547 8.317 1.00 0.00 C ATOM 510 C ASP A 36 10.955 8.729 8.412 1.00 0.00 C ATOM 511 O ASP A 36 10.975 7.569 8.828 1.00 0.00 O ATOM 512 CB ASP A 36 12.148 10.768 9.233 1.00 0.00 C ATOM 513 CG ASP A 36 13.507 11.218 9.734 1.00 0.00 C ATOM 514 OD1 ASP A 36 14.348 11.607 8.898 1.00 0.00 O ATOM 515 OD2 ASP A 36 13.728 11.179 10.962 1.00 0.00 O ATOM 0 H ASP A 36 11.905 10.738 6.622 1.00 0.00 H new ATOM 0 HA ASP A 36 13.071 8.922 8.639 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.673 11.588 8.695 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.510 10.533 10.085 1.00 0.00 H new ATOM 520 N PHE A 37 9.840 9.339 8.026 1.00 0.00 N ATOM 521 CA PHE A 37 8.546 8.667 8.070 1.00 0.00 C ATOM 522 C PHE A 37 8.687 7.191 7.713 1.00 0.00 C ATOM 523 O PHE A 37 8.404 6.312 8.529 1.00 0.00 O ATOM 524 CB PHE A 37 7.564 9.344 7.112 1.00 0.00 C ATOM 525 CG PHE A 37 6.792 10.470 7.741 1.00 0.00 C ATOM 526 CD1 PHE A 37 7.446 11.594 8.218 1.00 0.00 C ATOM 527 CD2 PHE A 37 5.413 10.403 7.853 1.00 0.00 C ATOM 528 CE1 PHE A 37 6.740 12.631 8.796 1.00 0.00 C ATOM 529 CE2 PHE A 37 4.700 11.437 8.431 1.00 0.00 C ATOM 530 CZ PHE A 37 5.365 12.553 8.904 1.00 0.00 C ATOM 0 H PHE A 37 9.806 10.298 7.679 1.00 0.00 H new ATOM 0 HA PHE A 37 8.160 8.741 9.087 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.113 9.727 6.252 1.00 0.00 H new ATOM 0 HB3 PHE A 37 6.863 8.599 6.736 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.521 11.660 8.137 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.889 9.533 7.485 1.00 0.00 H new ATOM 0 HE1 PHE A 37 7.262 13.502 9.163 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.625 11.373 8.513 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.811 13.362 9.357 1.00 0.00 H new ATOM 540 N LEU A 38 9.126 6.924 6.489 1.00 0.00 N ATOM 541 CA LEU A 38 9.305 5.554 6.020 1.00 0.00 C ATOM 542 C LEU A 38 10.636 5.396 5.292 1.00 0.00 C ATOM 543 O LEU A 38 10.746 5.633 4.089 1.00 0.00 O ATOM 544 CB LEU A 38 8.154 5.155 5.095 1.00 0.00 C ATOM 545 CG LEU A 38 6.749 5.517 5.577 1.00 0.00 C ATOM 546 CD1 LEU A 38 5.793 5.628 4.401 1.00 0.00 C ATOM 547 CD2 LEU A 38 6.247 4.486 6.579 1.00 0.00 C ATOM 0 H LEU A 38 9.365 7.639 5.802 1.00 0.00 H new ATOM 0 HA LEU A 38 9.308 4.897 6.890 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.315 5.624 4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.196 4.077 4.939 1.00 0.00 H new ATOM 0 HG LEU A 38 6.795 6.486 6.074 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.798 5.886 4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.143 6.403 3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.751 4.674 3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.246 4.759 6.912 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.217 3.504 6.107 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.919 4.456 7.437 1.00 0.00 H new ATOM 559 N PRO A 39 11.673 4.985 6.037 1.00 0.00 N ATOM 560 CA PRO A 39 13.015 4.783 5.483 1.00 0.00 C ATOM 561 C PRO A 39 13.082 3.580 4.549 1.00 0.00 C ATOM 562 O PRO A 39 13.658 3.657 3.463 1.00 0.00 O ATOM 563 CB PRO A 39 13.879 4.545 6.723 1.00 0.00 C ATOM 564 CG PRO A 39 12.935 4.016 7.747 1.00 0.00 C ATOM 565 CD PRO A 39 11.615 4.684 7.478 1.00 0.00 C ATOM 0 HA PRO A 39 13.337 5.631 4.878 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.679 3.834 6.517 1.00 0.00 H new ATOM 0 HB3 PRO A 39 14.351 5.468 7.059 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.846 2.932 7.673 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.287 4.239 8.754 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.777 4.030 7.719 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.494 5.589 8.073 1.00 0.00 H new ATOM 573 N TRP A 40 12.489 2.471 4.977 1.00 0.00 N ATOM 574 CA TRP A 40 12.481 1.252 4.177 1.00 0.00 C ATOM 575 C TRP A 40 11.734 1.466 2.865 1.00 0.00 C ATOM 576 O TRP A 40 12.224 1.104 1.794 1.00 0.00 O ATOM 577 CB TRP A 40 11.840 0.107 4.962 1.00 0.00 C ATOM 578 CG TRP A 40 10.447 0.409 5.423 1.00 0.00 C ATOM 579 CD1 TRP A 40 9.294 0.249 4.708 1.00 0.00 C ATOM 580 CD2 TRP A 40 10.059 0.926 6.701 1.00 0.00 C ATOM 581 NE1 TRP A 40 8.214 0.636 5.464 1.00 0.00 N ATOM 582 CE2 TRP A 40 8.657 1.054 6.691 1.00 0.00 C ATOM 583 CE3 TRP A 40 10.760 1.292 7.853 1.00 0.00 C ATOM 584 CZ2 TRP A 40 7.945 1.532 7.788 1.00 0.00 C ATOM 585 CZ3 TRP A 40 10.053 1.767 8.941 1.00 0.00 C ATOM 586 CH2 TRP A 40 8.657 1.884 8.903 1.00 0.00 C ATOM 0 H TRP A 40 12.008 2.391 5.873 1.00 0.00 H new ATOM 0 HA TRP A 40 13.514 0.992 3.946 1.00 0.00 H new ATOM 0 HB2 TRP A 40 11.823 -0.787 4.338 1.00 0.00 H new ATOM 0 HB3 TRP A 40 12.460 -0.121 5.829 1.00 0.00 H new ATOM 0 HD1 TRP A 40 9.239 -0.127 3.697 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.240 0.615 5.161 1.00 0.00 H new ATOM 0 HE3 TRP A 40 11.836 1.205 7.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.869 1.622 7.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 10.585 2.053 9.836 1.00 0.00 H new ATOM 0 HH2 TRP A 40 8.133 2.259 9.770 1.00 0.00 H new ATOM 597 N LYS A 41 10.547 2.054 2.954 1.00 0.00 N ATOM 598 CA LYS A 41 9.732 2.318 1.775 1.00 0.00 C ATOM 599 C LYS A 41 10.523 3.104 0.732 1.00 0.00 C ATOM 600 O LYS A 41 11.486 3.796 1.062 1.00 0.00 O ATOM 601 CB LYS A 41 8.470 3.093 2.163 1.00 0.00 C ATOM 602 CG LYS A 41 7.355 2.209 2.694 1.00 0.00 C ATOM 603 CD LYS A 41 6.631 1.488 1.569 1.00 0.00 C ATOM 604 CE LYS A 41 5.843 0.295 2.088 1.00 0.00 C ATOM 605 NZ LYS A 41 4.859 -0.197 1.086 1.00 0.00 N ATOM 0 H LYS A 41 10.127 2.358 3.833 1.00 0.00 H new ATOM 0 HA LYS A 41 9.443 1.360 1.342 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.727 3.834 2.920 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.107 3.639 1.292 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.769 1.478 3.389 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.644 2.816 3.255 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.956 2.181 1.067 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.354 1.152 0.826 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.531 -0.510 2.347 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.321 0.575 3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.187 -0.843 1.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.342 0.610 0.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.359 -0.703 0.327 1.00 0.00 H new ATOM 619 N SER A 42 10.107 2.992 -0.525 1.00 0.00 N ATOM 620 CA SER A 42 10.778 3.690 -1.616 1.00 0.00 C ATOM 621 C SER A 42 10.122 5.042 -1.880 1.00 0.00 C ATOM 622 O SER A 42 9.034 5.327 -1.378 1.00 0.00 O ATOM 623 CB SER A 42 10.749 2.840 -2.888 1.00 0.00 C ATOM 624 OG SER A 42 11.887 1.997 -2.963 1.00 0.00 O ATOM 0 H SER A 42 9.309 2.425 -0.813 1.00 0.00 H new ATOM 0 HA SER A 42 11.814 3.859 -1.324 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.842 2.235 -2.905 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.715 3.489 -3.763 1.00 0.00 H new ATOM 0 HG SER A 42 11.845 1.463 -3.783 1.00 0.00 H new ATOM 630 N LEU A 43 10.792 5.872 -2.673 1.00 0.00 N ATOM 631 CA LEU A 43 10.276 7.196 -3.004 1.00 0.00 C ATOM 632 C LEU A 43 8.978 7.089 -3.800 1.00 0.00 C ATOM 633 O LEU A 43 7.928 7.561 -3.362 1.00 0.00 O ATOM 634 CB LEU A 43 11.314 7.984 -3.805 1.00 0.00 C ATOM 635 CG LEU A 43 11.215 9.507 -3.717 1.00 0.00 C ATOM 636 CD1 LEU A 43 9.989 10.006 -4.468 1.00 0.00 C ATOM 637 CD2 LEU A 43 11.171 9.956 -2.264 1.00 0.00 C ATOM 0 H LEU A 43 11.693 5.652 -3.098 1.00 0.00 H new ATOM 0 HA LEU A 43 10.069 7.723 -2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.307 7.684 -3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.231 7.695 -4.853 1.00 0.00 H new ATOM 0 HG LEU A 43 12.102 9.937 -4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.935 11.092 -4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.062 9.716 -5.516 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.092 9.567 -4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.101 11.043 -2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.303 9.516 -1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.078 9.631 -1.755 1.00 0.00 H new ATOM 649 N THR A 44 9.056 6.467 -4.971 1.00 0.00 N ATOM 650 CA THR A 44 7.889 6.297 -5.827 1.00 0.00 C ATOM 651 C THR A 44 6.864 5.371 -5.183 1.00 0.00 C ATOM 652 O THR A 44 5.677 5.689 -5.120 1.00 0.00 O ATOM 653 CB THR A 44 8.280 5.732 -7.205 1.00 0.00 C ATOM 654 OG1 THR A 44 9.523 6.302 -7.635 1.00 0.00 O ATOM 655 CG2 THR A 44 7.201 6.025 -8.236 1.00 0.00 C ATOM 0 H THR A 44 9.917 6.072 -5.349 1.00 0.00 H new ATOM 0 HA THR A 44 7.449 7.285 -5.960 1.00 0.00 H new ATOM 0 HB THR A 44 8.389 4.651 -7.111 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.765 5.936 -8.511 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.500 5.616 -9.201 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.263 5.566 -7.922 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.066 7.103 -8.325 1.00 0.00 H new ATOM 663 N SER A 45 7.331 4.222 -4.704 1.00 0.00 N ATOM 664 CA SER A 45 6.454 3.247 -4.067 1.00 0.00 C ATOM 665 C SER A 45 5.417 3.941 -3.188 1.00 0.00 C ATOM 666 O SER A 45 4.242 3.576 -3.190 1.00 0.00 O ATOM 667 CB SER A 45 7.273 2.264 -3.228 1.00 0.00 C ATOM 668 OG SER A 45 8.063 1.425 -4.053 1.00 0.00 O ATOM 0 H SER A 45 8.311 3.944 -4.745 1.00 0.00 H new ATOM 0 HA SER A 45 5.932 2.698 -4.851 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.916 2.815 -2.542 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.604 1.655 -2.619 1.00 0.00 H new ATOM 0 HG SER A 45 8.492 0.736 -3.504 1.00 0.00 H new ATOM 674 N ILE A 46 5.863 4.944 -2.438 1.00 0.00 N ATOM 675 CA ILE A 46 4.976 5.689 -1.555 1.00 0.00 C ATOM 676 C ILE A 46 3.978 6.521 -2.354 1.00 0.00 C ATOM 677 O ILE A 46 2.823 6.674 -1.955 1.00 0.00 O ATOM 678 CB ILE A 46 5.767 6.620 -0.615 1.00 0.00 C ATOM 679 CG1 ILE A 46 6.593 5.796 0.374 1.00 0.00 C ATOM 680 CG2 ILE A 46 4.821 7.554 0.124 1.00 0.00 C ATOM 681 CD1 ILE A 46 7.736 6.569 0.995 1.00 0.00 C ATOM 0 H ILE A 46 6.833 5.259 -2.425 1.00 0.00 H new ATOM 0 HA ILE A 46 4.437 4.955 -0.956 1.00 0.00 H new ATOM 0 HB ILE A 46 6.448 7.225 -1.213 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.939 5.431 1.166 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.992 4.921 -0.139 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.394 8.205 0.784 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.272 8.160 -0.596 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.118 6.967 0.715 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.279 5.924 1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.412 6.912 0.211 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.342 7.429 1.536 1.00 0.00 H new ATOM 693 N ILE A 47 4.431 7.055 -3.483 1.00 0.00 N ATOM 694 CA ILE A 47 3.578 7.868 -4.340 1.00 0.00 C ATOM 695 C ILE A 47 2.422 7.048 -4.903 1.00 0.00 C ATOM 696 O ILE A 47 1.260 7.431 -4.782 1.00 0.00 O ATOM 697 CB ILE A 47 4.373 8.483 -5.507 1.00 0.00 C ATOM 698 CG1 ILE A 47 5.510 9.356 -4.973 1.00 0.00 C ATOM 699 CG2 ILE A 47 3.453 9.294 -6.405 1.00 0.00 C ATOM 700 CD1 ILE A 47 6.584 9.643 -5.999 1.00 0.00 C ATOM 0 H ILE A 47 5.385 6.939 -3.826 1.00 0.00 H new ATOM 0 HA ILE A 47 3.182 8.671 -3.719 1.00 0.00 H new ATOM 0 HB ILE A 47 4.806 7.676 -6.098 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.097 10.300 -4.618 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.963 8.863 -4.113 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.030 9.722 -7.225 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.675 8.646 -6.808 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.994 10.096 -5.827 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.358 10.267 -5.551 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.025 8.705 -6.337 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.145 10.164 -6.849 1.00 0.00 H new ATOM 712 N GLU A 48 2.752 5.917 -5.518 1.00 0.00 N ATOM 713 CA GLU A 48 1.741 5.041 -6.100 1.00 0.00 C ATOM 714 C GLU A 48 0.462 5.058 -5.266 1.00 0.00 C ATOM 715 O GLU A 48 -0.622 5.336 -5.778 1.00 0.00 O ATOM 716 CB GLU A 48 2.273 3.611 -6.208 1.00 0.00 C ATOM 717 CG GLU A 48 3.035 3.341 -7.495 1.00 0.00 C ATOM 718 CD GLU A 48 3.447 1.889 -7.635 1.00 0.00 C ATOM 719 OE1 GLU A 48 4.538 1.531 -7.143 1.00 0.00 O ATOM 720 OE2 GLU A 48 2.679 1.109 -8.237 1.00 0.00 O ATOM 0 H GLU A 48 3.711 5.586 -5.626 1.00 0.00 H new ATOM 0 HA GLU A 48 1.509 5.410 -7.099 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.927 3.411 -5.359 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.437 2.915 -6.138 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.415 3.622 -8.346 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.924 3.972 -7.526 1.00 0.00 H new ATOM 727 N TYR A 49 0.598 4.757 -3.980 1.00 0.00 N ATOM 728 CA TYR A 49 -0.545 4.734 -3.075 1.00 0.00 C ATOM 729 C TYR A 49 -1.390 5.994 -3.233 1.00 0.00 C ATOM 730 O TYR A 49 -2.606 5.921 -3.418 1.00 0.00 O ATOM 731 CB TYR A 49 -0.072 4.603 -1.626 1.00 0.00 C ATOM 732 CG TYR A 49 -1.122 4.039 -0.696 1.00 0.00 C ATOM 733 CD1 TYR A 49 -1.485 2.699 -0.755 1.00 0.00 C ATOM 734 CD2 TYR A 49 -1.752 4.847 0.244 1.00 0.00 C ATOM 735 CE1 TYR A 49 -2.445 2.181 0.093 1.00 0.00 C ATOM 736 CE2 TYR A 49 -2.711 4.336 1.096 1.00 0.00 C ATOM 737 CZ TYR A 49 -3.055 3.002 1.017 1.00 0.00 C ATOM 738 OH TYR A 49 -4.011 2.490 1.864 1.00 0.00 O ATOM 0 H TYR A 49 1.489 4.525 -3.540 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.160 3.871 -3.329 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.809 3.962 -1.597 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.235 5.584 -1.262 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.009 2.051 -1.476 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.487 5.892 0.309 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.716 1.137 0.032 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.190 4.978 1.821 1.00 0.00 H new ATOM 0 HH TYR A 49 -4.340 3.200 2.453 1.00 0.00 H new ATOM 748 N TYR A 50 -0.738 7.149 -3.161 1.00 0.00 N ATOM 749 CA TYR A 50 -1.429 8.427 -3.295 1.00 0.00 C ATOM 750 C TYR A 50 -2.586 8.320 -4.283 1.00 0.00 C ATOM 751 O TYR A 50 -3.712 8.717 -3.984 1.00 0.00 O ATOM 752 CB TYR A 50 -0.453 9.513 -3.751 1.00 0.00 C ATOM 753 CG TYR A 50 -1.097 10.869 -3.931 1.00 0.00 C ATOM 754 CD1 TYR A 50 -1.402 11.665 -2.835 1.00 0.00 C ATOM 755 CD2 TYR A 50 -1.402 11.353 -5.197 1.00 0.00 C ATOM 756 CE1 TYR A 50 -1.991 12.905 -2.994 1.00 0.00 C ATOM 757 CE2 TYR A 50 -1.989 12.592 -5.366 1.00 0.00 C ATOM 758 CZ TYR A 50 -2.282 13.364 -4.262 1.00 0.00 C ATOM 759 OH TYR A 50 -2.869 14.597 -4.426 1.00 0.00 O ATOM 0 H TYR A 50 0.268 7.227 -3.011 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.832 8.697 -2.319 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.352 9.596 -3.021 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.002 9.208 -4.693 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.175 11.309 -1.841 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -1.176 10.750 -6.064 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.222 13.511 -2.131 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.217 12.954 -6.358 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.006 14.770 -5.381 1.00 0.00 H new ATOM 769 N TYR A 51 -2.300 7.778 -5.462 1.00 0.00 N ATOM 770 CA TYR A 51 -3.315 7.619 -6.497 1.00 0.00 C ATOM 771 C TYR A 51 -4.488 6.788 -5.986 1.00 0.00 C ATOM 772 O TYR A 51 -5.643 7.207 -6.068 1.00 0.00 O ATOM 773 CB TYR A 51 -2.711 6.960 -7.737 1.00 0.00 C ATOM 774 CG TYR A 51 -1.580 7.752 -8.354 1.00 0.00 C ATOM 775 CD1 TYR A 51 -1.812 8.990 -8.942 1.00 0.00 C ATOM 776 CD2 TYR A 51 -0.279 7.263 -8.348 1.00 0.00 C ATOM 777 CE1 TYR A 51 -0.782 9.717 -9.507 1.00 0.00 C ATOM 778 CE2 TYR A 51 0.758 7.985 -8.909 1.00 0.00 C ATOM 779 CZ TYR A 51 0.500 9.210 -9.488 1.00 0.00 C ATOM 780 OH TYR A 51 1.529 9.932 -10.048 1.00 0.00 O ATOM 0 H TYR A 51 -1.374 7.441 -5.725 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.683 8.610 -6.764 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.345 5.969 -7.470 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.494 6.821 -8.482 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.815 9.391 -8.957 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.075 6.303 -7.898 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.980 10.677 -9.961 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.764 7.592 -8.894 1.00 0.00 H new ATOM 0 HH TYR A 51 2.368 9.435 -9.950 1.00 0.00 H new ATOM 790 N MET A 52 -4.182 5.607 -5.458 1.00 0.00 N ATOM 791 CA MET A 52 -5.210 4.717 -4.932 1.00 0.00 C ATOM 792 C MET A 52 -6.034 5.414 -3.853 1.00 0.00 C ATOM 793 O MET A 52 -7.214 5.117 -3.672 1.00 0.00 O ATOM 794 CB MET A 52 -4.573 3.448 -4.362 1.00 0.00 C ATOM 795 CG MET A 52 -5.573 2.335 -4.090 1.00 0.00 C ATOM 796 SD MET A 52 -6.541 2.621 -2.597 1.00 0.00 S ATOM 797 CE MET A 52 -5.259 2.564 -1.346 1.00 0.00 C ATOM 0 H MET A 52 -3.231 5.245 -5.383 1.00 0.00 H new ATOM 0 HA MET A 52 -5.874 4.446 -5.753 1.00 0.00 H new ATOM 0 HB2 MET A 52 -3.819 3.085 -5.060 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.056 3.696 -3.435 1.00 0.00 H new ATOM 0 HG2 MET A 52 -6.246 2.240 -4.942 1.00 0.00 H new ATOM 0 HG3 MET A 52 -5.041 1.388 -3.997 1.00 0.00 H new ATOM 0 HE1 MET A 52 -5.709 2.368 -0.373 1.00 0.00 H new ATOM 0 HE2 MET A 52 -4.552 1.770 -1.586 1.00 0.00 H new ATOM 0 HE3 MET A 52 -4.735 3.520 -1.318 1.00 0.00 H new ATOM 807 N TRP A 53 -5.403 6.341 -3.142 1.00 0.00 N ATOM 808 CA TRP A 53 -6.079 7.081 -2.081 1.00 0.00 C ATOM 809 C TRP A 53 -7.022 8.128 -2.663 1.00 0.00 C ATOM 810 O TRP A 53 -8.152 8.285 -2.200 1.00 0.00 O ATOM 811 CB TRP A 53 -5.053 7.752 -1.166 1.00 0.00 C ATOM 812 CG TRP A 53 -5.617 8.154 0.163 1.00 0.00 C ATOM 813 CD1 TRP A 53 -5.985 7.323 1.182 1.00 0.00 C ATOM 814 CD2 TRP A 53 -5.876 9.487 0.616 1.00 0.00 C ATOM 815 NE1 TRP A 53 -6.458 8.059 2.241 1.00 0.00 N ATOM 816 CE2 TRP A 53 -6.401 9.389 1.920 1.00 0.00 C ATOM 817 CE3 TRP A 53 -5.714 10.754 0.049 1.00 0.00 C ATOM 818 CZ2 TRP A 53 -6.765 10.510 2.661 1.00 0.00 C ATOM 819 CZ3 TRP A 53 -6.077 11.864 0.786 1.00 0.00 C ATOM 820 CH2 TRP A 53 -6.596 11.737 2.081 1.00 0.00 C ATOM 0 H TRP A 53 -4.426 6.599 -3.280 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.668 6.374 -1.497 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.218 7.070 -1.007 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.654 8.635 -1.665 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.915 6.246 1.159 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -6.797 7.677 3.124 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.312 10.863 -0.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.167 10.414 3.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.959 12.848 0.356 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -6.868 12.625 2.632 1.00 0.00 H new ATOM 831 N LYS A 54 -6.552 8.842 -3.680 1.00 0.00 N ATOM 832 CA LYS A 54 -7.354 9.873 -4.327 1.00 0.00 C ATOM 833 C LYS A 54 -8.464 9.252 -5.168 1.00 0.00 C ATOM 834 O LYS A 54 -9.503 9.871 -5.400 1.00 0.00 O ATOM 835 CB LYS A 54 -6.468 10.760 -5.206 1.00 0.00 C ATOM 836 CG LYS A 54 -6.339 10.263 -6.635 1.00 0.00 C ATOM 837 CD LYS A 54 -7.427 10.839 -7.526 1.00 0.00 C ATOM 838 CE LYS A 54 -6.953 10.981 -8.965 1.00 0.00 C ATOM 839 NZ LYS A 54 -6.456 9.689 -9.514 1.00 0.00 N ATOM 0 H LYS A 54 -5.619 8.725 -4.074 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.812 10.484 -3.549 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.877 11.770 -5.217 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.475 10.823 -4.761 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.361 10.538 -7.030 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.394 9.174 -6.649 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.305 10.194 -7.493 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.733 11.813 -7.145 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.773 11.347 -9.583 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.159 11.726 -9.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.754 9.875 -10.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.015 9.135 -8.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.252 9.153 -9.915 1.00 0.00 H new ATOM 853 N THR A 55 -8.238 8.023 -5.622 1.00 0.00 N ATOM 854 CA THR A 55 -9.219 7.318 -6.438 1.00 0.00 C ATOM 855 C THR A 55 -10.199 6.539 -5.567 1.00 0.00 C ATOM 856 O THR A 55 -10.927 5.674 -6.055 1.00 0.00 O ATOM 857 CB THR A 55 -8.540 6.347 -7.421 1.00 0.00 C ATOM 858 OG1 THR A 55 -7.593 5.528 -6.725 1.00 0.00 O ATOM 859 CG2 THR A 55 -7.836 7.108 -8.534 1.00 0.00 C ATOM 0 H THR A 55 -7.385 7.495 -5.438 1.00 0.00 H new ATOM 0 HA THR A 55 -9.761 8.075 -7.004 1.00 0.00 H new ATOM 0 HB THR A 55 -9.310 5.716 -7.864 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.759 6.027 -6.599 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.364 6.401 -9.216 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.563 7.709 -9.080 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.076 7.760 -8.104 1.00 0.00 H new ATOM 867 N THR A 56 -10.213 6.850 -4.275 1.00 0.00 N ATOM 868 CA THR A 56 -11.104 6.179 -3.337 1.00 0.00 C ATOM 869 C THR A 56 -12.562 6.506 -3.632 1.00 0.00 C ATOM 870 O THR A 56 -12.869 7.196 -4.604 1.00 0.00 O ATOM 871 CB THR A 56 -10.785 6.571 -1.881 1.00 0.00 C ATOM 872 OG1 THR A 56 -10.552 7.982 -1.795 1.00 0.00 O ATOM 873 CG2 THR A 56 -9.566 5.818 -1.372 1.00 0.00 C ATOM 0 H THR A 56 -9.617 7.563 -3.854 1.00 0.00 H new ATOM 0 HA THR A 56 -10.944 5.108 -3.461 1.00 0.00 H new ATOM 0 HB THR A 56 -11.640 6.305 -1.260 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.617 8.145 -1.550 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.361 6.111 -0.343 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.758 4.746 -1.412 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.705 6.056 -1.996 1.00 0.00 H new ATOM 881 N ASP A 57 -13.458 6.009 -2.787 1.00 0.00 N ATOM 882 CA ASP A 57 -14.886 6.251 -2.957 1.00 0.00 C ATOM 883 C ASP A 57 -15.412 5.548 -4.204 1.00 0.00 C ATOM 884 O ASP A 57 -16.326 6.041 -4.867 1.00 0.00 O ATOM 885 CB ASP A 57 -15.163 7.752 -3.046 1.00 0.00 C ATOM 886 CG ASP A 57 -16.641 8.076 -2.937 1.00 0.00 C ATOM 887 OD1 ASP A 57 -17.364 7.324 -2.250 1.00 0.00 O ATOM 888 OD2 ASP A 57 -17.073 9.082 -3.536 1.00 0.00 O ATOM 0 H ASP A 57 -13.221 5.436 -1.977 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.404 5.845 -2.088 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.622 8.266 -2.252 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.779 8.134 -3.992 1.00 0.00 H new ATOM 893 N ARG A 58 -14.829 4.397 -4.518 1.00 0.00 N ATOM 894 CA ARG A 58 -15.237 3.627 -5.689 1.00 0.00 C ATOM 895 C ARG A 58 -16.221 2.527 -5.300 1.00 0.00 C ATOM 896 O ARG A 58 -15.824 1.473 -4.803 1.00 0.00 O ATOM 897 CB ARG A 58 -14.015 3.014 -6.374 1.00 0.00 C ATOM 898 CG ARG A 58 -13.257 3.992 -7.257 1.00 0.00 C ATOM 899 CD ARG A 58 -13.890 4.102 -8.636 1.00 0.00 C ATOM 900 NE ARG A 58 -13.895 2.822 -9.339 1.00 0.00 N ATOM 901 CZ ARG A 58 -14.179 2.694 -10.630 1.00 0.00 C ATOM 902 NH1 ARG A 58 -14.478 3.763 -11.356 1.00 0.00 N ATOM 903 NH2 ARG A 58 -14.163 1.495 -11.199 1.00 0.00 N ATOM 0 H ARG A 58 -14.072 3.976 -3.979 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.732 4.305 -6.384 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.339 2.626 -5.612 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.335 2.165 -6.978 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -13.240 4.974 -6.784 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.221 3.668 -7.356 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.913 4.466 -8.537 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.346 4.838 -9.227 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.668 1.980 -8.810 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -14.490 4.686 -10.923 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -14.696 3.662 -12.347 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.932 0.670 -10.645 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.381 1.398 -12.191 1.00 0.00 H new ATOM 917 N TYR A 59 -17.504 2.781 -5.530 1.00 0.00 N ATOM 918 CA TYR A 59 -18.545 1.814 -5.201 1.00 0.00 C ATOM 919 C TYR A 59 -18.184 1.033 -3.942 1.00 0.00 C ATOM 920 O TYR A 59 -18.196 -0.198 -3.936 1.00 0.00 O ATOM 921 CB TYR A 59 -18.762 0.850 -6.369 1.00 0.00 C ATOM 922 CG TYR A 59 -20.176 0.323 -6.465 1.00 0.00 C ATOM 923 CD1 TYR A 59 -20.850 -0.124 -5.335 1.00 0.00 C ATOM 924 CD2 TYR A 59 -20.837 0.273 -7.686 1.00 0.00 C ATOM 925 CE1 TYR A 59 -22.141 -0.606 -5.418 1.00 0.00 C ATOM 926 CE2 TYR A 59 -22.130 -0.207 -7.778 1.00 0.00 C ATOM 927 CZ TYR A 59 -22.777 -0.646 -6.641 1.00 0.00 C ATOM 928 OH TYR A 59 -24.065 -1.125 -6.728 1.00 0.00 O ATOM 0 H TYR A 59 -17.848 3.648 -5.943 1.00 0.00 H new ATOM 0 HA TYR A 59 -19.469 2.361 -5.014 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -18.508 1.357 -7.300 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -18.076 0.009 -6.267 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -20.355 -0.094 -4.375 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -20.332 0.615 -8.578 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -22.650 -0.950 -4.530 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -22.631 -0.238 -8.734 1.00 0.00 H new ATOM 0 HH TYR A 59 -24.367 -1.084 -7.659 1.00 0.00 H new ATOM 938 N VAL A 60 -17.864 1.758 -2.874 1.00 0.00 N ATOM 939 CA VAL A 60 -17.502 1.134 -1.607 1.00 0.00 C ATOM 940 C VAL A 60 -18.743 0.721 -0.823 1.00 0.00 C ATOM 941 O VAL A 60 -18.723 -0.264 -0.086 1.00 0.00 O ATOM 942 CB VAL A 60 -16.651 2.081 -0.739 1.00 0.00 C ATOM 943 CG1 VAL A 60 -17.354 3.417 -0.559 1.00 0.00 C ATOM 944 CG2 VAL A 60 -16.351 1.441 0.608 1.00 0.00 C ATOM 0 H VAL A 60 -17.848 2.778 -2.862 1.00 0.00 H new ATOM 0 HA VAL A 60 -16.916 0.247 -1.847 1.00 0.00 H new ATOM 0 HB VAL A 60 -15.705 2.262 -1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -16.738 4.072 0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -17.513 3.879 -1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -18.316 3.259 -0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -15.749 2.123 1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -17.286 1.229 1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -15.802 0.512 0.455 1.00 0.00 H new ATOM 954 N GLN A 61 -19.821 1.482 -0.988 1.00 0.00 N ATOM 955 CA GLN A 61 -21.071 1.194 -0.295 1.00 0.00 C ATOM 956 C GLN A 61 -21.994 0.348 -1.165 1.00 0.00 C ATOM 957 O GLN A 61 -21.810 0.261 -2.379 1.00 0.00 O ATOM 958 CB GLN A 61 -21.772 2.495 0.097 1.00 0.00 C ATOM 959 CG GLN A 61 -20.995 3.327 1.104 1.00 0.00 C ATOM 960 CD GLN A 61 -21.863 4.345 1.816 1.00 0.00 C ATOM 961 OE1 GLN A 61 -22.475 5.206 1.183 1.00 0.00 O ATOM 962 NE2 GLN A 61 -21.922 4.253 3.139 1.00 0.00 N ATOM 0 H GLN A 61 -19.853 2.301 -1.595 1.00 0.00 H new ATOM 0 HA GLN A 61 -20.835 0.630 0.607 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -21.941 3.091 -0.800 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -22.752 2.259 0.513 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -20.539 2.666 1.841 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -20.182 3.843 0.593 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -21.399 3.524 3.623 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -22.491 4.912 3.671 1.00 0.00 H new ATOM 971 N GLN A 62 -22.985 -0.275 -0.537 1.00 0.00 N ATOM 972 CA GLN A 62 -23.936 -1.116 -1.256 1.00 0.00 C ATOM 973 C GLN A 62 -25.092 -0.285 -1.804 1.00 0.00 C ATOM 974 O GLN A 62 -25.369 0.811 -1.316 1.00 0.00 O ATOM 975 CB GLN A 62 -24.473 -2.214 -0.336 1.00 0.00 C ATOM 976 CG GLN A 62 -25.270 -3.283 -1.067 1.00 0.00 C ATOM 977 CD GLN A 62 -24.482 -3.932 -2.189 1.00 0.00 C ATOM 978 OE1 GLN A 62 -23.254 -4.000 -2.143 1.00 0.00 O ATOM 979 NE2 GLN A 62 -25.187 -4.414 -3.205 1.00 0.00 N ATOM 0 H GLN A 62 -23.151 -0.214 0.468 1.00 0.00 H new ATOM 0 HA GLN A 62 -23.414 -1.577 -2.095 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -23.637 -2.685 0.180 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -25.104 -1.760 0.428 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -25.581 -4.049 -0.356 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -26.178 -2.839 -1.475 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -26.204 -4.336 -3.202 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -24.712 -4.862 -3.988 1.00 0.00 H new ATOM 988 N LYS A 63 -25.762 -0.813 -2.823 1.00 0.00 N ATOM 989 CA LYS A 63 -26.888 -0.122 -3.438 1.00 0.00 C ATOM 990 C LYS A 63 -28.064 -0.028 -2.471 1.00 0.00 C ATOM 991 O LYS A 63 -28.196 -0.844 -1.559 1.00 0.00 O ATOM 992 CB LYS A 63 -27.321 -0.845 -4.716 1.00 0.00 C ATOM 993 CG LYS A 63 -28.522 -0.212 -5.396 1.00 0.00 C ATOM 994 CD LYS A 63 -28.629 -0.642 -6.849 1.00 0.00 C ATOM 995 CE LYS A 63 -29.838 -0.013 -7.528 1.00 0.00 C ATOM 996 NZ LYS A 63 -29.581 1.401 -7.917 1.00 0.00 N ATOM 0 H LYS A 63 -25.544 -1.718 -3.240 1.00 0.00 H new ATOM 0 HA LYS A 63 -26.567 0.889 -3.691 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -26.485 -0.861 -5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -27.555 -1.882 -4.475 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -29.432 -0.492 -4.865 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -28.442 0.874 -5.342 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -27.722 -0.357 -7.382 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -28.703 -1.728 -6.904 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -30.099 -0.592 -8.414 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -30.695 -0.055 -6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -30.427 1.794 -8.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -29.356 1.959 -7.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -28.779 1.439 -8.578 1.00 0.00 H new ATOM 1010 N ARG A 64 -28.916 0.971 -2.677 1.00 0.00 N ATOM 1011 CA ARG A 64 -30.080 1.170 -1.823 1.00 0.00 C ATOM 1012 C ARG A 64 -31.205 1.860 -2.590 1.00 0.00 C ATOM 1013 O ARG A 64 -30.955 2.649 -3.502 1.00 0.00 O ATOM 1014 CB ARG A 64 -29.703 2.000 -0.594 1.00 0.00 C ATOM 1015 CG ARG A 64 -29.400 3.455 -0.913 1.00 0.00 C ATOM 1016 CD ARG A 64 -29.619 4.347 0.299 1.00 0.00 C ATOM 1017 NE ARG A 64 -28.540 4.218 1.276 1.00 0.00 N ATOM 1018 CZ ARG A 64 -28.676 4.515 2.564 1.00 0.00 C ATOM 1019 NH1 ARG A 64 -29.838 4.955 3.028 1.00 0.00 N ATOM 1020 NH2 ARG A 64 -27.649 4.370 3.392 1.00 0.00 N ATOM 0 H ARG A 64 -28.822 1.655 -3.428 1.00 0.00 H new ATOM 0 HA ARG A 64 -30.432 0.191 -1.497 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -30.519 1.957 0.127 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -28.831 1.552 -0.117 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -28.368 3.547 -1.253 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -30.036 3.789 -1.732 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -29.693 5.385 -0.024 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -30.568 4.091 0.771 1.00 0.00 H new ATOM 0 HE ARG A 64 -27.633 3.882 0.952 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -30.631 5.066 2.396 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -29.939 5.182 4.017 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -26.754 4.030 3.040 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -27.755 4.598 4.380 1.00 0.00 H new ATOM 1034 N SER A 65 -32.443 1.558 -2.213 1.00 0.00 N ATOM 1035 CA SER A 65 -33.606 2.145 -2.868 1.00 0.00 C ATOM 1036 C SER A 65 -33.870 3.554 -2.348 1.00 0.00 C ATOM 1037 O SER A 65 -33.464 3.904 -1.240 1.00 0.00 O ATOM 1038 CB SER A 65 -34.840 1.268 -2.646 1.00 0.00 C ATOM 1039 OG SER A 65 -35.168 1.190 -1.269 1.00 0.00 O ATOM 0 H SER A 65 -32.667 0.910 -1.457 1.00 0.00 H new ATOM 0 HA SER A 65 -33.398 2.204 -3.936 1.00 0.00 H new ATOM 0 HB2 SER A 65 -35.685 1.675 -3.202 1.00 0.00 H new ATOM 0 HB3 SER A 65 -34.654 0.267 -3.036 1.00 0.00 H new ATOM 0 HG SER A 65 -35.961 0.626 -1.153 1.00 0.00 H new ATOM 1045 N GLY A 66 -34.552 4.360 -3.156 1.00 0.00 N ATOM 1046 CA GLY A 66 -34.857 5.722 -2.760 1.00 0.00 C ATOM 1047 C GLY A 66 -36.347 6.007 -2.765 1.00 0.00 C ATOM 1048 O GLY A 66 -37.174 5.099 -2.686 1.00 0.00 O ATOM 0 H GLY A 66 -34.899 4.094 -4.078 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -34.458 5.905 -1.762 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -34.355 6.415 -3.436 1.00 0.00 H new ATOM 1052 N PRO A 67 -36.706 7.296 -2.857 1.00 0.00 N ATOM 1053 CA PRO A 67 -38.106 7.728 -2.874 1.00 0.00 C ATOM 1054 C PRO A 67 -38.820 7.336 -4.162 1.00 0.00 C ATOM 1055 O PRO A 67 -40.049 7.288 -4.214 1.00 0.00 O ATOM 1056 CB PRO A 67 -38.009 9.251 -2.759 1.00 0.00 C ATOM 1057 CG PRO A 67 -36.666 9.587 -3.309 1.00 0.00 C ATOM 1058 CD PRO A 67 -35.772 8.431 -2.954 1.00 0.00 C ATOM 0 HA PRO A 67 -38.685 7.262 -2.076 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -38.802 9.742 -3.323 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -38.106 9.577 -1.723 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -36.711 9.728 -4.389 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -36.290 10.517 -2.881 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -35.012 8.262 -3.716 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -35.248 8.602 -2.014 1.00 0.00 H new ATOM 1066 N SER A 68 -38.041 7.053 -5.202 1.00 0.00 N ATOM 1067 CA SER A 68 -38.599 6.668 -6.493 1.00 0.00 C ATOM 1068 C SER A 68 -39.709 7.626 -6.914 1.00 0.00 C ATOM 1069 O SER A 68 -40.757 7.204 -7.403 1.00 0.00 O ATOM 1070 CB SER A 68 -39.140 5.238 -6.432 1.00 0.00 C ATOM 1071 OG SER A 68 -38.091 4.303 -6.254 1.00 0.00 O ATOM 0 H SER A 68 -37.022 7.083 -5.175 1.00 0.00 H new ATOM 0 HA SER A 68 -37.801 6.717 -7.234 1.00 0.00 H new ATOM 0 HB2 SER A 68 -39.853 5.150 -5.612 1.00 0.00 H new ATOM 0 HB3 SER A 68 -39.681 5.011 -7.350 1.00 0.00 H new ATOM 0 HG SER A 68 -38.463 3.397 -6.216 1.00 0.00 H new ATOM 1077 N SER A 69 -39.471 8.919 -6.719 1.00 0.00 N ATOM 1078 CA SER A 69 -40.451 9.939 -7.074 1.00 0.00 C ATOM 1079 C SER A 69 -40.269 10.387 -8.521 1.00 0.00 C ATOM 1080 O SER A 69 -39.186 10.811 -8.920 1.00 0.00 O ATOM 1081 CB SER A 69 -40.330 11.142 -6.137 1.00 0.00 C ATOM 1082 OG SER A 69 -41.370 12.076 -6.368 1.00 0.00 O ATOM 0 H SER A 69 -38.608 9.285 -6.317 1.00 0.00 H new ATOM 0 HA SER A 69 -41.445 9.504 -6.968 1.00 0.00 H new ATOM 0 HB2 SER A 69 -40.364 10.805 -5.101 1.00 0.00 H new ATOM 0 HB3 SER A 69 -39.364 11.625 -6.284 1.00 0.00 H new ATOM 0 HG SER A 69 -41.271 12.834 -5.755 1.00 0.00 H new ATOM 1088 N GLY A 70 -41.340 10.289 -9.303 1.00 0.00 N ATOM 1089 CA GLY A 70 -41.278 10.687 -10.698 1.00 0.00 C ATOM 1090 C GLY A 70 -41.642 9.556 -11.640 1.00 0.00 C ATOM 1091 O GLY A 70 -40.767 8.843 -12.130 1.00 0.00 O ATOM 0 H GLY A 70 -42.249 9.942 -8.996 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -41.954 11.526 -10.864 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -40.272 11.038 -10.928 1.00 0.00 H new TER 1095 GLY A 70