USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 730 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 70 HIS : no HD1:sc= -0.386 X(o=-0.91,f=-0.43) USER MOD Set 1.2: A 90 TYR OH : rot 180:sc= -0.522 USER MOD Set 2.1: A 45 ASN : amide:sc= 0.725 K(o=-0.66,f=-8.5!) USER MOD Set 2.2: A 48 THR OG1 : rot 180:sc= -1.38 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 20:sc= 0.681 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 11 SER OG : rot -120:sc= -0.464 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 165:sc= -0.311 USER MOD Single : A 21 MET CE :methyl -132:sc= -2.17! (180deg=-5.07!) USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 57:sc= 1.29 USER MOD Single : A 33 MET CE :methyl 169:sc= -0.48 (180deg=-0.934) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.105 USER MOD Single : A 41 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00819) USER MOD Single : A 54 TYR OH : rot 180:sc= -2.54! USER MOD Single : A 55 CYS SG : rot 80:sc= -1.11 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 116:sc= -2.39 USER MOD Single : A 71 LYS NZ :NH3+ -137:sc= -1.01 (180deg=-2.83!) USER MOD Single : A 73 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.2!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 50:sc= 0.0781 USER MOD Single : A 84 LYS NZ :NH3+ 147:sc= 1 (180deg=0.174) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -2.02 K(o=-2,f=-0.72) USER MOD Single : A 92 THR OG1 : rot -55:sc= 1.15 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -170:sc= -0.444 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.439 11.936 -25.038 1.00 0.00 N ATOM 2 CA GLY A 1 1.331 11.615 -23.626 1.00 0.00 C ATOM 3 C GLY A 1 2.302 10.532 -23.202 1.00 0.00 C ATOM 4 O GLY A 1 1.892 9.435 -22.821 1.00 0.00 O ATOM 0 H1 GLY A 1 0.755 12.681 -25.278 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.402 12.270 -25.245 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.238 11.087 -25.603 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.514 12.514 -23.037 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.313 11.292 -23.407 1.00 0.00 H new ATOM 8 N SER A 2 3.594 10.838 -23.268 1.00 0.00 N ATOM 9 CA SER A 2 4.627 9.880 -22.893 1.00 0.00 C ATOM 10 C SER A 2 5.533 10.455 -21.808 1.00 0.00 C ATOM 11 O SER A 2 6.156 11.500 -21.993 1.00 0.00 O ATOM 12 CB SER A 2 5.461 9.491 -24.115 1.00 0.00 C ATOM 13 OG SER A 2 6.216 10.593 -24.589 1.00 0.00 O ATOM 0 H SER A 2 3.950 11.742 -23.578 1.00 0.00 H new ATOM 0 HA SER A 2 4.136 8.990 -22.499 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.131 8.671 -23.856 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.805 9.128 -24.906 1.00 0.00 H new ATOM 0 HG SER A 2 6.295 11.265 -23.880 1.00 0.00 H new ATOM 19 N SER A 3 5.600 9.764 -20.674 1.00 0.00 N ATOM 20 CA SER A 3 6.426 10.206 -19.557 1.00 0.00 C ATOM 21 C SER A 3 7.324 9.076 -19.064 1.00 0.00 C ATOM 22 O SER A 3 7.097 7.907 -19.375 1.00 0.00 O ATOM 23 CB SER A 3 5.544 10.708 -18.411 1.00 0.00 C ATOM 24 OG SER A 3 5.204 12.072 -18.590 1.00 0.00 O ATOM 0 H SER A 3 5.092 8.896 -20.505 1.00 0.00 H new ATOM 0 HA SER A 3 7.058 11.023 -19.906 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.636 10.108 -18.357 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.067 10.582 -17.463 1.00 0.00 H new ATOM 0 HG SER A 3 4.639 12.369 -17.846 1.00 0.00 H new ATOM 30 N GLY A 4 8.346 9.434 -18.293 1.00 0.00 N ATOM 31 CA GLY A 4 9.265 8.440 -17.770 1.00 0.00 C ATOM 32 C GLY A 4 10.149 7.843 -18.846 1.00 0.00 C ATOM 33 O GLY A 4 9.767 6.879 -19.509 1.00 0.00 O ATOM 0 H GLY A 4 8.554 10.395 -18.021 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.890 8.896 -17.003 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.698 7.644 -17.287 1.00 0.00 H new ATOM 37 N SER A 5 11.334 8.418 -19.023 1.00 0.00 N ATOM 38 CA SER A 5 12.273 7.941 -20.031 1.00 0.00 C ATOM 39 C SER A 5 12.861 6.591 -19.630 1.00 0.00 C ATOM 40 O SER A 5 12.931 5.667 -20.440 1.00 0.00 O ATOM 41 CB SER A 5 13.397 8.959 -20.235 1.00 0.00 C ATOM 42 OG SER A 5 14.013 8.792 -21.500 1.00 0.00 O ATOM 0 H SER A 5 11.667 9.215 -18.481 1.00 0.00 H new ATOM 0 HA SER A 5 11.730 7.818 -20.968 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.996 9.969 -20.153 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.141 8.846 -19.447 1.00 0.00 H new ATOM 0 HG SER A 5 14.726 9.455 -21.607 1.00 0.00 H new ATOM 48 N SER A 6 13.282 6.486 -18.374 1.00 0.00 N ATOM 49 CA SER A 6 13.868 5.251 -17.865 1.00 0.00 C ATOM 50 C SER A 6 13.400 4.976 -16.439 1.00 0.00 C ATOM 51 O SER A 6 12.868 5.858 -15.766 1.00 0.00 O ATOM 52 CB SER A 6 15.395 5.331 -17.906 1.00 0.00 C ATOM 53 OG SER A 6 15.869 6.429 -17.147 1.00 0.00 O ATOM 0 H SER A 6 13.228 7.241 -17.690 1.00 0.00 H new ATOM 0 HA SER A 6 13.537 4.431 -18.503 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.821 4.406 -17.518 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.730 5.428 -18.939 1.00 0.00 H new ATOM 0 HG SER A 6 16.848 6.457 -17.188 1.00 0.00 H new ATOM 59 N GLY A 7 13.603 3.743 -15.984 1.00 0.00 N ATOM 60 CA GLY A 7 13.197 3.372 -14.641 1.00 0.00 C ATOM 61 C GLY A 7 11.727 3.010 -14.559 1.00 0.00 C ATOM 62 O GLY A 7 10.996 3.129 -15.541 1.00 0.00 O ATOM 0 H GLY A 7 14.041 2.995 -16.521 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.796 2.526 -14.304 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.403 4.199 -13.961 1.00 0.00 H new ATOM 66 N MET A 8 11.294 2.564 -13.384 1.00 0.00 N ATOM 67 CA MET A 8 9.901 2.183 -13.178 1.00 0.00 C ATOM 68 C MET A 8 8.976 3.381 -13.366 1.00 0.00 C ATOM 69 O MET A 8 8.724 4.136 -12.427 1.00 0.00 O ATOM 70 CB MET A 8 9.713 1.593 -11.779 1.00 0.00 C ATOM 71 CG MET A 8 9.923 0.089 -11.721 1.00 0.00 C ATOM 72 SD MET A 8 11.643 -0.383 -11.985 1.00 0.00 S ATOM 73 CE MET A 8 11.543 -2.159 -11.774 1.00 0.00 C ATOM 0 H MET A 8 11.887 2.458 -12.561 1.00 0.00 H new ATOM 0 HA MET A 8 9.643 1.428 -13.921 1.00 0.00 H new ATOM 0 HB2 MET A 8 10.410 2.076 -11.093 1.00 0.00 H new ATOM 0 HB3 MET A 8 8.708 1.825 -11.428 1.00 0.00 H new ATOM 0 HG2 MET A 8 9.593 -0.283 -10.751 1.00 0.00 H new ATOM 0 HG3 MET A 8 9.299 -0.390 -12.475 1.00 0.00 H new ATOM 0 HE1 MET A 8 12.532 -2.598 -11.908 1.00 0.00 H new ATOM 0 HE2 MET A 8 11.178 -2.386 -10.773 1.00 0.00 H new ATOM 0 HE3 MET A 8 10.859 -2.575 -12.513 1.00 0.00 H new ATOM 83 N ALA A 9 8.474 3.550 -14.585 1.00 0.00 N ATOM 84 CA ALA A 9 7.576 4.656 -14.894 1.00 0.00 C ATOM 85 C ALA A 9 6.117 4.234 -14.753 1.00 0.00 C ATOM 86 O ALA A 9 5.395 4.741 -13.895 1.00 0.00 O ATOM 87 CB ALA A 9 7.843 5.175 -16.299 1.00 0.00 C ATOM 0 H ALA A 9 8.674 2.935 -15.374 1.00 0.00 H new ATOM 0 HA ALA A 9 7.766 5.457 -14.180 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.166 6.001 -16.517 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.874 5.523 -16.369 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.681 4.373 -17.020 1.00 0.00 H new ATOM 93 N ALA A 10 5.690 3.304 -15.601 1.00 0.00 N ATOM 94 CA ALA A 10 4.318 2.814 -15.569 1.00 0.00 C ATOM 95 C ALA A 10 4.194 1.587 -14.672 1.00 0.00 C ATOM 96 O ALA A 10 3.363 0.712 -14.913 1.00 0.00 O ATOM 97 CB ALA A 10 3.840 2.490 -16.977 1.00 0.00 C ATOM 0 H ALA A 10 6.275 2.875 -16.318 1.00 0.00 H new ATOM 0 HA ALA A 10 3.687 3.601 -15.155 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.814 2.125 -16.938 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.882 3.389 -17.592 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.481 1.723 -17.412 1.00 0.00 H new ATOM 103 N SER A 11 5.026 1.530 -13.637 1.00 0.00 N ATOM 104 CA SER A 11 5.012 0.408 -12.706 1.00 0.00 C ATOM 105 C SER A 11 4.704 0.881 -11.289 1.00 0.00 C ATOM 106 O SER A 11 4.877 2.056 -10.963 1.00 0.00 O ATOM 107 CB SER A 11 6.358 -0.320 -12.731 1.00 0.00 C ATOM 108 OG SER A 11 6.594 -0.912 -13.997 1.00 0.00 O ATOM 0 H SER A 11 5.718 2.248 -13.422 1.00 0.00 H new ATOM 0 HA SER A 11 4.228 -0.281 -13.019 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.159 0.382 -12.499 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.374 -1.088 -11.958 1.00 0.00 H new ATOM 0 HG SER A 11 6.697 -1.881 -13.891 1.00 0.00 H new ATOM 114 N LEU A 12 4.245 -0.041 -10.451 1.00 0.00 N ATOM 115 CA LEU A 12 3.911 0.280 -9.067 1.00 0.00 C ATOM 116 C LEU A 12 4.637 -0.652 -8.102 1.00 0.00 C ATOM 117 O LEU A 12 5.075 -1.737 -8.483 1.00 0.00 O ATOM 118 CB LEU A 12 2.400 0.182 -8.850 1.00 0.00 C ATOM 119 CG LEU A 12 1.532 1.030 -9.781 1.00 0.00 C ATOM 120 CD1 LEU A 12 0.167 0.388 -9.969 1.00 0.00 C ATOM 121 CD2 LEU A 12 1.388 2.443 -9.236 1.00 0.00 C ATOM 0 H LEU A 12 4.095 -1.017 -10.705 1.00 0.00 H new ATOM 0 HA LEU A 12 4.234 1.302 -8.869 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.104 -0.861 -8.960 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.181 0.468 -7.821 1.00 0.00 H new ATOM 0 HG LEU A 12 2.022 1.085 -10.753 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.437 1.005 -10.634 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.288 -0.604 -10.405 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.331 0.302 -9.003 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.767 3.032 -9.911 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.921 2.408 -8.252 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.373 2.903 -9.154 1.00 0.00 H new ATOM 133 N TRP A 13 4.757 -0.221 -6.851 1.00 0.00 N ATOM 134 CA TRP A 13 5.427 -1.019 -5.830 1.00 0.00 C ATOM 135 C TRP A 13 4.419 -1.825 -5.020 1.00 0.00 C ATOM 136 O TRP A 13 3.392 -1.299 -4.590 1.00 0.00 O ATOM 137 CB TRP A 13 6.241 -0.116 -4.902 1.00 0.00 C ATOM 138 CG TRP A 13 6.611 -0.774 -3.607 1.00 0.00 C ATOM 139 CD1 TRP A 13 7.806 -1.356 -3.295 1.00 0.00 C ATOM 140 CD2 TRP A 13 5.778 -0.920 -2.451 1.00 0.00 C ATOM 141 NE1 TRP A 13 7.767 -1.854 -2.015 1.00 0.00 N ATOM 142 CE2 TRP A 13 6.534 -1.599 -1.476 1.00 0.00 C ATOM 143 CE3 TRP A 13 4.468 -0.541 -2.145 1.00 0.00 C ATOM 144 CZ2 TRP A 13 6.022 -1.906 -0.218 1.00 0.00 C ATOM 145 CZ3 TRP A 13 3.961 -0.847 -0.896 1.00 0.00 C ATOM 146 CH2 TRP A 13 4.737 -1.524 0.055 1.00 0.00 C ATOM 0 H TRP A 13 4.400 0.675 -6.520 1.00 0.00 H new ATOM 0 HA TRP A 13 6.100 -1.715 -6.331 1.00 0.00 H new ATOM 0 HB2 TRP A 13 7.150 0.195 -5.416 1.00 0.00 H new ATOM 0 HB3 TRP A 13 5.668 0.787 -4.692 1.00 0.00 H new ATOM 0 HD1 TRP A 13 8.657 -1.416 -3.957 1.00 0.00 H new ATOM 0 HE1 TRP A 13 8.532 -2.336 -1.543 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.863 -0.019 -2.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.618 -2.427 0.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.950 -0.560 -0.649 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.312 -1.748 1.022 1.00 0.00 H new ATOM 157 N MET A 14 4.717 -3.104 -4.815 1.00 0.00 N ATOM 158 CA MET A 14 3.836 -3.981 -4.054 1.00 0.00 C ATOM 159 C MET A 14 4.621 -4.766 -3.007 1.00 0.00 C ATOM 160 O MET A 14 5.260 -5.769 -3.321 1.00 0.00 O ATOM 161 CB MET A 14 3.108 -4.946 -4.992 1.00 0.00 C ATOM 162 CG MET A 14 2.077 -5.815 -4.290 1.00 0.00 C ATOM 163 SD MET A 14 1.463 -7.148 -5.337 1.00 0.00 S ATOM 164 CE MET A 14 -0.092 -7.523 -4.532 1.00 0.00 C ATOM 0 H MET A 14 5.562 -3.556 -5.165 1.00 0.00 H new ATOM 0 HA MET A 14 3.101 -3.360 -3.541 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.614 -4.373 -5.777 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.841 -5.589 -5.479 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.519 -6.240 -3.389 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.240 -5.194 -3.972 1.00 0.00 H new ATOM 0 HE1 MET A 14 -0.592 -8.331 -5.065 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.096 -7.829 -3.503 1.00 0.00 H new ATOM 0 HE3 MET A 14 -0.727 -6.637 -4.537 1.00 0.00 H new ATOM 174 N GLY A 15 4.568 -4.301 -1.763 1.00 0.00 N ATOM 175 CA GLY A 15 5.279 -4.972 -0.690 1.00 0.00 C ATOM 176 C GLY A 15 4.362 -5.811 0.178 1.00 0.00 C ATOM 177 O GLY A 15 3.285 -6.220 -0.259 1.00 0.00 O ATOM 0 H GLY A 15 4.046 -3.472 -1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.055 -5.609 -1.115 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.781 -4.229 -0.070 1.00 0.00 H new ATOM 181 N ASP A 16 4.788 -6.070 1.409 1.00 0.00 N ATOM 182 CA ASP A 16 3.998 -6.867 2.340 1.00 0.00 C ATOM 183 C ASP A 16 3.558 -8.178 1.695 1.00 0.00 C ATOM 184 O ASP A 16 2.392 -8.565 1.782 1.00 0.00 O ATOM 185 CB ASP A 16 2.774 -6.079 2.808 1.00 0.00 C ATOM 186 CG ASP A 16 3.051 -5.267 4.058 1.00 0.00 C ATOM 187 OD1 ASP A 16 4.217 -4.871 4.262 1.00 0.00 O ATOM 188 OD2 ASP A 16 2.101 -5.028 4.832 1.00 0.00 O ATOM 0 H ASP A 16 5.676 -5.740 1.786 1.00 0.00 H new ATOM 0 HA ASP A 16 4.623 -7.099 3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.448 -5.412 2.010 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.953 -6.770 3.001 1.00 0.00 H new ATOM 193 N LEU A 17 4.498 -8.858 1.049 1.00 0.00 N ATOM 194 CA LEU A 17 4.208 -10.126 0.388 1.00 0.00 C ATOM 195 C LEU A 17 4.781 -11.297 1.181 1.00 0.00 C ATOM 196 O LEU A 17 5.729 -11.134 1.948 1.00 0.00 O ATOM 197 CB LEU A 17 4.781 -10.128 -1.030 1.00 0.00 C ATOM 198 CG LEU A 17 4.549 -8.857 -1.849 1.00 0.00 C ATOM 199 CD1 LEU A 17 5.407 -8.867 -3.105 1.00 0.00 C ATOM 200 CD2 LEU A 17 3.077 -8.716 -2.208 1.00 0.00 C ATOM 0 H LEU A 17 5.468 -8.553 0.969 1.00 0.00 H new ATOM 0 HA LEU A 17 3.125 -10.240 0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.855 -10.304 -0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.351 -10.970 -1.573 1.00 0.00 H new ATOM 0 HG LEU A 17 4.839 -7.999 -1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.228 -7.955 -3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.459 -8.921 -2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.149 -9.733 -3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.930 -7.806 -2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.762 -9.578 -2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.483 -8.662 -1.295 1.00 0.00 H new ATOM 212 N GLU A 18 4.199 -12.476 0.988 1.00 0.00 N ATOM 213 CA GLU A 18 4.653 -13.674 1.685 1.00 0.00 C ATOM 214 C GLU A 18 5.767 -14.368 0.905 1.00 0.00 C ATOM 215 O GLU A 18 5.947 -14.152 -0.293 1.00 0.00 O ATOM 216 CB GLU A 18 3.486 -14.641 1.898 1.00 0.00 C ATOM 217 CG GLU A 18 2.735 -14.411 3.198 1.00 0.00 C ATOM 218 CD GLU A 18 3.580 -14.712 4.421 1.00 0.00 C ATOM 219 OE1 GLU A 18 4.314 -13.809 4.873 1.00 0.00 O ATOM 220 OE2 GLU A 18 3.506 -15.852 4.926 1.00 0.00 O ATOM 0 H GLU A 18 3.413 -12.628 0.356 1.00 0.00 H new ATOM 0 HA GLU A 18 5.046 -13.371 2.656 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.790 -14.546 1.064 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.865 -15.663 1.883 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.398 -13.375 3.240 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.843 -15.038 3.214 1.00 0.00 H new ATOM 227 N PRO A 19 6.532 -15.221 1.601 1.00 0.00 N ATOM 228 CA PRO A 19 7.641 -15.964 0.995 1.00 0.00 C ATOM 229 C PRO A 19 7.159 -17.036 0.024 1.00 0.00 C ATOM 230 O PRO A 19 7.951 -17.613 -0.722 1.00 0.00 O ATOM 231 CB PRO A 19 8.337 -16.607 2.198 1.00 0.00 C ATOM 232 CG PRO A 19 7.275 -16.714 3.237 1.00 0.00 C ATOM 233 CD PRO A 19 6.374 -15.527 3.033 1.00 0.00 C ATOM 0 HA PRO A 19 8.290 -15.317 0.405 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.742 -17.586 1.944 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.171 -15.997 2.546 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.721 -17.647 3.134 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.707 -16.709 4.238 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.339 -15.761 3.282 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.670 -14.685 3.659 1.00 0.00 H new ATOM 241 N TYR A 20 5.857 -17.297 0.037 1.00 0.00 N ATOM 242 CA TYR A 20 5.269 -18.301 -0.842 1.00 0.00 C ATOM 243 C TYR A 20 4.598 -17.646 -2.045 1.00 0.00 C ATOM 244 O TYR A 20 3.898 -18.304 -2.814 1.00 0.00 O ATOM 245 CB TYR A 20 4.253 -19.148 -0.075 1.00 0.00 C ATOM 246 CG TYR A 20 3.133 -18.340 0.541 1.00 0.00 C ATOM 247 CD1 TYR A 20 2.183 -17.712 -0.255 1.00 0.00 C ATOM 248 CD2 TYR A 20 3.024 -18.206 1.920 1.00 0.00 C ATOM 249 CE1 TYR A 20 1.159 -16.972 0.304 1.00 0.00 C ATOM 250 CE2 TYR A 20 2.003 -17.469 2.488 1.00 0.00 C ATOM 251 CZ TYR A 20 1.073 -16.854 1.675 1.00 0.00 C ATOM 252 OH TYR A 20 0.054 -16.119 2.236 1.00 0.00 O ATOM 0 H TYR A 20 5.188 -16.827 0.647 1.00 0.00 H new ATOM 0 HA TYR A 20 6.070 -18.946 -1.203 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.826 -19.889 -0.751 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.770 -19.696 0.713 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.246 -17.804 -1.329 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.750 -18.687 2.559 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.430 -16.489 -0.329 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.933 -17.375 3.562 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.011 -16.326 3.192 1.00 0.00 H new ATOM 262 N MET A 21 4.818 -16.344 -2.201 1.00 0.00 N ATOM 263 CA MET A 21 4.236 -15.599 -3.312 1.00 0.00 C ATOM 264 C MET A 21 5.237 -15.457 -4.454 1.00 0.00 C ATOM 265 O MET A 21 6.390 -15.082 -4.239 1.00 0.00 O ATOM 266 CB MET A 21 3.780 -14.217 -2.842 1.00 0.00 C ATOM 267 CG MET A 21 2.606 -14.259 -1.877 1.00 0.00 C ATOM 268 SD MET A 21 1.808 -12.654 -1.683 1.00 0.00 S ATOM 269 CE MET A 21 0.513 -13.059 -0.513 1.00 0.00 C ATOM 0 H MET A 21 5.394 -15.784 -1.573 1.00 0.00 H new ATOM 0 HA MET A 21 3.372 -16.154 -3.677 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.617 -13.712 -2.361 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.504 -13.620 -3.711 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.874 -14.984 -2.233 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.953 -14.608 -0.904 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.435 -12.652 -0.865 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.432 -14.142 -0.421 1.00 0.00 H new ATOM 0 HE3 MET A 21 0.754 -12.629 0.459 1.00 0.00 H new ATOM 279 N ASP A 22 4.789 -15.758 -5.668 1.00 0.00 N ATOM 280 CA ASP A 22 5.645 -15.663 -6.844 1.00 0.00 C ATOM 281 C ASP A 22 4.925 -14.950 -7.985 1.00 0.00 C ATOM 282 O ASP A 22 3.712 -14.750 -7.935 1.00 0.00 O ATOM 283 CB ASP A 22 6.086 -17.056 -7.295 1.00 0.00 C ATOM 284 CG ASP A 22 6.492 -17.939 -6.131 1.00 0.00 C ATOM 285 OD1 ASP A 22 7.060 -17.409 -5.154 1.00 0.00 O ATOM 286 OD2 ASP A 22 6.240 -19.160 -6.198 1.00 0.00 O ATOM 0 H ASP A 22 3.838 -16.070 -5.863 1.00 0.00 H new ATOM 0 HA ASP A 22 6.526 -15.081 -6.574 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.272 -17.532 -7.842 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.924 -16.963 -7.986 1.00 0.00 H new ATOM 291 N GLU A 23 5.681 -14.569 -9.010 1.00 0.00 N ATOM 292 CA GLU A 23 5.113 -13.877 -10.161 1.00 0.00 C ATOM 293 C GLU A 23 3.701 -14.376 -10.454 1.00 0.00 C ATOM 294 O GLU A 23 2.800 -13.589 -10.737 1.00 0.00 O ATOM 295 CB GLU A 23 6.002 -14.075 -11.391 1.00 0.00 C ATOM 296 CG GLU A 23 7.300 -13.288 -11.337 1.00 0.00 C ATOM 297 CD GLU A 23 8.208 -13.577 -12.517 1.00 0.00 C ATOM 298 OE1 GLU A 23 8.812 -14.670 -12.547 1.00 0.00 O ATOM 299 OE2 GLU A 23 8.313 -12.711 -13.410 1.00 0.00 O ATOM 0 H GLU A 23 6.687 -14.728 -9.067 1.00 0.00 H new ATOM 0 HA GLU A 23 5.062 -12.814 -9.925 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.234 -15.135 -11.494 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.446 -13.782 -12.282 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.073 -12.222 -11.310 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.826 -13.525 -10.412 1.00 0.00 H new ATOM 306 N ASN A 24 3.518 -15.691 -10.384 1.00 0.00 N ATOM 307 CA ASN A 24 2.217 -16.296 -10.643 1.00 0.00 C ATOM 308 C ASN A 24 1.179 -15.806 -9.638 1.00 0.00 C ATOM 309 O ASN A 24 0.129 -15.288 -10.016 1.00 0.00 O ATOM 310 CB ASN A 24 2.320 -17.822 -10.585 1.00 0.00 C ATOM 311 CG ASN A 24 2.680 -18.429 -11.927 1.00 0.00 C ATOM 312 OD1 ASN A 24 3.319 -17.786 -12.760 1.00 0.00 O ATOM 313 ND2 ASN A 24 2.270 -19.674 -12.142 1.00 0.00 N ATOM 0 H ASN A 24 4.254 -16.357 -10.150 1.00 0.00 H new ATOM 0 HA ASN A 24 1.898 -15.998 -11.642 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.072 -18.105 -9.848 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.370 -18.235 -10.246 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.482 -20.135 -13.027 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.743 -20.169 -11.422 1.00 0.00 H new ATOM 320 N PHE A 25 1.482 -15.974 -8.355 1.00 0.00 N ATOM 321 CA PHE A 25 0.576 -15.549 -7.294 1.00 0.00 C ATOM 322 C PHE A 25 0.183 -14.085 -7.468 1.00 0.00 C ATOM 323 O PHE A 25 -0.999 -13.758 -7.584 1.00 0.00 O ATOM 324 CB PHE A 25 1.228 -15.754 -5.925 1.00 0.00 C ATOM 325 CG PHE A 25 0.340 -15.372 -4.775 1.00 0.00 C ATOM 326 CD1 PHE A 25 -0.022 -14.050 -4.572 1.00 0.00 C ATOM 327 CD2 PHE A 25 -0.132 -16.335 -3.898 1.00 0.00 C ATOM 328 CE1 PHE A 25 -0.839 -13.695 -3.515 1.00 0.00 C ATOM 329 CE2 PHE A 25 -0.950 -15.986 -2.839 1.00 0.00 C ATOM 330 CZ PHE A 25 -1.303 -14.665 -2.647 1.00 0.00 C ATOM 0 H PHE A 25 2.347 -16.401 -8.025 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.325 -16.159 -7.355 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.514 -16.801 -5.821 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.145 -15.167 -5.876 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.338 -13.288 -5.247 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.142 -17.370 -4.043 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.114 -12.661 -3.368 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.312 -16.746 -2.163 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.941 -14.390 -1.820 1.00 0.00 H new ATOM 340 N ILE A 26 1.181 -13.208 -7.485 1.00 0.00 N ATOM 341 CA ILE A 26 0.940 -11.780 -7.645 1.00 0.00 C ATOM 342 C ILE A 26 -0.012 -11.510 -8.805 1.00 0.00 C ATOM 343 O ILE A 26 -1.027 -10.833 -8.643 1.00 0.00 O ATOM 344 CB ILE A 26 2.253 -11.011 -7.884 1.00 0.00 C ATOM 345 CG1 ILE A 26 3.222 -11.239 -6.722 1.00 0.00 C ATOM 346 CG2 ILE A 26 1.973 -9.526 -8.063 1.00 0.00 C ATOM 347 CD1 ILE A 26 2.722 -10.695 -5.402 1.00 0.00 C ATOM 0 H ILE A 26 2.164 -13.462 -7.390 1.00 0.00 H new ATOM 0 HA ILE A 26 0.487 -11.430 -6.717 1.00 0.00 H new ATOM 0 HB ILE A 26 2.715 -11.386 -8.797 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.407 -12.308 -6.618 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.178 -10.772 -6.960 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.911 -8.997 -8.231 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.316 -9.380 -8.920 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.492 -9.136 -7.166 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.460 -10.892 -4.624 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.564 -9.620 -5.488 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.781 -11.180 -5.141 1.00 0.00 H new ATOM 359 N SER A 27 0.322 -12.045 -9.975 1.00 0.00 N ATOM 360 CA SER A 27 -0.502 -11.860 -11.164 1.00 0.00 C ATOM 361 C SER A 27 -1.949 -12.257 -10.888 1.00 0.00 C ATOM 362 O SER A 27 -2.883 -11.587 -11.329 1.00 0.00 O ATOM 363 CB SER A 27 0.052 -12.684 -12.328 1.00 0.00 C ATOM 364 OG SER A 27 -0.846 -12.686 -13.424 1.00 0.00 O ATOM 0 H SER A 27 1.158 -12.610 -10.125 1.00 0.00 H new ATOM 0 HA SER A 27 -0.478 -10.804 -11.433 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.013 -12.276 -12.642 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.232 -13.708 -12.000 1.00 0.00 H new ATOM 0 HG SER A 27 -0.468 -13.218 -14.155 1.00 0.00 H new ATOM 370 N ARG A 28 -2.126 -13.352 -10.156 1.00 0.00 N ATOM 371 CA ARG A 28 -3.459 -13.841 -9.822 1.00 0.00 C ATOM 372 C ARG A 28 -4.228 -12.806 -9.006 1.00 0.00 C ATOM 373 O ARG A 28 -5.420 -12.590 -9.225 1.00 0.00 O ATOM 374 CB ARG A 28 -3.363 -15.153 -9.042 1.00 0.00 C ATOM 375 CG ARG A 28 -3.364 -16.389 -9.927 1.00 0.00 C ATOM 376 CD ARG A 28 -3.343 -17.666 -9.101 1.00 0.00 C ATOM 377 NE ARG A 28 -3.405 -18.861 -9.938 1.00 0.00 N ATOM 378 CZ ARG A 28 -3.797 -20.050 -9.494 1.00 0.00 C ATOM 379 NH1 ARG A 28 -4.159 -20.201 -8.227 1.00 0.00 N ATOM 380 NH2 ARG A 28 -3.827 -21.090 -10.317 1.00 0.00 N ATOM 0 H ARG A 28 -1.364 -13.917 -9.783 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.998 -14.019 -10.753 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.451 -15.145 -8.445 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.200 -15.214 -8.346 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.248 -16.381 -10.564 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.496 -16.366 -10.586 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.435 -17.693 -8.498 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.185 -17.664 -8.409 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.132 -18.778 -10.917 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.137 -19.403 -7.592 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.460 -21.115 -7.888 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.549 -20.977 -11.292 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.128 -22.003 -9.975 1.00 0.00 H new ATOM 394 N ALA A 29 -3.539 -12.171 -8.065 1.00 0.00 N ATOM 395 CA ALA A 29 -4.156 -11.158 -7.217 1.00 0.00 C ATOM 396 C ALA A 29 -4.803 -10.061 -8.055 1.00 0.00 C ATOM 397 O ALA A 29 -6.017 -9.863 -8.009 1.00 0.00 O ATOM 398 CB ALA A 29 -3.126 -10.564 -6.269 1.00 0.00 C ATOM 0 H ALA A 29 -2.552 -12.340 -7.870 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.938 -11.639 -6.629 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.601 -9.809 -5.642 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.714 -11.352 -5.639 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.323 -10.104 -6.846 1.00 0.00 H new ATOM 404 N PHE A 30 -3.983 -9.348 -8.821 1.00 0.00 N ATOM 405 CA PHE A 30 -4.475 -8.268 -9.669 1.00 0.00 C ATOM 406 C PHE A 30 -5.598 -8.759 -10.578 1.00 0.00 C ATOM 407 O PHE A 30 -6.680 -8.174 -10.617 1.00 0.00 O ATOM 408 CB PHE A 30 -3.335 -7.693 -10.513 1.00 0.00 C ATOM 409 CG PHE A 30 -2.437 -6.762 -9.751 1.00 0.00 C ATOM 410 CD1 PHE A 30 -1.345 -7.249 -9.051 1.00 0.00 C ATOM 411 CD2 PHE A 30 -2.684 -5.398 -9.734 1.00 0.00 C ATOM 412 CE1 PHE A 30 -0.516 -6.395 -8.349 1.00 0.00 C ATOM 413 CE2 PHE A 30 -1.858 -4.539 -9.035 1.00 0.00 C ATOM 414 CZ PHE A 30 -0.773 -5.038 -8.340 1.00 0.00 C ATOM 0 H PHE A 30 -2.975 -9.499 -8.872 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.870 -7.484 -9.023 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.739 -8.514 -10.912 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.757 -7.161 -11.366 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.139 -8.309 -9.054 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.532 -5.002 -10.273 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.332 -6.788 -7.808 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.060 -3.478 -9.032 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.127 -4.368 -7.791 1.00 0.00 H new ATOM 424 N ALA A 31 -5.332 -9.837 -11.309 1.00 0.00 N ATOM 425 CA ALA A 31 -6.319 -10.408 -12.216 1.00 0.00 C ATOM 426 C ALA A 31 -7.639 -10.666 -11.499 1.00 0.00 C ATOM 427 O ALA A 31 -8.712 -10.366 -12.024 1.00 0.00 O ATOM 428 CB ALA A 31 -5.789 -11.695 -12.830 1.00 0.00 C ATOM 0 H ALA A 31 -4.440 -10.332 -11.290 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.504 -9.687 -13.013 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.537 -12.111 -13.505 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.875 -11.484 -13.386 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.575 -12.414 -12.039 1.00 0.00 H new ATOM 434 N THR A 32 -7.555 -11.225 -10.296 1.00 0.00 N ATOM 435 CA THR A 32 -8.743 -11.526 -9.507 1.00 0.00 C ATOM 436 C THR A 32 -9.534 -10.259 -9.201 1.00 0.00 C ATOM 437 O THR A 32 -10.753 -10.222 -9.366 1.00 0.00 O ATOM 438 CB THR A 32 -8.377 -12.222 -8.183 1.00 0.00 C ATOM 439 OG1 THR A 32 -7.702 -13.456 -8.449 1.00 0.00 O ATOM 440 CG2 THR A 32 -9.622 -12.489 -7.350 1.00 0.00 C ATOM 0 H THR A 32 -6.675 -11.479 -9.846 1.00 0.00 H new ATOM 0 HA THR A 32 -9.357 -12.200 -10.104 1.00 0.00 H new ATOM 0 HB THR A 32 -7.717 -11.561 -7.621 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.906 -13.283 -8.994 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.339 -12.981 -6.420 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.118 -11.545 -7.125 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.302 -13.132 -7.908 1.00 0.00 H new ATOM 448 N MET A 33 -8.833 -9.223 -8.754 1.00 0.00 N ATOM 449 CA MET A 33 -9.471 -7.953 -8.426 1.00 0.00 C ATOM 450 C MET A 33 -10.099 -7.324 -9.665 1.00 0.00 C ATOM 451 O MET A 33 -10.868 -6.369 -9.566 1.00 0.00 O ATOM 452 CB MET A 33 -8.453 -6.990 -7.812 1.00 0.00 C ATOM 453 CG MET A 33 -8.220 -7.218 -6.327 1.00 0.00 C ATOM 454 SD MET A 33 -9.744 -7.148 -5.366 1.00 0.00 S ATOM 455 CE MET A 33 -9.715 -5.445 -4.810 1.00 0.00 C ATOM 0 H MET A 33 -7.823 -9.237 -8.610 1.00 0.00 H new ATOM 0 HA MET A 33 -10.260 -8.149 -7.700 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.505 -7.091 -8.340 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.795 -5.966 -7.965 1.00 0.00 H new ATOM 0 HG2 MET A 33 -7.748 -8.190 -6.182 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.524 -6.467 -5.953 1.00 0.00 H new ATOM 0 HE1 MET A 33 -10.679 -5.189 -4.370 1.00 0.00 H new ATOM 0 HE2 MET A 33 -8.931 -5.319 -4.063 1.00 0.00 H new ATOM 0 HE3 MET A 33 -9.517 -4.789 -5.658 1.00 0.00 H new ATOM 465 N GLY A 34 -9.767 -7.868 -10.833 1.00 0.00 N ATOM 466 CA GLY A 34 -10.308 -7.346 -12.074 1.00 0.00 C ATOM 467 C GLY A 34 -9.360 -6.382 -12.760 1.00 0.00 C ATOM 468 O GLY A 34 -9.786 -5.357 -13.291 1.00 0.00 O ATOM 0 H GLY A 34 -9.134 -8.660 -10.941 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.529 -8.174 -12.747 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.252 -6.840 -11.871 1.00 0.00 H new ATOM 472 N GLU A 35 -8.072 -6.710 -12.746 1.00 0.00 N ATOM 473 CA GLU A 35 -7.062 -5.863 -13.370 1.00 0.00 C ATOM 474 C GLU A 35 -6.134 -6.687 -14.258 1.00 0.00 C ATOM 475 O GLU A 35 -5.806 -7.831 -13.941 1.00 0.00 O ATOM 476 CB GLU A 35 -6.247 -5.133 -12.301 1.00 0.00 C ATOM 477 CG GLU A 35 -6.941 -3.903 -11.741 1.00 0.00 C ATOM 478 CD GLU A 35 -7.229 -2.860 -12.804 1.00 0.00 C ATOM 479 OE1 GLU A 35 -6.389 -2.689 -13.711 1.00 0.00 O ATOM 480 OE2 GLU A 35 -8.297 -2.216 -12.728 1.00 0.00 O ATOM 0 H GLU A 35 -7.703 -7.555 -12.310 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.574 -5.128 -13.992 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.034 -5.823 -11.484 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.288 -4.837 -12.726 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.876 -4.202 -11.268 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.318 -3.461 -10.963 1.00 0.00 H new ATOM 487 N THR A 36 -5.715 -6.097 -15.373 1.00 0.00 N ATOM 488 CA THR A 36 -4.827 -6.775 -16.309 1.00 0.00 C ATOM 489 C THR A 36 -3.380 -6.338 -16.109 1.00 0.00 C ATOM 490 O THR A 36 -2.958 -5.301 -16.622 1.00 0.00 O ATOM 491 CB THR A 36 -5.236 -6.505 -17.769 1.00 0.00 C ATOM 492 OG1 THR A 36 -6.612 -6.851 -17.964 1.00 0.00 O ATOM 493 CG2 THR A 36 -4.366 -7.299 -18.731 1.00 0.00 C ATOM 0 H THR A 36 -5.977 -5.151 -15.650 1.00 0.00 H new ATOM 0 HA THR A 36 -4.912 -7.843 -16.108 1.00 0.00 H new ATOM 0 HB THR A 36 -5.097 -5.443 -17.972 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.865 -6.675 -18.894 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.674 -7.092 -19.756 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.323 -7.011 -18.600 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.477 -8.364 -18.527 1.00 0.00 H new ATOM 501 N VAL A 37 -2.623 -7.135 -15.362 1.00 0.00 N ATOM 502 CA VAL A 37 -1.222 -6.831 -15.096 1.00 0.00 C ATOM 503 C VAL A 37 -0.354 -7.132 -16.313 1.00 0.00 C ATOM 504 O VAL A 37 -0.581 -8.111 -17.023 1.00 0.00 O ATOM 505 CB VAL A 37 -0.693 -7.631 -13.891 1.00 0.00 C ATOM 506 CG1 VAL A 37 -0.474 -9.088 -14.272 1.00 0.00 C ATOM 507 CG2 VAL A 37 0.591 -7.011 -13.363 1.00 0.00 C ATOM 0 H VAL A 37 -2.957 -7.997 -14.930 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.167 -5.767 -14.868 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.439 -7.596 -13.097 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.100 -9.638 -13.408 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.418 -9.524 -14.599 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.253 -9.147 -15.082 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.951 -7.589 -12.512 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.346 -7.014 -14.149 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.398 -5.985 -13.049 1.00 0.00 H new ATOM 517 N MET A 38 0.641 -6.283 -16.547 1.00 0.00 N ATOM 518 CA MET A 38 1.545 -6.459 -17.678 1.00 0.00 C ATOM 519 C MET A 38 2.675 -7.421 -17.326 1.00 0.00 C ATOM 520 O MET A 38 2.919 -8.394 -18.039 1.00 0.00 O ATOM 521 CB MET A 38 2.123 -5.110 -18.111 1.00 0.00 C ATOM 522 CG MET A 38 1.112 -4.208 -18.799 1.00 0.00 C ATOM 523 SD MET A 38 0.443 -4.937 -20.306 1.00 0.00 S ATOM 524 CE MET A 38 -1.315 -4.854 -19.971 1.00 0.00 C ATOM 0 H MET A 38 0.842 -5.467 -15.969 1.00 0.00 H new ATOM 0 HA MET A 38 0.975 -6.884 -18.504 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.519 -4.596 -17.235 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.961 -5.283 -18.786 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.295 -3.993 -18.110 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.585 -3.256 -19.040 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.866 -5.269 -20.815 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.542 -5.427 -19.072 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.608 -3.815 -19.822 1.00 0.00 H new ATOM 534 N SER A 39 3.362 -7.141 -16.222 1.00 0.00 N ATOM 535 CA SER A 39 4.469 -7.980 -15.778 1.00 0.00 C ATOM 536 C SER A 39 4.691 -7.836 -14.276 1.00 0.00 C ATOM 537 O SER A 39 4.200 -6.895 -13.651 1.00 0.00 O ATOM 538 CB SER A 39 5.749 -7.612 -16.532 1.00 0.00 C ATOM 539 OG SER A 39 6.347 -6.450 -15.984 1.00 0.00 O ATOM 0 H SER A 39 3.171 -6.340 -15.620 1.00 0.00 H new ATOM 0 HA SER A 39 4.215 -9.018 -15.992 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.453 -8.443 -16.487 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.520 -7.445 -17.584 1.00 0.00 H new ATOM 0 HG SER A 39 7.164 -6.237 -16.482 1.00 0.00 H new ATOM 545 N VAL A 40 5.434 -8.776 -13.701 1.00 0.00 N ATOM 546 CA VAL A 40 5.722 -8.755 -12.272 1.00 0.00 C ATOM 547 C VAL A 40 7.115 -9.306 -11.984 1.00 0.00 C ATOM 548 O VAL A 40 7.488 -10.369 -12.479 1.00 0.00 O ATOM 549 CB VAL A 40 4.685 -9.572 -11.477 1.00 0.00 C ATOM 550 CG1 VAL A 40 4.405 -10.897 -12.169 1.00 0.00 C ATOM 551 CG2 VAL A 40 5.164 -9.796 -10.051 1.00 0.00 C ATOM 0 H VAL A 40 5.848 -9.562 -14.203 1.00 0.00 H new ATOM 0 HA VAL A 40 5.673 -7.713 -11.955 1.00 0.00 H new ATOM 0 HB VAL A 40 3.754 -9.006 -11.438 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.671 -11.460 -11.593 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.015 -10.710 -13.170 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.328 -11.472 -12.241 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.420 -10.375 -9.504 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.108 -10.341 -10.066 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.308 -8.833 -9.560 1.00 0.00 H new ATOM 561 N LYS A 41 7.879 -8.574 -11.180 1.00 0.00 N ATOM 562 CA LYS A 41 9.231 -8.989 -10.824 1.00 0.00 C ATOM 563 C LYS A 41 9.370 -9.152 -9.314 1.00 0.00 C ATOM 564 O LYS A 41 9.111 -8.219 -8.553 1.00 0.00 O ATOM 565 CB LYS A 41 10.251 -7.967 -11.333 1.00 0.00 C ATOM 566 CG LYS A 41 11.601 -8.574 -11.673 1.00 0.00 C ATOM 567 CD LYS A 41 12.727 -7.573 -11.477 1.00 0.00 C ATOM 568 CE LYS A 41 12.874 -6.656 -12.682 1.00 0.00 C ATOM 569 NZ LYS A 41 13.570 -7.332 -13.812 1.00 0.00 N ATOM 0 H LYS A 41 7.585 -7.691 -10.763 1.00 0.00 H new ATOM 0 HA LYS A 41 9.424 -9.953 -11.295 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.849 -7.475 -12.219 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.389 -7.196 -10.575 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.776 -9.448 -11.046 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.596 -8.919 -12.707 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.534 -6.976 -10.586 1.00 0.00 H new ATOM 0 HD3 LYS A 41 13.663 -8.105 -11.307 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.888 -6.325 -13.009 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.431 -5.764 -12.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.741 -6.646 -14.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.478 -7.715 -13.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.977 -8.108 -14.171 1.00 0.00 H new ATOM 583 N ILE A 42 9.780 -10.342 -8.887 1.00 0.00 N ATOM 584 CA ILE A 42 9.955 -10.625 -7.468 1.00 0.00 C ATOM 585 C ILE A 42 11.388 -10.349 -7.025 1.00 0.00 C ATOM 586 O ILE A 42 12.331 -10.971 -7.516 1.00 0.00 O ATOM 587 CB ILE A 42 9.600 -12.086 -7.137 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.220 -12.438 -7.696 1.00 0.00 C ATOM 589 CG2 ILE A 42 9.642 -12.315 -5.634 1.00 0.00 C ATOM 590 CD1 ILE A 42 7.084 -11.732 -6.989 1.00 0.00 C ATOM 0 H ILE A 42 9.997 -11.125 -9.503 1.00 0.00 H new ATOM 0 HA ILE A 42 9.277 -9.964 -6.929 1.00 0.00 H new ATOM 0 HB ILE A 42 10.338 -12.738 -7.605 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.191 -12.185 -8.756 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.070 -13.515 -7.621 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.389 -13.353 -5.417 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.643 -12.100 -5.261 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.924 -11.656 -5.145 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.136 -12.029 -7.437 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.087 -12.004 -5.934 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.209 -10.654 -7.086 1.00 0.00 H new ATOM 602 N ILE A 43 11.544 -9.414 -6.094 1.00 0.00 N ATOM 603 CA ILE A 43 12.862 -9.058 -5.583 1.00 0.00 C ATOM 604 C ILE A 43 13.343 -10.071 -4.550 1.00 0.00 C ATOM 605 O ILE A 43 12.790 -10.165 -3.454 1.00 0.00 O ATOM 606 CB ILE A 43 12.860 -7.655 -4.948 1.00 0.00 C ATOM 607 CG1 ILE A 43 12.419 -6.608 -5.973 1.00 0.00 C ATOM 608 CG2 ILE A 43 14.238 -7.320 -4.399 1.00 0.00 C ATOM 609 CD1 ILE A 43 13.205 -6.659 -7.264 1.00 0.00 C ATOM 0 H ILE A 43 10.774 -8.889 -5.678 1.00 0.00 H new ATOM 0 HA ILE A 43 13.542 -9.061 -6.435 1.00 0.00 H new ATOM 0 HB ILE A 43 12.150 -7.648 -4.121 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.361 -6.751 -6.195 1.00 0.00 H new ATOM 0 HG13 ILE A 43 12.521 -5.616 -5.534 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.220 -6.325 -3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.515 -8.052 -3.641 1.00 0.00 H new ATOM 0 HG23 ILE A 43 14.967 -7.342 -5.209 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.839 -5.889 -7.944 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.261 -6.486 -7.054 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.083 -7.639 -7.726 1.00 0.00 H new ATOM 621 N ARG A 44 14.377 -10.826 -4.906 1.00 0.00 N ATOM 622 CA ARG A 44 14.933 -11.832 -4.009 1.00 0.00 C ATOM 623 C ARG A 44 16.445 -11.669 -3.879 1.00 0.00 C ATOM 624 O ARG A 44 17.076 -10.981 -4.681 1.00 0.00 O ATOM 625 CB ARG A 44 14.603 -13.237 -4.516 1.00 0.00 C ATOM 626 CG ARG A 44 13.139 -13.424 -4.881 1.00 0.00 C ATOM 627 CD ARG A 44 12.911 -14.737 -5.614 1.00 0.00 C ATOM 628 NE ARG A 44 11.561 -14.830 -6.163 1.00 0.00 N ATOM 629 CZ ARG A 44 11.225 -15.651 -7.152 1.00 0.00 C ATOM 630 NH1 ARG A 44 12.136 -16.446 -7.696 1.00 0.00 N ATOM 631 NH2 ARG A 44 9.976 -15.678 -7.597 1.00 0.00 N ATOM 0 H ARG A 44 14.847 -10.760 -5.809 1.00 0.00 H new ATOM 0 HA ARG A 44 14.484 -11.693 -3.026 1.00 0.00 H new ATOM 0 HB2 ARG A 44 15.217 -13.452 -5.390 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.873 -13.964 -3.750 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.531 -13.401 -3.976 1.00 0.00 H new ATOM 0 HG3 ARG A 44 12.810 -12.595 -5.507 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.638 -14.833 -6.421 1.00 0.00 H new ATOM 0 HD3 ARG A 44 13.082 -15.568 -4.930 1.00 0.00 H new ATOM 0 HE ARG A 44 10.837 -14.232 -5.765 1.00 0.00 H new ATOM 0 HH11 ARG A 44 13.097 -16.428 -7.355 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.876 -17.075 -8.455 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.273 -15.068 -7.180 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.719 -16.309 -8.356 1.00 0.00 H new ATOM 645 N ASN A 45 17.019 -12.306 -2.864 1.00 0.00 N ATOM 646 CA ASN A 45 18.456 -12.230 -2.628 1.00 0.00 C ATOM 647 C ASN A 45 19.212 -13.156 -3.577 1.00 0.00 C ATOM 648 O ASN A 45 18.612 -13.985 -4.261 1.00 0.00 O ATOM 649 CB ASN A 45 18.776 -12.597 -1.178 1.00 0.00 C ATOM 650 CG ASN A 45 20.015 -11.890 -0.663 1.00 0.00 C ATOM 651 OD1 ASN A 45 20.898 -11.518 -1.436 1.00 0.00 O ATOM 652 ND2 ASN A 45 20.086 -11.702 0.650 1.00 0.00 N ATOM 0 H ASN A 45 16.511 -12.881 -2.192 1.00 0.00 H new ATOM 0 HA ASN A 45 18.776 -11.205 -2.815 1.00 0.00 H new ATOM 0 HB2 ASN A 45 17.926 -12.342 -0.545 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.918 -13.675 -1.102 1.00 0.00 H new ATOM 0 HD21 ASN A 45 20.896 -11.233 1.055 1.00 0.00 H new ATOM 0 HD22 ASN A 45 19.330 -12.027 1.253 1.00 0.00 H new ATOM 659 N ARG A 46 20.532 -13.008 -3.612 1.00 0.00 N ATOM 660 CA ARG A 46 21.370 -13.830 -4.477 1.00 0.00 C ATOM 661 C ARG A 46 21.936 -15.022 -3.712 1.00 0.00 C ATOM 662 O ARG A 46 22.168 -16.088 -4.285 1.00 0.00 O ATOM 663 CB ARG A 46 22.512 -12.995 -5.059 1.00 0.00 C ATOM 664 CG ARG A 46 23.422 -12.388 -4.003 1.00 0.00 C ATOM 665 CD ARG A 46 24.037 -11.082 -4.481 1.00 0.00 C ATOM 666 NE ARG A 46 24.868 -10.460 -3.454 1.00 0.00 N ATOM 667 CZ ARG A 46 25.235 -9.183 -3.479 1.00 0.00 C ATOM 668 NH1 ARG A 46 24.844 -8.397 -4.473 1.00 0.00 N ATOM 669 NH2 ARG A 46 25.992 -8.690 -2.507 1.00 0.00 N ATOM 0 H ARG A 46 21.044 -12.327 -3.052 1.00 0.00 H new ATOM 0 HA ARG A 46 20.751 -14.204 -5.292 1.00 0.00 H new ATOM 0 HB2 ARG A 46 23.107 -13.622 -5.723 1.00 0.00 H new ATOM 0 HB3 ARG A 46 22.092 -12.195 -5.668 1.00 0.00 H new ATOM 0 HG2 ARG A 46 22.854 -12.211 -3.090 1.00 0.00 H new ATOM 0 HG3 ARG A 46 24.214 -13.094 -3.754 1.00 0.00 H new ATOM 0 HD2 ARG A 46 24.639 -11.269 -5.370 1.00 0.00 H new ATOM 0 HD3 ARG A 46 23.244 -10.393 -4.772 1.00 0.00 H new ATOM 0 HE ARG A 46 25.184 -11.037 -2.675 1.00 0.00 H new ATOM 0 HH11 ARG A 46 24.260 -8.772 -5.221 1.00 0.00 H new ATOM 0 HH12 ARG A 46 25.127 -7.417 -4.490 1.00 0.00 H new ATOM 0 HH21 ARG A 46 26.293 -9.291 -1.740 1.00 0.00 H new ATOM 0 HH22 ARG A 46 26.273 -7.710 -2.527 1.00 0.00 H new ATOM 683 N LEU A 47 22.157 -14.836 -2.415 1.00 0.00 N ATOM 684 CA LEU A 47 22.697 -15.896 -1.571 1.00 0.00 C ATOM 685 C LEU A 47 21.575 -16.683 -0.901 1.00 0.00 C ATOM 686 O LEU A 47 21.556 -17.914 -0.938 1.00 0.00 O ATOM 687 CB LEU A 47 23.626 -15.306 -0.509 1.00 0.00 C ATOM 688 CG LEU A 47 25.109 -15.245 -0.874 1.00 0.00 C ATOM 689 CD1 LEU A 47 25.657 -16.643 -1.116 1.00 0.00 C ATOM 690 CD2 LEU A 47 25.322 -14.367 -2.098 1.00 0.00 C ATOM 0 H LEU A 47 21.970 -13.961 -1.925 1.00 0.00 H new ATOM 0 HA LEU A 47 23.266 -16.577 -2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 47 23.287 -14.296 -0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.521 -15.893 0.404 1.00 0.00 H new ATOM 0 HG LEU A 47 25.651 -14.804 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.714 -16.580 -1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 47 25.540 -17.241 -0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 47 25.111 -17.111 -1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 47 26.384 -14.335 -2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 47 24.767 -14.778 -2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 47 24.968 -13.358 -1.888 1.00 0.00 H new ATOM 702 N THR A 48 20.638 -15.964 -0.290 1.00 0.00 N ATOM 703 CA THR A 48 19.511 -16.594 0.387 1.00 0.00 C ATOM 704 C THR A 48 18.387 -16.908 -0.593 1.00 0.00 C ATOM 705 O THR A 48 17.538 -17.758 -0.328 1.00 0.00 O ATOM 706 CB THR A 48 18.961 -15.699 1.514 1.00 0.00 C ATOM 707 OG1 THR A 48 18.592 -14.420 0.987 1.00 0.00 O ATOM 708 CG2 THR A 48 19.994 -15.521 2.616 1.00 0.00 C ATOM 0 H THR A 48 20.638 -14.945 -0.250 1.00 0.00 H new ATOM 0 HA THR A 48 19.881 -17.523 0.820 1.00 0.00 H new ATOM 0 HB THR A 48 18.082 -16.184 1.938 1.00 0.00 H new ATOM 0 HG1 THR A 48 18.242 -13.857 1.709 1.00 0.00 H new ATOM 0 HG21 THR A 48 19.583 -14.886 3.401 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.251 -16.494 3.035 1.00 0.00 H new ATOM 0 HG23 THR A 48 20.889 -15.056 2.204 1.00 0.00 H new ATOM 716 N GLY A 49 18.386 -16.215 -1.728 1.00 0.00 N ATOM 717 CA GLY A 49 17.360 -16.435 -2.731 1.00 0.00 C ATOM 718 C GLY A 49 15.964 -16.188 -2.195 1.00 0.00 C ATOM 719 O GLY A 49 14.976 -16.598 -2.806 1.00 0.00 O ATOM 0 H GLY A 49 19.077 -15.505 -1.971 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.541 -15.778 -3.582 1.00 0.00 H new ATOM 0 HA3 GLY A 49 17.429 -17.459 -3.099 1.00 0.00 H new ATOM 723 N ILE A 50 15.880 -15.518 -1.051 1.00 0.00 N ATOM 724 CA ILE A 50 14.594 -15.218 -0.434 1.00 0.00 C ATOM 725 C ILE A 50 14.073 -13.857 -0.882 1.00 0.00 C ATOM 726 O ILE A 50 14.817 -12.880 -0.975 1.00 0.00 O ATOM 727 CB ILE A 50 14.689 -15.238 1.104 1.00 0.00 C ATOM 728 CG1 ILE A 50 15.194 -16.599 1.588 1.00 0.00 C ATOM 729 CG2 ILE A 50 13.337 -14.917 1.722 1.00 0.00 C ATOM 730 CD1 ILE A 50 15.408 -16.666 3.084 1.00 0.00 C ATOM 0 H ILE A 50 16.687 -15.172 -0.532 1.00 0.00 H new ATOM 0 HA ILE A 50 13.900 -15.994 -0.757 1.00 0.00 H new ATOM 0 HB ILE A 50 15.401 -14.475 1.420 1.00 0.00 H new ATOM 0 HG12 ILE A 50 14.478 -17.368 1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 50 16.133 -16.830 1.084 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.420 -14.935 2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.015 -13.927 1.399 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.605 -15.659 1.402 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.766 -17.659 3.356 1.00 0.00 H new ATOM 0 HD12 ILE A 50 16.146 -15.920 3.380 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.466 -16.467 3.596 1.00 0.00 H new ATOM 742 N PRO A 51 12.764 -13.789 -1.166 1.00 0.00 N ATOM 743 CA PRO A 51 12.114 -12.551 -1.607 1.00 0.00 C ATOM 744 C PRO A 51 12.026 -11.513 -0.494 1.00 0.00 C ATOM 745 O PRO A 51 11.363 -11.731 0.519 1.00 0.00 O ATOM 746 CB PRO A 51 10.713 -13.014 -2.018 1.00 0.00 C ATOM 747 CG PRO A 51 10.476 -14.253 -1.225 1.00 0.00 C ATOM 748 CD PRO A 51 11.819 -14.914 -1.078 1.00 0.00 C ATOM 0 HA PRO A 51 12.669 -12.062 -2.407 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.964 -12.253 -1.797 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.660 -13.213 -3.088 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.049 -14.017 -0.251 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.770 -14.911 -1.731 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.907 -15.439 -0.127 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.994 -15.648 -1.864 1.00 0.00 H new ATOM 756 N ALA A 52 12.700 -10.385 -0.689 1.00 0.00 N ATOM 757 CA ALA A 52 12.696 -9.312 0.298 1.00 0.00 C ATOM 758 C ALA A 52 11.305 -9.118 0.893 1.00 0.00 C ATOM 759 O ALA A 52 11.163 -8.679 2.033 1.00 0.00 O ATOM 760 CB ALA A 52 13.189 -8.016 -0.329 1.00 0.00 C ATOM 0 H ALA A 52 13.256 -10.190 -1.522 1.00 0.00 H new ATOM 0 HA ALA A 52 13.372 -9.593 1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.181 -7.224 0.419 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.205 -8.154 -0.700 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.535 -7.740 -1.156 1.00 0.00 H new ATOM 766 N GLY A 53 10.281 -9.449 0.111 1.00 0.00 N ATOM 767 CA GLY A 53 8.915 -9.304 0.579 1.00 0.00 C ATOM 768 C GLY A 53 8.119 -8.319 -0.255 1.00 0.00 C ATOM 769 O GLY A 53 7.029 -7.902 0.137 1.00 0.00 O ATOM 0 H GLY A 53 10.373 -9.814 -0.837 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.422 -10.276 0.558 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.923 -8.973 1.618 1.00 0.00 H new ATOM 773 N TYR A 54 8.664 -7.946 -1.407 1.00 0.00 N ATOM 774 CA TYR A 54 7.999 -7.001 -2.297 1.00 0.00 C ATOM 775 C TYR A 54 8.294 -7.328 -3.758 1.00 0.00 C ATOM 776 O TYR A 54 9.293 -7.977 -4.071 1.00 0.00 O ATOM 777 CB TYR A 54 8.445 -5.572 -1.982 1.00 0.00 C ATOM 778 CG TYR A 54 9.874 -5.282 -2.384 1.00 0.00 C ATOM 779 CD1 TYR A 54 10.938 -5.725 -1.607 1.00 0.00 C ATOM 780 CD2 TYR A 54 10.160 -4.564 -3.538 1.00 0.00 C ATOM 781 CE1 TYR A 54 12.245 -5.461 -1.969 1.00 0.00 C ATOM 782 CE2 TYR A 54 11.464 -4.297 -3.909 1.00 0.00 C ATOM 783 CZ TYR A 54 12.503 -4.748 -3.121 1.00 0.00 C ATOM 784 OH TYR A 54 13.803 -4.483 -3.486 1.00 0.00 O ATOM 0 H TYR A 54 9.565 -8.283 -1.747 1.00 0.00 H new ATOM 0 HA TYR A 54 6.924 -7.083 -2.136 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.783 -4.873 -2.493 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.334 -5.393 -0.913 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.740 -6.285 -0.705 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.349 -4.208 -4.156 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.060 -5.811 -1.353 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.669 -3.739 -4.810 1.00 0.00 H new ATOM 0 HH TYR A 54 13.810 -3.972 -4.322 1.00 0.00 H new ATOM 794 N CYS A 55 7.418 -6.874 -4.647 1.00 0.00 N ATOM 795 CA CYS A 55 7.582 -7.117 -6.076 1.00 0.00 C ATOM 796 C CYS A 55 7.075 -5.932 -6.891 1.00 0.00 C ATOM 797 O CYS A 55 6.157 -5.226 -6.474 1.00 0.00 O ATOM 798 CB CYS A 55 6.840 -8.390 -6.486 1.00 0.00 C ATOM 799 SG CYS A 55 5.039 -8.242 -6.436 1.00 0.00 S ATOM 0 H CYS A 55 6.587 -6.335 -4.404 1.00 0.00 H new ATOM 0 HA CYS A 55 8.645 -7.244 -6.278 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.143 -8.665 -7.496 1.00 0.00 H new ATOM 0 HB3 CYS A 55 7.146 -9.204 -5.828 1.00 0.00 H new ATOM 0 HG CYS A 55 4.624 -7.632 -7.506 1.00 0.00 H new ATOM 805 N PHE A 56 7.680 -5.720 -8.055 1.00 0.00 N ATOM 806 CA PHE A 56 7.291 -4.618 -8.928 1.00 0.00 C ATOM 807 C PHE A 56 6.319 -5.094 -10.004 1.00 0.00 C ATOM 808 O PHE A 56 6.440 -6.206 -10.518 1.00 0.00 O ATOM 809 CB PHE A 56 8.527 -3.997 -9.581 1.00 0.00 C ATOM 810 CG PHE A 56 9.394 -3.236 -8.620 1.00 0.00 C ATOM 811 CD1 PHE A 56 8.992 -2.004 -8.129 1.00 0.00 C ATOM 812 CD2 PHE A 56 10.612 -3.752 -8.208 1.00 0.00 C ATOM 813 CE1 PHE A 56 9.788 -1.302 -7.243 1.00 0.00 C ATOM 814 CE2 PHE A 56 11.412 -3.054 -7.322 1.00 0.00 C ATOM 815 CZ PHE A 56 11.000 -1.827 -6.840 1.00 0.00 C ATOM 0 H PHE A 56 8.441 -6.296 -8.416 1.00 0.00 H new ATOM 0 HA PHE A 56 6.792 -3.864 -8.320 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.118 -4.786 -10.045 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.208 -3.327 -10.379 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.046 -1.587 -8.442 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.940 -4.710 -8.583 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.462 -0.344 -6.866 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.358 -3.468 -7.007 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.624 -1.279 -6.150 1.00 0.00 H new ATOM 825 N VAL A 57 5.353 -4.244 -10.339 1.00 0.00 N ATOM 826 CA VAL A 57 4.360 -4.576 -11.353 1.00 0.00 C ATOM 827 C VAL A 57 4.331 -3.526 -12.458 1.00 0.00 C ATOM 828 O VAL A 57 4.306 -2.326 -12.187 1.00 0.00 O ATOM 829 CB VAL A 57 2.952 -4.699 -10.740 1.00 0.00 C ATOM 830 CG1 VAL A 57 2.666 -6.139 -10.343 1.00 0.00 C ATOM 831 CG2 VAL A 57 2.808 -3.769 -9.545 1.00 0.00 C ATOM 0 H VAL A 57 5.237 -3.320 -9.922 1.00 0.00 H new ATOM 0 HA VAL A 57 4.649 -5.538 -11.777 1.00 0.00 H new ATOM 0 HB VAL A 57 2.220 -4.403 -11.492 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.667 -6.206 -9.912 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.725 -6.778 -11.224 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.401 -6.467 -9.608 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.807 -3.869 -9.125 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.547 -4.032 -8.788 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.966 -2.739 -9.865 1.00 0.00 H new ATOM 841 N GLU A 58 4.334 -3.988 -13.705 1.00 0.00 N ATOM 842 CA GLU A 58 4.308 -3.088 -14.852 1.00 0.00 C ATOM 843 C GLU A 58 2.892 -2.950 -15.404 1.00 0.00 C ATOM 844 O GLU A 58 2.056 -3.836 -15.226 1.00 0.00 O ATOM 845 CB GLU A 58 5.248 -3.595 -15.948 1.00 0.00 C ATOM 846 CG GLU A 58 5.691 -2.514 -16.919 1.00 0.00 C ATOM 847 CD GLU A 58 7.059 -2.787 -17.512 1.00 0.00 C ATOM 848 OE1 GLU A 58 7.849 -3.512 -16.871 1.00 0.00 O ATOM 849 OE2 GLU A 58 7.341 -2.276 -18.616 1.00 0.00 O ATOM 0 H GLU A 58 4.354 -4.979 -13.946 1.00 0.00 H new ATOM 0 HA GLU A 58 4.646 -2.107 -14.519 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.129 -4.037 -15.483 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.749 -4.389 -16.504 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.960 -2.432 -17.724 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.707 -1.553 -16.404 1.00 0.00 H new ATOM 856 N PHE A 59 2.631 -1.834 -16.076 1.00 0.00 N ATOM 857 CA PHE A 59 1.317 -1.578 -16.653 1.00 0.00 C ATOM 858 C PHE A 59 1.441 -0.831 -17.978 1.00 0.00 C ATOM 859 O PHE A 59 2.540 -0.476 -18.402 1.00 0.00 O ATOM 860 CB PHE A 59 0.456 -0.772 -15.679 1.00 0.00 C ATOM 861 CG PHE A 59 -0.019 -1.569 -14.497 1.00 0.00 C ATOM 862 CD1 PHE A 59 -1.170 -2.336 -14.580 1.00 0.00 C ATOM 863 CD2 PHE A 59 0.686 -1.552 -13.305 1.00 0.00 C ATOM 864 CE1 PHE A 59 -1.610 -3.070 -13.495 1.00 0.00 C ATOM 865 CE2 PHE A 59 0.251 -2.284 -12.216 1.00 0.00 C ATOM 866 CZ PHE A 59 -0.898 -3.045 -12.311 1.00 0.00 C ATOM 0 H PHE A 59 3.313 -1.092 -16.234 1.00 0.00 H new ATOM 0 HA PHE A 59 0.837 -2.539 -16.841 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.029 0.084 -15.323 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.409 -0.377 -16.212 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.730 -2.360 -15.503 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.586 -0.960 -13.225 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.510 -3.663 -13.572 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.809 -2.261 -11.292 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.239 -3.619 -11.462 1.00 0.00 H new ATOM 876 N ALA A 60 0.305 -0.598 -18.627 1.00 0.00 N ATOM 877 CA ALA A 60 0.285 0.108 -19.902 1.00 0.00 C ATOM 878 C ALA A 60 0.969 1.466 -19.789 1.00 0.00 C ATOM 879 O ALA A 60 1.898 1.768 -20.539 1.00 0.00 O ATOM 880 CB ALA A 60 -1.146 0.275 -20.391 1.00 0.00 C ATOM 0 H ALA A 60 -0.613 -0.888 -18.291 1.00 0.00 H new ATOM 0 HA ALA A 60 0.838 -0.489 -20.627 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.145 0.804 -21.344 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.603 -0.706 -20.521 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.716 0.847 -19.659 1.00 0.00 H new ATOM 886 N ASP A 61 0.504 2.281 -18.849 1.00 0.00 N ATOM 887 CA ASP A 61 1.072 3.607 -18.638 1.00 0.00 C ATOM 888 C ASP A 61 0.798 4.096 -17.219 1.00 0.00 C ATOM 889 O ASP A 61 0.006 3.500 -16.487 1.00 0.00 O ATOM 890 CB ASP A 61 0.498 4.598 -19.652 1.00 0.00 C ATOM 891 CG ASP A 61 0.526 4.059 -21.068 1.00 0.00 C ATOM 892 OD1 ASP A 61 1.585 4.161 -21.722 1.00 0.00 O ATOM 893 OD2 ASP A 61 -0.512 3.533 -21.523 1.00 0.00 O ATOM 0 H ASP A 61 -0.265 2.047 -18.221 1.00 0.00 H new ATOM 0 HA ASP A 61 2.151 3.540 -18.778 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.529 4.839 -19.378 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.066 5.527 -19.609 1.00 0.00 H new ATOM 898 N LEU A 62 1.457 5.184 -16.836 1.00 0.00 N ATOM 899 CA LEU A 62 1.285 5.753 -15.503 1.00 0.00 C ATOM 900 C LEU A 62 -0.192 5.962 -15.187 1.00 0.00 C ATOM 901 O LEU A 62 -0.669 5.576 -14.121 1.00 0.00 O ATOM 902 CB LEU A 62 2.035 7.082 -15.395 1.00 0.00 C ATOM 903 CG LEU A 62 1.962 7.785 -14.039 1.00 0.00 C ATOM 904 CD1 LEU A 62 2.760 7.018 -12.996 1.00 0.00 C ATOM 905 CD2 LEU A 62 2.466 9.216 -14.152 1.00 0.00 C ATOM 0 H LEU A 62 2.115 5.690 -17.429 1.00 0.00 H new ATOM 0 HA LEU A 62 1.696 5.050 -14.778 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.084 6.905 -15.634 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.645 7.759 -16.155 1.00 0.00 H new ATOM 0 HG LEU A 62 0.920 7.812 -13.722 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.696 7.533 -12.038 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.354 6.012 -12.895 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.803 6.958 -13.307 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.407 9.701 -13.177 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.501 9.211 -14.492 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.851 9.763 -14.867 1.00 0.00 H new ATOM 917 N ALA A 63 -0.911 6.575 -16.122 1.00 0.00 N ATOM 918 CA ALA A 63 -2.335 6.832 -15.945 1.00 0.00 C ATOM 919 C ALA A 63 -3.047 5.607 -15.380 1.00 0.00 C ATOM 920 O ALA A 63 -3.589 5.645 -14.275 1.00 0.00 O ATOM 921 CB ALA A 63 -2.964 7.249 -17.265 1.00 0.00 C ATOM 0 H ALA A 63 -0.530 6.903 -17.010 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.446 7.647 -15.230 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.027 7.438 -17.118 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.481 8.157 -17.627 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.835 6.452 -17.997 1.00 0.00 H new ATOM 927 N THR A 64 -3.044 4.521 -16.147 1.00 0.00 N ATOM 928 CA THR A 64 -3.692 3.285 -15.724 1.00 0.00 C ATOM 929 C THR A 64 -3.156 2.817 -14.376 1.00 0.00 C ATOM 930 O THR A 64 -3.912 2.346 -13.527 1.00 0.00 O ATOM 931 CB THR A 64 -3.493 2.164 -16.761 1.00 0.00 C ATOM 932 OG1 THR A 64 -4.066 2.549 -18.015 1.00 0.00 O ATOM 933 CG2 THR A 64 -4.129 0.867 -16.283 1.00 0.00 C ATOM 0 H THR A 64 -2.600 4.472 -17.064 1.00 0.00 H new ATOM 0 HA THR A 64 -4.757 3.501 -15.633 1.00 0.00 H new ATOM 0 HB THR A 64 -2.423 2.001 -16.887 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.934 1.831 -18.669 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.976 0.089 -17.031 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.670 0.561 -15.343 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.198 1.020 -16.132 1.00 0.00 H new ATOM 941 N ALA A 65 -1.847 2.950 -14.186 1.00 0.00 N ATOM 942 CA ALA A 65 -1.211 2.543 -12.940 1.00 0.00 C ATOM 943 C ALA A 65 -1.876 3.210 -11.740 1.00 0.00 C ATOM 944 O ALA A 65 -2.133 2.565 -10.724 1.00 0.00 O ATOM 945 CB ALA A 65 0.274 2.872 -12.973 1.00 0.00 C ATOM 0 H ALA A 65 -1.207 3.337 -14.880 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.331 1.465 -12.836 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.736 2.562 -12.036 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.745 2.344 -13.802 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.406 3.946 -13.105 1.00 0.00 H new ATOM 951 N GLU A 66 -2.151 4.504 -11.866 1.00 0.00 N ATOM 952 CA GLU A 66 -2.785 5.257 -10.790 1.00 0.00 C ATOM 953 C GLU A 66 -4.129 4.641 -10.413 1.00 0.00 C ATOM 954 O GLU A 66 -4.294 4.105 -9.316 1.00 0.00 O ATOM 955 CB GLU A 66 -2.980 6.717 -11.206 1.00 0.00 C ATOM 956 CG GLU A 66 -1.798 7.609 -10.867 1.00 0.00 C ATOM 957 CD GLU A 66 -1.710 8.827 -11.767 1.00 0.00 C ATOM 958 OE1 GLU A 66 -1.290 8.672 -12.934 1.00 0.00 O ATOM 959 OE2 GLU A 66 -2.059 9.933 -11.306 1.00 0.00 O ATOM 0 H GLU A 66 -1.945 5.052 -12.701 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.130 5.218 -9.919 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.160 6.759 -12.280 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.872 7.109 -10.718 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.878 7.933 -9.829 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.877 7.033 -10.951 1.00 0.00 H new ATOM 966 N LYS A 67 -5.088 4.721 -11.329 1.00 0.00 N ATOM 967 CA LYS A 67 -6.418 4.171 -11.094 1.00 0.00 C ATOM 968 C LYS A 67 -6.334 2.717 -10.641 1.00 0.00 C ATOM 969 O LYS A 67 -7.124 2.270 -9.809 1.00 0.00 O ATOM 970 CB LYS A 67 -7.265 4.272 -12.365 1.00 0.00 C ATOM 971 CG LYS A 67 -7.644 5.696 -12.732 1.00 0.00 C ATOM 972 CD LYS A 67 -6.604 6.334 -13.639 1.00 0.00 C ATOM 973 CE LYS A 67 -7.158 7.564 -14.343 1.00 0.00 C ATOM 974 NZ LYS A 67 -7.162 8.757 -13.452 1.00 0.00 N ATOM 0 H LYS A 67 -4.969 5.161 -12.241 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.890 4.753 -10.302 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.715 3.826 -13.194 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.174 3.685 -12.233 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.613 5.699 -13.230 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.751 6.290 -11.825 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.729 6.613 -13.052 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.272 5.608 -14.381 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.561 7.775 -15.230 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.173 7.361 -14.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.546 9.574 -13.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.753 8.565 -12.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.190 8.966 -13.147 1.00 0.00 H new ATOM 988 N CYS A 68 -5.371 1.986 -11.191 1.00 0.00 N ATOM 989 CA CYS A 68 -5.183 0.582 -10.842 1.00 0.00 C ATOM 990 C CYS A 68 -4.569 0.445 -9.453 1.00 0.00 C ATOM 991 O CYS A 68 -4.661 -0.610 -8.823 1.00 0.00 O ATOM 992 CB CYS A 68 -4.293 -0.107 -11.877 1.00 0.00 C ATOM 993 SG CYS A 68 -4.422 -1.911 -11.877 1.00 0.00 S ATOM 0 H CYS A 68 -4.708 2.342 -11.880 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.161 0.100 -10.836 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.552 0.265 -12.868 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.256 0.172 -11.692 1.00 0.00 H new ATOM 0 HG CYS A 68 -4.915 -2.311 -13.012 1.00 0.00 H new ATOM 999 N LEU A 69 -3.942 1.516 -8.981 1.00 0.00 N ATOM 1000 CA LEU A 69 -3.310 1.515 -7.666 1.00 0.00 C ATOM 1001 C LEU A 69 -4.260 2.061 -6.605 1.00 0.00 C ATOM 1002 O LEU A 69 -4.165 1.708 -5.429 1.00 0.00 O ATOM 1003 CB LEU A 69 -2.027 2.347 -7.694 1.00 0.00 C ATOM 1004 CG LEU A 69 -1.650 3.044 -6.386 1.00 0.00 C ATOM 1005 CD1 LEU A 69 -0.995 2.062 -5.427 1.00 0.00 C ATOM 1006 CD2 LEU A 69 -0.727 4.224 -6.657 1.00 0.00 C ATOM 0 H LEU A 69 -3.857 2.397 -9.489 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.062 0.485 -7.410 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.203 1.697 -7.987 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.126 3.105 -8.471 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.561 3.420 -5.922 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.734 2.576 -4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.689 1.250 -5.208 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.093 1.655 -5.883 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.469 4.708 -5.715 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.182 3.871 -7.144 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.232 4.939 -7.306 1.00 0.00 H new ATOM 1018 N HIS A 70 -5.179 2.924 -7.028 1.00 0.00 N ATOM 1019 CA HIS A 70 -6.149 3.517 -6.115 1.00 0.00 C ATOM 1020 C HIS A 70 -7.390 2.637 -5.993 1.00 0.00 C ATOM 1021 O HIS A 70 -8.215 2.828 -5.100 1.00 0.00 O ATOM 1022 CB HIS A 70 -6.546 4.914 -6.595 1.00 0.00 C ATOM 1023 CG HIS A 70 -5.482 5.945 -6.378 1.00 0.00 C ATOM 1024 ND1 HIS A 70 -5.633 7.013 -5.519 1.00 0.00 N ATOM 1025 CD2 HIS A 70 -4.245 6.068 -6.914 1.00 0.00 C ATOM 1026 CE1 HIS A 70 -4.535 7.749 -5.537 1.00 0.00 C ATOM 1027 NE2 HIS A 70 -3.678 7.196 -6.376 1.00 0.00 N ATOM 0 H HIS A 70 -5.272 3.228 -7.997 1.00 0.00 H new ATOM 0 HA HIS A 70 -5.684 3.597 -5.133 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.787 4.870 -7.657 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.453 5.224 -6.075 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -3.789 5.402 -7.632 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.367 8.649 -4.964 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -2.746 7.550 -6.590 1.00 0.00 H new ATOM 1035 N LYS A 71 -7.516 1.672 -6.899 1.00 0.00 N ATOM 1036 CA LYS A 71 -8.655 0.762 -6.894 1.00 0.00 C ATOM 1037 C LYS A 71 -8.406 -0.416 -5.957 1.00 0.00 C ATOM 1038 O LYS A 71 -9.340 -1.113 -5.559 1.00 0.00 O ATOM 1039 CB LYS A 71 -8.931 0.251 -8.309 1.00 0.00 C ATOM 1040 CG LYS A 71 -7.788 -0.558 -8.899 1.00 0.00 C ATOM 1041 CD LYS A 71 -7.910 -2.031 -8.549 1.00 0.00 C ATOM 1042 CE LYS A 71 -8.954 -2.724 -9.410 1.00 0.00 C ATOM 1043 NZ LYS A 71 -10.314 -2.638 -8.810 1.00 0.00 N ATOM 0 H LYS A 71 -6.843 1.501 -7.646 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.526 1.311 -6.536 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.831 -0.364 -8.295 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.137 1.101 -8.959 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.779 -0.440 -9.983 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.838 -0.172 -8.528 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.945 -2.519 -8.683 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.177 -2.135 -7.497 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.965 -2.272 -10.402 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.680 -3.771 -9.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.790 -3.559 -8.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.235 -2.381 -7.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.869 -1.914 -9.310 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.142 -0.631 -5.607 1.00 0.00 N ATOM 1058 CA ILE A 72 -6.772 -1.722 -4.714 1.00 0.00 C ATOM 1059 C ILE A 72 -6.028 -1.202 -3.489 1.00 0.00 C ATOM 1060 O ILE A 72 -5.914 -1.896 -2.479 1.00 0.00 O ATOM 1061 CB ILE A 72 -5.892 -2.763 -5.432 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -5.071 -2.094 -6.536 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -6.753 -3.878 -6.006 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -4.363 -3.076 -7.442 1.00 0.00 C ATOM 0 H ILE A 72 -6.357 -0.064 -5.928 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.700 -2.199 -4.397 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.204 -3.198 -4.707 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.729 -1.467 -7.137 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.332 -1.435 -6.080 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.117 -4.606 -6.510 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.298 -4.369 -5.200 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.462 -3.459 -6.720 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.801 -2.531 -8.200 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.679 -3.687 -6.853 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.098 -3.719 -7.927 1.00 0.00 H new ATOM 1076 N ASN A 73 -5.525 0.024 -3.585 1.00 0.00 N ATOM 1077 CA ASN A 73 -4.793 0.639 -2.483 1.00 0.00 C ATOM 1078 C ASN A 73 -5.648 0.686 -1.221 1.00 0.00 C ATOM 1079 O ASN A 73 -6.386 1.644 -0.993 1.00 0.00 O ATOM 1080 CB ASN A 73 -4.348 2.052 -2.865 1.00 0.00 C ATOM 1081 CG ASN A 73 -4.159 2.945 -1.654 1.00 0.00 C ATOM 1082 OD1 ASN A 73 -5.064 3.685 -1.267 1.00 0.00 O ATOM 1083 ND2 ASN A 73 -2.979 2.879 -1.049 1.00 0.00 N ATOM 0 H ASN A 73 -5.611 0.612 -4.414 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.912 0.030 -2.280 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.413 1.997 -3.422 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.089 2.497 -3.529 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.793 3.456 -0.229 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.258 2.251 -1.405 1.00 0.00 H new ATOM 1090 N GLY A 74 -5.543 -0.356 -0.402 1.00 0.00 N ATOM 1091 CA GLY A 74 -6.312 -0.414 0.828 1.00 0.00 C ATOM 1092 C GLY A 74 -7.300 -1.564 0.840 1.00 0.00 C ATOM 1093 O GLY A 74 -7.772 -1.975 1.900 1.00 0.00 O ATOM 0 H GLY A 74 -4.939 -1.161 -0.568 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.632 -0.514 1.674 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.850 0.525 0.961 1.00 0.00 H new ATOM 1097 N LYS A 75 -7.616 -2.083 -0.341 1.00 0.00 N ATOM 1098 CA LYS A 75 -8.555 -3.192 -0.463 1.00 0.00 C ATOM 1099 C LYS A 75 -7.899 -4.508 -0.059 1.00 0.00 C ATOM 1100 O LYS A 75 -6.675 -4.646 -0.064 1.00 0.00 O ATOM 1101 CB LYS A 75 -9.076 -3.289 -1.899 1.00 0.00 C ATOM 1102 CG LYS A 75 -10.197 -2.312 -2.207 1.00 0.00 C ATOM 1103 CD LYS A 75 -11.496 -2.722 -1.534 1.00 0.00 C ATOM 1104 CE LYS A 75 -12.239 -3.770 -2.349 1.00 0.00 C ATOM 1105 NZ LYS A 75 -13.679 -3.842 -1.978 1.00 0.00 N ATOM 0 H LYS A 75 -7.236 -1.753 -1.228 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.392 -3.003 0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.251 -3.111 -2.589 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.430 -4.304 -2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.913 -1.314 -1.873 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.347 -2.257 -3.285 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.284 -3.116 -0.540 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.131 -1.846 -1.401 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.148 -3.536 -3.410 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.775 -4.745 -2.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.150 -4.567 -2.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.766 -4.090 -0.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.128 -2.919 -2.147 1.00 0.00 H new ATOM 1119 N PRO A 76 -8.729 -5.498 0.299 1.00 0.00 N ATOM 1120 CA PRO A 76 -8.251 -6.822 0.711 1.00 0.00 C ATOM 1121 C PRO A 76 -7.654 -7.610 -0.450 1.00 0.00 C ATOM 1122 O PRO A 76 -8.109 -7.498 -1.589 1.00 0.00 O ATOM 1123 CB PRO A 76 -9.516 -7.510 1.230 1.00 0.00 C ATOM 1124 CG PRO A 76 -10.635 -6.829 0.521 1.00 0.00 C ATOM 1125 CD PRO A 76 -10.198 -5.403 0.329 1.00 0.00 C ATOM 0 HA PRO A 76 -7.452 -6.755 1.449 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.503 -8.578 1.014 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.609 -7.404 2.311 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.838 -7.307 -0.437 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.555 -6.880 1.104 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.593 -4.983 -0.596 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.543 -4.764 1.142 1.00 0.00 H new ATOM 1133 N LEU A 77 -6.633 -8.407 -0.154 1.00 0.00 N ATOM 1134 CA LEU A 77 -5.973 -9.215 -1.174 1.00 0.00 C ATOM 1135 C LEU A 77 -6.550 -10.626 -1.208 1.00 0.00 C ATOM 1136 O LEU A 77 -6.596 -11.329 -0.198 1.00 0.00 O ATOM 1137 CB LEU A 77 -4.467 -9.273 -0.912 1.00 0.00 C ATOM 1138 CG LEU A 77 -3.726 -10.466 -1.516 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -3.695 -10.363 -3.033 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -2.314 -10.555 -0.956 1.00 0.00 C ATOM 0 H LEU A 77 -6.244 -8.511 0.783 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.149 -8.747 -2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.016 -8.358 -1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.306 -9.279 0.166 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.261 -11.377 -1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.164 -11.221 -3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.715 -10.349 -3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.184 -9.445 -3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.801 -11.410 -1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.769 -9.642 -1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.359 -10.677 0.126 1.00 0.00 H new ATOM 1152 N PRO A 78 -6.999 -11.054 -2.397 1.00 0.00 N ATOM 1153 CA PRO A 78 -7.578 -12.387 -2.592 1.00 0.00 C ATOM 1154 C PRO A 78 -6.536 -13.494 -2.477 1.00 0.00 C ATOM 1155 O PRO A 78 -5.371 -13.302 -2.823 1.00 0.00 O ATOM 1156 CB PRO A 78 -8.139 -12.325 -4.015 1.00 0.00 C ATOM 1157 CG PRO A 78 -7.323 -11.283 -4.699 1.00 0.00 C ATOM 1158 CD PRO A 78 -6.976 -10.270 -3.644 1.00 0.00 C ATOM 0 HA PRO A 78 -8.326 -12.622 -1.834 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -8.052 -13.289 -4.517 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.197 -12.061 -4.012 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.423 -11.716 -5.135 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -7.882 -10.822 -5.514 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.997 -9.825 -3.821 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.697 -9.453 -3.618 1.00 0.00 H new ATOM 1166 N GLY A 79 -6.964 -14.655 -1.990 1.00 0.00 N ATOM 1167 CA GLY A 79 -6.055 -15.776 -1.839 1.00 0.00 C ATOM 1168 C GLY A 79 -5.298 -15.736 -0.526 1.00 0.00 C ATOM 1169 O GLY A 79 -5.182 -16.750 0.162 1.00 0.00 O ATOM 0 H GLY A 79 -7.924 -14.839 -1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.618 -16.707 -1.902 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.344 -15.777 -2.665 1.00 0.00 H new ATOM 1173 N ALA A 80 -4.781 -14.562 -0.178 1.00 0.00 N ATOM 1174 CA ALA A 80 -4.032 -14.395 1.061 1.00 0.00 C ATOM 1175 C ALA A 80 -4.722 -15.105 2.220 1.00 0.00 C ATOM 1176 O ALA A 80 -5.942 -15.031 2.371 1.00 0.00 O ATOM 1177 CB ALA A 80 -3.856 -12.916 1.375 1.00 0.00 C ATOM 0 H ALA A 80 -4.867 -13.713 -0.737 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.049 -14.847 0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.295 -12.805 2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.312 -12.434 0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.834 -12.448 1.485 1.00 0.00 H new ATOM 1183 N THR A 81 -3.934 -15.796 3.038 1.00 0.00 N ATOM 1184 CA THR A 81 -4.469 -16.521 4.183 1.00 0.00 C ATOM 1185 C THR A 81 -3.726 -16.155 5.463 1.00 0.00 C ATOM 1186 O THR A 81 -2.497 -16.105 5.503 1.00 0.00 O ATOM 1187 CB THR A 81 -4.383 -18.045 3.973 1.00 0.00 C ATOM 1188 OG1 THR A 81 -5.132 -18.421 2.811 1.00 0.00 O ATOM 1189 CG2 THR A 81 -4.915 -18.790 5.188 1.00 0.00 C ATOM 0 H THR A 81 -2.923 -15.868 2.928 1.00 0.00 H new ATOM 0 HA THR A 81 -5.516 -16.232 4.278 1.00 0.00 H new ATOM 0 HB THR A 81 -3.336 -18.312 3.833 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.879 -17.846 2.059 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.844 -19.864 5.016 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.326 -18.523 6.065 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.957 -18.517 5.354 1.00 0.00 H new ATOM 1197 N PRO A 82 -4.488 -15.892 6.535 1.00 0.00 N ATOM 1198 CA PRO A 82 -5.952 -15.947 6.499 1.00 0.00 C ATOM 1199 C PRO A 82 -6.555 -14.817 5.672 1.00 0.00 C ATOM 1200 O PRO A 82 -7.467 -15.036 4.876 1.00 0.00 O ATOM 1201 CB PRO A 82 -6.349 -15.803 7.970 1.00 0.00 C ATOM 1202 CG PRO A 82 -5.213 -15.075 8.600 1.00 0.00 C ATOM 1203 CD PRO A 82 -3.978 -15.519 7.866 1.00 0.00 C ATOM 0 HA PRO A 82 -6.313 -16.864 6.033 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.282 -15.249 8.076 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.502 -16.777 8.436 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.348 -13.996 8.519 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -5.141 -15.309 9.662 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.239 -14.721 7.804 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.496 -16.361 8.362 1.00 0.00 H new ATOM 1211 N ALA A 83 -6.038 -13.608 5.865 1.00 0.00 N ATOM 1212 CA ALA A 83 -6.524 -12.444 5.135 1.00 0.00 C ATOM 1213 C ALA A 83 -5.496 -11.317 5.151 1.00 0.00 C ATOM 1214 O ALA A 83 -5.082 -10.856 6.215 1.00 0.00 O ATOM 1215 CB ALA A 83 -7.844 -11.965 5.722 1.00 0.00 C ATOM 0 H ALA A 83 -5.283 -13.409 6.521 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.686 -12.739 4.098 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.195 -11.095 5.167 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.584 -12.762 5.652 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.700 -11.694 6.768 1.00 0.00 H new ATOM 1221 N LYS A 84 -5.088 -10.877 3.966 1.00 0.00 N ATOM 1222 CA LYS A 84 -4.109 -9.804 3.843 1.00 0.00 C ATOM 1223 C LYS A 84 -4.694 -8.619 3.080 1.00 0.00 C ATOM 1224 O LYS A 84 -5.745 -8.732 2.450 1.00 0.00 O ATOM 1225 CB LYS A 84 -2.852 -10.311 3.133 1.00 0.00 C ATOM 1226 CG LYS A 84 -1.798 -9.239 2.923 1.00 0.00 C ATOM 1227 CD LYS A 84 -0.442 -9.845 2.601 1.00 0.00 C ATOM 1228 CE LYS A 84 0.196 -10.469 3.832 1.00 0.00 C ATOM 1229 NZ LYS A 84 1.683 -10.470 3.747 1.00 0.00 N ATOM 0 H LYS A 84 -5.421 -11.248 3.076 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.843 -9.472 4.847 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.419 -11.125 3.715 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.134 -10.726 2.165 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.105 -8.580 2.111 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.719 -8.624 3.820 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.556 -10.602 1.825 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.216 -9.074 2.200 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.116 -9.920 4.720 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.162 -11.492 3.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.085 -10.355 4.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.007 -11.371 3.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.997 -9.685 3.141 1.00 0.00 H new ATOM 1243 N ARG A 85 -4.004 -7.485 3.140 1.00 0.00 N ATOM 1244 CA ARG A 85 -4.455 -6.280 2.455 1.00 0.00 C ATOM 1245 C ARG A 85 -3.541 -5.948 1.279 1.00 0.00 C ATOM 1246 O ARG A 85 -2.405 -6.419 1.210 1.00 0.00 O ATOM 1247 CB ARG A 85 -4.500 -5.100 3.428 1.00 0.00 C ATOM 1248 CG ARG A 85 -5.152 -3.856 2.847 1.00 0.00 C ATOM 1249 CD ARG A 85 -5.853 -3.041 3.923 1.00 0.00 C ATOM 1250 NE ARG A 85 -5.846 -1.612 3.618 1.00 0.00 N ATOM 1251 CZ ARG A 85 -4.830 -0.805 3.902 1.00 0.00 C ATOM 1252 NH1 ARG A 85 -3.744 -1.284 4.493 1.00 0.00 N ATOM 1253 NH2 ARG A 85 -4.899 0.484 3.593 1.00 0.00 N ATOM 0 H ARG A 85 -3.131 -7.376 3.656 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.459 -6.465 2.072 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.043 -5.400 4.324 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.484 -4.856 3.738 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.396 -3.242 2.358 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.872 -4.145 2.081 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.882 -3.385 4.026 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.364 -3.210 4.882 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.666 -1.212 3.162 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.687 -2.274 4.731 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.965 -0.662 4.710 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.733 0.855 3.137 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.118 1.103 3.811 1.00 0.00 H new ATOM 1267 N PHE A 86 -4.044 -5.136 0.355 1.00 0.00 N ATOM 1268 CA PHE A 86 -3.273 -4.743 -0.819 1.00 0.00 C ATOM 1269 C PHE A 86 -2.359 -3.564 -0.500 1.00 0.00 C ATOM 1270 O PHE A 86 -2.816 -2.429 -0.359 1.00 0.00 O ATOM 1271 CB PHE A 86 -4.211 -4.379 -1.972 1.00 0.00 C ATOM 1272 CG PHE A 86 -4.537 -5.539 -2.869 1.00 0.00 C ATOM 1273 CD1 PHE A 86 -3.534 -6.206 -3.553 1.00 0.00 C ATOM 1274 CD2 PHE A 86 -5.847 -5.962 -3.027 1.00 0.00 C ATOM 1275 CE1 PHE A 86 -3.832 -7.273 -4.379 1.00 0.00 C ATOM 1276 CE2 PHE A 86 -6.151 -7.029 -3.851 1.00 0.00 C ATOM 1277 CZ PHE A 86 -5.142 -7.686 -4.527 1.00 0.00 C ATOM 0 H PHE A 86 -4.982 -4.737 0.396 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.654 -5.589 -1.117 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.137 -3.975 -1.563 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.753 -3.588 -2.566 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.508 -5.889 -3.440 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.640 -5.452 -2.500 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.041 -7.784 -4.909 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.176 -7.349 -3.966 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.377 -8.521 -5.170 1.00 0.00 H new ATOM 1287 N LYS A 87 -1.065 -3.840 -0.387 1.00 0.00 N ATOM 1288 CA LYS A 87 -0.084 -2.804 -0.085 1.00 0.00 C ATOM 1289 C LYS A 87 0.600 -2.315 -1.358 1.00 0.00 C ATOM 1290 O LYS A 87 1.523 -2.955 -1.864 1.00 0.00 O ATOM 1291 CB LYS A 87 0.963 -3.335 0.898 1.00 0.00 C ATOM 1292 CG LYS A 87 1.623 -2.248 1.728 1.00 0.00 C ATOM 1293 CD LYS A 87 0.872 -2.004 3.026 1.00 0.00 C ATOM 1294 CE LYS A 87 0.997 -0.557 3.479 1.00 0.00 C ATOM 1295 NZ LYS A 87 2.234 -0.331 4.277 1.00 0.00 N ATOM 0 H LYS A 87 -0.670 -4.774 -0.500 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.608 -1.964 0.371 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.490 -4.054 1.566 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.731 -3.873 0.342 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.652 -2.532 1.950 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.665 -1.324 1.152 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.180 -2.255 2.891 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.260 -2.664 3.802 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.002 0.097 2.607 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.126 -0.286 4.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.283 0.667 4.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.217 -0.937 5.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.067 -0.565 3.700 1.00 0.00 H new ATOM 1309 N LEU A 88 0.143 -1.178 -1.870 1.00 0.00 N ATOM 1310 CA LEU A 88 0.712 -0.602 -3.083 1.00 0.00 C ATOM 1311 C LEU A 88 1.140 0.844 -2.851 1.00 0.00 C ATOM 1312 O LEU A 88 0.553 1.551 -2.033 1.00 0.00 O ATOM 1313 CB LEU A 88 -0.302 -0.668 -4.227 1.00 0.00 C ATOM 1314 CG LEU A 88 -1.006 -2.011 -4.422 1.00 0.00 C ATOM 1315 CD1 LEU A 88 -2.003 -1.929 -5.568 1.00 0.00 C ATOM 1316 CD2 LEU A 88 0.011 -3.115 -4.675 1.00 0.00 C ATOM 0 H LEU A 88 -0.620 -0.637 -1.464 1.00 0.00 H new ATOM 0 HA LEU A 88 1.594 -1.184 -3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.061 0.096 -4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.209 -0.410 -5.155 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.551 -2.250 -3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.495 -2.894 -5.692 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.750 -1.167 -5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.480 -1.667 -6.488 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.508 -4.064 -4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.584 -2.883 -5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.686 -3.190 -3.822 1.00 0.00 H new ATOM 1328 N ASN A 89 2.165 1.277 -3.578 1.00 0.00 N ATOM 1329 CA ASN A 89 2.670 2.639 -3.452 1.00 0.00 C ATOM 1330 C ASN A 89 3.377 3.077 -4.731 1.00 0.00 C ATOM 1331 O ASN A 89 3.781 2.246 -5.545 1.00 0.00 O ATOM 1332 CB ASN A 89 3.629 2.742 -2.265 1.00 0.00 C ATOM 1333 CG ASN A 89 2.904 2.982 -0.955 1.00 0.00 C ATOM 1334 OD1 ASN A 89 3.152 2.299 0.039 1.00 0.00 O ATOM 1335 ND2 ASN A 89 2.002 3.956 -0.948 1.00 0.00 N ATOM 0 H ASN A 89 2.662 0.704 -4.260 1.00 0.00 H new ATOM 0 HA ASN A 89 1.821 3.301 -3.282 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.212 1.824 -2.192 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.334 3.554 -2.441 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.482 4.164 -0.095 1.00 0.00 H new ATOM 0 HD22 ASN A 89 1.829 4.497 -1.795 1.00 0.00 H new ATOM 1342 N TYR A 90 3.524 4.386 -4.900 1.00 0.00 N ATOM 1343 CA TYR A 90 4.181 4.935 -6.081 1.00 0.00 C ATOM 1344 C TYR A 90 5.629 4.463 -6.167 1.00 0.00 C ATOM 1345 O TYR A 90 6.399 4.609 -5.218 1.00 0.00 O ATOM 1346 CB TYR A 90 4.132 6.464 -6.053 1.00 0.00 C ATOM 1347 CG TYR A 90 2.820 7.036 -6.541 1.00 0.00 C ATOM 1348 CD1 TYR A 90 2.216 6.553 -7.696 1.00 0.00 C ATOM 1349 CD2 TYR A 90 2.186 8.061 -5.850 1.00 0.00 C ATOM 1350 CE1 TYR A 90 1.018 7.073 -8.146 1.00 0.00 C ATOM 1351 CE2 TYR A 90 0.987 8.586 -6.292 1.00 0.00 C ATOM 1352 CZ TYR A 90 0.407 8.089 -7.441 1.00 0.00 C ATOM 1353 OH TYR A 90 -0.786 8.611 -7.886 1.00 0.00 O ATOM 0 H TYR A 90 3.197 5.087 -4.235 1.00 0.00 H new ATOM 0 HA TYR A 90 3.648 4.577 -6.962 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.312 6.806 -5.034 1.00 0.00 H new ATOM 0 HB3 TYR A 90 4.941 6.857 -6.668 1.00 0.00 H new ATOM 0 HD1 TYR A 90 2.691 5.758 -8.251 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.638 8.454 -4.952 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.562 6.686 -9.045 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.506 9.381 -5.741 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.082 9.318 -7.275 1.00 0.00 H new ATOM 1363 N ALA A 91 5.993 3.898 -7.314 1.00 0.00 N ATOM 1364 CA ALA A 91 7.348 3.407 -7.527 1.00 0.00 C ATOM 1365 C ALA A 91 8.380 4.386 -6.977 1.00 0.00 C ATOM 1366 O ALA A 91 9.485 3.994 -6.601 1.00 0.00 O ATOM 1367 CB ALA A 91 7.592 3.156 -9.008 1.00 0.00 C ATOM 0 H ALA A 91 5.368 3.769 -8.110 1.00 0.00 H new ATOM 0 HA ALA A 91 7.456 2.466 -6.988 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.608 2.789 -9.152 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.883 2.413 -9.373 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.460 4.086 -9.561 1.00 0.00 H new ATOM 1373 N THR A 92 8.013 5.663 -6.933 1.00 0.00 N ATOM 1374 CA THR A 92 8.906 6.699 -6.432 1.00 0.00 C ATOM 1375 C THR A 92 8.731 6.897 -4.930 1.00 0.00 C ATOM 1376 O THR A 92 8.896 8.003 -4.417 1.00 0.00 O ATOM 1377 CB THR A 92 8.667 8.042 -7.147 1.00 0.00 C ATOM 1378 OG1 THR A 92 9.598 9.022 -6.673 1.00 0.00 O ATOM 1379 CG2 THR A 92 7.246 8.532 -6.916 1.00 0.00 C ATOM 0 H THR A 92 7.102 6.004 -7.239 1.00 0.00 H new ATOM 0 HA THR A 92 9.923 6.364 -6.636 1.00 0.00 H new ATOM 0 HB THR A 92 8.813 7.890 -8.216 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.534 9.089 -5.697 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.101 9.482 -7.430 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.540 7.797 -7.304 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.077 8.668 -5.848 1.00 0.00 H new ATOM 1387 N TYR A 93 8.395 5.818 -4.232 1.00 0.00 N ATOM 1388 CA TYR A 93 8.195 5.874 -2.788 1.00 0.00 C ATOM 1389 C TYR A 93 9.517 6.109 -2.064 1.00 0.00 C ATOM 1390 O TYR A 93 10.581 6.127 -2.681 1.00 0.00 O ATOM 1391 CB TYR A 93 7.551 4.579 -2.291 1.00 0.00 C ATOM 1392 CG TYR A 93 8.553 3.522 -1.885 1.00 0.00 C ATOM 1393 CD1 TYR A 93 9.735 3.349 -2.594 1.00 0.00 C ATOM 1394 CD2 TYR A 93 8.317 2.697 -0.792 1.00 0.00 C ATOM 1395 CE1 TYR A 93 10.653 2.383 -2.227 1.00 0.00 C ATOM 1396 CE2 TYR A 93 9.230 1.730 -0.417 1.00 0.00 C ATOM 1397 CZ TYR A 93 10.396 1.577 -1.138 1.00 0.00 C ATOM 1398 OH TYR A 93 11.308 0.615 -0.769 1.00 0.00 O ATOM 0 H TYR A 93 8.255 4.894 -4.642 1.00 0.00 H new ATOM 0 HA TYR A 93 7.529 6.709 -2.571 1.00 0.00 H new ATOM 0 HB2 TYR A 93 6.909 4.806 -1.440 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.910 4.178 -3.076 1.00 0.00 H new ATOM 0 HD1 TYR A 93 9.940 3.980 -3.446 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.405 2.814 -0.226 1.00 0.00 H new ATOM 0 HE1 TYR A 93 11.566 2.260 -2.790 1.00 0.00 H new ATOM 0 HE2 TYR A 93 9.032 1.098 0.436 1.00 0.00 H new ATOM 0 HH TYR A 93 10.976 0.135 0.018 1.00 0.00 H new ATOM 1408 N SER A 94 9.440 6.288 -0.749 1.00 0.00 N ATOM 1409 CA SER A 94 10.629 6.525 0.061 1.00 0.00 C ATOM 1410 C SER A 94 10.357 6.213 1.529 1.00 0.00 C ATOM 1411 O SER A 94 9.542 6.871 2.175 1.00 0.00 O ATOM 1412 CB SER A 94 11.091 7.976 -0.086 1.00 0.00 C ATOM 1413 OG SER A 94 12.472 8.104 0.206 1.00 0.00 O ATOM 0 H SER A 94 8.567 6.273 -0.222 1.00 0.00 H new ATOM 0 HA SER A 94 11.418 5.862 -0.294 1.00 0.00 H new ATOM 0 HB2 SER A 94 10.897 8.321 -1.102 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.514 8.614 0.583 1.00 0.00 H new ATOM 0 HG SER A 94 12.743 9.040 0.103 1.00 0.00 H new ATOM 1419 N GLY A 95 11.047 5.203 2.051 1.00 0.00 N ATOM 1420 CA GLY A 95 10.866 4.820 3.439 1.00 0.00 C ATOM 1421 C GLY A 95 9.903 3.661 3.600 1.00 0.00 C ATOM 1422 O GLY A 95 9.568 2.966 2.640 1.00 0.00 O ATOM 0 H GLY A 95 11.728 4.644 1.537 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.831 4.548 3.866 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.497 5.676 4.004 1.00 0.00 H new ATOM 1426 N PRO A 96 9.442 3.437 4.840 1.00 0.00 N ATOM 1427 CA PRO A 96 8.506 2.353 5.152 1.00 0.00 C ATOM 1428 C PRO A 96 7.117 2.602 4.576 1.00 0.00 C ATOM 1429 O PRO A 96 6.508 1.707 3.989 1.00 0.00 O ATOM 1430 CB PRO A 96 8.459 2.356 6.682 1.00 0.00 C ATOM 1431 CG PRO A 96 8.822 3.747 7.070 1.00 0.00 C ATOM 1432 CD PRO A 96 9.799 4.225 6.031 1.00 0.00 C ATOM 0 HA PRO A 96 8.825 1.403 4.723 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.468 2.089 7.048 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.159 1.633 7.101 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.940 4.387 7.100 1.00 0.00 H new ATOM 0 HG3 PRO A 96 9.267 3.771 8.065 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.701 5.295 5.849 1.00 0.00 H new ATOM 0 HD3 PRO A 96 10.830 4.047 6.337 1.00 0.00 H new ATOM 1440 N SER A 97 6.621 3.823 4.746 1.00 0.00 N ATOM 1441 CA SER A 97 5.302 4.189 4.244 1.00 0.00 C ATOM 1442 C SER A 97 5.377 5.444 3.380 1.00 0.00 C ATOM 1443 O SER A 97 6.258 6.284 3.562 1.00 0.00 O ATOM 1444 CB SER A 97 4.335 4.416 5.409 1.00 0.00 C ATOM 1445 OG SER A 97 4.174 3.235 6.175 1.00 0.00 O ATOM 0 H SER A 97 7.113 4.576 5.228 1.00 0.00 H new ATOM 0 HA SER A 97 4.934 3.368 3.629 1.00 0.00 H new ATOM 0 HB2 SER A 97 4.709 5.218 6.045 1.00 0.00 H new ATOM 0 HB3 SER A 97 3.367 4.739 5.025 1.00 0.00 H new ATOM 0 HG SER A 97 3.553 3.406 6.914 1.00 0.00 H new ATOM 1451 N SER A 98 4.447 5.564 2.439 1.00 0.00 N ATOM 1452 CA SER A 98 4.409 6.714 1.542 1.00 0.00 C ATOM 1453 C SER A 98 3.534 7.823 2.118 1.00 0.00 C ATOM 1454 O SER A 98 2.734 7.591 3.023 1.00 0.00 O ATOM 1455 CB SER A 98 3.886 6.298 0.166 1.00 0.00 C ATOM 1456 OG SER A 98 4.882 5.611 -0.572 1.00 0.00 O ATOM 0 H SER A 98 3.709 4.879 2.277 1.00 0.00 H new ATOM 0 HA SER A 98 5.425 7.095 1.436 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.011 5.659 0.284 1.00 0.00 H new ATOM 0 HB3 SER A 98 3.564 7.181 -0.386 1.00 0.00 H new ATOM 0 HG SER A 98 4.582 5.495 -1.498 1.00 0.00 H new ATOM 1462 N GLY A 99 3.693 9.030 1.585 1.00 0.00 N ATOM 1463 CA GLY A 99 2.912 10.158 2.058 1.00 0.00 C ATOM 1464 C GLY A 99 2.874 11.297 1.057 1.00 0.00 C ATOM 1465 O GLY A 99 1.876 12.011 0.957 1.00 0.00 O ATOM 0 H GLY A 99 4.348 9.247 0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.894 9.829 2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.331 10.518 2.998 1.00 0.00 H new TER 1469 GLY A 99