USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 968 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 75 ASN : amide:sc= -0.429 K(o=-0.43,f=0.13) USER MOD Set 1.2: A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 61 TYR OH : rot -105:sc= 0.00818 USER MOD Set 2.2: A 65 SER OG : rot 180:sc= 0.00834 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 CYS SG : rot 22:sc= -0.469 USER MOD Single : A 14 TYR OH : rot 15:sc= -0.0155 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0689 K(o=-0.069,f=-0.98) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.332 X(o=-0.33,f=-0.33) USER MOD Single : A 33 LYS NZ :NH3+ -120:sc= -0.113 (180deg=-0.545) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -122:sc= -0.0523 (180deg=-1.16) USER MOD Single : A 44 ASN : amide:sc= -0.0811 K(o=-0.081,f=-1.8!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 HIS : no HE2:sc= -5.19! C(o=-5.2!,f=-4!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0.199 (180deg=0.199) USER MOD Single : A 55 ASN : amide:sc=-0.00284 K(o=-0.0028,f=-0.95) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.0124 K(o=-0.012,f=-1.5!) USER MOD Single : A 59 MET CE :methyl -106:sc= -3.2! (180deg=-7.98!) USER MOD Single : A 60 THR OG1 : rot 150:sc= -0.296 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -157:sc= -0.0509 (180deg=-0.295) USER MOD Single : A 70 HIS : no HD1:sc= -0.119 X(o=-0.12,f=0.001) USER MOD Single : A 71 TYR OH : rot 180:sc= -1.18 USER MOD Single : A 72 TYR OH : rot -62:sc= 0.177 USER MOD Single : A 73 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.035) USER MOD Single : A 79 LYS NZ :NH3+ -126:sc= -0.455 (180deg=-0.784) USER MOD Single : A 83 GLN : amide:sc= -0.745 K(o=-0.75,f=-1.8) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.887 USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.017) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= -0.122 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.792 10.300 0.862 1.00 0.00 N ATOM 2 CA GLY A 1 -28.727 9.548 1.500 1.00 0.00 C ATOM 3 C GLY A 1 -29.130 9.012 2.859 1.00 0.00 C ATOM 4 O GLY A 1 -30.085 8.244 2.973 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.467 10.645 -0.064 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.621 9.685 0.731 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.053 11.109 1.461 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.437 8.717 0.857 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.851 10.187 1.610 1.00 0.00 H new ATOM 8 N SER A 2 -28.399 9.416 3.893 1.00 0.00 N ATOM 9 CA SER A 2 -28.682 8.967 5.251 1.00 0.00 C ATOM 10 C SER A 2 -28.634 10.135 6.231 1.00 0.00 C ATOM 11 O SER A 2 -28.241 11.245 5.872 1.00 0.00 O ATOM 12 CB SER A 2 -27.681 7.890 5.674 1.00 0.00 C ATOM 13 OG SER A 2 -26.440 8.465 6.044 1.00 0.00 O ATOM 0 H SER A 2 -27.606 10.053 3.816 1.00 0.00 H new ATOM 0 HA SER A 2 -29.687 8.545 5.265 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.086 7.321 6.511 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.530 7.187 4.855 1.00 0.00 H new ATOM 0 HG SER A 2 -25.818 7.757 6.312 1.00 0.00 H new ATOM 19 N SER A 3 -29.038 9.876 7.471 1.00 0.00 N ATOM 20 CA SER A 3 -29.045 10.906 8.503 1.00 0.00 C ATOM 21 C SER A 3 -27.624 11.240 8.947 1.00 0.00 C ATOM 22 O SER A 3 -26.662 10.609 8.514 1.00 0.00 O ATOM 23 CB SER A 3 -29.873 10.448 9.705 1.00 0.00 C ATOM 24 OG SER A 3 -31.169 10.038 9.306 1.00 0.00 O ATOM 0 H SER A 3 -29.365 8.962 7.785 1.00 0.00 H new ATOM 0 HA SER A 3 -29.496 11.805 8.082 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.366 9.624 10.207 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.952 11.261 10.427 1.00 0.00 H new ATOM 0 HG SER A 3 -31.677 9.749 10.092 1.00 0.00 H new ATOM 30 N GLY A 4 -27.502 12.239 9.816 1.00 0.00 N ATOM 31 CA GLY A 4 -26.196 12.641 10.305 1.00 0.00 C ATOM 32 C GLY A 4 -25.624 11.658 11.306 1.00 0.00 C ATOM 33 O GLY A 4 -26.288 11.292 12.277 1.00 0.00 O ATOM 0 H GLY A 4 -28.284 12.777 10.190 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.510 12.738 9.463 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.272 13.624 10.769 1.00 0.00 H new ATOM 37 N SER A 5 -24.389 11.226 11.070 1.00 0.00 N ATOM 38 CA SER A 5 -23.730 10.274 11.956 1.00 0.00 C ATOM 39 C SER A 5 -22.449 10.868 12.536 1.00 0.00 C ATOM 40 O SER A 5 -22.188 10.758 13.734 1.00 0.00 O ATOM 41 CB SER A 5 -23.410 8.981 11.203 1.00 0.00 C ATOM 42 OG SER A 5 -22.494 8.181 11.930 1.00 0.00 O ATOM 0 H SER A 5 -23.825 11.520 10.273 1.00 0.00 H new ATOM 0 HA SER A 5 -24.410 10.049 12.777 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.329 8.421 11.029 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.992 9.220 10.225 1.00 0.00 H new ATOM 0 HG SER A 5 -22.307 7.360 11.429 1.00 0.00 H new ATOM 48 N SER A 6 -21.655 11.498 11.677 1.00 0.00 N ATOM 49 CA SER A 6 -20.400 12.107 12.101 1.00 0.00 C ATOM 50 C SER A 6 -19.999 13.239 11.160 1.00 0.00 C ATOM 51 O SER A 6 -20.654 13.480 10.147 1.00 0.00 O ATOM 52 CB SER A 6 -19.290 11.055 12.153 1.00 0.00 C ATOM 53 OG SER A 6 -18.938 10.620 10.851 1.00 0.00 O ATOM 0 H SER A 6 -21.858 11.600 10.683 1.00 0.00 H new ATOM 0 HA SER A 6 -20.546 12.522 13.098 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.414 11.471 12.650 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.620 10.203 12.748 1.00 0.00 H new ATOM 0 HG SER A 6 -18.226 9.950 10.911 1.00 0.00 H new ATOM 59 N GLY A 7 -18.917 13.931 11.503 1.00 0.00 N ATOM 60 CA GLY A 7 -18.447 15.029 10.679 1.00 0.00 C ATOM 61 C GLY A 7 -17.060 14.782 10.120 1.00 0.00 C ATOM 62 O GLY A 7 -16.908 14.132 9.085 1.00 0.00 O ATOM 0 H GLY A 7 -18.358 13.751 12.337 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.144 15.186 9.856 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.439 15.945 11.270 1.00 0.00 H new ATOM 66 N CYS A 8 -16.047 15.302 10.804 1.00 0.00 N ATOM 67 CA CYS A 8 -14.665 15.136 10.367 1.00 0.00 C ATOM 68 C CYS A 8 -14.058 13.866 10.954 1.00 0.00 C ATOM 69 O CYS A 8 -14.389 13.466 12.070 1.00 0.00 O ATOM 70 CB CYS A 8 -13.830 16.350 10.775 1.00 0.00 C ATOM 71 SG CYS A 8 -13.690 16.583 12.563 1.00 0.00 S ATOM 0 H CYS A 8 -16.156 15.842 11.663 1.00 0.00 H new ATOM 0 HA CYS A 8 -14.661 15.050 9.280 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -12.830 16.248 10.353 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -14.271 17.245 10.336 1.00 0.00 H new ATOM 0 HG CYS A 8 -13.928 15.457 13.167 1.00 0.00 H new ATOM 77 N ARG A 9 -13.169 13.234 10.194 1.00 0.00 N ATOM 78 CA ARG A 9 -12.518 12.008 10.637 1.00 0.00 C ATOM 79 C ARG A 9 -11.009 12.087 10.430 1.00 0.00 C ATOM 80 O ARG A 9 -10.537 12.609 9.418 1.00 0.00 O ATOM 81 CB ARG A 9 -13.085 10.803 9.883 1.00 0.00 C ATOM 82 CG ARG A 9 -14.296 10.179 10.555 1.00 0.00 C ATOM 83 CD ARG A 9 -13.901 9.385 11.791 1.00 0.00 C ATOM 84 NE ARG A 9 -15.054 9.064 12.628 1.00 0.00 N ATOM 85 CZ ARG A 9 -14.955 8.611 13.872 1.00 0.00 C ATOM 86 NH1 ARG A 9 -13.762 8.427 14.421 1.00 0.00 N ATOM 87 NH2 ARG A 9 -16.051 8.342 14.571 1.00 0.00 N ATOM 0 H ARG A 9 -12.883 13.552 9.268 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.715 11.887 11.702 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.359 11.112 8.874 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -12.306 10.048 9.784 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.002 10.961 10.834 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -14.808 9.525 9.849 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.406 8.463 11.486 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.178 9.957 12.373 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.986 9.195 12.235 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.918 8.634 13.887 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.689 8.079 15.377 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.970 8.483 14.152 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -15.974 7.994 15.527 1.00 0.00 H new ATOM 101 N LEU A 10 -10.256 11.568 11.393 1.00 0.00 N ATOM 102 CA LEU A 10 -8.799 11.580 11.317 1.00 0.00 C ATOM 103 C LEU A 10 -8.309 10.750 10.135 1.00 0.00 C ATOM 104 O LEU A 10 -9.107 10.188 9.384 1.00 0.00 O ATOM 105 CB LEU A 10 -8.196 11.044 12.617 1.00 0.00 C ATOM 106 CG LEU A 10 -8.275 11.976 13.827 1.00 0.00 C ATOM 107 CD1 LEU A 10 -8.386 11.171 15.113 1.00 0.00 C ATOM 108 CD2 LEU A 10 -7.061 12.893 13.873 1.00 0.00 C ATOM 0 H LEU A 10 -10.630 11.133 12.236 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.476 12.611 11.172 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.698 10.110 12.869 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.148 10.804 12.436 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.168 12.593 13.730 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.441 11.850 15.964 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.285 10.556 15.081 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.511 10.529 15.217 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.134 13.549 14.740 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.154 12.293 13.947 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.025 13.494 12.965 1.00 0.00 H new ATOM 120 N LEU A 11 -6.992 10.676 9.977 1.00 0.00 N ATOM 121 CA LEU A 11 -6.394 9.912 8.888 1.00 0.00 C ATOM 122 C LEU A 11 -5.856 8.576 9.391 1.00 0.00 C ATOM 123 O LEU A 11 -6.403 7.518 9.078 1.00 0.00 O ATOM 124 CB LEU A 11 -5.268 10.714 8.234 1.00 0.00 C ATOM 125 CG LEU A 11 -4.365 9.942 7.272 1.00 0.00 C ATOM 126 CD1 LEU A 11 -5.167 9.419 6.090 1.00 0.00 C ATOM 127 CD2 LEU A 11 -3.219 10.822 6.793 1.00 0.00 C ATOM 0 H LEU A 11 -6.318 11.136 10.589 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.169 9.715 8.147 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.711 11.550 7.693 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.646 11.139 9.022 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.944 9.090 7.805 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.507 8.872 5.416 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.952 8.753 6.449 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.617 10.256 5.557 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.587 10.256 6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.621 11.694 6.277 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.628 11.147 7.649 1.00 0.00 H new ATOM 139 N TRP A 12 -4.784 8.633 10.173 1.00 0.00 N ATOM 140 CA TRP A 12 -4.173 7.427 10.721 1.00 0.00 C ATOM 141 C TRP A 12 -5.229 6.365 11.010 1.00 0.00 C ATOM 142 O TRP A 12 -4.982 5.170 10.848 1.00 0.00 O ATOM 143 CB TRP A 12 -3.401 7.757 11.999 1.00 0.00 C ATOM 144 CG TRP A 12 -4.245 7.693 13.236 1.00 0.00 C ATOM 145 CD1 TRP A 12 -4.900 8.730 13.836 1.00 0.00 C ATOM 146 CD2 TRP A 12 -4.521 6.530 14.025 1.00 0.00 C ATOM 147 NE1 TRP A 12 -5.568 8.282 14.951 1.00 0.00 N ATOM 148 CE2 TRP A 12 -5.352 6.936 15.088 1.00 0.00 C ATOM 149 CE3 TRP A 12 -4.150 5.186 13.936 1.00 0.00 C ATOM 150 CZ2 TRP A 12 -5.815 6.045 16.053 1.00 0.00 C ATOM 151 CZ3 TRP A 12 -4.610 4.303 14.895 1.00 0.00 C ATOM 152 CH2 TRP A 12 -5.435 4.735 15.941 1.00 0.00 C ATOM 0 H TRP A 12 -4.320 9.501 10.442 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.480 7.031 9.979 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -2.567 7.063 12.101 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.975 8.756 11.910 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.894 9.752 13.486 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.133 8.858 15.575 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.515 4.843 13.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.451 6.376 16.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -4.328 3.262 14.837 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -5.778 4.020 16.674 1.00 0.00 H new ATOM 163 N ASP A 13 -6.406 6.809 11.439 1.00 0.00 N ATOM 164 CA ASP A 13 -7.500 5.896 11.749 1.00 0.00 C ATOM 165 C ASP A 13 -8.133 5.353 10.472 1.00 0.00 C ATOM 166 O ASP A 13 -8.334 4.146 10.332 1.00 0.00 O ATOM 167 CB ASP A 13 -8.558 6.604 12.597 1.00 0.00 C ATOM 168 CG ASP A 13 -9.916 5.936 12.505 1.00 0.00 C ATOM 169 OD1 ASP A 13 -10.116 4.905 13.181 1.00 0.00 O ATOM 170 OD2 ASP A 13 -10.777 6.443 11.758 1.00 0.00 O ATOM 0 H ASP A 13 -6.626 7.795 11.580 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.093 5.058 12.315 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.234 6.620 13.638 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.644 7.641 12.274 1.00 0.00 H new ATOM 175 N TYR A 14 -8.447 6.250 9.545 1.00 0.00 N ATOM 176 CA TYR A 14 -9.061 5.862 8.281 1.00 0.00 C ATOM 177 C TYR A 14 -8.452 4.565 7.756 1.00 0.00 C ATOM 178 O TYR A 14 -9.121 3.778 7.085 1.00 0.00 O ATOM 179 CB TYR A 14 -8.892 6.974 7.245 1.00 0.00 C ATOM 180 CG TYR A 14 -9.190 6.533 5.829 1.00 0.00 C ATOM 181 CD1 TYR A 14 -10.493 6.516 5.346 1.00 0.00 C ATOM 182 CD2 TYR A 14 -8.170 6.132 4.976 1.00 0.00 C ATOM 183 CE1 TYR A 14 -10.770 6.113 4.054 1.00 0.00 C ATOM 184 CE2 TYR A 14 -8.437 5.729 3.682 1.00 0.00 C ATOM 185 CZ TYR A 14 -9.739 5.721 3.226 1.00 0.00 C ATOM 186 OH TYR A 14 -10.009 5.319 1.938 1.00 0.00 O ATOM 0 H TYR A 14 -8.286 7.252 9.645 1.00 0.00 H new ATOM 0 HA TYR A 14 -10.124 5.698 8.457 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -9.550 7.804 7.504 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.870 7.351 7.292 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.303 6.823 5.992 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.150 6.135 5.331 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.788 6.105 3.694 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.631 5.422 3.031 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.919 5.591 1.694 1.00 0.00 H new ATOM 196 N VAL A 15 -7.178 4.349 8.067 1.00 0.00 N ATOM 197 CA VAL A 15 -6.477 3.148 7.629 1.00 0.00 C ATOM 198 C VAL A 15 -7.215 1.889 8.071 1.00 0.00 C ATOM 199 O VAL A 15 -7.647 1.087 7.243 1.00 0.00 O ATOM 200 CB VAL A 15 -5.039 3.105 8.177 1.00 0.00 C ATOM 201 CG1 VAL A 15 -4.308 1.873 7.666 1.00 0.00 C ATOM 202 CG2 VAL A 15 -4.288 4.374 7.802 1.00 0.00 C ATOM 0 H VAL A 15 -6.610 4.990 8.621 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.442 3.182 6.540 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.085 3.045 9.264 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.293 1.861 8.064 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.836 0.976 7.990 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.270 1.898 6.577 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.273 4.327 8.197 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.250 4.467 6.717 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.801 5.238 8.223 1.00 0.00 H new ATOM 212 N TYR A 16 -7.357 1.723 9.381 1.00 0.00 N ATOM 213 CA TYR A 16 -8.041 0.560 9.934 1.00 0.00 C ATOM 214 C TYR A 16 -9.309 0.247 9.144 1.00 0.00 C ATOM 215 O TYR A 16 -9.452 -0.841 8.588 1.00 0.00 O ATOM 216 CB TYR A 16 -8.389 0.799 11.404 1.00 0.00 C ATOM 217 CG TYR A 16 -8.437 -0.468 12.229 1.00 0.00 C ATOM 218 CD1 TYR A 16 -7.307 -1.260 12.386 1.00 0.00 C ATOM 219 CD2 TYR A 16 -9.612 -0.873 12.849 1.00 0.00 C ATOM 220 CE1 TYR A 16 -7.346 -2.419 13.138 1.00 0.00 C ATOM 221 CE2 TYR A 16 -9.660 -2.029 13.604 1.00 0.00 C ATOM 222 CZ TYR A 16 -8.524 -2.799 13.745 1.00 0.00 C ATOM 223 OH TYR A 16 -8.568 -3.952 14.495 1.00 0.00 O ATOM 0 H TYR A 16 -7.008 2.379 10.080 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.369 -0.295 9.861 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.654 1.477 11.837 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -9.356 1.298 11.463 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.382 -0.965 11.912 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -10.504 -0.274 12.739 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.458 -3.024 13.250 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -10.582 -2.328 14.081 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.472 -4.074 14.854 1.00 0.00 H new ATOM 233 N GLN A 17 -10.224 1.210 9.100 1.00 0.00 N ATOM 234 CA GLN A 17 -11.479 1.038 8.379 1.00 0.00 C ATOM 235 C GLN A 17 -11.266 0.237 7.098 1.00 0.00 C ATOM 236 O GLN A 17 -12.108 -0.576 6.714 1.00 0.00 O ATOM 237 CB GLN A 17 -12.092 2.399 8.047 1.00 0.00 C ATOM 238 CG GLN A 17 -12.254 3.305 9.258 1.00 0.00 C ATOM 239 CD GLN A 17 -12.996 4.586 8.933 1.00 0.00 C ATOM 240 OE1 GLN A 17 -12.559 5.374 8.093 1.00 0.00 O ATOM 241 NE2 GLN A 17 -14.125 4.802 9.598 1.00 0.00 N ATOM 0 H GLN A 17 -10.120 2.117 9.555 1.00 0.00 H new ATOM 0 HA GLN A 17 -12.165 0.486 9.022 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.465 2.900 7.310 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -13.067 2.246 7.585 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -12.790 2.767 10.040 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.270 3.551 9.657 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -14.450 4.122 10.285 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -14.667 5.648 9.421 1.00 0.00 H new ATOM 250 N LEU A 18 -10.135 0.472 6.441 1.00 0.00 N ATOM 251 CA LEU A 18 -9.811 -0.227 5.203 1.00 0.00 C ATOM 252 C LEU A 18 -9.316 -1.640 5.489 1.00 0.00 C ATOM 253 O LEU A 18 -9.853 -2.616 4.964 1.00 0.00 O ATOM 254 CB LEU A 18 -8.750 0.549 4.419 1.00 0.00 C ATOM 255 CG LEU A 18 -9.202 1.878 3.812 1.00 0.00 C ATOM 256 CD1 LEU A 18 -8.159 2.401 2.838 1.00 0.00 C ATOM 257 CD2 LEU A 18 -10.548 1.718 3.121 1.00 0.00 C ATOM 0 H LEU A 18 -9.428 1.141 6.745 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.719 -0.295 4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.907 0.743 5.082 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.383 -0.089 3.615 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.314 2.604 4.617 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.497 3.347 2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.216 2.554 3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.015 1.677 2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.854 2.673 2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.463 0.977 2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.292 1.389 3.846 1.00 0.00 H new ATOM 269 N LEU A 19 -8.289 -1.744 6.326 1.00 0.00 N ATOM 270 CA LEU A 19 -7.722 -3.039 6.685 1.00 0.00 C ATOM 271 C LEU A 19 -8.816 -4.015 7.106 1.00 0.00 C ATOM 272 O LEU A 19 -8.952 -5.096 6.533 1.00 0.00 O ATOM 273 CB LEU A 19 -6.705 -2.877 7.816 1.00 0.00 C ATOM 274 CG LEU A 19 -5.261 -2.615 7.388 1.00 0.00 C ATOM 275 CD1 LEU A 19 -4.864 -3.546 6.252 1.00 0.00 C ATOM 276 CD2 LEU A 19 -5.082 -1.161 6.977 1.00 0.00 C ATOM 0 H LEU A 19 -7.832 -0.947 6.769 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.218 -3.443 5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.029 -2.054 8.454 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.724 -3.780 8.426 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.608 -2.814 8.238 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.833 -3.345 5.960 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.953 -4.581 6.582 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.521 -3.380 5.399 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.048 -0.993 6.675 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.745 -0.935 6.142 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.325 -0.512 7.819 1.00 0.00 H new ATOM 288 N SER A 20 -9.596 -3.625 8.109 1.00 0.00 N ATOM 289 CA SER A 20 -10.678 -4.466 8.608 1.00 0.00 C ATOM 290 C SER A 20 -11.318 -5.259 7.471 1.00 0.00 C ATOM 291 O SER A 20 -11.540 -6.464 7.589 1.00 0.00 O ATOM 292 CB SER A 20 -11.737 -3.611 9.307 1.00 0.00 C ATOM 293 OG SER A 20 -12.704 -4.422 9.950 1.00 0.00 O ATOM 0 H SER A 20 -9.499 -2.732 8.592 1.00 0.00 H new ATOM 0 HA SER A 20 -10.257 -5.169 9.327 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.258 -2.961 10.039 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.226 -2.965 8.578 1.00 0.00 H new ATOM 0 HG SER A 20 -13.368 -3.852 10.390 1.00 0.00 H new ATOM 299 N ASP A 21 -11.611 -4.573 6.372 1.00 0.00 N ATOM 300 CA ASP A 21 -12.225 -5.211 5.214 1.00 0.00 C ATOM 301 C ASP A 21 -11.163 -5.657 4.213 1.00 0.00 C ATOM 302 O ASP A 21 -10.249 -4.901 3.884 1.00 0.00 O ATOM 303 CB ASP A 21 -13.208 -4.254 4.539 1.00 0.00 C ATOM 304 CG ASP A 21 -14.606 -4.357 5.118 1.00 0.00 C ATOM 305 OD1 ASP A 21 -14.729 -4.437 6.358 1.00 0.00 O ATOM 306 OD2 ASP A 21 -15.576 -4.358 4.331 1.00 0.00 O ATOM 0 H ASP A 21 -11.433 -3.575 6.259 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.766 -6.092 5.560 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.847 -3.231 4.647 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.244 -4.468 3.471 1.00 0.00 H new ATOM 311 N SER A 22 -11.289 -6.891 3.735 1.00 0.00 N ATOM 312 CA SER A 22 -10.337 -7.440 2.776 1.00 0.00 C ATOM 313 C SER A 22 -10.804 -7.192 1.344 1.00 0.00 C ATOM 314 O SER A 22 -10.577 -8.013 0.455 1.00 0.00 O ATOM 315 CB SER A 22 -10.151 -8.940 3.012 1.00 0.00 C ATOM 316 OG SER A 22 -9.099 -9.185 3.928 1.00 0.00 O ATOM 0 H SER A 22 -12.041 -7.529 3.996 1.00 0.00 H new ATOM 0 HA SER A 22 -9.381 -6.936 2.920 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.077 -9.369 3.394 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.936 -9.436 2.066 1.00 0.00 H new ATOM 0 HG SER A 22 -9.001 -10.151 4.063 1.00 0.00 H new ATOM 322 N ARG A 23 -11.459 -6.056 1.130 1.00 0.00 N ATOM 323 CA ARG A 23 -11.959 -5.700 -0.192 1.00 0.00 C ATOM 324 C ARG A 23 -10.970 -4.798 -0.923 1.00 0.00 C ATOM 325 O ARG A 23 -10.802 -4.900 -2.139 1.00 0.00 O ATOM 326 CB ARG A 23 -13.315 -4.999 -0.076 1.00 0.00 C ATOM 327 CG ARG A 23 -14.378 -5.841 0.611 1.00 0.00 C ATOM 328 CD ARG A 23 -15.664 -5.055 0.814 1.00 0.00 C ATOM 329 NE ARG A 23 -16.841 -5.921 0.811 1.00 0.00 N ATOM 330 CZ ARG A 23 -18.080 -5.477 0.634 1.00 0.00 C ATOM 331 NH1 ARG A 23 -18.303 -4.183 0.446 1.00 0.00 N ATOM 332 NH2 ARG A 23 -19.099 -6.327 0.645 1.00 0.00 N ATOM 0 H ARG A 23 -11.656 -5.366 1.855 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.080 -6.618 -0.766 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.187 -4.068 0.477 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.663 -4.732 -1.074 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.583 -6.729 0.013 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.004 -6.185 1.575 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.614 -4.515 1.760 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.761 -4.309 0.026 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.703 -6.922 0.953 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.522 -3.527 0.437 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.255 -3.844 0.310 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.931 -7.323 0.790 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -20.050 -5.985 0.509 1.00 0.00 H new ATOM 346 N TYR A 24 -10.317 -3.915 -0.175 1.00 0.00 N ATOM 347 CA TYR A 24 -9.347 -2.993 -0.753 1.00 0.00 C ATOM 348 C TYR A 24 -7.942 -3.586 -0.713 1.00 0.00 C ATOM 349 O TYR A 24 -6.952 -2.878 -0.897 1.00 0.00 O ATOM 350 CB TYR A 24 -9.370 -1.660 -0.004 1.00 0.00 C ATOM 351 CG TYR A 24 -10.762 -1.108 0.207 1.00 0.00 C ATOM 352 CD1 TYR A 24 -11.546 -1.537 1.271 1.00 0.00 C ATOM 353 CD2 TYR A 24 -11.294 -0.160 -0.658 1.00 0.00 C ATOM 354 CE1 TYR A 24 -12.819 -1.036 1.468 1.00 0.00 C ATOM 355 CE2 TYR A 24 -12.565 0.347 -0.469 1.00 0.00 C ATOM 356 CZ TYR A 24 -13.324 -0.094 0.595 1.00 0.00 C ATOM 357 OH TYR A 24 -14.591 0.407 0.787 1.00 0.00 O ATOM 0 H TYR A 24 -10.442 -3.819 0.833 1.00 0.00 H new ATOM 0 HA TYR A 24 -9.621 -2.822 -1.794 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.889 -1.789 0.965 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -8.779 -0.931 -0.559 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -11.154 -2.274 1.956 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.703 0.187 -1.493 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -13.415 -1.380 2.300 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.962 1.085 -1.151 1.00 0.00 H new ATOM 0 HH TYR A 24 -14.794 1.061 0.086 1.00 0.00 H new ATOM 367 N GLU A 25 -7.864 -4.892 -0.473 1.00 0.00 N ATOM 368 CA GLU A 25 -6.580 -5.581 -0.410 1.00 0.00 C ATOM 369 C GLU A 25 -5.579 -4.956 -1.376 1.00 0.00 C ATOM 370 O GLU A 25 -4.539 -4.443 -0.964 1.00 0.00 O ATOM 371 CB GLU A 25 -6.758 -7.066 -0.732 1.00 0.00 C ATOM 372 CG GLU A 25 -5.877 -7.980 0.104 1.00 0.00 C ATOM 373 CD GLU A 25 -5.620 -9.315 -0.566 1.00 0.00 C ATOM 374 OE1 GLU A 25 -6.549 -10.149 -0.602 1.00 0.00 O ATOM 375 OE2 GLU A 25 -4.490 -9.528 -1.053 1.00 0.00 O ATOM 0 H GLU A 25 -8.674 -5.493 -0.319 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.191 -5.480 0.603 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.802 -7.340 -0.577 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.539 -7.229 -1.787 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.925 -7.485 0.296 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.350 -8.148 1.072 1.00 0.00 H new ATOM 382 N ASN A 26 -5.900 -5.004 -2.665 1.00 0.00 N ATOM 383 CA ASN A 26 -5.028 -4.443 -3.691 1.00 0.00 C ATOM 384 C ASN A 26 -4.520 -3.065 -3.280 1.00 0.00 C ATOM 385 O ASN A 26 -3.351 -2.736 -3.484 1.00 0.00 O ATOM 386 CB ASN A 26 -5.772 -4.348 -5.025 1.00 0.00 C ATOM 387 CG ASN A 26 -6.582 -5.594 -5.325 1.00 0.00 C ATOM 388 OD1 ASN A 26 -6.075 -6.713 -5.244 1.00 0.00 O ATOM 389 ND2 ASN A 26 -7.850 -5.405 -5.674 1.00 0.00 N ATOM 0 H ASN A 26 -6.757 -5.425 -3.024 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.171 -5.106 -3.807 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.435 -3.483 -5.008 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.053 -4.183 -5.828 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.445 -6.206 -5.888 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.229 -4.459 -5.728 1.00 0.00 H new ATOM 396 N PHE A 27 -5.406 -2.263 -2.699 1.00 0.00 N ATOM 397 CA PHE A 27 -5.048 -0.919 -2.259 1.00 0.00 C ATOM 398 C PHE A 27 -4.172 -0.972 -1.010 1.00 0.00 C ATOM 399 O PHE A 27 -3.142 -0.302 -0.933 1.00 0.00 O ATOM 400 CB PHE A 27 -6.308 -0.099 -1.978 1.00 0.00 C ATOM 401 CG PHE A 27 -7.032 0.333 -3.222 1.00 0.00 C ATOM 402 CD1 PHE A 27 -6.373 1.047 -4.209 1.00 0.00 C ATOM 403 CD2 PHE A 27 -8.371 0.026 -3.402 1.00 0.00 C ATOM 404 CE1 PHE A 27 -7.035 1.446 -5.355 1.00 0.00 C ATOM 405 CE2 PHE A 27 -9.038 0.421 -4.546 1.00 0.00 C ATOM 406 CZ PHE A 27 -8.370 1.133 -5.523 1.00 0.00 C ATOM 0 H PHE A 27 -6.377 -2.520 -2.522 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.483 -0.440 -3.058 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.985 -0.688 -1.359 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.036 0.784 -1.400 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.330 1.295 -4.082 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.899 -0.528 -2.640 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.509 2.001 -6.118 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -10.081 0.173 -4.676 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.890 1.444 -6.417 1.00 0.00 H new ATOM 416 N ILE A 28 -4.591 -1.771 -0.035 1.00 0.00 N ATOM 417 CA ILE A 28 -3.846 -1.911 1.210 1.00 0.00 C ATOM 418 C ILE A 28 -4.187 -3.222 1.911 1.00 0.00 C ATOM 419 O ILE A 28 -5.340 -3.652 1.917 1.00 0.00 O ATOM 420 CB ILE A 28 -4.128 -0.740 2.170 1.00 0.00 C ATOM 421 CG1 ILE A 28 -3.307 -0.894 3.452 1.00 0.00 C ATOM 422 CG2 ILE A 28 -5.613 -0.665 2.491 1.00 0.00 C ATOM 423 CD1 ILE A 28 -3.098 0.406 4.196 1.00 0.00 C ATOM 0 H ILE A 28 -5.442 -2.331 -0.083 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.788 -1.907 0.946 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.834 0.190 1.683 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.807 -1.604 4.111 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.335 -1.321 3.202 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.797 0.167 3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.177 -0.513 1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.931 -1.595 2.962 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.508 0.221 5.094 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.570 1.112 3.554 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.065 0.824 4.477 1.00 0.00 H new ATOM 435 N ARG A 29 -3.176 -3.851 2.502 1.00 0.00 N ATOM 436 CA ARG A 29 -3.369 -5.113 3.206 1.00 0.00 C ATOM 437 C ARG A 29 -2.458 -5.199 4.427 1.00 0.00 C ATOM 438 O ARG A 29 -1.602 -4.339 4.637 1.00 0.00 O ATOM 439 CB ARG A 29 -3.097 -6.291 2.270 1.00 0.00 C ATOM 440 CG ARG A 29 -1.729 -6.241 1.610 1.00 0.00 C ATOM 441 CD ARG A 29 -1.707 -7.035 0.313 1.00 0.00 C ATOM 442 NE ARG A 29 -0.372 -7.542 0.004 1.00 0.00 N ATOM 443 CZ ARG A 29 -0.125 -8.420 -0.961 1.00 0.00 C ATOM 444 NH1 ARG A 29 -1.117 -8.886 -1.708 1.00 0.00 N ATOM 445 NH2 ARG A 29 1.116 -8.834 -1.181 1.00 0.00 N ATOM 0 H ARG A 29 -2.216 -3.507 2.507 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.405 -5.157 3.543 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.185 -7.220 2.834 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.864 -6.314 1.496 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.459 -5.204 1.408 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.979 -6.638 2.294 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.404 -7.870 0.387 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.053 -6.403 -0.505 1.00 0.00 H new ATOM 0 HE ARG A 29 0.413 -7.203 0.560 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.072 -8.570 -1.542 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.924 -9.560 -2.449 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.881 -8.478 -0.609 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.305 -9.508 -1.923 1.00 0.00 H new ATOM 459 N TRP A 30 -2.649 -6.240 5.229 1.00 0.00 N ATOM 460 CA TRP A 30 -1.844 -6.438 6.429 1.00 0.00 C ATOM 461 C TRP A 30 -0.537 -7.149 6.098 1.00 0.00 C ATOM 462 O TRP A 30 -0.541 -8.289 5.634 1.00 0.00 O ATOM 463 CB TRP A 30 -2.628 -7.243 7.467 1.00 0.00 C ATOM 464 CG TRP A 30 -3.593 -6.412 8.258 1.00 0.00 C ATOM 465 CD1 TRP A 30 -4.954 -6.527 8.271 1.00 0.00 C ATOM 466 CD2 TRP A 30 -3.270 -5.339 9.148 1.00 0.00 C ATOM 467 NE1 TRP A 30 -5.496 -5.590 9.117 1.00 0.00 N ATOM 468 CE2 TRP A 30 -4.485 -4.849 9.668 1.00 0.00 C ATOM 469 CE3 TRP A 30 -2.074 -4.745 9.559 1.00 0.00 C ATOM 470 CZ2 TRP A 30 -4.534 -3.793 10.574 1.00 0.00 C ATOM 471 CZ3 TRP A 30 -2.125 -3.697 10.458 1.00 0.00 C ATOM 472 CH2 TRP A 30 -3.348 -3.230 10.959 1.00 0.00 C ATOM 0 H TRP A 30 -3.354 -6.960 5.070 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.607 -5.458 6.842 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -3.175 -8.039 6.962 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -1.927 -7.722 8.150 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.520 -7.248 7.700 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.491 -5.466 9.304 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -1.126 -5.099 9.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.476 -3.431 10.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -1.206 -3.229 10.780 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -3.354 -2.410 11.662 1.00 0.00 H new ATOM 483 N GLU A 31 0.580 -6.469 6.338 1.00 0.00 N ATOM 484 CA GLU A 31 1.894 -7.037 6.064 1.00 0.00 C ATOM 485 C GLU A 31 2.251 -8.105 7.094 1.00 0.00 C ATOM 486 O GLU A 31 2.489 -9.262 6.748 1.00 0.00 O ATOM 487 CB GLU A 31 2.959 -5.939 6.061 1.00 0.00 C ATOM 488 CG GLU A 31 2.987 -5.120 4.781 1.00 0.00 C ATOM 489 CD GLU A 31 3.403 -5.938 3.575 1.00 0.00 C ATOM 490 OE1 GLU A 31 4.522 -6.492 3.590 1.00 0.00 O ATOM 491 OE2 GLU A 31 2.609 -6.025 2.614 1.00 0.00 O ATOM 0 H GLU A 31 0.601 -5.524 6.722 1.00 0.00 H new ATOM 0 HA GLU A 31 1.861 -7.503 5.079 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.783 -5.272 6.905 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.938 -6.394 6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.999 -4.695 4.604 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.676 -4.284 4.904 1.00 0.00 H new ATOM 498 N ASP A 32 2.287 -7.707 8.361 1.00 0.00 N ATOM 499 CA ASP A 32 2.614 -8.629 9.443 1.00 0.00 C ATOM 500 C ASP A 32 1.650 -8.458 10.613 1.00 0.00 C ATOM 501 O ASP A 32 1.927 -7.718 11.557 1.00 0.00 O ATOM 502 CB ASP A 32 4.052 -8.406 9.914 1.00 0.00 C ATOM 503 CG ASP A 32 5.066 -9.110 9.033 1.00 0.00 C ATOM 504 OD1 ASP A 32 5.191 -8.728 7.851 1.00 0.00 O ATOM 505 OD2 ASP A 32 5.734 -10.042 9.527 1.00 0.00 O ATOM 0 H ASP A 32 2.094 -6.752 8.664 1.00 0.00 H new ATOM 0 HA ASP A 32 2.518 -9.646 9.062 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.266 -7.337 9.926 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.155 -8.763 10.939 1.00 0.00 H new ATOM 510 N LYS A 33 0.516 -9.146 10.543 1.00 0.00 N ATOM 511 CA LYS A 33 -0.490 -9.072 11.596 1.00 0.00 C ATOM 512 C LYS A 33 0.148 -9.237 12.972 1.00 0.00 C ATOM 513 O LYS A 33 -0.337 -8.687 13.960 1.00 0.00 O ATOM 514 CB LYS A 33 -1.559 -10.147 11.386 1.00 0.00 C ATOM 515 CG LYS A 33 -2.660 -9.731 10.427 1.00 0.00 C ATOM 516 CD LYS A 33 -3.799 -9.035 11.154 1.00 0.00 C ATOM 517 CE LYS A 33 -5.104 -9.143 10.379 1.00 0.00 C ATOM 518 NZ LYS A 33 -5.580 -10.551 10.289 1.00 0.00 N ATOM 0 H LYS A 33 0.270 -9.762 9.768 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.958 -8.089 11.547 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.083 -11.052 11.009 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.003 -10.398 12.349 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.250 -9.064 9.668 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.042 -10.609 9.907 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.924 -9.476 12.143 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.549 -7.985 11.303 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.866 -8.532 10.863 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.965 -8.742 9.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.644 -10.832 9.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.911 -11.176 10.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.518 -10.629 10.732 1.00 0.00 H new ATOM 532 N GLU A 34 1.238 -9.996 13.026 1.00 0.00 N ATOM 533 CA GLU A 34 1.942 -10.231 14.281 1.00 0.00 C ATOM 534 C GLU A 34 2.175 -8.921 15.028 1.00 0.00 C ATOM 535 O GLU A 34 1.898 -8.818 16.223 1.00 0.00 O ATOM 536 CB GLU A 34 3.279 -10.927 14.019 1.00 0.00 C ATOM 537 CG GLU A 34 3.139 -12.279 13.340 1.00 0.00 C ATOM 538 CD GLU A 34 4.459 -13.017 13.231 1.00 0.00 C ATOM 539 OE1 GLU A 34 5.377 -12.494 12.564 1.00 0.00 O ATOM 540 OE2 GLU A 34 4.574 -14.116 13.811 1.00 0.00 O ATOM 0 H GLU A 34 1.652 -10.458 12.216 1.00 0.00 H new ATOM 0 HA GLU A 34 1.320 -10.877 14.901 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.900 -10.281 13.398 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.802 -11.058 14.966 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.430 -12.890 13.899 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.722 -12.139 12.343 1.00 0.00 H new ATOM 547 N SER A 35 2.688 -7.924 14.315 1.00 0.00 N ATOM 548 CA SER A 35 2.963 -6.621 14.910 1.00 0.00 C ATOM 549 C SER A 35 2.076 -5.544 14.294 1.00 0.00 C ATOM 550 O SER A 35 2.455 -4.374 14.227 1.00 0.00 O ATOM 551 CB SER A 35 4.436 -6.253 14.724 1.00 0.00 C ATOM 552 OG SER A 35 5.263 -7.001 15.598 1.00 0.00 O ATOM 0 H SER A 35 2.922 -7.993 13.325 1.00 0.00 H new ATOM 0 HA SER A 35 2.743 -6.682 15.976 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.732 -6.437 13.691 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.574 -5.188 14.910 1.00 0.00 H new ATOM 0 HG SER A 35 6.200 -6.748 15.458 1.00 0.00 H new ATOM 558 N LYS A 36 0.893 -5.946 13.843 1.00 0.00 N ATOM 559 CA LYS A 36 -0.051 -5.017 13.233 1.00 0.00 C ATOM 560 C LYS A 36 0.656 -4.093 12.247 1.00 0.00 C ATOM 561 O LYS A 36 0.480 -2.875 12.287 1.00 0.00 O ATOM 562 CB LYS A 36 -0.752 -4.189 14.311 1.00 0.00 C ATOM 563 CG LYS A 36 -2.004 -4.847 14.866 1.00 0.00 C ATOM 564 CD LYS A 36 -2.675 -3.975 15.914 1.00 0.00 C ATOM 565 CE LYS A 36 -2.035 -4.155 17.282 1.00 0.00 C ATOM 566 NZ LYS A 36 -0.910 -3.204 17.498 1.00 0.00 N ATOM 0 H LYS A 36 0.565 -6.911 13.888 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.795 -5.599 12.689 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.054 -4.007 15.129 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.016 -3.217 13.896 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.703 -5.044 14.053 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.746 -5.811 15.305 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.609 -2.929 15.615 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.735 -4.224 15.971 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.788 -4.009 18.057 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.670 -5.177 17.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.040 -3.736 17.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.773 -2.629 16.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.131 -2.582 18.302 1.00 0.00 H new ATOM 580 N ILE A 37 1.455 -4.680 11.362 1.00 0.00 N ATOM 581 CA ILE A 37 2.186 -3.909 10.364 1.00 0.00 C ATOM 582 C ILE A 37 1.433 -3.871 9.039 1.00 0.00 C ATOM 583 O ILE A 37 1.085 -4.911 8.480 1.00 0.00 O ATOM 584 CB ILE A 37 3.593 -4.487 10.125 1.00 0.00 C ATOM 585 CG1 ILE A 37 4.392 -4.498 11.430 1.00 0.00 C ATOM 586 CG2 ILE A 37 4.322 -3.684 9.058 1.00 0.00 C ATOM 587 CD1 ILE A 37 5.717 -5.220 11.322 1.00 0.00 C ATOM 0 H ILE A 37 1.612 -5.687 11.316 1.00 0.00 H new ATOM 0 HA ILE A 37 2.280 -2.896 10.755 1.00 0.00 H new ATOM 0 HB ILE A 37 3.493 -5.514 9.773 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.572 -3.470 11.745 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.793 -4.970 12.209 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.315 -4.105 8.901 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.759 -3.723 8.125 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.415 -2.648 9.383 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.228 -5.188 12.284 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.544 -6.258 11.038 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.335 -4.735 10.566 1.00 0.00 H new ATOM 599 N PHE A 38 1.185 -2.664 8.539 1.00 0.00 N ATOM 600 CA PHE A 38 0.474 -2.490 7.278 1.00 0.00 C ATOM 601 C PHE A 38 1.341 -1.753 6.262 1.00 0.00 C ATOM 602 O PHE A 38 2.307 -1.083 6.625 1.00 0.00 O ATOM 603 CB PHE A 38 -0.830 -1.722 7.506 1.00 0.00 C ATOM 604 CG PHE A 38 -0.627 -0.365 8.117 1.00 0.00 C ATOM 605 CD1 PHE A 38 -0.217 -0.238 9.435 1.00 0.00 C ATOM 606 CD2 PHE A 38 -0.846 0.784 7.374 1.00 0.00 C ATOM 607 CE1 PHE A 38 -0.031 1.009 10.000 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.661 2.034 7.934 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.252 2.147 9.248 1.00 0.00 C ATOM 0 H PHE A 38 1.466 -1.792 8.988 1.00 0.00 H new ATOM 0 HA PHE A 38 0.241 -3.478 6.881 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.347 -1.609 6.553 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.480 -2.310 8.154 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.041 -1.124 10.027 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.165 0.702 6.345 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.287 1.094 11.029 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.836 2.922 7.344 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.105 3.123 9.687 1.00 0.00 H new ATOM 619 N ARG A 39 0.988 -1.883 4.987 1.00 0.00 N ATOM 620 CA ARG A 39 1.734 -1.232 3.918 1.00 0.00 C ATOM 621 C ARG A 39 0.809 -0.840 2.770 1.00 0.00 C ATOM 622 O ARG A 39 0.164 -1.694 2.161 1.00 0.00 O ATOM 623 CB ARG A 39 2.840 -2.155 3.403 1.00 0.00 C ATOM 624 CG ARG A 39 3.318 -1.810 2.002 1.00 0.00 C ATOM 625 CD ARG A 39 4.220 -2.897 1.438 1.00 0.00 C ATOM 626 NE ARG A 39 4.867 -2.482 0.196 1.00 0.00 N ATOM 627 CZ ARG A 39 4.295 -2.581 -0.999 1.00 0.00 C ATOM 628 NH1 ARG A 39 3.072 -3.078 -1.113 1.00 0.00 N ATOM 629 NH2 ARG A 39 4.948 -2.182 -2.083 1.00 0.00 N ATOM 0 H ARG A 39 0.190 -2.433 4.670 1.00 0.00 H new ATOM 0 HA ARG A 39 2.185 -0.327 4.324 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.687 -2.111 4.088 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.477 -3.183 3.411 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.458 -1.673 1.346 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.857 -0.863 2.023 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.981 -3.155 2.175 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.633 -3.798 1.258 1.00 0.00 H new ATOM 0 HE ARG A 39 5.809 -2.095 0.249 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.567 -3.386 -0.282 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.635 -3.153 -2.032 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.890 -1.799 -1.999 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.508 -2.258 -3.000 1.00 0.00 H new ATOM 643 N ILE A 40 0.749 0.456 2.481 1.00 0.00 N ATOM 644 CA ILE A 40 -0.097 0.960 1.406 1.00 0.00 C ATOM 645 C ILE A 40 0.382 0.457 0.048 1.00 0.00 C ATOM 646 O ILE A 40 1.252 1.062 -0.578 1.00 0.00 O ATOM 647 CB ILE A 40 -0.128 2.500 1.389 1.00 0.00 C ATOM 648 CG1 ILE A 40 -1.009 3.026 2.524 1.00 0.00 C ATOM 649 CG2 ILE A 40 -0.629 3.005 0.044 1.00 0.00 C ATOM 650 CD1 ILE A 40 -1.064 4.536 2.595 1.00 0.00 C ATOM 0 H ILE A 40 1.276 1.176 2.976 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.104 0.587 1.595 1.00 0.00 H new ATOM 0 HB ILE A 40 0.886 2.871 1.539 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.020 2.639 2.398 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.636 2.639 3.472 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.645 4.095 0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.035 2.655 -0.746 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.636 2.628 -0.134 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.706 4.838 3.422 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.060 4.930 2.753 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.466 4.930 1.661 1.00 0.00 H new ATOM 662 N VAL A 41 -0.194 -0.653 -0.403 1.00 0.00 N ATOM 663 CA VAL A 41 0.171 -1.236 -1.688 1.00 0.00 C ATOM 664 C VAL A 41 0.364 -0.155 -2.747 1.00 0.00 C ATOM 665 O VAL A 41 1.392 -0.109 -3.422 1.00 0.00 O ATOM 666 CB VAL A 41 -0.897 -2.233 -2.176 1.00 0.00 C ATOM 667 CG1 VAL A 41 -0.502 -2.822 -3.522 1.00 0.00 C ATOM 668 CG2 VAL A 41 -1.110 -3.331 -1.145 1.00 0.00 C ATOM 0 H VAL A 41 -0.916 -1.166 0.103 1.00 0.00 H new ATOM 0 HA VAL A 41 1.111 -1.767 -1.539 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.838 -1.698 -2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.268 -3.524 -3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.405 -2.021 -4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.450 -3.343 -3.426 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.868 -4.027 -1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.174 -3.865 -0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.441 -2.889 -0.206 1.00 0.00 H new ATOM 678 N ASP A 42 -0.633 0.712 -2.886 1.00 0.00 N ATOM 679 CA ASP A 42 -0.573 1.795 -3.862 1.00 0.00 C ATOM 680 C ASP A 42 -1.156 3.080 -3.284 1.00 0.00 C ATOM 681 O ASP A 42 -2.349 3.176 -2.998 1.00 0.00 O ATOM 682 CB ASP A 42 -1.328 1.405 -5.134 1.00 0.00 C ATOM 683 CG ASP A 42 -0.448 0.670 -6.127 1.00 0.00 C ATOM 684 OD1 ASP A 42 0.712 1.092 -6.317 1.00 0.00 O ATOM 685 OD2 ASP A 42 -0.920 -0.326 -6.714 1.00 0.00 O ATOM 0 H ASP A 42 -1.492 0.686 -2.336 1.00 0.00 H new ATOM 0 HA ASP A 42 0.474 1.971 -4.109 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.178 0.775 -4.870 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.730 2.302 -5.604 1.00 0.00 H new ATOM 690 N PRO A 43 -0.295 4.093 -3.106 1.00 0.00 N ATOM 691 CA PRO A 43 -0.701 5.391 -2.560 1.00 0.00 C ATOM 692 C PRO A 43 -1.579 6.178 -3.527 1.00 0.00 C ATOM 693 O PRO A 43 -2.469 6.918 -3.111 1.00 0.00 O ATOM 694 CB PRO A 43 0.629 6.114 -2.336 1.00 0.00 C ATOM 695 CG PRO A 43 1.570 5.486 -3.305 1.00 0.00 C ATOM 696 CD PRO A 43 1.142 4.049 -3.425 1.00 0.00 C ATOM 0 HA PRO A 43 -1.300 5.283 -1.656 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.532 7.185 -2.515 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.978 5.993 -1.310 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.528 5.988 -4.272 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.599 5.559 -2.953 1.00 0.00 H new ATOM 0 HD2 PRO A 43 1.319 3.659 -4.427 1.00 0.00 H new ATOM 0 HD3 PRO A 43 1.688 3.408 -2.733 1.00 0.00 H new ATOM 704 N ASN A 44 -1.322 6.012 -4.821 1.00 0.00 N ATOM 705 CA ASN A 44 -2.089 6.708 -5.848 1.00 0.00 C ATOM 706 C ASN A 44 -3.545 6.252 -5.841 1.00 0.00 C ATOM 707 O ASN A 44 -4.463 7.068 -5.909 1.00 0.00 O ATOM 708 CB ASN A 44 -1.473 6.465 -7.227 1.00 0.00 C ATOM 709 CG ASN A 44 -1.904 7.503 -8.244 1.00 0.00 C ATOM 710 OD1 ASN A 44 -2.427 8.559 -7.887 1.00 0.00 O ATOM 711 ND2 ASN A 44 -1.685 7.207 -9.520 1.00 0.00 N ATOM 0 H ASN A 44 -0.589 5.402 -5.183 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.060 7.775 -5.628 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.386 6.472 -7.143 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.759 5.474 -7.580 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.953 7.867 -10.250 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.249 6.320 -9.770 1.00 0.00 H new ATOM 718 N GLY A 45 -3.748 4.940 -5.759 1.00 0.00 N ATOM 719 CA GLY A 45 -5.094 4.398 -5.744 1.00 0.00 C ATOM 720 C GLY A 45 -5.729 4.458 -4.369 1.00 0.00 C ATOM 721 O GLY A 45 -6.952 4.388 -4.238 1.00 0.00 O ATOM 0 H GLY A 45 -3.005 4.244 -5.703 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.713 4.951 -6.451 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.069 3.363 -6.084 1.00 0.00 H new ATOM 725 N LEU A 46 -4.898 4.587 -3.341 1.00 0.00 N ATOM 726 CA LEU A 46 -5.385 4.655 -1.967 1.00 0.00 C ATOM 727 C LEU A 46 -5.808 6.077 -1.609 1.00 0.00 C ATOM 728 O LEU A 46 -6.953 6.317 -1.229 1.00 0.00 O ATOM 729 CB LEU A 46 -4.304 4.173 -0.998 1.00 0.00 C ATOM 730 CG LEU A 46 -4.746 3.967 0.451 1.00 0.00 C ATOM 731 CD1 LEU A 46 -5.085 5.299 1.101 1.00 0.00 C ATOM 732 CD2 LEU A 46 -5.938 3.022 0.516 1.00 0.00 C ATOM 0 H LEU A 46 -3.884 4.647 -3.432 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.256 4.005 -1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.903 3.231 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.487 4.894 -1.009 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.920 3.517 1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.397 5.132 2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.207 5.944 1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.894 5.777 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.239 2.887 1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.768 3.444 -0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.661 2.058 0.090 1.00 0.00 H new ATOM 744 N ALA A 47 -4.876 7.015 -1.735 1.00 0.00 N ATOM 745 CA ALA A 47 -5.153 8.413 -1.430 1.00 0.00 C ATOM 746 C ALA A 47 -6.508 8.839 -1.985 1.00 0.00 C ATOM 747 O ALA A 47 -7.298 9.482 -1.295 1.00 0.00 O ATOM 748 CB ALA A 47 -4.050 9.304 -1.983 1.00 0.00 C ATOM 0 H ALA A 47 -3.922 6.832 -2.046 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.183 8.522 -0.346 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.271 10.345 -1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.097 9.025 -1.534 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.991 9.181 -3.064 1.00 0.00 H new ATOM 754 N ARG A 48 -6.770 8.475 -3.236 1.00 0.00 N ATOM 755 CA ARG A 48 -8.029 8.821 -3.885 1.00 0.00 C ATOM 756 C ARG A 48 -9.208 8.581 -2.946 1.00 0.00 C ATOM 757 O ARG A 48 -9.976 9.496 -2.650 1.00 0.00 O ATOM 758 CB ARG A 48 -8.208 8.005 -5.166 1.00 0.00 C ATOM 759 CG ARG A 48 -7.487 8.592 -6.368 1.00 0.00 C ATOM 760 CD ARG A 48 -8.180 8.220 -7.670 1.00 0.00 C ATOM 761 NE ARG A 48 -7.741 9.059 -8.782 1.00 0.00 N ATOM 762 CZ ARG A 48 -8.403 9.164 -9.929 1.00 0.00 C ATOM 763 NH1 ARG A 48 -9.528 8.487 -10.113 1.00 0.00 N ATOM 764 NH2 ARG A 48 -7.940 9.948 -10.894 1.00 0.00 N ATOM 0 H ARG A 48 -6.127 7.941 -3.820 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.999 9.881 -4.139 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.845 6.992 -4.995 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.271 7.929 -5.393 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.445 9.677 -6.274 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.458 8.234 -6.387 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.978 7.175 -7.903 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -9.259 8.316 -7.547 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.879 9.593 -8.672 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.887 7.884 -9.373 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -10.034 8.569 -10.995 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.075 10.471 -10.756 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.449 10.028 -11.774 1.00 0.00 H new ATOM 778 N LEU A 49 -9.345 7.343 -2.483 1.00 0.00 N ATOM 779 CA LEU A 49 -10.431 6.981 -1.578 1.00 0.00 C ATOM 780 C LEU A 49 -10.408 7.851 -0.325 1.00 0.00 C ATOM 781 O LEU A 49 -11.456 8.204 0.216 1.00 0.00 O ATOM 782 CB LEU A 49 -10.326 5.506 -1.189 1.00 0.00 C ATOM 783 CG LEU A 49 -10.421 4.501 -2.338 1.00 0.00 C ATOM 784 CD1 LEU A 49 -9.641 3.238 -2.008 1.00 0.00 C ATOM 785 CD2 LEU A 49 -11.875 4.169 -2.638 1.00 0.00 C ATOM 0 H LEU A 49 -8.718 6.574 -2.719 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.375 7.148 -2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.376 5.353 -0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.115 5.283 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.982 4.953 -3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.720 2.535 -2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.593 3.490 -1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.050 2.783 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -11.923 3.453 -3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -12.340 3.737 -1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.405 5.079 -2.919 1.00 0.00 H new ATOM 797 N TRP A 50 -9.209 8.196 0.128 1.00 0.00 N ATOM 798 CA TRP A 50 -9.050 9.027 1.316 1.00 0.00 C ATOM 799 C TRP A 50 -9.459 10.468 1.031 1.00 0.00 C ATOM 800 O TRP A 50 -9.971 11.163 1.907 1.00 0.00 O ATOM 801 CB TRP A 50 -7.602 8.982 1.806 1.00 0.00 C ATOM 802 CG TRP A 50 -7.181 10.226 2.529 1.00 0.00 C ATOM 803 CD1 TRP A 50 -6.445 11.259 2.022 1.00 0.00 C ATOM 804 CD2 TRP A 50 -7.468 10.565 3.890 1.00 0.00 C ATOM 805 NE1 TRP A 50 -6.258 12.220 2.986 1.00 0.00 N ATOM 806 CE2 TRP A 50 -6.876 11.818 4.140 1.00 0.00 C ATOM 807 CE3 TRP A 50 -8.169 9.933 4.920 1.00 0.00 C ATOM 808 CZ2 TRP A 50 -6.965 12.449 5.379 1.00 0.00 C ATOM 809 CZ3 TRP A 50 -8.255 10.559 6.149 1.00 0.00 C ATOM 810 CH2 TRP A 50 -7.657 11.807 6.370 1.00 0.00 C ATOM 0 H TRP A 50 -8.332 7.913 -0.309 1.00 0.00 H new ATOM 0 HA TRP A 50 -9.702 8.631 2.095 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -7.476 8.125 2.468 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -6.942 8.825 0.953 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -6.066 11.312 1.012 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.743 13.091 2.862 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -8.635 8.972 4.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -6.504 13.411 5.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -8.792 10.078 6.953 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -7.744 12.271 7.341 1.00 0.00 H new ATOM 821 N GLY A 51 -9.230 10.911 -0.202 1.00 0.00 N ATOM 822 CA GLY A 51 -9.581 12.267 -0.580 1.00 0.00 C ATOM 823 C GLY A 51 -10.950 12.353 -1.226 1.00 0.00 C ATOM 824 O GLY A 51 -11.505 13.441 -1.376 1.00 0.00 O ATOM 0 H GLY A 51 -8.808 10.355 -0.945 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.559 12.904 0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.832 12.654 -1.271 1.00 0.00 H new ATOM 828 N ASN A 52 -11.494 11.203 -1.610 1.00 0.00 N ATOM 829 CA ASN A 52 -12.806 11.154 -2.246 1.00 0.00 C ATOM 830 C ASN A 52 -13.917 11.339 -1.217 1.00 0.00 C ATOM 831 O ASN A 52 -14.703 12.283 -1.299 1.00 0.00 O ATOM 832 CB ASN A 52 -12.991 9.823 -2.979 1.00 0.00 C ATOM 833 CG ASN A 52 -14.243 9.803 -3.833 1.00 0.00 C ATOM 834 OD1 ASN A 52 -14.286 10.404 -4.906 1.00 0.00 O ATOM 835 ND2 ASN A 52 -15.271 9.108 -3.359 1.00 0.00 N ATOM 0 H ASN A 52 -11.048 10.293 -1.492 1.00 0.00 H new ATOM 0 HA ASN A 52 -12.863 11.970 -2.967 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.122 9.634 -3.609 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.038 9.014 -2.250 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.141 9.057 -3.890 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -15.191 8.625 -2.464 1.00 0.00 H new ATOM 842 N HIS A 53 -13.975 10.431 -0.247 1.00 0.00 N ATOM 843 CA HIS A 53 -14.989 10.495 0.800 1.00 0.00 C ATOM 844 C HIS A 53 -14.737 11.679 1.728 1.00 0.00 C ATOM 845 O HIS A 53 -15.602 12.057 2.518 1.00 0.00 O ATOM 846 CB HIS A 53 -15.003 9.195 1.604 1.00 0.00 C ATOM 847 CG HIS A 53 -14.090 9.216 2.792 1.00 0.00 C ATOM 848 ND1 HIS A 53 -14.393 8.594 3.985 1.00 0.00 N ATOM 849 CD2 HIS A 53 -12.875 9.787 2.965 1.00 0.00 C ATOM 850 CE1 HIS A 53 -13.405 8.783 4.841 1.00 0.00 C ATOM 851 NE2 HIS A 53 -12.471 9.504 4.246 1.00 0.00 N ATOM 0 H HIS A 53 -13.332 9.643 -0.164 1.00 0.00 H new ATOM 0 HA HIS A 53 -15.960 10.630 0.324 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -16.020 8.997 1.941 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.717 8.370 0.951 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -15.247 8.070 4.176 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -12.326 10.359 2.232 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -13.367 8.412 5.854 1.00 0.00 H new ATOM 860 N LYS A 54 -13.547 12.261 1.628 1.00 0.00 N ATOM 861 CA LYS A 54 -13.180 13.403 2.458 1.00 0.00 C ATOM 862 C LYS A 54 -13.620 14.711 1.808 1.00 0.00 C ATOM 863 O LYS A 54 -13.311 15.794 2.302 1.00 0.00 O ATOM 864 CB LYS A 54 -11.669 13.422 2.696 1.00 0.00 C ATOM 865 CG LYS A 54 -11.233 12.613 3.905 1.00 0.00 C ATOM 866 CD LYS A 54 -11.674 13.269 5.203 1.00 0.00 C ATOM 867 CE LYS A 54 -10.689 14.338 5.650 1.00 0.00 C ATOM 868 NZ LYS A 54 -10.879 14.703 7.082 1.00 0.00 N ATOM 0 H LYS A 54 -12.819 11.960 0.980 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.691 13.304 3.416 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.165 13.035 1.810 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.343 14.454 2.823 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.653 11.609 3.843 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.148 12.506 3.900 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.660 13.714 5.070 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.768 12.511 5.981 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.671 13.980 5.498 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.810 15.226 5.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.189 15.434 7.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.842 15.069 7.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.738 13.861 7.676 1.00 0.00 H new ATOM 882 N ASN A 55 -14.344 14.601 0.698 1.00 0.00 N ATOM 883 CA ASN A 55 -14.827 15.776 -0.018 1.00 0.00 C ATOM 884 C ASN A 55 -13.663 16.647 -0.482 1.00 0.00 C ATOM 885 O ASN A 55 -13.782 17.870 -0.562 1.00 0.00 O ATOM 886 CB ASN A 55 -15.765 16.592 0.873 1.00 0.00 C ATOM 887 CG ASN A 55 -16.953 15.783 1.356 1.00 0.00 C ATOM 888 OD1 ASN A 55 -17.249 14.714 0.822 1.00 0.00 O ATOM 889 ND2 ASN A 55 -17.640 16.290 2.373 1.00 0.00 N ATOM 0 H ASN A 55 -14.609 13.711 0.276 1.00 0.00 H new ATOM 0 HA ASN A 55 -15.376 15.435 -0.896 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.210 16.966 1.733 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -16.121 17.461 0.321 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -18.449 15.790 2.742 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -17.359 17.180 2.785 1.00 0.00 H new ATOM 896 N ARG A 56 -12.538 16.008 -0.788 1.00 0.00 N ATOM 897 CA ARG A 56 -11.353 16.724 -1.243 1.00 0.00 C ATOM 898 C ARG A 56 -11.150 16.540 -2.745 1.00 0.00 C ATOM 899 O ARG A 56 -11.625 15.568 -3.332 1.00 0.00 O ATOM 900 CB ARG A 56 -10.115 16.237 -0.488 1.00 0.00 C ATOM 901 CG ARG A 56 -9.836 17.013 0.789 1.00 0.00 C ATOM 902 CD ARG A 56 -9.359 18.426 0.488 1.00 0.00 C ATOM 903 NE ARG A 56 -10.473 19.359 0.341 1.00 0.00 N ATOM 904 CZ ARG A 56 -10.370 20.536 -0.266 1.00 0.00 C ATOM 905 NH1 ARG A 56 -9.210 20.921 -0.780 1.00 0.00 N ATOM 906 NH2 ARG A 56 -11.429 21.330 -0.361 1.00 0.00 N ATOM 0 H ARG A 56 -12.423 14.996 -0.729 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.500 17.785 -1.040 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.241 15.183 -0.242 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.248 16.310 -1.144 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.740 17.054 1.396 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.081 16.490 1.377 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.704 18.766 1.290 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.766 18.422 -0.427 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.379 19.092 0.725 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.394 20.313 -0.710 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.134 21.825 -1.246 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.323 21.037 0.032 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.349 22.234 -0.827 1.00 0.00 H new ATOM 920 N THR A 57 -10.442 17.482 -3.361 1.00 0.00 N ATOM 921 CA THR A 57 -10.178 17.425 -4.793 1.00 0.00 C ATOM 922 C THR A 57 -8.695 17.207 -5.070 1.00 0.00 C ATOM 923 O THR A 57 -7.838 17.825 -4.440 1.00 0.00 O ATOM 924 CB THR A 57 -10.636 18.715 -5.500 1.00 0.00 C ATOM 925 OG1 THR A 57 -12.017 18.965 -5.216 1.00 0.00 O ATOM 926 CG2 THR A 57 -10.432 18.609 -7.003 1.00 0.00 C ATOM 0 H THR A 57 -10.041 18.293 -2.890 1.00 0.00 H new ATOM 0 HA THR A 57 -10.746 16.582 -5.186 1.00 0.00 H new ATOM 0 HB THR A 57 -10.034 19.543 -5.126 1.00 0.00 H new ATOM 0 HG1 THR A 57 -12.300 19.787 -5.667 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.762 19.531 -7.481 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.375 18.448 -7.216 1.00 0.00 H new ATOM 0 HG23 THR A 57 -11.012 17.771 -7.391 1.00 0.00 H new ATOM 934 N ASN A 58 -8.399 16.323 -6.018 1.00 0.00 N ATOM 935 CA ASN A 58 -7.018 16.023 -6.379 1.00 0.00 C ATOM 936 C ASN A 58 -6.178 15.749 -5.135 1.00 0.00 C ATOM 937 O ASN A 58 -5.087 16.296 -4.978 1.00 0.00 O ATOM 938 CB ASN A 58 -6.413 17.183 -7.172 1.00 0.00 C ATOM 939 CG ASN A 58 -6.957 17.264 -8.585 1.00 0.00 C ATOM 940 OD1 ASN A 58 -7.561 16.315 -9.085 1.00 0.00 O ATOM 941 ND2 ASN A 58 -6.745 18.402 -9.236 1.00 0.00 N ATOM 0 H ASN A 58 -9.097 15.802 -6.550 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.017 15.128 -7.001 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.617 18.120 -6.653 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.330 17.068 -7.209 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -7.088 18.515 -10.190 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -6.239 19.163 -8.782 1.00 0.00 H new ATOM 948 N MET A 59 -6.695 14.898 -4.254 1.00 0.00 N ATOM 949 CA MET A 59 -5.991 14.550 -3.025 1.00 0.00 C ATOM 950 C MET A 59 -4.675 13.843 -3.334 1.00 0.00 C ATOM 951 O MET A 59 -4.661 12.775 -3.946 1.00 0.00 O ATOM 952 CB MET A 59 -6.868 13.658 -2.145 1.00 0.00 C ATOM 953 CG MET A 59 -6.148 13.113 -0.923 1.00 0.00 C ATOM 954 SD MET A 59 -5.355 14.407 0.050 1.00 0.00 S ATOM 955 CE MET A 59 -6.560 14.636 1.355 1.00 0.00 C ATOM 0 H MET A 59 -7.598 14.437 -4.368 1.00 0.00 H new ATOM 0 HA MET A 59 -5.770 15.473 -2.488 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.739 14.227 -1.820 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.237 12.823 -2.741 1.00 0.00 H new ATOM 0 HG2 MET A 59 -6.860 12.577 -0.296 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.396 12.391 -1.241 1.00 0.00 H new ATOM 0 HE1 MET A 59 -7.098 15.570 1.194 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.266 13.805 1.349 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.051 14.672 2.318 1.00 0.00 H new ATOM 965 N THR A 60 -3.570 14.446 -2.907 1.00 0.00 N ATOM 966 CA THR A 60 -2.249 13.875 -3.139 1.00 0.00 C ATOM 967 C THR A 60 -1.671 13.289 -1.856 1.00 0.00 C ATOM 968 O THR A 60 -1.837 13.853 -0.774 1.00 0.00 O ATOM 969 CB THR A 60 -1.272 14.928 -3.695 1.00 0.00 C ATOM 970 OG1 THR A 60 0.064 14.412 -3.681 1.00 0.00 O ATOM 971 CG2 THR A 60 -1.334 16.209 -2.878 1.00 0.00 C ATOM 0 H THR A 60 -3.564 15.330 -2.398 1.00 0.00 H new ATOM 0 HA THR A 60 -2.372 13.080 -3.875 1.00 0.00 H new ATOM 0 HB THR A 60 -1.563 15.156 -4.720 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.577 14.811 -4.415 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.635 16.937 -3.290 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.345 16.615 -2.914 1.00 0.00 H new ATOM 0 HG23 THR A 60 -1.066 15.994 -1.843 1.00 0.00 H new ATOM 979 N TYR A 61 -0.990 12.155 -1.984 1.00 0.00 N ATOM 980 CA TYR A 61 -0.388 11.492 -0.834 1.00 0.00 C ATOM 981 C TYR A 61 0.641 12.395 -0.161 1.00 0.00 C ATOM 982 O TYR A 61 0.974 12.209 1.009 1.00 0.00 O ATOM 983 CB TYR A 61 0.271 10.180 -1.263 1.00 0.00 C ATOM 984 CG TYR A 61 1.080 9.522 -0.168 1.00 0.00 C ATOM 985 CD1 TYR A 61 0.495 8.611 0.704 1.00 0.00 C ATOM 986 CD2 TYR A 61 2.429 9.812 -0.003 1.00 0.00 C ATOM 987 CE1 TYR A 61 1.230 8.008 1.706 1.00 0.00 C ATOM 988 CE2 TYR A 61 3.172 9.212 0.995 1.00 0.00 C ATOM 989 CZ TYR A 61 2.568 8.312 1.848 1.00 0.00 C ATOM 990 OH TYR A 61 3.304 7.714 2.845 1.00 0.00 O ATOM 0 H TYR A 61 -0.841 11.676 -2.872 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.179 11.276 -0.116 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.501 9.488 -1.598 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.920 10.372 -2.117 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.552 8.371 0.596 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.905 10.519 -0.667 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.760 7.302 2.375 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.220 9.446 1.107 1.00 0.00 H new ATOM 0 HH TYR A 61 3.464 8.359 3.565 1.00 0.00 H new ATOM 1000 N GLU A 62 1.140 13.373 -0.910 1.00 0.00 N ATOM 1001 CA GLU A 62 2.132 14.305 -0.386 1.00 0.00 C ATOM 1002 C GLU A 62 1.602 15.025 0.850 1.00 0.00 C ATOM 1003 O GLU A 62 2.337 15.258 1.810 1.00 0.00 O ATOM 1004 CB GLU A 62 2.520 15.326 -1.458 1.00 0.00 C ATOM 1005 CG GLU A 62 3.137 14.702 -2.698 1.00 0.00 C ATOM 1006 CD GLU A 62 3.825 15.723 -3.584 1.00 0.00 C ATOM 1007 OE1 GLU A 62 5.023 15.994 -3.355 1.00 0.00 O ATOM 1008 OE2 GLU A 62 3.168 16.250 -4.505 1.00 0.00 O ATOM 0 H GLU A 62 0.874 13.541 -1.880 1.00 0.00 H new ATOM 0 HA GLU A 62 3.016 13.734 -0.101 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.634 15.890 -1.748 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.226 16.039 -1.031 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.859 13.942 -2.397 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.360 14.195 -3.270 1.00 0.00 H new ATOM 1015 N LYS A 63 0.321 15.377 0.819 1.00 0.00 N ATOM 1016 CA LYS A 63 -0.310 16.070 1.936 1.00 0.00 C ATOM 1017 C LYS A 63 -0.981 15.079 2.882 1.00 0.00 C ATOM 1018 O LYS A 63 -1.372 15.435 3.993 1.00 0.00 O ATOM 1019 CB LYS A 63 -1.340 17.078 1.421 1.00 0.00 C ATOM 1020 CG LYS A 63 -0.819 17.962 0.302 1.00 0.00 C ATOM 1021 CD LYS A 63 -1.953 18.652 -0.438 1.00 0.00 C ATOM 1022 CE LYS A 63 -1.446 19.402 -1.660 1.00 0.00 C ATOM 1023 NZ LYS A 63 -0.814 20.699 -1.293 1.00 0.00 N ATOM 0 H LYS A 63 -0.301 15.193 0.032 1.00 0.00 H new ATOM 0 HA LYS A 63 0.466 16.602 2.486 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.219 16.538 1.067 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.665 17.708 2.249 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.143 18.711 0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.239 17.360 -0.398 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.692 17.912 -0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.457 19.347 0.233 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.723 18.783 -2.191 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.275 19.583 -2.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.482 21.179 -2.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.511 21.300 -0.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.007 20.525 -0.660 1.00 0.00 H new ATOM 1037 N MET A 64 -1.111 13.835 2.434 1.00 0.00 N ATOM 1038 CA MET A 64 -1.733 12.793 3.242 1.00 0.00 C ATOM 1039 C MET A 64 -0.776 12.300 4.323 1.00 0.00 C ATOM 1040 O MET A 64 -1.014 12.499 5.514 1.00 0.00 O ATOM 1041 CB MET A 64 -2.168 11.623 2.358 1.00 0.00 C ATOM 1042 CG MET A 64 -3.023 10.597 3.085 1.00 0.00 C ATOM 1043 SD MET A 64 -2.056 9.214 3.721 1.00 0.00 S ATOM 1044 CE MET A 64 -2.843 7.838 2.887 1.00 0.00 C ATOM 0 H MET A 64 -0.794 13.524 1.516 1.00 0.00 H new ATOM 0 HA MET A 64 -2.612 13.219 3.726 1.00 0.00 H new ATOM 0 HB2 MET A 64 -2.726 12.010 1.505 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.281 11.129 1.961 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.543 11.082 3.911 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.787 10.219 2.406 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.663 6.921 3.448 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.916 8.018 2.821 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.430 7.736 1.884 1.00 0.00 H new ATOM 1054 N SER A 65 0.307 11.655 3.900 1.00 0.00 N ATOM 1055 CA SER A 65 1.298 11.130 4.832 1.00 0.00 C ATOM 1056 C SER A 65 1.517 12.096 5.992 1.00 0.00 C ATOM 1057 O SER A 65 1.900 11.689 7.089 1.00 0.00 O ATOM 1058 CB SER A 65 2.622 10.873 4.110 1.00 0.00 C ATOM 1059 OG SER A 65 3.556 10.241 4.968 1.00 0.00 O ATOM 0 H SER A 65 0.520 11.484 2.917 1.00 0.00 H new ATOM 0 HA SER A 65 0.922 10.188 5.232 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.447 10.248 3.234 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.033 11.816 3.751 1.00 0.00 H new ATOM 0 HG SER A 65 4.393 10.086 4.483 1.00 0.00 H new ATOM 1065 N ARG A 66 1.272 13.378 5.741 1.00 0.00 N ATOM 1066 CA ARG A 66 1.444 14.403 6.764 1.00 0.00 C ATOM 1067 C ARG A 66 1.067 13.866 8.141 1.00 0.00 C ATOM 1068 O ARG A 66 1.882 13.868 9.063 1.00 0.00 O ATOM 1069 CB ARG A 66 0.593 15.631 6.433 1.00 0.00 C ATOM 1070 CG ARG A 66 1.200 16.523 5.362 1.00 0.00 C ATOM 1071 CD ARG A 66 0.803 17.977 5.558 1.00 0.00 C ATOM 1072 NE ARG A 66 0.981 18.762 4.339 1.00 0.00 N ATOM 1073 CZ ARG A 66 2.166 19.150 3.881 1.00 0.00 C ATOM 1074 NH1 ARG A 66 3.272 18.827 4.537 1.00 0.00 N ATOM 1075 NH2 ARG A 66 2.247 19.862 2.764 1.00 0.00 N ATOM 0 H ARG A 66 0.954 13.732 4.839 1.00 0.00 H new ATOM 0 HA ARG A 66 2.495 14.691 6.781 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.392 15.301 6.104 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.446 16.216 7.341 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.286 16.435 5.386 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.875 16.185 4.378 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.239 18.029 5.874 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.401 18.411 6.359 1.00 0.00 H new ATOM 0 HE ARG A 66 0.150 19.027 3.810 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.214 18.279 5.396 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.181 19.126 4.183 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.399 20.112 2.256 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.158 20.159 2.414 1.00 0.00 H new ATOM 1089 N ALA A 67 -0.173 13.406 8.272 1.00 0.00 N ATOM 1090 CA ALA A 67 -0.657 12.865 9.536 1.00 0.00 C ATOM 1091 C ALA A 67 0.263 11.762 10.049 1.00 0.00 C ATOM 1092 O ALA A 67 0.955 11.934 11.053 1.00 0.00 O ATOM 1093 CB ALA A 67 -2.076 12.339 9.376 1.00 0.00 C ATOM 0 H ALA A 67 -0.860 13.397 7.518 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.660 13.671 10.270 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.425 11.938 10.328 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.732 13.151 9.062 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.089 11.551 8.623 1.00 0.00 H new ATOM 1099 N LEU A 68 0.266 10.630 9.355 1.00 0.00 N ATOM 1100 CA LEU A 68 1.101 9.498 9.741 1.00 0.00 C ATOM 1101 C LEU A 68 2.411 9.974 10.360 1.00 0.00 C ATOM 1102 O LEU A 68 2.848 9.455 11.387 1.00 0.00 O ATOM 1103 CB LEU A 68 1.388 8.613 8.527 1.00 0.00 C ATOM 1104 CG LEU A 68 0.215 7.778 8.012 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -0.692 7.367 9.161 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -0.568 8.549 6.961 1.00 0.00 C ATOM 0 H LEU A 68 -0.300 10.471 8.522 1.00 0.00 H new ATOM 0 HA LEU A 68 0.559 8.916 10.486 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.740 9.249 7.714 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.205 7.938 8.780 1.00 0.00 H new ATOM 0 HG LEU A 68 0.612 6.875 7.549 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.521 6.774 8.776 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.124 6.775 9.879 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.082 8.258 9.654 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.399 7.939 6.606 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.955 9.470 7.398 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.087 8.792 6.124 1.00 0.00 H new ATOM 1118 N ARG A 69 3.032 10.964 9.728 1.00 0.00 N ATOM 1119 CA ARG A 69 4.292 11.511 10.216 1.00 0.00 C ATOM 1120 C ARG A 69 4.133 12.064 11.630 1.00 0.00 C ATOM 1121 O ARG A 69 4.739 11.561 12.576 1.00 0.00 O ATOM 1122 CB ARG A 69 4.792 12.612 9.279 1.00 0.00 C ATOM 1123 CG ARG A 69 6.258 12.962 9.478 1.00 0.00 C ATOM 1124 CD ARG A 69 7.162 12.075 8.636 1.00 0.00 C ATOM 1125 NE ARG A 69 8.528 12.040 9.150 1.00 0.00 N ATOM 1126 CZ ARG A 69 9.552 11.520 8.482 1.00 0.00 C ATOM 1127 NH1 ARG A 69 9.364 10.993 7.280 1.00 0.00 N ATOM 1128 NH2 ARG A 69 10.766 11.526 9.017 1.00 0.00 N ATOM 0 H ARG A 69 2.683 11.404 8.877 1.00 0.00 H new ATOM 0 HA ARG A 69 5.025 10.704 10.240 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.639 12.296 8.247 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.190 13.508 9.431 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.423 14.007 9.214 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.519 12.854 10.531 1.00 0.00 H new ATOM 0 HD2 ARG A 69 6.757 11.063 8.613 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.171 12.438 7.608 1.00 0.00 H new ATOM 0 HE ARG A 69 8.706 12.437 10.073 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.432 10.986 6.866 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.152 10.594 6.769 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.914 11.930 9.942 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.552 11.127 8.503 1.00 0.00 H new ATOM 1142 N HIS A 70 3.315 13.104 11.764 1.00 0.00 N ATOM 1143 CA HIS A 70 3.076 13.725 13.062 1.00 0.00 C ATOM 1144 C HIS A 70 2.906 12.668 14.148 1.00 0.00 C ATOM 1145 O HIS A 70 3.296 12.875 15.297 1.00 0.00 O ATOM 1146 CB HIS A 70 1.836 14.617 13.003 1.00 0.00 C ATOM 1147 CG HIS A 70 2.096 15.966 12.406 1.00 0.00 C ATOM 1148 ND1 HIS A 70 2.042 17.135 13.136 1.00 0.00 N ATOM 1149 CD2 HIS A 70 2.415 16.329 11.142 1.00 0.00 C ATOM 1150 CE1 HIS A 70 2.315 18.158 12.346 1.00 0.00 C ATOM 1151 NE2 HIS A 70 2.545 17.696 11.130 1.00 0.00 N ATOM 0 H HIS A 70 2.807 13.534 10.991 1.00 0.00 H new ATOM 0 HA HIS A 70 3.943 14.337 13.309 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.064 14.114 12.421 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.442 14.745 14.011 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.544 15.666 10.299 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.345 19.196 12.644 1.00 0.00 H new ATOM 0 HE2 HIS A 70 2.781 18.262 10.315 1.00 0.00 H new ATOM 1160 N TYR A 71 2.321 11.534 13.777 1.00 0.00 N ATOM 1161 CA TYR A 71 2.096 10.446 14.720 1.00 0.00 C ATOM 1162 C TYR A 71 3.395 9.704 15.016 1.00 0.00 C ATOM 1163 O TYR A 71 3.613 9.229 16.131 1.00 0.00 O ATOM 1164 CB TYR A 71 1.054 9.471 14.167 1.00 0.00 C ATOM 1165 CG TYR A 71 -0.306 10.097 13.952 1.00 0.00 C ATOM 1166 CD1 TYR A 71 -1.141 10.377 15.026 1.00 0.00 C ATOM 1167 CD2 TYR A 71 -0.756 10.406 12.675 1.00 0.00 C ATOM 1168 CE1 TYR A 71 -2.385 10.948 14.835 1.00 0.00 C ATOM 1169 CE2 TYR A 71 -1.997 10.978 12.473 1.00 0.00 C ATOM 1170 CZ TYR A 71 -2.808 11.247 13.556 1.00 0.00 C ATOM 1171 OH TYR A 71 -4.046 11.815 13.360 1.00 0.00 O ATOM 0 H TYR A 71 1.994 11.345 12.829 1.00 0.00 H new ATOM 0 HA TYR A 71 1.724 10.877 15.650 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.413 9.067 13.220 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.954 8.631 14.854 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.812 10.144 16.028 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.124 10.195 11.825 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.022 11.159 15.681 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.330 11.213 11.473 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.190 11.963 12.402 1.00 0.00 H new ATOM 1181 N TYR A 72 4.257 9.609 14.009 1.00 0.00 N ATOM 1182 CA TYR A 72 5.535 8.924 14.160 1.00 0.00 C ATOM 1183 C TYR A 72 6.249 9.374 15.431 1.00 0.00 C ATOM 1184 O TYR A 72 6.850 8.567 16.139 1.00 0.00 O ATOM 1185 CB TYR A 72 6.424 9.185 12.942 1.00 0.00 C ATOM 1186 CG TYR A 72 5.883 8.595 11.660 1.00 0.00 C ATOM 1187 CD1 TYR A 72 4.746 7.796 11.665 1.00 0.00 C ATOM 1188 CD2 TYR A 72 6.509 8.835 10.443 1.00 0.00 C ATOM 1189 CE1 TYR A 72 4.249 7.254 10.496 1.00 0.00 C ATOM 1190 CE2 TYR A 72 6.018 8.298 9.269 1.00 0.00 C ATOM 1191 CZ TYR A 72 4.888 7.508 9.300 1.00 0.00 C ATOM 1192 OH TYR A 72 4.396 6.971 8.133 1.00 0.00 O ATOM 0 H TYR A 72 4.094 9.998 13.080 1.00 0.00 H new ATOM 0 HA TYR A 72 5.338 7.855 14.236 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.544 10.261 12.814 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.415 8.773 13.131 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.242 7.595 12.599 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.395 9.452 10.415 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.365 6.634 10.518 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.516 8.496 8.332 1.00 0.00 H new ATOM 0 HH TYR A 72 4.424 5.993 8.186 1.00 0.00 H new ATOM 1202 N LYS A 73 6.177 10.671 15.713 1.00 0.00 N ATOM 1203 CA LYS A 73 6.814 11.232 16.899 1.00 0.00 C ATOM 1204 C LYS A 73 6.095 10.782 18.167 1.00 0.00 C ATOM 1205 O LYS A 73 6.730 10.461 19.172 1.00 0.00 O ATOM 1206 CB LYS A 73 6.826 12.760 16.822 1.00 0.00 C ATOM 1207 CG LYS A 73 7.967 13.318 15.990 1.00 0.00 C ATOM 1208 CD LYS A 73 7.601 13.391 14.517 1.00 0.00 C ATOM 1209 CE LYS A 73 8.826 13.237 13.630 1.00 0.00 C ATOM 1210 NZ LYS A 73 9.829 14.309 13.879 1.00 0.00 N ATOM 0 H LYS A 73 5.684 11.353 15.137 1.00 0.00 H new ATOM 0 HA LYS A 73 7.841 10.868 16.936 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.880 13.102 16.402 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.891 13.166 17.832 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.228 14.313 16.350 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.850 12.691 16.116 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.879 12.609 14.281 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.117 14.345 14.308 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.283 12.264 13.808 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.522 13.260 12.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.584 14.250 13.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.366 15.238 13.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.238 14.188 14.827 1.00 0.00 H new ATOM 1224 N LEU A 74 4.767 10.759 18.112 1.00 0.00 N ATOM 1225 CA LEU A 74 3.962 10.346 19.256 1.00 0.00 C ATOM 1226 C LEU A 74 4.190 8.873 19.580 1.00 0.00 C ATOM 1227 O LEU A 74 3.677 8.359 20.573 1.00 0.00 O ATOM 1228 CB LEU A 74 2.478 10.594 18.976 1.00 0.00 C ATOM 1229 CG LEU A 74 1.966 12.004 19.271 1.00 0.00 C ATOM 1230 CD1 LEU A 74 0.817 12.360 18.340 1.00 0.00 C ATOM 1231 CD2 LEU A 74 1.534 12.121 20.725 1.00 0.00 C ATOM 0 H LEU A 74 4.226 11.021 17.288 1.00 0.00 H new ATOM 0 HA LEU A 74 4.268 10.940 20.117 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.285 10.371 17.927 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.894 9.887 19.565 1.00 0.00 H new ATOM 0 HG LEU A 74 2.779 12.709 19.097 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.465 13.367 18.565 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.160 12.317 17.306 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.001 11.651 18.481 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.172 13.131 20.917 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.736 11.406 20.926 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.383 11.910 21.375 1.00 0.00 H new ATOM 1243 N ASN A 75 4.966 8.200 18.736 1.00 0.00 N ATOM 1244 CA ASN A 75 5.264 6.786 18.934 1.00 0.00 C ATOM 1245 C ASN A 75 4.026 5.930 18.689 1.00 0.00 C ATOM 1246 O ASN A 75 3.731 5.014 19.458 1.00 0.00 O ATOM 1247 CB ASN A 75 5.791 6.548 20.351 1.00 0.00 C ATOM 1248 CG ASN A 75 6.507 5.218 20.485 1.00 0.00 C ATOM 1249 OD1 ASN A 75 5.877 4.177 20.672 1.00 0.00 O ATOM 1250 ND2 ASN A 75 7.831 5.247 20.391 1.00 0.00 N ATOM 0 H ASN A 75 5.399 8.611 17.909 1.00 0.00 H new ATOM 0 HA ASN A 75 6.031 6.498 18.215 1.00 0.00 H new ATOM 0 HB2 ASN A 75 6.473 7.354 20.622 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.960 6.583 21.056 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.367 4.383 20.474 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.312 6.133 20.236 1.00 0.00 H new ATOM 1257 N ILE A 76 3.306 6.234 17.615 1.00 0.00 N ATOM 1258 CA ILE A 76 2.101 5.491 17.268 1.00 0.00 C ATOM 1259 C ILE A 76 2.300 4.686 15.988 1.00 0.00 C ATOM 1260 O ILE A 76 1.680 3.639 15.799 1.00 0.00 O ATOM 1261 CB ILE A 76 0.893 6.429 17.088 1.00 0.00 C ATOM 1262 CG1 ILE A 76 0.619 7.197 18.383 1.00 0.00 C ATOM 1263 CG2 ILE A 76 -0.335 5.637 16.667 1.00 0.00 C ATOM 1264 CD1 ILE A 76 -0.585 8.109 18.302 1.00 0.00 C ATOM 0 H ILE A 76 3.536 6.990 16.970 1.00 0.00 H new ATOM 0 HA ILE A 76 1.902 4.810 18.095 1.00 0.00 H new ATOM 0 HB ILE A 76 1.124 7.148 16.302 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.471 6.484 19.194 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.498 7.790 18.637 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.180 6.314 16.544 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.135 5.131 15.723 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.571 4.898 17.432 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.719 8.621 19.255 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.431 8.845 17.513 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.474 7.519 18.079 1.00 0.00 H new ATOM 1276 N ILE A 77 3.170 5.181 15.114 1.00 0.00 N ATOM 1277 CA ILE A 77 3.453 4.507 13.854 1.00 0.00 C ATOM 1278 C ILE A 77 4.929 4.624 13.487 1.00 0.00 C ATOM 1279 O ILE A 77 5.564 5.646 13.748 1.00 0.00 O ATOM 1280 CB ILE A 77 2.603 5.080 12.705 1.00 0.00 C ATOM 1281 CG1 ILE A 77 1.113 4.932 13.021 1.00 0.00 C ATOM 1282 CG2 ILE A 77 2.943 4.384 11.396 1.00 0.00 C ATOM 1283 CD1 ILE A 77 0.244 5.962 12.334 1.00 0.00 C ATOM 0 H ILE A 77 3.691 6.046 15.256 1.00 0.00 H new ATOM 0 HA ILE A 77 3.198 3.457 13.994 1.00 0.00 H new ATOM 0 HB ILE A 77 2.830 6.141 12.600 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.784 3.936 12.725 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.969 5.008 14.099 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.334 4.800 10.594 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.998 4.535 11.167 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.741 3.317 11.488 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.799 5.796 12.604 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.546 6.961 12.649 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.358 5.872 11.254 1.00 0.00 H new ATOM 1295 N ARG A 78 5.467 3.573 12.879 1.00 0.00 N ATOM 1296 CA ARG A 78 6.868 3.558 12.475 1.00 0.00 C ATOM 1297 C ARG A 78 7.004 3.207 10.996 1.00 0.00 C ATOM 1298 O ARG A 78 6.610 2.123 10.565 1.00 0.00 O ATOM 1299 CB ARG A 78 7.655 2.557 13.322 1.00 0.00 C ATOM 1300 CG ARG A 78 9.161 2.747 13.248 1.00 0.00 C ATOM 1301 CD ARG A 78 9.609 3.965 14.041 1.00 0.00 C ATOM 1302 NE ARG A 78 10.863 4.516 13.536 1.00 0.00 N ATOM 1303 CZ ARG A 78 11.382 5.666 13.955 1.00 0.00 C ATOM 1304 NH1 ARG A 78 10.757 6.381 14.880 1.00 0.00 N ATOM 1305 NH2 ARG A 78 12.528 6.101 13.447 1.00 0.00 N ATOM 0 H ARG A 78 4.954 2.720 12.655 1.00 0.00 H new ATOM 0 HA ARG A 78 7.276 4.556 12.633 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.337 2.644 14.361 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.409 1.546 12.997 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.660 1.858 13.632 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.464 2.858 12.207 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.834 4.730 13.999 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.730 3.691 15.089 1.00 0.00 H new ATOM 0 HE ARG A 78 11.368 3.990 12.823 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.876 6.049 15.272 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.157 7.263 15.200 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.011 5.553 12.735 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.926 6.983 13.769 1.00 0.00 H new ATOM 1319 N LYS A 79 7.564 4.132 10.223 1.00 0.00 N ATOM 1320 CA LYS A 79 7.753 3.921 8.792 1.00 0.00 C ATOM 1321 C LYS A 79 9.095 3.252 8.514 1.00 0.00 C ATOM 1322 O LYS A 79 10.133 3.911 8.487 1.00 0.00 O ATOM 1323 CB LYS A 79 7.671 5.254 8.045 1.00 0.00 C ATOM 1324 CG LYS A 79 7.655 5.103 6.533 1.00 0.00 C ATOM 1325 CD LYS A 79 7.198 6.382 5.850 1.00 0.00 C ATOM 1326 CE LYS A 79 7.367 6.298 4.341 1.00 0.00 C ATOM 1327 NZ LYS A 79 6.385 5.364 3.724 1.00 0.00 N ATOM 0 H LYS A 79 7.895 5.035 10.563 1.00 0.00 H new ATOM 0 HA LYS A 79 6.959 3.263 8.438 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.771 5.782 8.359 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.520 5.874 8.331 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.653 4.838 6.182 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.992 4.284 6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.152 6.570 6.090 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.770 7.226 6.235 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.247 7.290 3.906 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.379 5.968 4.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.890 4.658 3.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.847 4.882 4.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.731 5.899 3.118 1.00 0.00 H new ATOM 1341 N GLU A 80 9.064 1.939 8.305 1.00 0.00 N ATOM 1342 CA GLU A 80 10.279 1.182 8.028 1.00 0.00 C ATOM 1343 C GLU A 80 11.045 1.791 6.857 1.00 0.00 C ATOM 1344 O GLU A 80 10.481 2.099 5.806 1.00 0.00 O ATOM 1345 CB GLU A 80 9.938 -0.278 7.723 1.00 0.00 C ATOM 1346 CG GLU A 80 9.426 -1.048 8.930 1.00 0.00 C ATOM 1347 CD GLU A 80 9.439 -2.549 8.712 1.00 0.00 C ATOM 1348 OE1 GLU A 80 10.423 -3.057 8.136 1.00 0.00 O ATOM 1349 OE2 GLU A 80 8.464 -3.214 9.119 1.00 0.00 O ATOM 0 H GLU A 80 8.212 1.379 8.322 1.00 0.00 H new ATOM 0 HA GLU A 80 10.912 1.223 8.915 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.185 -0.310 6.936 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.826 -0.776 7.334 1.00 0.00 H new ATOM 0 HG2 GLU A 80 10.039 -0.805 9.798 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.410 -0.726 9.157 1.00 0.00 H new ATOM 1356 N PRO A 81 12.361 1.972 7.041 1.00 0.00 N ATOM 1357 CA PRO A 81 13.233 2.546 6.012 1.00 0.00 C ATOM 1358 C PRO A 81 13.428 1.606 4.827 1.00 0.00 C ATOM 1359 O PRO A 81 13.346 0.387 4.969 1.00 0.00 O ATOM 1360 CB PRO A 81 14.558 2.760 6.748 1.00 0.00 C ATOM 1361 CG PRO A 81 14.540 1.765 7.857 1.00 0.00 C ATOM 1362 CD PRO A 81 13.100 1.628 8.267 1.00 0.00 C ATOM 0 HA PRO A 81 12.814 3.458 5.586 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.409 2.600 6.086 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.639 3.778 7.130 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.945 0.808 7.529 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.153 2.101 8.693 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.872 0.616 8.603 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.851 2.300 9.088 1.00 0.00 H new ATOM 1370 N GLY A 82 13.686 2.182 3.656 1.00 0.00 N ATOM 1371 CA GLY A 82 13.889 1.380 2.464 1.00 0.00 C ATOM 1372 C GLY A 82 12.592 0.819 1.915 1.00 0.00 C ATOM 1373 O GLY A 82 12.262 1.030 0.749 1.00 0.00 O ATOM 0 H GLY A 82 13.758 3.189 3.512 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.371 1.988 1.699 1.00 0.00 H new ATOM 0 HA3 GLY A 82 14.568 0.559 2.694 1.00 0.00 H new ATOM 1377 N GLN A 83 11.857 0.100 2.758 1.00 0.00 N ATOM 1378 CA GLN A 83 10.591 -0.496 2.349 1.00 0.00 C ATOM 1379 C GLN A 83 9.694 0.539 1.677 1.00 0.00 C ATOM 1380 O GLN A 83 9.891 1.743 1.839 1.00 0.00 O ATOM 1381 CB GLN A 83 9.874 -1.102 3.557 1.00 0.00 C ATOM 1382 CG GLN A 83 8.992 -2.289 3.209 1.00 0.00 C ATOM 1383 CD GLN A 83 9.733 -3.357 2.428 1.00 0.00 C ATOM 1384 OE1 GLN A 83 10.959 -3.450 2.490 1.00 0.00 O ATOM 1385 NE2 GLN A 83 8.990 -4.172 1.688 1.00 0.00 N ATOM 0 H GLN A 83 12.116 -0.083 3.727 1.00 0.00 H new ATOM 0 HA GLN A 83 10.806 -1.286 1.629 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.617 -1.415 4.290 1.00 0.00 H new ATOM 0 HB3 GLN A 83 9.263 -0.333 4.030 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.596 -2.724 4.127 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.138 -1.944 2.626 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.977 -4.059 1.666 1.00 0.00 H new ATOM 0 HE22 GLN A 83 9.433 -4.911 1.142 1.00 0.00 H new ATOM 1394 N ARG A 84 8.710 0.061 0.923 1.00 0.00 N ATOM 1395 CA ARG A 84 7.784 0.945 0.226 1.00 0.00 C ATOM 1396 C ARG A 84 6.500 1.131 1.029 1.00 0.00 C ATOM 1397 O ARG A 84 5.830 0.160 1.384 1.00 0.00 O ATOM 1398 CB ARG A 84 7.455 0.384 -1.159 1.00 0.00 C ATOM 1399 CG ARG A 84 8.681 0.123 -2.017 1.00 0.00 C ATOM 1400 CD ARG A 84 8.297 -0.391 -3.396 1.00 0.00 C ATOM 1401 NE ARG A 84 9.452 -0.489 -4.285 1.00 0.00 N ATOM 1402 CZ ARG A 84 9.369 -0.850 -5.560 1.00 0.00 C ATOM 1403 NH1 ARG A 84 8.192 -1.147 -6.094 1.00 0.00 N ATOM 1404 NH2 ARG A 84 10.465 -0.916 -6.306 1.00 0.00 N ATOM 0 H ARG A 84 8.533 -0.933 0.779 1.00 0.00 H new ATOM 0 HA ARG A 84 8.265 1.917 0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.899 -0.546 -1.042 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.800 1.083 -1.679 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.258 1.042 -2.118 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.324 -0.605 -1.522 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.829 -1.371 -3.300 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.555 0.275 -3.837 1.00 0.00 H new ATOM 0 HE ARG A 84 10.373 -0.268 -3.905 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.347 -1.098 -5.525 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.132 -1.424 -7.074 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.373 -0.689 -5.900 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.399 -1.194 -7.285 1.00 0.00 H new ATOM 1418 N LEU A 85 6.162 2.384 1.314 1.00 0.00 N ATOM 1419 CA LEU A 85 4.959 2.698 2.076 1.00 0.00 C ATOM 1420 C LEU A 85 4.731 1.672 3.182 1.00 0.00 C ATOM 1421 O LEU A 85 3.625 1.158 3.348 1.00 0.00 O ATOM 1422 CB LEU A 85 3.742 2.745 1.150 1.00 0.00 C ATOM 1423 CG LEU A 85 3.724 3.878 0.123 1.00 0.00 C ATOM 1424 CD1 LEU A 85 3.726 5.229 0.820 1.00 0.00 C ATOM 1425 CD2 LEU A 85 4.910 3.761 -0.822 1.00 0.00 C ATOM 0 H LEU A 85 6.705 3.199 1.029 1.00 0.00 H new ATOM 0 HA LEU A 85 5.096 3.677 2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.680 1.797 0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.845 2.824 1.765 1.00 0.00 H new ATOM 0 HG LEU A 85 2.809 3.796 -0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.713 6.023 0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.843 5.313 1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.623 5.321 1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.880 4.576 -1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.837 3.816 -0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.864 2.807 -1.347 1.00 0.00 H new ATOM 1437 N LEU A 86 5.785 1.380 3.936 1.00 0.00 N ATOM 1438 CA LEU A 86 5.700 0.417 5.029 1.00 0.00 C ATOM 1439 C LEU A 86 5.485 1.125 6.363 1.00 0.00 C ATOM 1440 O LEU A 86 6.301 1.946 6.781 1.00 0.00 O ATOM 1441 CB LEU A 86 6.972 -0.431 5.087 1.00 0.00 C ATOM 1442 CG LEU A 86 6.852 -1.771 5.814 1.00 0.00 C ATOM 1443 CD1 LEU A 86 5.990 -1.628 7.058 1.00 0.00 C ATOM 1444 CD2 LEU A 86 6.280 -2.832 4.885 1.00 0.00 C ATOM 0 H LEU A 86 6.708 1.796 3.811 1.00 0.00 H new ATOM 0 HA LEU A 86 4.845 -0.233 4.843 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.304 -0.622 4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.753 0.154 5.572 1.00 0.00 H new ATOM 0 HG LEU A 86 7.849 -2.086 6.123 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.916 -2.592 7.562 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.441 -0.900 7.732 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.994 -1.290 6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.202 -3.779 5.419 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.291 -2.524 4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.937 -2.954 4.024 1.00 0.00 H new ATOM 1456 N PHE A 87 4.382 0.799 7.029 1.00 0.00 N ATOM 1457 CA PHE A 87 4.060 1.402 8.317 1.00 0.00 C ATOM 1458 C PHE A 87 3.884 0.331 9.390 1.00 0.00 C ATOM 1459 O PHE A 87 3.475 -0.793 9.099 1.00 0.00 O ATOM 1460 CB PHE A 87 2.787 2.243 8.206 1.00 0.00 C ATOM 1461 CG PHE A 87 2.755 3.124 6.989 1.00 0.00 C ATOM 1462 CD1 PHE A 87 3.753 4.059 6.768 1.00 0.00 C ATOM 1463 CD2 PHE A 87 1.726 3.017 6.067 1.00 0.00 C ATOM 1464 CE1 PHE A 87 3.725 4.871 5.650 1.00 0.00 C ATOM 1465 CE2 PHE A 87 1.693 3.826 4.947 1.00 0.00 C ATOM 1466 CZ PHE A 87 2.695 4.753 4.738 1.00 0.00 C ATOM 0 H PHE A 87 3.696 0.121 6.698 1.00 0.00 H new ATOM 0 HA PHE A 87 4.890 2.048 8.606 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.923 1.579 8.187 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.692 2.864 9.097 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.562 4.154 7.477 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.941 2.293 6.226 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.508 5.597 5.490 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.885 3.733 4.236 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.673 5.385 3.862 1.00 0.00 H new ATOM 1476 N ARG A 88 4.196 0.689 10.631 1.00 0.00 N ATOM 1477 CA ARG A 88 4.074 -0.240 11.748 1.00 0.00 C ATOM 1478 C ARG A 88 3.302 0.394 12.901 1.00 0.00 C ATOM 1479 O ARG A 88 3.757 1.364 13.507 1.00 0.00 O ATOM 1480 CB ARG A 88 5.459 -0.679 12.227 1.00 0.00 C ATOM 1481 CG ARG A 88 5.435 -1.438 13.544 1.00 0.00 C ATOM 1482 CD ARG A 88 6.780 -1.370 14.250 1.00 0.00 C ATOM 1483 NE ARG A 88 6.802 -2.182 15.464 1.00 0.00 N ATOM 1484 CZ ARG A 88 6.856 -3.509 15.459 1.00 0.00 C ATOM 1485 NH1 ARG A 88 6.892 -4.171 14.311 1.00 0.00 N ATOM 1486 NH2 ARG A 88 6.873 -4.178 16.605 1.00 0.00 N ATOM 0 H ARG A 88 4.535 1.616 10.888 1.00 0.00 H new ATOM 0 HA ARG A 88 3.523 -1.114 11.402 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.916 -1.308 11.463 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.092 0.201 12.336 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.662 -1.023 14.191 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.171 -2.480 13.360 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.563 -1.710 13.572 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.005 -0.334 14.503 1.00 0.00 H new ATOM 0 HE ARG A 88 6.774 -1.704 16.365 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.878 -3.661 13.428 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.933 -5.190 14.311 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.845 -3.673 17.491 1.00 0.00 H new ATOM 0 HH22 ARG A 88 6.914 -5.197 16.600 1.00 0.00 H new ATOM 1500 N PHE A 89 2.131 -0.160 13.198 1.00 0.00 N ATOM 1501 CA PHE A 89 1.295 0.351 14.277 1.00 0.00 C ATOM 1502 C PHE A 89 1.834 -0.085 15.637 1.00 0.00 C ATOM 1503 O PHE A 89 1.271 -0.967 16.285 1.00 0.00 O ATOM 1504 CB PHE A 89 -0.146 -0.134 14.108 1.00 0.00 C ATOM 1505 CG PHE A 89 -0.948 0.694 13.144 1.00 0.00 C ATOM 1506 CD1 PHE A 89 -0.968 2.075 13.247 1.00 0.00 C ATOM 1507 CD2 PHE A 89 -1.682 0.090 12.136 1.00 0.00 C ATOM 1508 CE1 PHE A 89 -1.704 2.840 12.361 1.00 0.00 C ATOM 1509 CE2 PHE A 89 -2.420 0.849 11.248 1.00 0.00 C ATOM 1510 CZ PHE A 89 -2.432 2.225 11.361 1.00 0.00 C ATOM 0 H PHE A 89 1.740 -0.963 12.706 1.00 0.00 H new ATOM 0 HA PHE A 89 1.312 1.440 14.231 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.135 -1.168 13.764 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.640 -0.126 15.080 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.402 2.560 14.029 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.677 -0.986 12.043 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.710 3.916 12.451 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.987 0.366 10.466 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.010 2.820 10.669 1.00 0.00 H new ATOM 1520 N MET A 90 2.928 0.540 16.061 1.00 0.00 N ATOM 1521 CA MET A 90 3.543 0.217 17.343 1.00 0.00 C ATOM 1522 C MET A 90 2.512 0.259 18.466 1.00 0.00 C ATOM 1523 O MET A 90 2.128 -0.777 19.010 1.00 0.00 O ATOM 1524 CB MET A 90 4.683 1.190 17.645 1.00 0.00 C ATOM 1525 CG MET A 90 5.773 1.198 16.585 1.00 0.00 C ATOM 1526 SD MET A 90 7.384 1.664 17.247 1.00 0.00 S ATOM 1527 CE MET A 90 7.190 3.439 17.391 1.00 0.00 C ATOM 0 H MET A 90 3.406 1.272 15.536 1.00 0.00 H new ATOM 0 HA MET A 90 3.945 -0.794 17.281 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.275 2.196 17.742 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.125 0.931 18.607 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.843 0.208 16.134 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.497 1.892 15.791 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.107 3.874 17.789 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.983 3.863 16.409 1.00 0.00 H new ATOM 0 HE3 MET A 90 6.362 3.661 18.064 1.00 0.00 H new ATOM 1537 N LYS A 91 2.067 1.463 18.811 1.00 0.00 N ATOM 1538 CA LYS A 91 1.080 1.641 19.869 1.00 0.00 C ATOM 1539 C LYS A 91 -0.268 1.057 19.459 1.00 0.00 C ATOM 1540 O LYS A 91 -0.533 0.850 18.274 1.00 0.00 O ATOM 1541 CB LYS A 91 0.924 3.126 20.204 1.00 0.00 C ATOM 1542 CG LYS A 91 0.550 3.386 21.653 1.00 0.00 C ATOM 1543 CD LYS A 91 1.782 3.549 22.527 1.00 0.00 C ATOM 1544 CE LYS A 91 1.494 3.177 23.973 1.00 0.00 C ATOM 1545 NZ LYS A 91 2.744 2.921 24.740 1.00 0.00 N ATOM 0 H LYS A 91 2.375 2.331 18.372 1.00 0.00 H new ATOM 0 HA LYS A 91 1.432 1.110 20.754 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.859 3.640 19.981 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.160 3.558 19.557 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.063 4.285 21.716 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.056 2.561 22.027 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.587 2.923 22.143 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.130 4.581 22.478 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.934 3.981 24.450 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.863 2.289 24.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.504 2.671 25.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.267 2.137 24.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.335 3.777 24.736 1.00 0.00 H new ATOM 1559 N THR A 92 -1.119 0.794 20.446 1.00 0.00 N ATOM 1560 CA THR A 92 -2.439 0.234 20.188 1.00 0.00 C ATOM 1561 C THR A 92 -3.434 1.325 19.807 1.00 0.00 C ATOM 1562 O THR A 92 -3.426 2.426 20.359 1.00 0.00 O ATOM 1563 CB THR A 92 -2.976 -0.528 21.414 1.00 0.00 C ATOM 1564 OG1 THR A 92 -4.208 -1.179 21.086 1.00 0.00 O ATOM 1565 CG2 THR A 92 -3.193 0.416 22.587 1.00 0.00 C ATOM 0 H THR A 92 -0.917 0.960 21.432 1.00 0.00 H new ATOM 0 HA THR A 92 -2.330 -0.462 19.356 1.00 0.00 H new ATOM 0 HB THR A 92 -2.236 -1.275 21.701 1.00 0.00 H new ATOM 0 HG1 THR A 92 -4.541 -1.662 21.871 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.572 -0.146 23.441 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.247 0.888 22.854 1.00 0.00 H new ATOM 0 HG23 THR A 92 -3.915 1.183 22.308 1.00 0.00 H new ATOM 1573 N PRO A 93 -4.312 1.015 18.842 1.00 0.00 N ATOM 1574 CA PRO A 93 -5.331 1.956 18.366 1.00 0.00 C ATOM 1575 C PRO A 93 -6.416 2.211 19.407 1.00 0.00 C ATOM 1576 O PRO A 93 -7.025 3.280 19.433 1.00 0.00 O ATOM 1577 CB PRO A 93 -5.919 1.253 17.141 1.00 0.00 C ATOM 1578 CG PRO A 93 -5.675 -0.197 17.383 1.00 0.00 C ATOM 1579 CD PRO A 93 -4.379 -0.278 18.140 1.00 0.00 C ATOM 0 HA PRO A 93 -4.910 2.938 18.149 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.983 1.463 17.037 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.436 1.588 16.223 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.490 -0.640 17.956 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.612 -0.744 16.443 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.373 -1.115 18.838 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.530 -0.416 17.470 1.00 0.00 H new ATOM 1587 N ASP A 94 -6.651 1.222 20.263 1.00 0.00 N ATOM 1588 CA ASP A 94 -7.662 1.340 21.308 1.00 0.00 C ATOM 1589 C ASP A 94 -7.191 2.277 22.416 1.00 0.00 C ATOM 1590 O ASP A 94 -7.992 2.752 23.221 1.00 0.00 O ATOM 1591 CB ASP A 94 -7.987 -0.036 21.890 1.00 0.00 C ATOM 1592 CG ASP A 94 -9.440 -0.161 22.303 1.00 0.00 C ATOM 1593 OD1 ASP A 94 -9.991 0.823 22.838 1.00 0.00 O ATOM 1594 OD2 ASP A 94 -10.026 -1.244 22.093 1.00 0.00 O ATOM 0 H ASP A 94 -6.156 0.330 20.254 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.564 1.759 20.862 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.755 -0.804 21.152 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -7.349 -0.222 22.754 1.00 0.00 H new ATOM 1599 N GLU A 95 -5.888 2.537 22.451 1.00 0.00 N ATOM 1600 CA GLU A 95 -5.312 3.415 23.462 1.00 0.00 C ATOM 1601 C GLU A 95 -5.714 4.866 23.216 1.00 0.00 C ATOM 1602 O GLU A 95 -5.896 5.640 24.157 1.00 0.00 O ATOM 1603 CB GLU A 95 -3.787 3.291 23.468 1.00 0.00 C ATOM 1604 CG GLU A 95 -3.077 4.533 23.983 1.00 0.00 C ATOM 1605 CD GLU A 95 -3.687 5.064 25.265 1.00 0.00 C ATOM 1606 OE1 GLU A 95 -4.120 4.242 26.100 1.00 0.00 O ATOM 1607 OE2 GLU A 95 -3.733 6.300 25.434 1.00 0.00 O ATOM 0 H GLU A 95 -5.212 2.152 21.791 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.698 3.109 24.434 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.503 2.438 24.085 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.444 3.080 22.455 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.026 4.301 24.154 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.112 5.310 23.219 1.00 0.00 H new ATOM 1614 N ILE A 96 -5.852 5.228 21.944 1.00 0.00 N ATOM 1615 CA ILE A 96 -6.233 6.585 21.574 1.00 0.00 C ATOM 1616 C ILE A 96 -7.749 6.730 21.502 1.00 0.00 C ATOM 1617 O ILE A 96 -8.316 7.695 22.015 1.00 0.00 O ATOM 1618 CB ILE A 96 -5.625 6.991 20.218 1.00 0.00 C ATOM 1619 CG1 ILE A 96 -4.101 7.072 20.323 1.00 0.00 C ATOM 1620 CG2 ILE A 96 -6.202 8.320 19.755 1.00 0.00 C ATOM 1621 CD1 ILE A 96 -3.402 5.768 20.007 1.00 0.00 C ATOM 0 H ILE A 96 -5.706 4.600 21.153 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.844 7.244 22.350 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.880 6.231 19.479 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -3.739 7.843 19.643 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.831 7.384 21.332 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.762 8.593 18.796 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.283 8.229 19.646 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.975 9.091 20.491 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.324 5.901 20.102 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.735 4.998 20.703 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.642 5.464 18.988 1.00 0.00 H new ATOM 1633 N MET A 97 -8.401 5.764 20.863 1.00 0.00 N ATOM 1634 CA MET A 97 -9.853 5.782 20.727 1.00 0.00 C ATOM 1635 C MET A 97 -10.510 6.332 21.989 1.00 0.00 C ATOM 1636 O MET A 97 -11.512 7.043 21.918 1.00 0.00 O ATOM 1637 CB MET A 97 -10.377 4.375 20.436 1.00 0.00 C ATOM 1638 CG MET A 97 -10.147 3.925 19.002 1.00 0.00 C ATOM 1639 SD MET A 97 -10.510 2.176 18.756 1.00 0.00 S ATOM 1640 CE MET A 97 -10.324 2.038 16.980 1.00 0.00 C ATOM 0 H MET A 97 -7.947 4.959 20.431 1.00 0.00 H new ATOM 0 HA MET A 97 -10.107 6.435 19.892 1.00 0.00 H new ATOM 0 HB2 MET A 97 -9.894 3.669 21.112 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.445 4.342 20.652 1.00 0.00 H new ATOM 0 HG2 MET A 97 -10.771 4.519 18.334 1.00 0.00 H new ATOM 0 HG3 MET A 97 -9.111 4.119 18.726 1.00 0.00 H new ATOM 0 HE1 MET A 97 -10.517 1.010 16.673 1.00 0.00 H new ATOM 0 HE2 MET A 97 -11.033 2.704 16.487 1.00 0.00 H new ATOM 0 HE3 MET A 97 -9.309 2.316 16.698 1.00 0.00 H new ATOM 1650 N SER A 98 -9.940 5.997 23.142 1.00 0.00 N ATOM 1651 CA SER A 98 -10.474 6.454 24.419 1.00 0.00 C ATOM 1652 C SER A 98 -9.432 7.264 25.185 1.00 0.00 C ATOM 1653 O SER A 98 -8.508 6.707 25.777 1.00 0.00 O ATOM 1654 CB SER A 98 -10.928 5.261 25.262 1.00 0.00 C ATOM 1655 OG SER A 98 -11.750 5.680 26.338 1.00 0.00 O ATOM 0 H SER A 98 -9.109 5.411 23.218 1.00 0.00 H new ATOM 0 HA SER A 98 -11.332 7.095 24.217 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.475 4.556 24.636 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.057 4.733 25.650 1.00 0.00 H new ATOM 0 HG SER A 98 -12.028 4.899 26.860 1.00 0.00 H new ATOM 1661 N GLY A 99 -9.589 8.584 25.168 1.00 0.00 N ATOM 1662 CA GLY A 99 -8.655 9.451 25.863 1.00 0.00 C ATOM 1663 C GLY A 99 -9.336 10.651 26.492 1.00 0.00 C ATOM 1664 O GLY A 99 -10.504 10.581 26.874 1.00 0.00 O ATOM 0 H GLY A 99 -10.346 9.068 24.686 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.142 8.881 26.638 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.893 9.795 25.163 1.00 0.00 H new ATOM 1668 N ARG A 100 -8.604 11.755 26.600 1.00 0.00 N ATOM 1669 CA ARG A 100 -9.143 12.974 27.190 1.00 0.00 C ATOM 1670 C ARG A 100 -9.253 14.081 26.144 1.00 0.00 C ATOM 1671 O ARG A 100 -8.996 13.860 24.960 1.00 0.00 O ATOM 1672 CB ARG A 100 -8.260 13.439 28.349 1.00 0.00 C ATOM 1673 CG ARG A 100 -8.533 12.708 29.654 1.00 0.00 C ATOM 1674 CD ARG A 100 -8.196 13.573 30.858 1.00 0.00 C ATOM 1675 NE ARG A 100 -8.606 12.948 32.113 1.00 0.00 N ATOM 1676 CZ ARG A 100 -7.967 11.924 32.666 1.00 0.00 C ATOM 1677 NH1 ARG A 100 -6.894 11.412 32.080 1.00 0.00 N ATOM 1678 NH2 ARG A 100 -8.401 11.409 33.810 1.00 0.00 N ATOM 0 H ARG A 100 -7.636 11.830 26.287 1.00 0.00 H new ATOM 0 HA ARG A 100 -10.141 12.754 27.569 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.214 13.300 28.076 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -8.410 14.508 28.503 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.582 12.417 29.696 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -7.946 11.790 29.688 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -7.123 13.761 30.880 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -8.687 14.541 30.758 1.00 0.00 H new ATOM 0 HE ARG A 100 -9.428 13.318 32.590 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.557 11.805 31.201 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -6.406 10.625 32.508 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.226 11.800 34.265 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -7.909 10.622 34.234 1.00 0.00 H new ATOM 1692 N THR A 101 -9.637 15.273 26.590 1.00 0.00 N ATOM 1693 CA THR A 101 -9.783 16.413 25.694 1.00 0.00 C ATOM 1694 C THR A 101 -8.490 16.683 24.933 1.00 0.00 C ATOM 1695 O THR A 101 -8.497 17.341 23.892 1.00 0.00 O ATOM 1696 CB THR A 101 -10.187 17.684 26.464 1.00 0.00 C ATOM 1697 OG1 THR A 101 -10.174 18.815 25.585 1.00 0.00 O ATOM 1698 CG2 THR A 101 -9.244 17.933 27.632 1.00 0.00 C ATOM 0 H THR A 101 -9.852 15.474 27.567 1.00 0.00 H new ATOM 0 HA THR A 101 -10.572 16.160 24.986 1.00 0.00 H new ATOM 0 HB THR A 101 -11.194 17.540 26.855 1.00 0.00 H new ATOM 0 HG1 THR A 101 -10.434 19.619 26.082 1.00 0.00 H new ATOM 0 HG21 THR A 101 -9.550 18.836 28.160 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.278 17.084 28.315 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.228 18.058 27.259 1.00 0.00 H new ATOM 1706 N ASP A 102 -7.383 16.170 25.457 1.00 0.00 N ATOM 1707 CA ASP A 102 -6.081 16.355 24.825 1.00 0.00 C ATOM 1708 C ASP A 102 -5.656 15.094 24.078 1.00 0.00 C ATOM 1709 O ASP A 102 -4.720 14.406 24.485 1.00 0.00 O ATOM 1710 CB ASP A 102 -5.029 16.721 25.873 1.00 0.00 C ATOM 1711 CG ASP A 102 -4.999 18.207 26.169 1.00 0.00 C ATOM 1712 OD1 ASP A 102 -4.619 18.985 25.268 1.00 0.00 O ATOM 1713 OD2 ASP A 102 -5.357 18.594 27.301 1.00 0.00 O ATOM 0 H ASP A 102 -7.360 15.623 26.318 1.00 0.00 H new ATOM 0 HA ASP A 102 -6.166 17.170 24.107 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -5.232 16.174 26.794 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -4.047 16.403 25.524 1.00 0.00 H new ATOM 1718 N ARG A 103 -6.351 14.798 22.985 1.00 0.00 N ATOM 1719 CA ARG A 103 -6.047 13.619 22.182 1.00 0.00 C ATOM 1720 C ARG A 103 -5.672 14.014 20.757 1.00 0.00 C ATOM 1721 O ARG A 103 -5.561 15.199 20.438 1.00 0.00 O ATOM 1722 CB ARG A 103 -7.245 12.668 22.161 1.00 0.00 C ATOM 1723 CG ARG A 103 -7.222 11.635 23.275 1.00 0.00 C ATOM 1724 CD ARG A 103 -6.123 10.606 23.059 1.00 0.00 C ATOM 1725 NE ARG A 103 -5.827 9.857 24.277 1.00 0.00 N ATOM 1726 CZ ARG A 103 -5.121 10.348 25.289 1.00 0.00 C ATOM 1727 NH1 ARG A 103 -4.641 11.582 25.229 1.00 0.00 N ATOM 1728 NH2 ARG A 103 -4.894 9.604 26.364 1.00 0.00 N ATOM 0 H ARG A 103 -7.128 15.358 22.635 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.196 13.111 22.635 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -8.163 13.251 22.237 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -7.273 12.154 21.200 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -7.071 12.134 24.232 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -8.188 11.132 23.326 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -6.424 9.914 22.272 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -5.219 11.108 22.714 1.00 0.00 H new ATOM 0 HE ARG A 103 -6.182 8.904 24.355 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -4.814 12.157 24.404 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -4.099 11.957 26.008 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -5.262 8.654 26.414 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -4.352 9.982 27.141 1.00 0.00 H new ATOM 1742 N LEU A 104 -5.477 13.014 19.904 1.00 0.00 N ATOM 1743 CA LEU A 104 -5.114 13.256 18.512 1.00 0.00 C ATOM 1744 C LEU A 104 -6.353 13.522 17.664 1.00 0.00 C ATOM 1745 O LEU A 104 -6.929 12.601 17.085 1.00 0.00 O ATOM 1746 CB LEU A 104 -4.344 12.060 17.950 1.00 0.00 C ATOM 1747 CG LEU A 104 -3.160 11.571 18.786 1.00 0.00 C ATOM 1748 CD1 LEU A 104 -3.606 10.496 19.765 1.00 0.00 C ATOM 1749 CD2 LEU A 104 -2.051 11.047 17.884 1.00 0.00 C ATOM 0 H LEU A 104 -5.564 12.028 20.152 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.477 14.140 18.477 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.041 11.231 17.824 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.978 12.323 16.957 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.770 12.414 19.357 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.751 10.160 20.351 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.365 10.904 20.432 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.022 9.652 19.214 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.217 10.703 18.495 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.429 10.217 17.287 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.712 11.845 17.223 1.00 0.00 H new ATOM 1761 N GLU A 105 -6.757 14.787 17.594 1.00 0.00 N ATOM 1762 CA GLU A 105 -7.927 15.173 16.815 1.00 0.00 C ATOM 1763 C GLU A 105 -7.618 16.376 15.929 1.00 0.00 C ATOM 1764 O GLU A 105 -7.793 16.325 14.711 1.00 0.00 O ATOM 1765 CB GLU A 105 -9.100 15.496 17.742 1.00 0.00 C ATOM 1766 CG GLU A 105 -8.676 15.885 19.148 1.00 0.00 C ATOM 1767 CD GLU A 105 -9.856 16.105 20.075 1.00 0.00 C ATOM 1768 OE1 GLU A 105 -10.897 16.605 19.599 1.00 0.00 O ATOM 1769 OE2 GLU A 105 -9.739 15.778 21.274 1.00 0.00 O ATOM 0 H GLU A 105 -6.291 15.561 18.067 1.00 0.00 H new ATOM 0 HA GLU A 105 -8.199 14.333 16.175 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.681 16.310 17.309 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.758 14.629 17.797 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.037 15.104 19.559 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.079 16.796 19.104 1.00 0.00 H new ATOM 1776 N HIS A 106 -7.157 17.457 16.549 1.00 0.00 N ATOM 1777 CA HIS A 106 -6.824 18.674 15.817 1.00 0.00 C ATOM 1778 C HIS A 106 -6.070 18.346 14.532 1.00 0.00 C ATOM 1779 O HIS A 106 -6.072 19.129 13.581 1.00 0.00 O ATOM 1780 CB HIS A 106 -5.983 19.606 16.691 1.00 0.00 C ATOM 1781 CG HIS A 106 -6.797 20.598 17.463 1.00 0.00 C ATOM 1782 ND1 HIS A 106 -6.582 21.959 17.402 1.00 0.00 N ATOM 1783 CD2 HIS A 106 -7.832 20.421 18.317 1.00 0.00 C ATOM 1784 CE1 HIS A 106 -7.448 22.575 18.186 1.00 0.00 C ATOM 1785 NE2 HIS A 106 -8.219 21.664 18.752 1.00 0.00 N ATOM 0 H HIS A 106 -7.005 17.515 17.556 1.00 0.00 H new ATOM 0 HA HIS A 106 -7.755 19.176 15.554 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -5.398 19.007 17.389 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -5.275 20.142 16.059 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -8.272 19.477 18.603 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -7.514 23.642 18.338 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -8.978 21.853 19.406 1.00 0.00 H new ATOM 1794 N LEU A 107 -5.426 17.184 14.510 1.00 0.00 N ATOM 1795 CA LEU A 107 -4.667 16.752 13.342 1.00 0.00 C ATOM 1796 C LEU A 107 -5.562 16.008 12.355 1.00 0.00 C ATOM 1797 O LEU A 107 -5.082 15.220 11.541 1.00 0.00 O ATOM 1798 CB LEU A 107 -3.503 15.856 13.768 1.00 0.00 C ATOM 1799 CG LEU A 107 -2.233 16.576 14.224 1.00 0.00 C ATOM 1800 CD1 LEU A 107 -2.525 17.465 15.423 1.00 0.00 C ATOM 1801 CD2 LEU A 107 -1.140 15.571 14.557 1.00 0.00 C ATOM 0 H LEU A 107 -5.414 16.524 15.288 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.272 17.640 12.848 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.844 15.213 14.580 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.247 15.205 12.932 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.882 17.206 13.407 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.610 17.969 15.734 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.274 18.208 15.151 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.900 16.855 16.245 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -0.244 16.101 14.879 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -1.481 14.915 15.358 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.911 14.976 13.673 1.00 0.00 H new ATOM 1813 N GLU A 108 -6.863 16.266 12.435 1.00 0.00 N ATOM 1814 CA GLU A 108 -7.824 15.621 11.548 1.00 0.00 C ATOM 1815 C GLU A 108 -7.894 16.342 10.205 1.00 0.00 C ATOM 1816 O GLU A 108 -8.032 15.712 9.156 1.00 0.00 O ATOM 1817 CB GLU A 108 -9.210 15.591 12.196 1.00 0.00 C ATOM 1818 CG GLU A 108 -9.891 16.949 12.238 1.00 0.00 C ATOM 1819 CD GLU A 108 -9.300 17.866 13.291 1.00 0.00 C ATOM 1820 OE1 GLU A 108 -8.304 18.555 12.985 1.00 0.00 O ATOM 1821 OE2 GLU A 108 -9.833 17.895 14.420 1.00 0.00 O ATOM 0 H GLU A 108 -7.276 16.916 13.104 1.00 0.00 H new ATOM 0 HA GLU A 108 -7.490 14.598 11.375 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.843 14.893 11.648 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -9.119 15.208 13.212 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.807 17.423 11.260 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.954 16.812 12.436 1.00 0.00 H new ATOM 1828 N SER A 109 -7.799 17.667 10.246 1.00 0.00 N ATOM 1829 CA SER A 109 -7.856 18.475 9.033 1.00 0.00 C ATOM 1830 C SER A 109 -6.538 19.210 8.808 1.00 0.00 C ATOM 1831 O SER A 109 -6.135 19.448 7.670 1.00 0.00 O ATOM 1832 CB SER A 109 -9.006 19.481 9.119 1.00 0.00 C ATOM 1833 OG SER A 109 -9.041 20.314 7.973 1.00 0.00 O ATOM 0 H SER A 109 -7.682 18.204 11.105 1.00 0.00 H new ATOM 0 HA SER A 109 -8.029 17.808 8.189 1.00 0.00 H new ATOM 0 HB2 SER A 109 -9.952 18.949 9.215 1.00 0.00 H new ATOM 0 HB3 SER A 109 -8.892 20.093 10.014 1.00 0.00 H new ATOM 0 HG SER A 109 -9.785 20.947 8.051 1.00 0.00 H new ATOM 1839 N GLN A 110 -5.873 19.568 9.902 1.00 0.00 N ATOM 1840 CA GLN A 110 -4.601 20.277 9.825 1.00 0.00 C ATOM 1841 C GLN A 110 -3.716 19.688 8.732 1.00 0.00 C ATOM 1842 O GLN A 110 -2.863 20.377 8.173 1.00 0.00 O ATOM 1843 CB GLN A 110 -3.878 20.218 11.171 1.00 0.00 C ATOM 1844 CG GLN A 110 -2.488 20.833 11.142 1.00 0.00 C ATOM 1845 CD GLN A 110 -2.038 21.323 12.504 1.00 0.00 C ATOM 1846 OE1 GLN A 110 -0.995 20.909 13.012 1.00 0.00 O ATOM 1847 NE2 GLN A 110 -2.823 22.209 13.104 1.00 0.00 N ATOM 0 H GLN A 110 -6.194 19.379 10.852 1.00 0.00 H new ATOM 0 HA GLN A 110 -4.808 21.318 9.578 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -4.479 20.734 11.920 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -3.800 19.178 11.487 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -1.776 20.095 10.772 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -2.478 21.666 10.439 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -3.678 22.525 12.647 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -2.571 22.574 14.022 1.00 0.00 H new ATOM 1856 N GLU A 111 -3.923 18.409 8.433 1.00 0.00 N ATOM 1857 CA GLU A 111 -3.142 17.728 7.408 1.00 0.00 C ATOM 1858 C GLU A 111 -3.590 18.151 6.012 1.00 0.00 C ATOM 1859 O GLU A 111 -2.767 18.483 5.157 1.00 0.00 O ATOM 1860 CB GLU A 111 -3.272 16.211 7.559 1.00 0.00 C ATOM 1861 CG GLU A 111 -2.276 15.609 8.536 1.00 0.00 C ATOM 1862 CD GLU A 111 -2.117 16.441 9.794 1.00 0.00 C ATOM 1863 OE1 GLU A 111 -1.518 17.533 9.711 1.00 0.00 O ATOM 1864 OE2 GLU A 111 -2.592 15.998 10.861 1.00 0.00 O ATOM 0 H GLU A 111 -4.625 17.824 8.886 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.097 18.010 7.537 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.283 15.973 7.890 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.138 15.744 6.583 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -2.601 14.605 8.808 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -1.307 15.509 8.046 1.00 0.00 H new ATOM 1871 N LEU A 112 -4.899 18.137 5.787 1.00 0.00 N ATOM 1872 CA LEU A 112 -5.458 18.519 4.495 1.00 0.00 C ATOM 1873 C LEU A 112 -5.564 20.036 4.374 1.00 0.00 C ATOM 1874 O LEU A 112 -4.870 20.654 3.567 1.00 0.00 O ATOM 1875 CB LEU A 112 -6.837 17.884 4.306 1.00 0.00 C ATOM 1876 CG LEU A 112 -7.599 17.540 5.587 1.00 0.00 C ATOM 1877 CD1 LEU A 112 -9.092 17.447 5.311 1.00 0.00 C ATOM 1878 CD2 LEU A 112 -7.082 16.239 6.182 1.00 0.00 C ATOM 0 H LEU A 112 -5.594 17.865 6.483 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.787 18.157 3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.450 18.564 3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.718 16.972 3.722 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.433 18.338 6.311 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.618 17.202 6.234 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.452 18.403 4.931 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.277 16.669 4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.636 16.010 7.093 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.217 15.431 5.463 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.023 16.342 6.418 1.00 0.00 H new ATOM 1890 N SER A 113 -6.435 20.630 5.183 1.00 0.00 N ATOM 1891 CA SER A 113 -6.633 22.074 5.166 1.00 0.00 C ATOM 1892 C SER A 113 -5.375 22.800 5.633 1.00 0.00 C ATOM 1893 O SER A 113 -5.222 23.103 6.816 1.00 0.00 O ATOM 1894 CB SER A 113 -7.817 22.459 6.054 1.00 0.00 C ATOM 1895 OG SER A 113 -8.235 23.789 5.800 1.00 0.00 O ATOM 0 H SER A 113 -7.015 20.133 5.859 1.00 0.00 H new ATOM 0 HA SER A 113 -6.846 22.374 4.140 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.646 21.774 5.877 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.537 22.357 7.103 1.00 0.00 H new ATOM 0 HG SER A 113 -8.994 24.010 6.379 1.00 0.00 H new ATOM 1901 N GLY A 114 -4.475 23.077 4.694 1.00 0.00 N ATOM 1902 CA GLY A 114 -3.242 23.765 5.027 1.00 0.00 C ATOM 1903 C GLY A 114 -2.885 24.838 4.018 1.00 0.00 C ATOM 1904 O GLY A 114 -3.746 25.381 3.326 1.00 0.00 O ATOM 0 H GLY A 114 -4.578 22.837 3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -3.337 24.217 6.014 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.430 23.040 5.085 1.00 0.00 H new ATOM 1908 N PRO A 115 -1.586 25.158 3.924 1.00 0.00 N ATOM 1909 CA PRO A 115 -1.087 26.177 2.995 1.00 0.00 C ATOM 1910 C PRO A 115 -1.183 25.731 1.540 1.00 0.00 C ATOM 1911 O PRO A 115 -1.208 24.535 1.247 1.00 0.00 O ATOM 1912 CB PRO A 115 0.378 26.346 3.407 1.00 0.00 C ATOM 1913 CG PRO A 115 0.744 25.049 4.042 1.00 0.00 C ATOM 1914 CD PRO A 115 -0.504 24.551 4.717 1.00 0.00 C ATOM 0 HA PRO A 115 -1.668 27.098 3.049 1.00 0.00 H new ATOM 0 HB2 PRO A 115 1.010 26.557 2.544 1.00 0.00 H new ATOM 0 HB3 PRO A 115 0.501 27.176 4.103 1.00 0.00 H new ATOM 0 HG2 PRO A 115 1.096 24.335 3.297 1.00 0.00 H new ATOM 0 HG3 PRO A 115 1.551 25.181 4.763 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -0.560 23.462 4.706 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -0.548 24.862 5.761 1.00 0.00 H new ATOM 1922 N SER A 116 -1.236 26.699 0.631 1.00 0.00 N ATOM 1923 CA SER A 116 -1.332 26.406 -0.794 1.00 0.00 C ATOM 1924 C SER A 116 0.054 26.285 -1.419 1.00 0.00 C ATOM 1925 O SER A 116 0.905 27.158 -1.243 1.00 0.00 O ATOM 1926 CB SER A 116 -2.133 27.497 -1.508 1.00 0.00 C ATOM 1927 OG SER A 116 -3.387 27.701 -0.882 1.00 0.00 O ATOM 0 H SER A 116 -1.214 27.694 0.856 1.00 0.00 H new ATOM 0 HA SER A 116 -1.847 25.453 -0.909 1.00 0.00 H new ATOM 0 HB2 SER A 116 -1.567 28.428 -1.507 1.00 0.00 H new ATOM 0 HB3 SER A 116 -2.285 27.218 -2.551 1.00 0.00 H new ATOM 0 HG SER A 116 -3.879 28.404 -1.356 1.00 0.00 H new ATOM 1933 N SER A 117 0.275 25.197 -2.150 1.00 0.00 N ATOM 1934 CA SER A 117 1.559 24.959 -2.799 1.00 0.00 C ATOM 1935 C SER A 117 2.710 25.423 -1.912 1.00 0.00 C ATOM 1936 O SER A 117 3.652 26.061 -2.381 1.00 0.00 O ATOM 1937 CB SER A 117 1.615 25.681 -4.146 1.00 0.00 C ATOM 1938 OG SER A 117 1.358 27.066 -3.994 1.00 0.00 O ATOM 0 H SER A 117 -0.419 24.466 -2.308 1.00 0.00 H new ATOM 0 HA SER A 117 1.661 23.887 -2.965 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.596 25.538 -4.598 1.00 0.00 H new ATOM 0 HB3 SER A 117 0.884 25.245 -4.826 1.00 0.00 H new ATOM 0 HG SER A 117 1.401 27.505 -4.869 1.00 0.00 H new ATOM 1944 N GLY A 118 2.626 25.098 -0.625 1.00 0.00 N ATOM 1945 CA GLY A 118 3.666 25.490 0.308 1.00 0.00 C ATOM 1946 C GLY A 118 4.695 24.397 0.522 1.00 0.00 C ATOM 1947 O GLY A 118 4.497 23.258 0.099 1.00 0.00 O ATOM 0 H GLY A 118 1.857 24.571 -0.212 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.164 26.386 -0.063 1.00 0.00 H new ATOM 0 HA3 GLY A 118 3.213 25.750 1.264 1.00 0.00 H new TER 1951 GLY A 118