USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1082 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 117 SER OG : rot 180:sc= 0.597 USER MOD Set 1.2: A 118 GLN : amide:sc= -0.142 K(o=-0.49,f=-1) USER MOD Set 1.3: A 121 LYS NZ :NH3+ -110:sc= -0.941 (180deg=-3.73!) USER MOD Set 2.1: A 18 ASN : amide:sc= -0.38 X(o=-0.25,f=-0.53) USER MOD Set 2.2: A 95 TYR OH : rot -140:sc= 0.132 USER MOD Set 3.1: A 15 THR OG1 : rot 180:sc= 0.544 USER MOD Set 3.2: A 88 TYR OH : rot 45:sc= 0.602 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= 0.835 (180deg=0.345) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 164:sc= 0.0222 (180deg=-0.263) USER MOD Single : A 5 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0113) USER MOD Single : A 7 HIS : no HE2:sc= 0.367 K(o=0.37,f=-1.4) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot -40:sc= 0.637 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -76:sc= 1.06 USER MOD Single : A 26 THR OG1 : rot -2:sc= 0.224 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 65:sc= 0.643 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.627 K(o=-0.63,f=-2.4!) USER MOD Single : A 65 TYR OH : rot 150:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 81 TYR OH : rot -150:sc= 0.0935 USER MOD Single : A 85 LYS NZ :NH3+ -159:sc= 0.327 (180deg=0.143) USER MOD Single : A 86 MET CE :methyl 162:sc= -1.62 (180deg=-2.93!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -3.57! K(o=-3.6!,f=-0.11) USER MOD Single : A 92 THR OG1 : rot -115:sc= 0.36 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 26:sc= 0.0829 USER MOD Single : A 112 LYS NZ :NH3+ -176:sc= 0.677 (180deg=0.666) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 90:sc= -0.0154 USER MOD Single : A 126 CYS SG : rot -38:sc= -0.0182 USER MOD Single : A 131 HIS : no HD1:sc= -0.0108 X(o=-0.011,f=-0.39) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 HIS : no HD1:sc= -0.854 K(o=-0.85,f=-0.18) USER MOD Single : A 134 HIS : no HE2:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 136 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.681 24.090 -5.960 1.00 11.32 N ATOM 2 CA MET A 1 -7.227 22.712 -6.270 1.00 24.15 C ATOM 3 C MET A 1 -5.746 22.520 -5.875 1.00 55.12 C ATOM 4 O MET A 1 -4.836 22.944 -6.598 1.00 44.11 O ATOM 5 CB MET A 1 -7.464 22.359 -7.767 1.00 11.20 C ATOM 6 CG MET A 1 -8.928 22.450 -8.219 1.00 23.03 C ATOM 7 SD MET A 1 -9.579 24.133 -8.106 1.00 32.10 S ATOM 8 CE MET A 1 -11.275 23.920 -8.659 1.00 44.52 C ATOM 0 H1 MET A 1 -8.530 24.310 -6.518 1.00 11.32 H new ATOM 0 H2 MET A 1 -7.904 24.162 -4.947 1.00 11.32 H new ATOM 0 H3 MET A 1 -6.927 24.766 -6.197 1.00 11.32 H new ATOM 0 HA MET A 1 -7.825 22.021 -5.676 1.00 24.15 H new ATOM 0 HB2 MET A 1 -6.864 23.028 -8.384 1.00 11.20 H new ATOM 0 HB3 MET A 1 -7.103 21.347 -7.950 1.00 11.20 H new ATOM 0 HG2 MET A 1 -9.011 22.099 -9.248 1.00 23.03 H new ATOM 0 HG3 MET A 1 -9.537 21.786 -7.606 1.00 23.03 H new ATOM 0 HE1 MET A 1 -11.788 24.881 -8.637 1.00 44.52 H new ATOM 0 HE2 MET A 1 -11.280 23.529 -9.676 1.00 44.52 H new ATOM 0 HE3 MET A 1 -11.788 23.220 -7.999 1.00 44.52 H new ATOM 20 N LYS A 2 -5.522 21.906 -4.699 1.00 33.15 N ATOM 21 CA LYS A 2 -4.176 21.550 -4.200 1.00 44.22 C ATOM 22 C LYS A 2 -4.203 20.148 -3.555 1.00 74.03 C ATOM 23 O LYS A 2 -5.178 19.769 -2.890 1.00 4.05 O ATOM 24 CB LYS A 2 -3.657 22.617 -3.187 1.00 62.21 C ATOM 25 CG LYS A 2 -4.502 22.763 -1.899 1.00 71.44 C ATOM 26 CD LYS A 2 -3.966 23.854 -0.942 1.00 23.34 C ATOM 27 CE LYS A 2 -4.835 24.009 0.321 1.00 44.43 C ATOM 28 NZ LYS A 2 -4.315 25.066 1.219 1.00 75.42 N ATOM 0 H LYS A 2 -6.273 21.640 -4.062 1.00 33.15 H new ATOM 0 HA LYS A 2 -3.487 21.531 -5.045 1.00 44.22 H new ATOM 0 HB2 LYS A 2 -2.635 22.362 -2.906 1.00 62.21 H new ATOM 0 HB3 LYS A 2 -3.618 23.584 -3.689 1.00 62.21 H new ATOM 0 HG2 LYS A 2 -5.530 23.000 -2.171 1.00 71.44 H new ATOM 0 HG3 LYS A 2 -4.523 21.807 -1.375 1.00 71.44 H new ATOM 0 HD2 LYS A 2 -2.946 23.607 -0.649 1.00 23.34 H new ATOM 0 HD3 LYS A 2 -3.924 24.807 -1.470 1.00 23.34 H new ATOM 0 HE2 LYS A 2 -5.858 24.249 0.031 1.00 44.43 H new ATOM 0 HE3 LYS A 2 -4.870 23.061 0.857 1.00 44.43 H new ATOM 0 HZ1 LYS A 2 -4.926 25.141 2.057 1.00 75.42 H new ATOM 0 HZ2 LYS A 2 -3.348 24.825 1.516 1.00 75.42 H new ATOM 0 HZ3 LYS A 2 -4.306 25.976 0.715 1.00 75.42 H new ATOM 42 N LYS A 3 -3.134 19.370 -3.775 1.00 52.34 N ATOM 43 CA LYS A 3 -2.993 18.029 -3.180 1.00 23.45 C ATOM 44 C LYS A 3 -2.506 18.121 -1.726 1.00 4.00 C ATOM 45 O LYS A 3 -1.743 19.023 -1.357 1.00 53.54 O ATOM 46 CB LYS A 3 -2.027 17.154 -4.020 1.00 61.22 C ATOM 47 CG LYS A 3 -2.494 16.919 -5.471 1.00 13.24 C ATOM 48 CD LYS A 3 -3.849 16.168 -5.552 1.00 22.13 C ATOM 49 CE LYS A 3 -4.358 16.006 -6.995 1.00 51.25 C ATOM 50 NZ LYS A 3 -3.417 15.226 -7.839 1.00 1.23 N ATOM 0 H LYS A 3 -2.349 19.647 -4.364 1.00 52.34 H new ATOM 0 HA LYS A 3 -3.976 17.557 -3.181 1.00 23.45 H new ATOM 0 HB2 LYS A 3 -1.046 17.628 -4.037 1.00 61.22 H new ATOM 0 HB3 LYS A 3 -1.906 16.189 -3.527 1.00 61.22 H new ATOM 0 HG2 LYS A 3 -2.585 17.879 -5.979 1.00 13.24 H new ATOM 0 HG3 LYS A 3 -1.734 16.347 -6.004 1.00 13.24 H new ATOM 0 HD2 LYS A 3 -3.741 15.183 -5.098 1.00 22.13 H new ATOM 0 HD3 LYS A 3 -4.594 16.708 -4.968 1.00 22.13 H new ATOM 0 HE2 LYS A 3 -5.328 15.510 -6.982 1.00 51.25 H new ATOM 0 HE3 LYS A 3 -4.509 16.991 -7.438 1.00 51.25 H new ATOM 0 HZ1 LYS A 3 -3.904 14.911 -8.702 1.00 1.23 H new ATOM 0 HZ2 LYS A 3 -2.606 15.823 -8.098 1.00 1.23 H new ATOM 0 HZ3 LYS A 3 -3.081 14.397 -7.309 1.00 1.23 H new ATOM 64 N GLU A 4 -2.946 17.159 -0.929 1.00 71.43 N ATOM 65 CA GLU A 4 -2.603 17.031 0.491 1.00 50.22 C ATOM 66 C GLU A 4 -2.018 15.629 0.731 1.00 34.14 C ATOM 67 O GLU A 4 -2.717 14.623 0.574 1.00 4.14 O ATOM 68 CB GLU A 4 -3.870 17.251 1.369 1.00 51.33 C ATOM 69 CG GLU A 4 -3.646 17.029 2.877 1.00 50.33 C ATOM 70 CD GLU A 4 -4.923 17.207 3.720 1.00 1.20 C ATOM 71 OE1 GLU A 4 -5.844 16.363 3.610 1.00 22.41 O ATOM 72 OE2 GLU A 4 -5.002 18.167 4.518 1.00 23.41 O ATOM 0 H GLU A 4 -3.570 16.421 -1.256 1.00 71.43 H new ATOM 0 HA GLU A 4 -1.866 17.786 0.765 1.00 50.22 H new ATOM 0 HB2 GLU A 4 -4.233 18.267 1.214 1.00 51.33 H new ATOM 0 HB3 GLU A 4 -4.655 16.577 1.028 1.00 51.33 H new ATOM 0 HG2 GLU A 4 -3.253 16.024 3.034 1.00 50.33 H new ATOM 0 HG3 GLU A 4 -2.887 17.727 3.230 1.00 50.33 H new ATOM 79 N LYS A 5 -0.725 15.572 1.066 1.00 53.23 N ATOM 80 CA LYS A 5 -0.044 14.315 1.419 1.00 43.15 C ATOM 81 C LYS A 5 -0.575 13.806 2.784 1.00 54.44 C ATOM 82 O LYS A 5 -0.576 14.540 3.778 1.00 3.50 O ATOM 83 CB LYS A 5 1.493 14.560 1.432 1.00 14.54 C ATOM 84 CG LYS A 5 2.407 13.307 1.584 1.00 31.14 C ATOM 85 CD LYS A 5 2.575 12.799 3.042 1.00 73.41 C ATOM 86 CE LYS A 5 3.094 13.879 4.011 1.00 35.44 C ATOM 87 NZ LYS A 5 4.373 14.483 3.551 1.00 24.01 N ATOM 0 H LYS A 5 -0.119 16.392 1.101 1.00 53.23 H new ATOM 0 HA LYS A 5 -0.251 13.539 0.682 1.00 43.15 H new ATOM 0 HB2 LYS A 5 1.763 15.066 0.505 1.00 14.54 H new ATOM 0 HB3 LYS A 5 1.720 15.246 2.248 1.00 14.54 H new ATOM 0 HG2 LYS A 5 1.997 12.499 0.977 1.00 31.14 H new ATOM 0 HG3 LYS A 5 3.392 13.541 1.180 1.00 31.14 H new ATOM 0 HD2 LYS A 5 1.615 12.429 3.403 1.00 73.41 H new ATOM 0 HD3 LYS A 5 3.265 11.955 3.047 1.00 73.41 H new ATOM 0 HE2 LYS A 5 2.342 14.661 4.116 1.00 35.44 H new ATOM 0 HE3 LYS A 5 3.237 13.440 4.998 1.00 35.44 H new ATOM 0 HZ1 LYS A 5 4.717 15.154 4.267 1.00 24.01 H new ATOM 0 HZ2 LYS A 5 5.080 13.733 3.411 1.00 24.01 H new ATOM 0 HZ3 LYS A 5 4.217 14.984 2.653 1.00 24.01 H new ATOM 101 N ILE A 6 -1.007 12.541 2.821 1.00 34.23 N ATOM 102 CA ILE A 6 -1.645 11.920 4.002 1.00 32.23 C ATOM 103 C ILE A 6 -1.023 10.531 4.280 1.00 73.21 C ATOM 104 O ILE A 6 -0.252 9.995 3.472 1.00 1.53 O ATOM 105 CB ILE A 6 -3.218 11.799 3.839 1.00 53.32 C ATOM 106 CG1 ILE A 6 -3.591 10.734 2.761 1.00 1.31 C ATOM 107 CG2 ILE A 6 -3.860 13.179 3.520 1.00 1.43 C ATOM 108 CD1 ILE A 6 -5.068 10.645 2.416 1.00 34.23 C ATOM 0 H ILE A 6 -0.926 11.907 2.026 1.00 34.23 H new ATOM 0 HA ILE A 6 -1.458 12.574 4.854 1.00 32.23 H new ATOM 0 HB ILE A 6 -3.626 11.461 4.792 1.00 53.32 H new ATOM 0 HG12 ILE A 6 -3.035 10.954 1.850 1.00 1.31 H new ATOM 0 HG13 ILE A 6 -3.257 9.757 3.110 1.00 1.31 H new ATOM 0 HG21 ILE A 6 -4.939 13.063 3.414 1.00 1.43 H new ATOM 0 HG22 ILE A 6 -3.648 13.875 4.331 1.00 1.43 H new ATOM 0 HG23 ILE A 6 -3.444 13.568 2.591 1.00 1.43 H new ATOM 0 HD11 ILE A 6 -5.219 9.876 1.658 1.00 34.23 H new ATOM 0 HD12 ILE A 6 -5.636 10.390 3.311 1.00 34.23 H new ATOM 0 HD13 ILE A 6 -5.410 11.606 2.031 1.00 34.23 H new ATOM 120 N HIS A 7 -1.355 9.981 5.449 1.00 4.13 N ATOM 121 CA HIS A 7 -0.856 8.677 5.916 1.00 71.30 C ATOM 122 C HIS A 7 -1.983 7.946 6.676 1.00 63.14 C ATOM 123 O HIS A 7 -2.504 8.471 7.672 1.00 3.35 O ATOM 124 CB HIS A 7 0.424 8.847 6.782 1.00 3.20 C ATOM 125 CG HIS A 7 0.325 9.922 7.834 1.00 14.21 C ATOM 126 ND1 HIS A 7 -0.208 9.710 9.086 1.00 63.32 N ATOM 127 CD2 HIS A 7 0.676 11.232 7.800 1.00 72.24 C ATOM 128 CE1 HIS A 7 -0.180 10.831 9.771 1.00 33.41 C ATOM 129 NE2 HIS A 7 0.351 11.769 9.016 1.00 1.14 N ATOM 0 H HIS A 7 -1.987 10.432 6.111 1.00 4.13 H new ATOM 0 HA HIS A 7 -0.568 8.067 5.060 1.00 71.30 H new ATOM 0 HB2 HIS A 7 0.647 7.898 7.269 1.00 3.20 H new ATOM 0 HB3 HIS A 7 1.264 9.074 6.126 1.00 3.20 H new ATOM 0 HD1 HIS A 7 -0.569 8.820 9.429 1.00 63.32 H new ATOM 0 HD2 HIS A 7 1.127 11.753 6.969 1.00 72.24 H new ATOM 0 HE1 HIS A 7 -0.533 10.961 10.783 1.00 33.41 H new ATOM 138 N LEU A 8 -2.404 6.770 6.181 1.00 62.24 N ATOM 139 CA LEU A 8 -3.418 5.935 6.861 1.00 13.22 C ATOM 140 C LEU A 8 -2.751 4.699 7.512 1.00 4.35 C ATOM 141 O LEU A 8 -2.198 3.847 6.807 1.00 13.04 O ATOM 142 CB LEU A 8 -4.544 5.490 5.874 1.00 24.24 C ATOM 143 CG LEU A 8 -5.538 6.596 5.366 1.00 22.41 C ATOM 144 CD1 LEU A 8 -6.174 7.363 6.538 1.00 53.15 C ATOM 145 CD2 LEU A 8 -4.878 7.556 4.359 1.00 2.45 C ATOM 0 H LEU A 8 -2.058 6.372 5.308 1.00 62.24 H new ATOM 0 HA LEU A 8 -3.879 6.539 7.643 1.00 13.22 H new ATOM 0 HB2 LEU A 8 -4.069 5.038 5.003 1.00 24.24 H new ATOM 0 HB3 LEU A 8 -5.129 4.709 6.360 1.00 24.24 H new ATOM 0 HG LEU A 8 -6.337 6.080 4.834 1.00 22.41 H new ATOM 0 HD11 LEU A 8 -6.856 8.120 6.150 1.00 53.15 H new ATOM 0 HD12 LEU A 8 -6.726 6.668 7.171 1.00 53.15 H new ATOM 0 HD13 LEU A 8 -5.392 7.845 7.124 1.00 53.15 H new ATOM 0 HD21 LEU A 8 -5.605 8.302 4.037 1.00 2.45 H new ATOM 0 HD22 LEU A 8 -4.032 8.054 4.832 1.00 2.45 H new ATOM 0 HD23 LEU A 8 -4.529 6.992 3.494 1.00 2.45 H new ATOM 157 N GLU A 9 -2.808 4.615 8.862 1.00 14.31 N ATOM 158 CA GLU A 9 -2.284 3.459 9.627 1.00 1.53 C ATOM 159 C GLU A 9 -3.431 2.499 9.988 1.00 4.25 C ATOM 160 O GLU A 9 -4.319 2.852 10.754 1.00 61.52 O ATOM 161 CB GLU A 9 -1.554 3.884 10.937 1.00 42.03 C ATOM 162 CG GLU A 9 -0.327 4.802 10.759 1.00 23.54 C ATOM 163 CD GLU A 9 -0.683 6.277 10.517 1.00 4.22 C ATOM 164 OE1 GLU A 9 -1.047 6.970 11.493 1.00 70.45 O ATOM 165 OE2 GLU A 9 -0.602 6.750 9.371 1.00 23.20 O ATOM 0 H GLU A 9 -3.216 5.343 9.449 1.00 14.31 H new ATOM 0 HA GLU A 9 -1.557 2.965 8.983 1.00 1.53 H new ATOM 0 HB2 GLU A 9 -2.272 4.391 11.582 1.00 42.03 H new ATOM 0 HB3 GLU A 9 -1.236 2.983 11.461 1.00 42.03 H new ATOM 0 HG2 GLU A 9 0.300 4.731 11.648 1.00 23.54 H new ATOM 0 HG3 GLU A 9 0.267 4.439 9.920 1.00 23.54 H new ATOM 172 N TYR A 10 -3.381 1.279 9.447 1.00 62.31 N ATOM 173 CA TYR A 10 -4.405 0.238 9.659 1.00 12.12 C ATOM 174 C TYR A 10 -3.891 -0.787 10.692 1.00 64.35 C ATOM 175 O TYR A 10 -2.775 -1.300 10.554 1.00 3.34 O ATOM 176 CB TYR A 10 -4.735 -0.469 8.320 1.00 31.13 C ATOM 177 CG TYR A 10 -5.126 0.487 7.180 1.00 24.45 C ATOM 178 CD1 TYR A 10 -6.314 1.227 7.233 1.00 3.04 C ATOM 179 CD2 TYR A 10 -4.319 0.643 6.046 1.00 34.44 C ATOM 180 CE1 TYR A 10 -6.677 2.077 6.202 1.00 71.54 C ATOM 181 CE2 TYR A 10 -4.681 1.493 5.017 1.00 53.41 C ATOM 182 CZ TYR A 10 -5.861 2.207 5.100 1.00 74.52 C ATOM 183 OH TYR A 10 -6.228 3.050 4.070 1.00 34.53 O ATOM 0 H TYR A 10 -2.619 0.977 8.840 1.00 62.31 H new ATOM 0 HA TYR A 10 -5.316 0.702 10.038 1.00 12.12 H new ATOM 0 HB2 TYR A 10 -3.869 -1.053 8.008 1.00 31.13 H new ATOM 0 HB3 TYR A 10 -5.551 -1.172 8.485 1.00 31.13 H new ATOM 0 HD1 TYR A 10 -6.959 1.133 8.094 1.00 3.04 H new ATOM 0 HD2 TYR A 10 -3.395 0.088 5.974 1.00 34.44 H new ATOM 0 HE1 TYR A 10 -7.598 2.637 6.262 1.00 71.54 H new ATOM 0 HE2 TYR A 10 -4.044 1.598 4.152 1.00 53.41 H new ATOM 0 HH TYR A 10 -5.543 3.028 3.369 1.00 34.53 H new ATOM 193 N LEU A 11 -4.704 -1.092 11.713 1.00 73.50 N ATOM 194 CA LEU A 11 -4.315 -2.024 12.793 1.00 24.52 C ATOM 195 C LEU A 11 -4.745 -3.474 12.439 1.00 74.42 C ATOM 196 O LEU A 11 -5.924 -3.833 12.502 1.00 44.11 O ATOM 197 CB LEU A 11 -4.871 -1.561 14.192 1.00 52.43 C ATOM 198 CG LEU A 11 -6.422 -1.300 14.344 1.00 53.34 C ATOM 199 CD1 LEU A 11 -6.838 -1.283 15.829 1.00 31.43 C ATOM 200 CD2 LEU A 11 -6.868 0.024 13.668 1.00 15.41 C ATOM 0 H LEU A 11 -5.642 -0.706 11.818 1.00 73.50 H new ATOM 0 HA LEU A 11 -3.228 -2.013 12.878 1.00 24.52 H new ATOM 0 HB2 LEU A 11 -4.590 -2.316 14.926 1.00 52.43 H new ATOM 0 HB3 LEU A 11 -4.353 -0.642 14.466 1.00 52.43 H new ATOM 0 HG LEU A 11 -6.923 -2.124 13.836 1.00 53.34 H new ATOM 0 HD11 LEU A 11 -7.910 -1.101 15.904 1.00 31.43 H new ATOM 0 HD12 LEU A 11 -6.600 -2.244 16.285 1.00 31.43 H new ATOM 0 HD13 LEU A 11 -6.299 -0.491 16.349 1.00 31.43 H new ATOM 0 HD21 LEU A 11 -7.942 0.157 13.801 1.00 15.41 H new ATOM 0 HD22 LEU A 11 -6.340 0.861 14.124 1.00 15.41 H new ATOM 0 HD23 LEU A 11 -6.636 -0.015 12.604 1.00 15.41 H new ATOM 212 N LEU A 12 -3.760 -4.286 12.002 1.00 30.31 N ATOM 213 CA LEU A 12 -3.959 -5.722 11.663 1.00 14.35 C ATOM 214 C LEU A 12 -3.544 -6.630 12.833 1.00 21.32 C ATOM 215 O LEU A 12 -2.778 -6.223 13.699 1.00 20.24 O ATOM 216 CB LEU A 12 -3.174 -6.105 10.364 1.00 30.31 C ATOM 217 CG LEU A 12 -3.857 -5.726 9.010 1.00 24.22 C ATOM 218 CD1 LEU A 12 -5.234 -6.413 8.880 1.00 21.31 C ATOM 219 CD2 LEU A 12 -3.963 -4.198 8.825 1.00 11.00 C ATOM 0 H LEU A 12 -2.799 -3.969 11.872 1.00 30.31 H new ATOM 0 HA LEU A 12 -5.022 -5.874 11.477 1.00 14.35 H new ATOM 0 HB2 LEU A 12 -2.196 -5.626 10.401 1.00 30.31 H new ATOM 0 HB3 LEU A 12 -3.002 -7.181 10.372 1.00 30.31 H new ATOM 0 HG LEU A 12 -3.221 -6.094 8.205 1.00 24.22 H new ATOM 0 HD11 LEU A 12 -5.691 -6.135 7.930 1.00 21.31 H new ATOM 0 HD12 LEU A 12 -5.106 -7.495 8.918 1.00 21.31 H new ATOM 0 HD13 LEU A 12 -5.878 -6.095 9.700 1.00 21.31 H new ATOM 0 HD21 LEU A 12 -4.444 -3.979 7.871 1.00 11.00 H new ATOM 0 HD22 LEU A 12 -4.555 -3.774 9.636 1.00 11.00 H new ATOM 0 HD23 LEU A 12 -2.965 -3.760 8.837 1.00 11.00 H new ATOM 231 N ASN A 13 -4.034 -7.880 12.819 1.00 11.31 N ATOM 232 CA ASN A 13 -3.854 -8.830 13.940 1.00 13.05 C ATOM 233 C ASN A 13 -2.871 -9.978 13.566 1.00 52.04 C ATOM 234 O ASN A 13 -2.810 -10.387 12.403 1.00 11.10 O ATOM 235 CB ASN A 13 -5.240 -9.403 14.346 1.00 2.41 C ATOM 236 CG ASN A 13 -5.223 -10.145 15.688 1.00 60.50 C ATOM 237 OD1 ASN A 13 -5.445 -9.553 16.740 1.00 12.24 O ATOM 238 ND2 ASN A 13 -4.951 -11.434 15.668 1.00 55.41 N ATOM 0 H ASN A 13 -4.564 -8.264 12.037 1.00 11.31 H new ATOM 0 HA ASN A 13 -3.416 -8.298 14.784 1.00 13.05 H new ATOM 0 HB2 ASN A 13 -5.961 -8.587 14.400 1.00 2.41 H new ATOM 0 HB3 ASN A 13 -5.586 -10.083 13.568 1.00 2.41 H new ATOM 0 HD21 ASN A 13 -4.921 -11.963 16.540 1.00 55.41 H new ATOM 0 HD22 ASN A 13 -4.770 -11.903 14.781 1.00 55.41 H new ATOM 245 N ALA A 14 -2.112 -10.452 14.587 1.00 32.43 N ATOM 246 CA ALA A 14 -1.244 -11.665 14.552 1.00 2.31 C ATOM 247 C ALA A 14 0.139 -11.451 13.882 1.00 14.30 C ATOM 248 O ALA A 14 0.355 -10.505 13.117 1.00 52.53 O ATOM 249 CB ALA A 14 -1.969 -12.893 13.959 1.00 40.10 C ATOM 0 H ALA A 14 -2.084 -9.984 15.493 1.00 32.43 H new ATOM 0 HA ALA A 14 -1.032 -11.871 15.601 1.00 2.31 H new ATOM 0 HB1 ALA A 14 -1.293 -13.748 13.956 1.00 40.10 H new ATOM 0 HB2 ALA A 14 -2.846 -13.125 14.564 1.00 40.10 H new ATOM 0 HB3 ALA A 14 -2.280 -12.674 12.938 1.00 40.10 H new ATOM 255 N THR A 15 1.069 -12.375 14.208 1.00 44.34 N ATOM 256 CA THR A 15 2.479 -12.346 13.753 1.00 73.54 C ATOM 257 C THR A 15 2.619 -12.885 12.306 1.00 55.41 C ATOM 258 O THR A 15 1.803 -13.705 11.863 1.00 74.31 O ATOM 259 CB THR A 15 3.371 -13.225 14.708 1.00 1.23 C ATOM 260 OG1 THR A 15 3.111 -12.892 16.081 1.00 13.31 O ATOM 261 CG2 THR A 15 4.880 -13.066 14.447 1.00 12.24 C ATOM 0 H THR A 15 0.859 -13.175 14.804 1.00 44.34 H new ATOM 0 HA THR A 15 2.810 -11.308 13.775 1.00 73.54 H new ATOM 0 HB THR A 15 3.101 -14.260 14.500 1.00 1.23 H new ATOM 0 HG1 THR A 15 3.671 -13.446 16.664 1.00 13.31 H new ATOM 0 HG21 THR A 15 5.437 -13.698 15.138 1.00 12.24 H new ATOM 0 HG22 THR A 15 5.105 -13.362 13.422 1.00 12.24 H new ATOM 0 HG23 THR A 15 5.167 -12.025 14.595 1.00 12.24 H new ATOM 269 N SER A 16 3.660 -12.402 11.582 1.00 75.14 N ATOM 270 CA SER A 16 4.037 -12.888 10.224 1.00 61.31 C ATOM 271 C SER A 16 2.942 -12.592 9.170 1.00 44.31 C ATOM 272 O SER A 16 2.856 -13.252 8.131 1.00 11.41 O ATOM 273 CB SER A 16 4.418 -14.399 10.251 1.00 45.34 C ATOM 274 OG SER A 16 4.913 -14.852 8.990 1.00 52.14 O ATOM 0 H SER A 16 4.268 -11.658 11.924 1.00 75.14 H new ATOM 0 HA SER A 16 4.921 -12.329 9.918 1.00 61.31 H new ATOM 0 HB2 SER A 16 5.174 -14.568 11.018 1.00 45.34 H new ATOM 0 HB3 SER A 16 3.544 -14.988 10.529 1.00 45.34 H new ATOM 0 HG SER A 16 4.388 -14.448 8.268 1.00 52.14 H new ATOM 280 N LYS A 17 2.135 -11.550 9.427 1.00 63.41 N ATOM 281 CA LYS A 17 1.105 -11.064 8.476 1.00 53.34 C ATOM 282 C LYS A 17 1.673 -9.930 7.589 1.00 33.12 C ATOM 283 O LYS A 17 0.939 -9.082 7.085 1.00 42.32 O ATOM 284 CB LYS A 17 -0.149 -10.598 9.257 1.00 21.41 C ATOM 285 CG LYS A 17 -0.769 -11.693 10.156 1.00 55.15 C ATOM 286 CD LYS A 17 -1.155 -12.973 9.375 1.00 74.51 C ATOM 287 CE LYS A 17 -1.793 -14.044 10.272 1.00 45.11 C ATOM 288 NZ LYS A 17 -2.164 -15.255 9.507 1.00 14.13 N ATOM 0 H LYS A 17 2.173 -11.017 10.296 1.00 63.41 H new ATOM 0 HA LYS A 17 0.814 -11.880 7.815 1.00 53.34 H new ATOM 0 HB2 LYS A 17 0.118 -9.741 9.876 1.00 21.41 H new ATOM 0 HB3 LYS A 17 -0.901 -10.256 8.546 1.00 21.41 H new ATOM 0 HG2 LYS A 17 -0.060 -11.954 10.942 1.00 55.15 H new ATOM 0 HG3 LYS A 17 -1.656 -11.293 10.647 1.00 55.15 H new ATOM 0 HD2 LYS A 17 -1.850 -12.711 8.577 1.00 74.51 H new ATOM 0 HD3 LYS A 17 -0.265 -13.386 8.899 1.00 74.51 H new ATOM 0 HE2 LYS A 17 -1.096 -14.315 11.065 1.00 45.11 H new ATOM 0 HE3 LYS A 17 -2.680 -13.633 10.754 1.00 45.11 H new ATOM 0 HZ1 LYS A 17 -2.591 -15.953 10.148 1.00 14.13 H new ATOM 0 HZ2 LYS A 17 -2.848 -15.001 8.766 1.00 14.13 H new ATOM 0 HZ3 LYS A 17 -1.314 -15.663 9.068 1.00 14.13 H new ATOM 302 N ASN A 18 3.003 -9.935 7.405 1.00 5.13 N ATOM 303 CA ASN A 18 3.696 -9.012 6.492 1.00 71.02 C ATOM 304 C ASN A 18 3.404 -9.344 5.007 1.00 10.13 C ATOM 305 O ASN A 18 3.429 -8.455 4.154 1.00 11.15 O ATOM 306 CB ASN A 18 5.213 -8.975 6.782 1.00 1.31 C ATOM 307 CG ASN A 18 5.885 -10.341 6.721 1.00 43.04 C ATOM 308 OD1 ASN A 18 6.360 -10.770 5.674 1.00 20.32 O ATOM 309 ND2 ASN A 18 5.928 -11.034 7.844 1.00 51.12 N ATOM 0 H ASN A 18 3.629 -10.581 7.886 1.00 5.13 H new ATOM 0 HA ASN A 18 3.302 -8.013 6.676 1.00 71.02 H new ATOM 0 HB2 ASN A 18 5.694 -8.311 6.064 1.00 1.31 H new ATOM 0 HB3 ASN A 18 5.374 -8.545 7.771 1.00 1.31 H new ATOM 0 HD21 ASN A 18 6.366 -11.955 7.858 1.00 51.12 H new ATOM 0 HD22 ASN A 18 5.524 -10.648 8.697 1.00 51.12 H new ATOM 316 N ILE A 19 3.118 -10.639 4.736 1.00 13.33 N ATOM 317 CA ILE A 19 2.840 -11.178 3.375 1.00 24.13 C ATOM 318 C ILE A 19 1.719 -10.374 2.635 1.00 72.05 C ATOM 319 O ILE A 19 1.745 -10.281 1.396 1.00 44.24 O ATOM 320 CB ILE A 19 2.486 -12.737 3.438 1.00 65.50 C ATOM 321 CG1 ILE A 19 3.737 -13.623 3.819 1.00 52.23 C ATOM 322 CG2 ILE A 19 1.867 -13.263 2.115 1.00 4.31 C ATOM 323 CD1 ILE A 19 4.247 -13.499 5.239 1.00 5.22 C ATOM 0 H ILE A 19 3.072 -11.352 5.464 1.00 13.33 H new ATOM 0 HA ILE A 19 3.753 -11.058 2.791 1.00 24.13 H new ATOM 0 HB ILE A 19 1.740 -12.828 4.228 1.00 65.50 H new ATOM 0 HG12 ILE A 19 3.483 -14.667 3.638 1.00 52.23 H new ATOM 0 HG13 ILE A 19 4.552 -13.371 3.141 1.00 52.23 H new ATOM 0 HG21 ILE A 19 1.646 -14.326 2.214 1.00 4.31 H new ATOM 0 HG22 ILE A 19 0.946 -12.720 1.903 1.00 4.31 H new ATOM 0 HG23 ILE A 19 2.573 -13.113 1.298 1.00 4.31 H new ATOM 0 HD11 ILE A 19 5.106 -14.156 5.376 1.00 5.22 H new ATOM 0 HD12 ILE A 19 4.544 -12.468 5.430 1.00 5.22 H new ATOM 0 HD13 ILE A 19 3.458 -13.784 5.935 1.00 5.22 H new ATOM 335 N LEU A 20 0.791 -9.750 3.422 1.00 42.44 N ATOM 336 CA LEU A 20 -0.349 -8.932 2.901 1.00 63.42 C ATOM 337 C LEU A 20 0.086 -7.983 1.752 1.00 63.12 C ATOM 338 O LEU A 20 -0.362 -8.117 0.607 1.00 10.24 O ATOM 339 CB LEU A 20 -0.964 -8.069 4.053 1.00 33.42 C ATOM 340 CG LEU A 20 -1.634 -8.836 5.236 1.00 45.24 C ATOM 341 CD1 LEU A 20 -1.966 -7.871 6.405 1.00 60.31 C ATOM 342 CD2 LEU A 20 -2.890 -9.610 4.768 1.00 32.42 C ATOM 0 H LEU A 20 0.813 -9.801 4.440 1.00 42.44 H new ATOM 0 HA LEU A 20 -1.087 -9.633 2.510 1.00 63.42 H new ATOM 0 HB2 LEU A 20 -0.174 -7.439 4.462 1.00 33.42 H new ATOM 0 HB3 LEU A 20 -1.709 -7.403 3.616 1.00 33.42 H new ATOM 0 HG LEU A 20 -0.919 -9.572 5.604 1.00 45.24 H new ATOM 0 HD11 LEU A 20 -2.432 -8.430 7.217 1.00 60.31 H new ATOM 0 HD12 LEU A 20 -1.048 -7.406 6.765 1.00 60.31 H new ATOM 0 HD13 LEU A 20 -2.651 -7.099 6.056 1.00 60.31 H new ATOM 0 HD21 LEU A 20 -3.332 -10.133 5.616 1.00 32.42 H new ATOM 0 HD22 LEU A 20 -3.616 -8.910 4.355 1.00 32.42 H new ATOM 0 HD23 LEU A 20 -2.608 -10.333 4.003 1.00 32.42 H new ATOM 354 N TRP A 21 0.976 -7.034 2.084 1.00 50.24 N ATOM 355 CA TRP A 21 1.533 -6.067 1.118 1.00 60.14 C ATOM 356 C TRP A 21 2.946 -6.446 0.646 1.00 1.01 C ATOM 357 O TRP A 21 3.415 -5.886 -0.331 1.00 24.11 O ATOM 358 CB TRP A 21 1.501 -4.642 1.703 1.00 53.41 C ATOM 359 CG TRP A 21 0.111 -4.033 1.730 1.00 1.22 C ATOM 360 CD1 TRP A 21 -0.849 -4.186 2.690 1.00 53.31 C ATOM 361 CD2 TRP A 21 -0.467 -3.175 0.729 1.00 32.40 C ATOM 362 NE1 TRP A 21 -1.963 -3.451 2.366 1.00 53.25 N ATOM 363 CE2 TRP A 21 -1.756 -2.827 1.166 1.00 50.32 C ATOM 364 CE3 TRP A 21 -0.006 -2.661 -0.490 1.00 24.31 C ATOM 365 CZ2 TRP A 21 -2.590 -1.986 0.432 1.00 51.21 C ATOM 366 CZ3 TRP A 21 -0.831 -1.829 -1.220 1.00 34.05 C ATOM 367 CH2 TRP A 21 -2.112 -1.496 -0.758 1.00 60.10 C ATOM 0 H TRP A 21 1.332 -6.914 3.032 1.00 50.24 H new ATOM 0 HA TRP A 21 0.898 -6.095 0.232 1.00 60.14 H new ATOM 0 HB2 TRP A 21 1.900 -4.665 2.717 1.00 53.41 H new ATOM 0 HB3 TRP A 21 2.159 -4.001 1.116 1.00 53.41 H new ATOM 0 HD1 TRP A 21 -0.747 -4.796 3.575 1.00 53.31 H new ATOM 0 HE1 TRP A 21 -2.810 -3.381 2.930 1.00 53.25 H new ATOM 0 HE3 TRP A 21 0.980 -2.912 -0.853 1.00 24.31 H new ATOM 0 HZ2 TRP A 21 -3.577 -1.729 0.787 1.00 51.21 H new ATOM 0 HZ3 TRP A 21 -0.484 -1.429 -2.161 1.00 34.05 H new ATOM 0 HH2 TRP A 21 -2.735 -0.841 -1.350 1.00 60.10 H new ATOM 378 N SER A 22 3.633 -7.389 1.329 1.00 60.55 N ATOM 379 CA SER A 22 4.955 -7.905 0.848 1.00 11.54 C ATOM 380 C SER A 22 4.827 -8.605 -0.536 1.00 73.35 C ATOM 381 O SER A 22 5.814 -8.789 -1.248 1.00 44.33 O ATOM 382 CB SER A 22 5.595 -8.864 1.882 1.00 70.25 C ATOM 383 OG SER A 22 6.877 -9.315 1.466 1.00 55.21 O ATOM 0 H SER A 22 3.310 -7.808 2.201 1.00 60.55 H new ATOM 0 HA SER A 22 5.611 -7.043 0.730 1.00 11.54 H new ATOM 0 HB2 SER A 22 5.683 -8.356 2.842 1.00 70.25 H new ATOM 0 HB3 SER A 22 4.940 -9.722 2.035 1.00 70.25 H new ATOM 0 HG SER A 22 7.248 -9.916 2.145 1.00 55.21 H new ATOM 389 N ALA A 23 3.578 -8.970 -0.896 1.00 42.05 N ATOM 390 CA ALA A 23 3.219 -9.524 -2.222 1.00 74.25 C ATOM 391 C ALA A 23 3.609 -8.576 -3.398 1.00 61.04 C ATOM 392 O ALA A 23 3.984 -9.045 -4.477 1.00 51.53 O ATOM 393 CB ALA A 23 1.708 -9.815 -2.251 1.00 3.02 C ATOM 0 H ALA A 23 2.779 -8.888 -0.267 1.00 42.05 H new ATOM 0 HA ALA A 23 3.787 -10.444 -2.364 1.00 74.25 H new ATOM 0 HB1 ALA A 23 1.435 -10.223 -3.224 1.00 3.02 H new ATOM 0 HB2 ALA A 23 1.461 -10.537 -1.472 1.00 3.02 H new ATOM 0 HB3 ALA A 23 1.156 -8.891 -2.077 1.00 3.02 H new ATOM 399 N ILE A 24 3.542 -7.242 -3.164 1.00 1.52 N ATOM 400 CA ILE A 24 3.783 -6.219 -4.222 1.00 10.32 C ATOM 401 C ILE A 24 5.273 -6.108 -4.642 1.00 10.14 C ATOM 402 O ILE A 24 5.586 -5.495 -5.667 1.00 43.34 O ATOM 403 CB ILE A 24 3.226 -4.795 -3.810 1.00 22.30 C ATOM 404 CG1 ILE A 24 4.115 -4.132 -2.703 1.00 41.24 C ATOM 405 CG2 ILE A 24 1.745 -4.909 -3.366 1.00 33.52 C ATOM 406 CD1 ILE A 24 3.514 -2.922 -2.006 1.00 12.33 C ATOM 0 H ILE A 24 3.323 -6.845 -2.250 1.00 1.52 H new ATOM 0 HA ILE A 24 3.228 -6.573 -5.091 1.00 10.32 H new ATOM 0 HB ILE A 24 3.269 -4.141 -4.681 1.00 22.30 H new ATOM 0 HG12 ILE A 24 4.344 -4.885 -1.949 1.00 41.24 H new ATOM 0 HG13 ILE A 24 5.062 -3.834 -3.154 1.00 41.24 H new ATOM 0 HG21 ILE A 24 1.373 -3.924 -3.085 1.00 33.52 H new ATOM 0 HG22 ILE A 24 1.148 -5.302 -4.189 1.00 33.52 H new ATOM 0 HG23 ILE A 24 1.672 -5.582 -2.511 1.00 33.52 H new ATOM 0 HD11 ILE A 24 4.215 -2.546 -1.261 1.00 12.33 H new ATOM 0 HD12 ILE A 24 3.312 -2.142 -2.740 1.00 12.33 H new ATOM 0 HD13 ILE A 24 2.583 -3.209 -1.516 1.00 12.33 H new ATOM 418 N SER A 25 6.179 -6.709 -3.849 1.00 51.03 N ATOM 419 CA SER A 25 7.630 -6.733 -4.163 1.00 32.53 C ATOM 420 C SER A 25 7.955 -7.774 -5.256 1.00 54.41 C ATOM 421 O SER A 25 9.025 -7.724 -5.880 1.00 53.33 O ATOM 422 CB SER A 25 8.449 -7.038 -2.891 1.00 54.33 C ATOM 423 OG SER A 25 8.307 -8.388 -2.478 1.00 32.44 O ATOM 0 H SER A 25 5.936 -7.188 -2.982 1.00 51.03 H new ATOM 0 HA SER A 25 7.902 -5.747 -4.541 1.00 32.53 H new ATOM 0 HB2 SER A 25 9.502 -6.825 -3.078 1.00 54.33 H new ATOM 0 HB3 SER A 25 8.128 -6.377 -2.086 1.00 54.33 H new ATOM 0 HG SER A 25 7.434 -8.509 -2.050 1.00 32.44 H new ATOM 429 N THR A 26 7.033 -8.738 -5.458 1.00 22.11 N ATOM 430 CA THR A 26 7.184 -9.817 -6.458 1.00 65.23 C ATOM 431 C THR A 26 6.117 -9.717 -7.576 1.00 22.42 C ATOM 432 O THR A 26 4.991 -9.287 -7.311 1.00 74.45 O ATOM 433 CB THR A 26 7.077 -11.238 -5.806 1.00 24.21 C ATOM 434 OG1 THR A 26 5.828 -11.385 -5.102 1.00 61.52 O ATOM 435 CG2 THR A 26 8.244 -11.515 -4.851 1.00 14.42 C ATOM 0 H THR A 26 6.161 -8.791 -4.932 1.00 22.11 H new ATOM 0 HA THR A 26 8.178 -9.687 -6.886 1.00 65.23 H new ATOM 0 HB THR A 26 7.120 -11.966 -6.617 1.00 24.21 H new ATOM 0 HG1 THR A 26 5.326 -10.545 -5.148 1.00 61.52 H new ATOM 0 HG21 THR A 26 8.133 -12.510 -4.420 1.00 14.42 H new ATOM 0 HG22 THR A 26 9.184 -11.460 -5.400 1.00 14.42 H new ATOM 0 HG23 THR A 26 8.246 -10.772 -4.054 1.00 14.42 H new ATOM 443 N PRO A 27 6.473 -10.111 -8.847 1.00 63.21 N ATOM 444 CA PRO A 27 5.505 -10.233 -9.974 1.00 31.31 C ATOM 445 C PRO A 27 4.275 -11.128 -9.633 1.00 72.52 C ATOM 446 O PRO A 27 3.130 -10.661 -9.647 1.00 50.31 O ATOM 447 CB PRO A 27 6.367 -10.861 -11.121 1.00 32.42 C ATOM 448 CG PRO A 27 7.610 -11.364 -10.445 1.00 50.04 C ATOM 449 CD PRO A 27 7.854 -10.420 -9.305 1.00 61.11 C ATOM 0 HA PRO A 27 5.063 -9.271 -10.235 1.00 31.31 H new ATOM 0 HB2 PRO A 27 5.833 -11.671 -11.617 1.00 32.42 H new ATOM 0 HB3 PRO A 27 6.606 -10.121 -11.885 1.00 32.42 H new ATOM 0 HG2 PRO A 27 7.477 -12.385 -10.088 1.00 50.04 H new ATOM 0 HG3 PRO A 27 8.455 -11.375 -11.134 1.00 50.04 H new ATOM 0 HD2 PRO A 27 8.450 -10.880 -8.517 1.00 61.11 H new ATOM 0 HD3 PRO A 27 8.386 -9.524 -9.626 1.00 61.11 H new ATOM 457 N THR A 28 4.545 -12.409 -9.308 1.00 42.13 N ATOM 458 CA THR A 28 3.508 -13.419 -8.984 1.00 4.32 C ATOM 459 C THR A 28 2.671 -13.058 -7.732 1.00 63.40 C ATOM 460 O THR A 28 1.476 -13.380 -7.662 1.00 11.30 O ATOM 461 CB THR A 28 4.160 -14.826 -8.793 1.00 23.11 C ATOM 462 OG1 THR A 28 5.132 -14.771 -7.734 1.00 45.32 O ATOM 463 CG2 THR A 28 4.841 -15.323 -10.088 1.00 21.32 C ATOM 0 H THR A 28 5.495 -12.778 -9.262 1.00 42.13 H new ATOM 0 HA THR A 28 2.823 -13.435 -9.832 1.00 4.32 H new ATOM 0 HB THR A 28 3.365 -15.527 -8.538 1.00 23.11 H new ATOM 0 HG1 THR A 28 5.537 -15.655 -7.616 1.00 45.32 H new ATOM 0 HG21 THR A 28 5.282 -16.304 -9.914 1.00 21.32 H new ATOM 0 HG22 THR A 28 4.100 -15.395 -10.884 1.00 21.32 H new ATOM 0 HG23 THR A 28 5.622 -14.621 -10.381 1.00 21.32 H new ATOM 471 N GLY A 29 3.303 -12.393 -6.750 1.00 14.43 N ATOM 472 CA GLY A 29 2.587 -11.900 -5.563 1.00 2.04 C ATOM 473 C GLY A 29 1.593 -10.772 -5.883 1.00 75.23 C ATOM 474 O GLY A 29 0.470 -10.752 -5.365 1.00 22.41 O ATOM 0 H GLY A 29 4.302 -12.186 -6.755 1.00 14.43 H new ATOM 0 HA2 GLY A 29 2.051 -12.728 -5.100 1.00 2.04 H new ATOM 0 HA3 GLY A 29 3.312 -11.541 -4.832 1.00 2.04 H new ATOM 478 N LEU A 30 2.026 -9.839 -6.749 1.00 35.41 N ATOM 479 CA LEU A 30 1.229 -8.655 -7.165 1.00 13.00 C ATOM 480 C LEU A 30 -0.028 -9.067 -7.979 1.00 31.34 C ATOM 481 O LEU A 30 -1.137 -8.602 -7.698 1.00 65.42 O ATOM 482 CB LEU A 30 2.133 -7.668 -7.990 1.00 43.14 C ATOM 483 CG LEU A 30 2.220 -6.196 -7.482 1.00 3.15 C ATOM 484 CD1 LEU A 30 3.315 -5.407 -8.231 1.00 22.11 C ATOM 485 CD2 LEU A 30 0.863 -5.478 -7.565 1.00 20.24 C ATOM 0 H LEU A 30 2.946 -9.879 -7.188 1.00 35.41 H new ATOM 0 HA LEU A 30 0.876 -8.148 -6.267 1.00 13.00 H new ATOM 0 HB2 LEU A 30 3.143 -8.077 -8.018 1.00 43.14 H new ATOM 0 HB3 LEU A 30 1.767 -7.651 -9.017 1.00 43.14 H new ATOM 0 HG LEU A 30 2.499 -6.238 -6.429 1.00 3.15 H new ATOM 0 HD11 LEU A 30 3.350 -4.385 -7.853 1.00 22.11 H new ATOM 0 HD12 LEU A 30 4.281 -5.886 -8.072 1.00 22.11 H new ATOM 0 HD13 LEU A 30 3.088 -5.392 -9.297 1.00 22.11 H new ATOM 0 HD21 LEU A 30 0.969 -4.456 -7.201 1.00 20.24 H new ATOM 0 HD22 LEU A 30 0.523 -5.461 -8.600 1.00 20.24 H new ATOM 0 HD23 LEU A 30 0.133 -6.007 -6.952 1.00 20.24 H new ATOM 497 N GLU A 31 0.168 -9.971 -8.964 1.00 43.43 N ATOM 498 CA GLU A 31 -0.898 -10.395 -9.920 1.00 60.35 C ATOM 499 C GLU A 31 -2.085 -11.123 -9.250 1.00 21.41 C ATOM 500 O GLU A 31 -3.170 -11.214 -9.838 1.00 0.33 O ATOM 501 CB GLU A 31 -0.306 -11.296 -11.028 1.00 41.51 C ATOM 502 CG GLU A 31 0.235 -12.652 -10.555 1.00 43.45 C ATOM 503 CD GLU A 31 0.782 -13.523 -11.697 1.00 35.15 C ATOM 504 OE1 GLU A 31 1.922 -13.278 -12.146 1.00 53.34 O ATOM 505 OE2 GLU A 31 0.069 -14.449 -12.156 1.00 72.45 O ATOM 0 H GLU A 31 1.064 -10.431 -9.125 1.00 43.43 H new ATOM 0 HA GLU A 31 -1.292 -9.473 -10.348 1.00 60.35 H new ATOM 0 HB2 GLU A 31 -1.076 -11.473 -11.779 1.00 41.51 H new ATOM 0 HB3 GLU A 31 0.501 -10.754 -11.521 1.00 41.51 H new ATOM 0 HG2 GLU A 31 1.027 -12.484 -9.825 1.00 43.45 H new ATOM 0 HG3 GLU A 31 -0.561 -13.194 -10.044 1.00 43.45 H new ATOM 512 N ASP A 32 -1.859 -11.651 -8.035 1.00 34.34 N ATOM 513 CA ASP A 32 -2.882 -12.384 -7.271 1.00 42.45 C ATOM 514 C ASP A 32 -4.079 -11.478 -6.867 1.00 21.33 C ATOM 515 O ASP A 32 -5.223 -11.940 -6.794 1.00 64.12 O ATOM 516 CB ASP A 32 -2.228 -13.030 -6.024 1.00 53.30 C ATOM 517 CG ASP A 32 -3.222 -13.831 -5.160 1.00 40.32 C ATOM 518 OD1 ASP A 32 -3.841 -14.782 -5.688 1.00 42.31 O ATOM 519 OD2 ASP A 32 -3.378 -13.521 -3.960 1.00 75.51 O ATOM 0 H ASP A 32 -0.962 -11.581 -7.555 1.00 34.34 H new ATOM 0 HA ASP A 32 -3.290 -13.165 -7.913 1.00 42.45 H new ATOM 0 HB2 ASP A 32 -1.423 -13.690 -6.346 1.00 53.30 H new ATOM 0 HB3 ASP A 32 -1.775 -12.249 -5.414 1.00 53.30 H new ATOM 524 N TRP A 33 -3.809 -10.180 -6.636 1.00 51.45 N ATOM 525 CA TRP A 33 -4.835 -9.216 -6.155 1.00 71.45 C ATOM 526 C TRP A 33 -4.748 -7.835 -6.864 1.00 51.41 C ATOM 527 O TRP A 33 -5.455 -6.892 -6.484 1.00 61.12 O ATOM 528 CB TRP A 33 -4.728 -9.078 -4.610 1.00 12.24 C ATOM 529 CG TRP A 33 -3.437 -8.464 -4.101 1.00 53.43 C ATOM 530 CD1 TRP A 33 -2.157 -8.924 -4.282 1.00 15.33 C ATOM 531 CD2 TRP A 33 -3.323 -7.288 -3.291 1.00 13.02 C ATOM 532 NE1 TRP A 33 -1.265 -8.095 -3.654 1.00 32.53 N ATOM 533 CE2 TRP A 33 -1.955 -7.086 -3.034 1.00 72.35 C ATOM 534 CE3 TRP A 33 -4.252 -6.386 -2.769 1.00 32.33 C ATOM 535 CZ2 TRP A 33 -1.497 -6.016 -2.273 1.00 50.02 C ATOM 536 CZ3 TRP A 33 -3.796 -5.328 -2.011 1.00 61.10 C ATOM 537 CH2 TRP A 33 -2.429 -5.149 -1.771 1.00 23.45 C ATOM 0 H TRP A 33 -2.887 -9.766 -6.773 1.00 51.45 H new ATOM 0 HA TRP A 33 -5.817 -9.613 -6.413 1.00 71.45 H new ATOM 0 HB2 TRP A 33 -5.563 -8.472 -4.257 1.00 12.24 H new ATOM 0 HB3 TRP A 33 -4.841 -10.067 -4.165 1.00 12.24 H new ATOM 0 HD1 TRP A 33 -1.891 -9.811 -4.839 1.00 15.33 H new ATOM 0 HE1 TRP A 33 -0.252 -8.210 -3.649 1.00 32.53 H new ATOM 0 HE3 TRP A 33 -5.308 -6.514 -2.955 1.00 32.33 H new ATOM 0 HZ2 TRP A 33 -0.443 -5.874 -2.085 1.00 50.02 H new ATOM 0 HZ3 TRP A 33 -4.505 -4.627 -1.596 1.00 61.10 H new ATOM 0 HH2 TRP A 33 -2.103 -4.308 -1.177 1.00 23.45 H new ATOM 548 N PHE A 34 -3.899 -7.729 -7.905 1.00 52.31 N ATOM 549 CA PHE A 34 -3.802 -6.522 -8.765 1.00 55.51 C ATOM 550 C PHE A 34 -3.484 -6.949 -10.214 1.00 24.04 C ATOM 551 O PHE A 34 -2.544 -7.712 -10.429 1.00 30.05 O ATOM 552 CB PHE A 34 -2.702 -5.561 -8.237 1.00 54.30 C ATOM 553 CG PHE A 34 -2.625 -4.217 -8.981 1.00 71.45 C ATOM 554 CD1 PHE A 34 -3.547 -3.200 -8.723 1.00 31.43 C ATOM 555 CD2 PHE A 34 -1.642 -3.975 -9.951 1.00 52.34 C ATOM 556 CE1 PHE A 34 -3.487 -1.994 -9.403 1.00 61.42 C ATOM 557 CE2 PHE A 34 -1.588 -2.768 -10.630 1.00 51.21 C ATOM 558 CZ PHE A 34 -2.510 -1.780 -10.357 1.00 3.04 C ATOM 0 H PHE A 34 -3.259 -8.475 -8.177 1.00 52.31 H new ATOM 0 HA PHE A 34 -4.755 -5.994 -8.743 1.00 55.51 H new ATOM 0 HB2 PHE A 34 -2.882 -5.368 -7.179 1.00 54.30 H new ATOM 0 HB3 PHE A 34 -1.735 -6.059 -8.310 1.00 54.30 H new ATOM 0 HD1 PHE A 34 -4.318 -3.356 -7.983 1.00 31.43 H new ATOM 0 HD2 PHE A 34 -0.915 -4.742 -10.173 1.00 52.34 H new ATOM 0 HE1 PHE A 34 -4.207 -1.218 -9.187 1.00 61.42 H new ATOM 0 HE2 PHE A 34 -0.823 -2.601 -11.374 1.00 51.21 H new ATOM 0 HZ PHE A 34 -2.469 -0.840 -10.888 1.00 3.04 H new ATOM 568 N ALA A 35 -4.266 -6.428 -11.192 1.00 43.12 N ATOM 569 CA ALA A 35 -4.158 -6.781 -12.633 1.00 30.21 C ATOM 570 C ALA A 35 -4.519 -8.267 -12.914 1.00 43.14 C ATOM 571 O ALA A 35 -4.810 -9.046 -11.995 1.00 15.14 O ATOM 572 CB ALA A 35 -2.765 -6.411 -13.205 1.00 42.30 C ATOM 0 H ALA A 35 -4.998 -5.743 -11.002 1.00 43.12 H new ATOM 0 HA ALA A 35 -4.901 -6.180 -13.158 1.00 30.21 H new ATOM 0 HB1 ALA A 35 -2.721 -6.683 -14.260 1.00 42.30 H new ATOM 0 HB2 ALA A 35 -2.601 -5.339 -13.099 1.00 42.30 H new ATOM 0 HB3 ALA A 35 -1.992 -6.951 -12.659 1.00 42.30 H new ATOM 578 N ASP A 36 -4.549 -8.630 -14.206 1.00 73.43 N ATOM 579 CA ASP A 36 -4.717 -10.033 -14.651 1.00 72.44 C ATOM 580 C ASP A 36 -3.432 -10.828 -14.384 1.00 74.23 C ATOM 581 O ASP A 36 -3.466 -11.921 -13.806 1.00 74.22 O ATOM 582 CB ASP A 36 -5.056 -10.076 -16.152 1.00 63.31 C ATOM 583 CG ASP A 36 -6.399 -9.396 -16.463 1.00 53.14 C ATOM 584 OD1 ASP A 36 -6.481 -8.155 -16.342 1.00 52.12 O ATOM 585 OD2 ASP A 36 -7.366 -10.091 -16.837 1.00 25.30 O ATOM 0 H ASP A 36 -4.458 -7.965 -14.974 1.00 73.43 H new ATOM 0 HA ASP A 36 -5.536 -10.483 -14.090 1.00 72.44 H new ATOM 0 HB2 ASP A 36 -4.263 -9.585 -16.716 1.00 63.31 H new ATOM 0 HB3 ASP A 36 -5.090 -11.113 -16.486 1.00 63.31 H new ATOM 590 N LYS A 37 -2.300 -10.254 -14.822 1.00 71.11 N ATOM 591 CA LYS A 37 -0.971 -10.814 -14.564 1.00 32.43 C ATOM 592 C LYS A 37 0.079 -9.697 -14.525 1.00 35.04 C ATOM 593 O LYS A 37 -0.009 -8.723 -15.269 1.00 32.21 O ATOM 594 CB LYS A 37 -0.583 -11.898 -15.605 1.00 34.21 C ATOM 595 CG LYS A 37 0.774 -12.562 -15.299 1.00 23.34 C ATOM 596 CD LYS A 37 1.030 -13.886 -16.045 1.00 1.44 C ATOM 597 CE LYS A 37 2.329 -14.568 -15.564 1.00 74.10 C ATOM 598 NZ LYS A 37 2.511 -15.910 -16.164 1.00 21.54 N ATOM 0 H LYS A 37 -2.284 -9.390 -15.364 1.00 71.11 H new ATOM 0 HA LYS A 37 -1.004 -11.303 -13.590 1.00 32.43 H new ATOM 0 HB2 LYS A 37 -1.359 -12.663 -15.632 1.00 34.21 H new ATOM 0 HB3 LYS A 37 -0.546 -11.446 -16.596 1.00 34.21 H new ATOM 0 HG2 LYS A 37 1.570 -11.861 -15.549 1.00 23.34 H new ATOM 0 HG3 LYS A 37 0.838 -12.747 -14.227 1.00 23.34 H new ATOM 0 HD2 LYS A 37 0.187 -14.559 -15.892 1.00 1.44 H new ATOM 0 HD3 LYS A 37 1.094 -13.694 -17.116 1.00 1.44 H new ATOM 0 HE2 LYS A 37 3.183 -13.940 -15.818 1.00 74.10 H new ATOM 0 HE3 LYS A 37 2.310 -14.657 -14.478 1.00 74.10 H new ATOM 0 HZ1 LYS A 37 3.395 -16.330 -15.813 1.00 21.54 H new ATOM 0 HZ2 LYS A 37 1.710 -16.519 -15.901 1.00 21.54 H new ATOM 0 HZ3 LYS A 37 2.556 -15.824 -17.199 1.00 21.54 H new ATOM 612 N VAL A 38 1.074 -9.855 -13.647 1.00 54.11 N ATOM 613 CA VAL A 38 2.166 -8.894 -13.463 1.00 35.14 C ATOM 614 C VAL A 38 3.502 -9.570 -13.835 1.00 71.01 C ATOM 615 O VAL A 38 3.945 -10.506 -13.172 1.00 53.14 O ATOM 616 CB VAL A 38 2.185 -8.349 -11.989 1.00 1.44 C ATOM 617 CG1 VAL A 38 3.459 -7.527 -11.700 1.00 73.24 C ATOM 618 CG2 VAL A 38 0.910 -7.512 -11.689 1.00 74.31 C ATOM 0 H VAL A 38 1.145 -10.667 -13.034 1.00 54.11 H new ATOM 0 HA VAL A 38 2.013 -8.037 -14.119 1.00 35.14 H new ATOM 0 HB VAL A 38 2.193 -9.213 -11.324 1.00 1.44 H new ATOM 0 HG11 VAL A 38 3.435 -7.168 -10.671 1.00 73.24 H new ATOM 0 HG12 VAL A 38 4.338 -8.155 -11.844 1.00 73.24 H new ATOM 0 HG13 VAL A 38 3.505 -6.677 -12.380 1.00 73.24 H new ATOM 0 HG21 VAL A 38 0.948 -7.147 -10.663 1.00 74.31 H new ATOM 0 HG22 VAL A 38 0.861 -6.666 -12.374 1.00 74.31 H new ATOM 0 HG23 VAL A 38 0.026 -8.136 -11.820 1.00 74.31 H new ATOM 628 N VAL A 39 4.108 -9.109 -14.934 1.00 21.45 N ATOM 629 CA VAL A 39 5.387 -9.634 -15.443 1.00 71.24 C ATOM 630 C VAL A 39 6.561 -8.718 -15.010 1.00 73.15 C ATOM 631 O VAL A 39 6.602 -7.542 -15.373 1.00 12.23 O ATOM 632 CB VAL A 39 5.340 -9.746 -17.011 1.00 14.30 C ATOM 633 CG1 VAL A 39 6.639 -10.375 -17.576 1.00 1.42 C ATOM 634 CG2 VAL A 39 4.079 -10.528 -17.479 1.00 5.33 C ATOM 0 H VAL A 39 3.724 -8.354 -15.503 1.00 21.45 H new ATOM 0 HA VAL A 39 5.547 -10.626 -15.021 1.00 71.24 H new ATOM 0 HB VAL A 39 5.271 -8.735 -17.412 1.00 14.30 H new ATOM 0 HG11 VAL A 39 6.571 -10.437 -18.662 1.00 1.42 H new ATOM 0 HG12 VAL A 39 7.493 -9.756 -17.301 1.00 1.42 H new ATOM 0 HG13 VAL A 39 6.768 -11.375 -17.163 1.00 1.42 H new ATOM 0 HG21 VAL A 39 4.072 -10.590 -18.567 1.00 5.33 H new ATOM 0 HG22 VAL A 39 4.097 -11.533 -17.058 1.00 5.33 H new ATOM 0 HG23 VAL A 39 3.182 -10.009 -17.140 1.00 5.33 H new ATOM 644 N SER A 40 7.519 -9.272 -14.245 1.00 63.43 N ATOM 645 CA SER A 40 8.676 -8.510 -13.713 1.00 0.45 C ATOM 646 C SER A 40 9.909 -9.416 -13.537 1.00 3.23 C ATOM 647 O SER A 40 9.784 -10.598 -13.187 1.00 70.34 O ATOM 648 CB SER A 40 8.307 -7.858 -12.360 1.00 20.14 C ATOM 649 OG SER A 40 9.415 -7.190 -11.768 1.00 50.33 O ATOM 0 H SER A 40 7.518 -10.256 -13.976 1.00 63.43 H new ATOM 0 HA SER A 40 8.925 -7.732 -14.435 1.00 0.45 H new ATOM 0 HB2 SER A 40 7.494 -7.148 -12.510 1.00 20.14 H new ATOM 0 HB3 SER A 40 7.939 -8.624 -11.677 1.00 20.14 H new ATOM 0 HG SER A 40 9.683 -6.437 -12.334 1.00 50.33 H new ATOM 655 N ASP A 41 11.106 -8.846 -13.775 1.00 43.10 N ATOM 656 CA ASP A 41 12.402 -9.548 -13.615 1.00 34.44 C ATOM 657 C ASP A 41 13.307 -8.767 -12.634 1.00 1.42 C ATOM 658 O ASP A 41 13.603 -9.235 -11.530 1.00 4.12 O ATOM 659 CB ASP A 41 13.101 -9.714 -14.993 1.00 41.42 C ATOM 660 CG ASP A 41 12.264 -10.526 -15.997 1.00 34.51 C ATOM 661 OD1 ASP A 41 11.412 -9.928 -16.688 1.00 10.21 O ATOM 662 OD2 ASP A 41 12.452 -11.760 -16.098 1.00 11.31 O ATOM 0 H ASP A 41 11.206 -7.880 -14.086 1.00 43.10 H new ATOM 0 HA ASP A 41 12.219 -10.541 -13.205 1.00 34.44 H new ATOM 0 HB2 ASP A 41 13.305 -8.729 -15.412 1.00 41.42 H new ATOM 0 HB3 ASP A 41 14.063 -10.205 -14.849 1.00 41.42 H new ATOM 667 N ASP A 42 13.723 -7.560 -13.058 1.00 11.30 N ATOM 668 CA ASP A 42 14.560 -6.648 -12.252 1.00 4.14 C ATOM 669 C ASP A 42 14.400 -5.204 -12.792 1.00 2.14 C ATOM 670 O ASP A 42 14.111 -5.022 -13.978 1.00 53.54 O ATOM 671 CB ASP A 42 16.052 -7.097 -12.295 1.00 65.02 C ATOM 672 CG ASP A 42 16.926 -6.380 -11.253 1.00 1.04 C ATOM 673 OD1 ASP A 42 17.027 -6.877 -10.110 1.00 70.04 O ATOM 674 OD2 ASP A 42 17.506 -5.315 -11.565 1.00 41.02 O ATOM 0 H ASP A 42 13.487 -7.186 -13.977 1.00 11.30 H new ATOM 0 HA ASP A 42 14.236 -6.678 -11.212 1.00 4.14 H new ATOM 0 HB2 ASP A 42 16.107 -8.173 -12.128 1.00 65.02 H new ATOM 0 HB3 ASP A 42 16.454 -6.908 -13.290 1.00 65.02 H new ATOM 679 N LYS A 43 14.537 -4.206 -11.889 1.00 43.11 N ATOM 680 CA LYS A 43 14.482 -2.723 -12.166 1.00 55.24 C ATOM 681 C LYS A 43 13.101 -2.186 -12.651 1.00 61.25 C ATOM 682 O LYS A 43 12.885 -0.969 -12.644 1.00 40.11 O ATOM 683 CB LYS A 43 15.624 -2.231 -13.132 1.00 63.00 C ATOM 684 CG LYS A 43 15.311 -2.296 -14.655 1.00 22.43 C ATOM 685 CD LYS A 43 16.412 -1.679 -15.539 1.00 15.53 C ATOM 686 CE LYS A 43 17.760 -2.410 -15.424 1.00 32.43 C ATOM 687 NZ LYS A 43 18.798 -1.780 -16.276 1.00 23.34 N ATOM 0 H LYS A 43 14.696 -4.404 -10.901 1.00 43.11 H new ATOM 0 HA LYS A 43 14.647 -2.290 -11.180 1.00 55.24 H new ATOM 0 HB2 LYS A 43 15.869 -1.200 -12.876 1.00 63.00 H new ATOM 0 HB3 LYS A 43 16.516 -2.827 -12.940 1.00 63.00 H new ATOM 0 HG2 LYS A 43 15.166 -3.337 -14.943 1.00 22.43 H new ATOM 0 HG3 LYS A 43 14.371 -1.779 -14.846 1.00 22.43 H new ATOM 0 HD2 LYS A 43 16.085 -1.694 -16.579 1.00 15.53 H new ATOM 0 HD3 LYS A 43 16.548 -0.633 -15.262 1.00 15.53 H new ATOM 0 HE2 LYS A 43 18.089 -2.405 -14.385 1.00 32.43 H new ATOM 0 HE3 LYS A 43 17.635 -3.453 -15.714 1.00 32.43 H new ATOM 0 HZ1 LYS A 43 19.693 -2.299 -16.173 1.00 23.34 H new ATOM 0 HZ2 LYS A 43 18.494 -1.807 -17.270 1.00 23.34 H new ATOM 0 HZ3 LYS A 43 18.935 -0.792 -15.983 1.00 23.34 H new ATOM 701 N THR A 44 12.179 -3.071 -13.086 1.00 31.42 N ATOM 702 CA THR A 44 10.860 -2.670 -13.641 1.00 5.31 C ATOM 703 C THR A 44 9.800 -3.755 -13.370 1.00 23.21 C ATOM 704 O THR A 44 10.065 -4.950 -13.528 1.00 11.14 O ATOM 705 CB THR A 44 10.930 -2.408 -15.191 1.00 24.22 C ATOM 706 OG1 THR A 44 11.864 -1.352 -15.492 1.00 51.44 O ATOM 707 CG2 THR A 44 9.557 -2.039 -15.785 1.00 33.23 C ATOM 0 H THR A 44 12.323 -4.081 -13.064 1.00 31.42 H new ATOM 0 HA THR A 44 10.580 -1.743 -13.141 1.00 5.31 H new ATOM 0 HB THR A 44 11.263 -3.342 -15.644 1.00 24.22 H new ATOM 0 HG1 THR A 44 11.893 -1.207 -16.461 1.00 51.44 H new ATOM 0 HG21 THR A 44 9.658 -1.868 -16.857 1.00 33.23 H new ATOM 0 HG22 THR A 44 8.855 -2.855 -15.612 1.00 33.23 H new ATOM 0 HG23 THR A 44 9.185 -1.133 -15.307 1.00 33.23 H new ATOM 715 N VAL A 45 8.605 -3.314 -12.955 1.00 12.54 N ATOM 716 CA VAL A 45 7.417 -4.173 -12.789 1.00 74.11 C ATOM 717 C VAL A 45 6.350 -3.783 -13.848 1.00 64.45 C ATOM 718 O VAL A 45 5.780 -2.690 -13.785 1.00 11.35 O ATOM 719 CB VAL A 45 6.832 -4.032 -11.335 1.00 10.11 C ATOM 720 CG1 VAL A 45 5.554 -4.864 -11.151 1.00 0.13 C ATOM 721 CG2 VAL A 45 7.890 -4.416 -10.276 1.00 1.44 C ATOM 0 H VAL A 45 8.430 -2.337 -12.721 1.00 12.54 H new ATOM 0 HA VAL A 45 7.703 -5.215 -12.935 1.00 74.11 H new ATOM 0 HB VAL A 45 6.565 -2.985 -11.193 1.00 10.11 H new ATOM 0 HG11 VAL A 45 5.182 -4.739 -10.134 1.00 0.13 H new ATOM 0 HG12 VAL A 45 4.796 -4.528 -11.859 1.00 0.13 H new ATOM 0 HG13 VAL A 45 5.776 -5.916 -11.330 1.00 0.13 H new ATOM 0 HG21 VAL A 45 7.462 -4.310 -9.279 1.00 1.44 H new ATOM 0 HG22 VAL A 45 8.201 -5.449 -10.430 1.00 1.44 H new ATOM 0 HG23 VAL A 45 8.755 -3.759 -10.371 1.00 1.44 H new ATOM 731 N THR A 46 6.106 -4.677 -14.819 1.00 42.00 N ATOM 732 CA THR A 46 5.178 -4.421 -15.946 1.00 71.01 C ATOM 733 C THR A 46 3.809 -5.098 -15.684 1.00 3.23 C ATOM 734 O THR A 46 3.720 -6.326 -15.610 1.00 65.43 O ATOM 735 CB THR A 46 5.780 -4.940 -17.301 1.00 43.04 C ATOM 736 OG1 THR A 46 7.109 -4.409 -17.476 1.00 65.13 O ATOM 737 CG2 THR A 46 4.913 -4.541 -18.518 1.00 31.33 C ATOM 0 H THR A 46 6.543 -5.598 -14.850 1.00 42.00 H new ATOM 0 HA THR A 46 5.034 -3.343 -16.023 1.00 71.01 H new ATOM 0 HB THR A 46 5.805 -6.028 -17.249 1.00 43.04 H new ATOM 0 HG1 THR A 46 7.483 -4.735 -18.321 1.00 65.13 H new ATOM 0 HG21 THR A 46 5.370 -4.922 -19.431 1.00 31.33 H new ATOM 0 HG22 THR A 46 3.915 -4.964 -18.408 1.00 31.33 H new ATOM 0 HG23 THR A 46 4.842 -3.455 -18.574 1.00 31.33 H new ATOM 745 N PHE A 47 2.755 -4.281 -15.538 1.00 75.30 N ATOM 746 CA PHE A 47 1.387 -4.751 -15.232 1.00 34.22 C ATOM 747 C PHE A 47 0.601 -4.991 -16.539 1.00 73.31 C ATOM 748 O PHE A 47 0.448 -4.068 -17.337 1.00 34.55 O ATOM 749 CB PHE A 47 0.647 -3.689 -14.379 1.00 50.22 C ATOM 750 CG PHE A 47 1.472 -3.113 -13.229 1.00 45.14 C ATOM 751 CD1 PHE A 47 1.515 -3.747 -11.992 1.00 72.01 C ATOM 752 CD2 PHE A 47 2.204 -1.928 -13.387 1.00 31.11 C ATOM 753 CE1 PHE A 47 2.254 -3.219 -10.952 1.00 55.42 C ATOM 754 CE2 PHE A 47 2.946 -1.404 -12.343 1.00 74.04 C ATOM 755 CZ PHE A 47 2.969 -2.052 -11.124 1.00 12.21 C ATOM 0 H PHE A 47 2.824 -3.267 -15.629 1.00 75.30 H new ATOM 0 HA PHE A 47 1.455 -5.686 -14.677 1.00 34.22 H new ATOM 0 HB2 PHE A 47 0.334 -2.872 -15.030 1.00 50.22 H new ATOM 0 HB3 PHE A 47 -0.259 -4.136 -13.971 1.00 50.22 H new ATOM 0 HD1 PHE A 47 0.964 -4.664 -11.843 1.00 72.01 H new ATOM 0 HD2 PHE A 47 2.189 -1.416 -14.338 1.00 31.11 H new ATOM 0 HE1 PHE A 47 2.272 -3.723 -9.997 1.00 55.42 H new ATOM 0 HE2 PHE A 47 3.506 -0.491 -12.481 1.00 74.04 H new ATOM 0 HZ PHE A 47 3.546 -1.646 -10.306 1.00 12.21 H new ATOM 765 N CYS A 48 0.107 -6.219 -16.738 1.00 64.31 N ATOM 766 CA CYS A 48 -0.650 -6.612 -17.951 1.00 44.25 C ATOM 767 C CYS A 48 -2.149 -6.820 -17.619 1.00 72.14 C ATOM 768 O CYS A 48 -2.504 -7.697 -16.818 1.00 43.41 O ATOM 769 CB CYS A 48 -0.045 -7.902 -18.551 1.00 1.03 C ATOM 770 SG CYS A 48 1.692 -7.747 -19.035 1.00 64.41 S ATOM 0 H CYS A 48 0.217 -6.977 -16.064 1.00 64.31 H new ATOM 0 HA CYS A 48 -0.575 -5.810 -18.685 1.00 44.25 H new ATOM 0 HB2 CYS A 48 -0.138 -8.707 -17.822 1.00 1.03 H new ATOM 0 HB3 CYS A 48 -0.630 -8.193 -19.424 1.00 1.03 H new ATOM 0 HG CYS A 48 2.109 -8.877 -19.523 1.00 64.41 H new ATOM 776 N TRP A 49 -3.017 -6.001 -18.243 1.00 72.22 N ATOM 777 CA TRP A 49 -4.484 -6.047 -18.041 1.00 43.55 C ATOM 778 C TRP A 49 -5.204 -6.749 -19.222 1.00 52.35 C ATOM 779 O TRP A 49 -5.739 -6.102 -20.128 1.00 61.20 O ATOM 780 CB TRP A 49 -5.032 -4.614 -17.819 1.00 24.52 C ATOM 781 CG TRP A 49 -4.593 -3.990 -16.517 1.00 64.42 C ATOM 782 CD1 TRP A 49 -5.101 -4.255 -15.279 1.00 43.34 C ATOM 783 CD2 TRP A 49 -3.569 -3.000 -16.324 1.00 41.25 C ATOM 784 NE1 TRP A 49 -4.464 -3.495 -14.336 1.00 64.33 N ATOM 785 CE2 TRP A 49 -3.520 -2.718 -14.949 1.00 71.33 C ATOM 786 CE3 TRP A 49 -2.693 -2.329 -17.178 1.00 44.42 C ATOM 787 CZ2 TRP A 49 -2.635 -1.795 -14.405 1.00 12.54 C ATOM 788 CZ3 TRP A 49 -1.813 -1.411 -16.643 1.00 32.43 C ATOM 789 CH2 TRP A 49 -1.788 -1.150 -15.265 1.00 25.04 C ATOM 0 H TRP A 49 -2.722 -5.284 -18.906 1.00 72.22 H new ATOM 0 HA TRP A 49 -4.688 -6.641 -17.150 1.00 43.55 H new ATOM 0 HB2 TRP A 49 -4.707 -3.979 -18.643 1.00 24.52 H new ATOM 0 HB3 TRP A 49 -6.121 -4.643 -17.849 1.00 24.52 H new ATOM 0 HD1 TRP A 49 -5.891 -4.962 -15.073 1.00 43.34 H new ATOM 0 HE1 TRP A 49 -4.662 -3.506 -13.335 1.00 64.33 H new ATOM 0 HE3 TRP A 49 -2.704 -2.525 -18.240 1.00 44.42 H new ATOM 0 HZ2 TRP A 49 -2.616 -1.594 -13.344 1.00 12.54 H new ATOM 0 HZ3 TRP A 49 -1.132 -0.885 -17.296 1.00 32.43 H new ATOM 0 HH2 TRP A 49 -1.087 -0.426 -14.875 1.00 25.04 H new ATOM 800 N GLY A 50 -5.199 -8.093 -19.193 1.00 54.22 N ATOM 801 CA GLY A 50 -5.846 -8.917 -20.228 1.00 73.44 C ATOM 802 C GLY A 50 -4.965 -9.104 -21.463 1.00 21.14 C ATOM 803 O GLY A 50 -3.790 -9.465 -21.336 1.00 73.02 O ATOM 0 H GLY A 50 -4.749 -8.636 -18.456 1.00 54.22 H new ATOM 0 HA2 GLY A 50 -6.092 -9.893 -19.810 1.00 73.44 H new ATOM 0 HA3 GLY A 50 -6.786 -8.451 -20.524 1.00 73.44 H new ATOM 807 N LYS A 51 -5.528 -8.853 -22.660 1.00 60.45 N ATOM 808 CA LYS A 51 -4.775 -8.923 -23.933 1.00 12.34 C ATOM 809 C LYS A 51 -3.952 -7.622 -24.105 1.00 20.31 C ATOM 810 O LYS A 51 -2.712 -7.645 -24.094 1.00 43.20 O ATOM 811 CB LYS A 51 -5.763 -9.149 -25.138 1.00 62.00 C ATOM 812 CG LYS A 51 -5.163 -9.858 -26.389 1.00 62.34 C ATOM 813 CD LYS A 51 -4.025 -9.068 -27.080 1.00 71.23 C ATOM 814 CE LYS A 51 -3.425 -9.812 -28.283 1.00 45.25 C ATOM 815 NZ LYS A 51 -2.271 -9.084 -28.861 1.00 24.20 N ATOM 0 H LYS A 51 -6.509 -8.598 -22.775 1.00 60.45 H new ATOM 0 HA LYS A 51 -4.087 -9.769 -23.914 1.00 12.34 H new ATOM 0 HB2 LYS A 51 -6.609 -9.737 -24.783 1.00 62.00 H new ATOM 0 HB3 LYS A 51 -6.155 -8.180 -25.447 1.00 62.00 H new ATOM 0 HG2 LYS A 51 -4.783 -10.835 -26.092 1.00 62.34 H new ATOM 0 HG3 LYS A 51 -5.960 -10.032 -27.112 1.00 62.34 H new ATOM 0 HD2 LYS A 51 -4.409 -8.103 -27.411 1.00 71.23 H new ATOM 0 HD3 LYS A 51 -3.237 -8.866 -26.354 1.00 71.23 H new ATOM 0 HE2 LYS A 51 -3.108 -10.808 -27.973 1.00 45.25 H new ATOM 0 HE3 LYS A 51 -4.191 -9.944 -29.047 1.00 45.25 H new ATOM 0 HZ1 LYS A 51 -1.894 -9.618 -29.670 1.00 24.20 H new ATOM 0 HZ2 LYS A 51 -2.579 -8.143 -29.180 1.00 24.20 H new ATOM 0 HZ3 LYS A 51 -1.530 -8.980 -28.139 1.00 24.20 H new ATOM 829 N THR A 52 -4.664 -6.492 -24.238 1.00 72.14 N ATOM 830 CA THR A 52 -4.053 -5.154 -24.447 1.00 54.21 C ATOM 831 C THR A 52 -3.823 -4.429 -23.097 1.00 33.31 C ATOM 832 O THR A 52 -4.128 -4.983 -22.040 1.00 71.10 O ATOM 833 CB THR A 52 -4.967 -4.265 -25.362 1.00 4.15 C ATOM 834 OG1 THR A 52 -6.186 -3.940 -24.666 1.00 72.32 O ATOM 835 CG2 THR A 52 -5.312 -4.973 -26.690 1.00 0.20 C ATOM 0 H THR A 52 -5.683 -6.472 -24.205 1.00 72.14 H new ATOM 0 HA THR A 52 -3.091 -5.306 -24.935 1.00 54.21 H new ATOM 0 HB THR A 52 -4.413 -3.356 -25.596 1.00 4.15 H new ATOM 0 HG1 THR A 52 -6.752 -3.384 -25.241 1.00 72.32 H new ATOM 0 HG21 THR A 52 -5.946 -4.324 -27.294 1.00 0.20 H new ATOM 0 HG22 THR A 52 -4.394 -5.192 -27.235 1.00 0.20 H new ATOM 0 HG23 THR A 52 -5.840 -5.903 -26.480 1.00 0.20 H new ATOM 843 N GLU A 53 -3.255 -3.204 -23.168 1.00 60.11 N ATOM 844 CA GLU A 53 -3.096 -2.276 -22.022 1.00 21.33 C ATOM 845 C GLU A 53 -2.046 -2.773 -21.000 1.00 43.20 C ATOM 846 O GLU A 53 -2.261 -3.772 -20.295 1.00 72.44 O ATOM 847 CB GLU A 53 -4.459 -1.977 -21.331 1.00 53.13 C ATOM 848 CG GLU A 53 -4.382 -0.980 -20.156 1.00 60.14 C ATOM 849 CD GLU A 53 -5.754 -0.673 -19.532 1.00 75.23 C ATOM 850 OE1 GLU A 53 -6.178 -1.391 -18.601 1.00 33.44 O ATOM 851 OE2 GLU A 53 -6.422 0.282 -19.985 1.00 21.05 O ATOM 0 H GLU A 53 -2.887 -2.824 -24.040 1.00 60.11 H new ATOM 0 HA GLU A 53 -2.719 -1.340 -22.433 1.00 21.33 H new ATOM 0 HB2 GLU A 53 -5.151 -1.586 -22.077 1.00 53.13 H new ATOM 0 HB3 GLU A 53 -4.880 -2.914 -20.967 1.00 53.13 H new ATOM 0 HG2 GLU A 53 -3.723 -1.384 -19.388 1.00 60.14 H new ATOM 0 HG3 GLU A 53 -3.933 -0.050 -20.505 1.00 60.14 H new ATOM 858 N GLN A 54 -0.914 -2.056 -20.925 1.00 65.24 N ATOM 859 CA GLN A 54 0.167 -2.359 -19.974 1.00 21.14 C ATOM 860 C GLN A 54 0.865 -1.068 -19.497 1.00 32.45 C ATOM 861 O GLN A 54 0.937 -0.080 -20.239 1.00 31.42 O ATOM 862 CB GLN A 54 1.193 -3.341 -20.612 1.00 70.02 C ATOM 863 CG GLN A 54 1.950 -2.796 -21.843 1.00 21.34 C ATOM 864 CD GLN A 54 3.090 -3.710 -22.298 1.00 20.11 C ATOM 865 OE1 GLN A 54 2.905 -4.600 -23.113 1.00 72.35 O ATOM 866 NE2 GLN A 54 4.274 -3.507 -21.761 1.00 21.41 N ATOM 0 H GLN A 54 -0.722 -1.251 -21.521 1.00 65.24 H new ATOM 0 HA GLN A 54 -0.273 -2.840 -19.101 1.00 21.14 H new ATOM 0 HB2 GLN A 54 1.923 -3.622 -19.853 1.00 70.02 H new ATOM 0 HB3 GLN A 54 0.668 -4.251 -20.902 1.00 70.02 H new ATOM 0 HG2 GLN A 54 1.247 -2.664 -22.666 1.00 21.34 H new ATOM 0 HG3 GLN A 54 2.353 -1.811 -21.608 1.00 21.34 H new ATOM 0 HE21 GLN A 54 4.404 -2.757 -21.082 1.00 21.41 H new ATOM 0 HE22 GLN A 54 5.062 -4.100 -22.024 1.00 21.41 H new ATOM 875 N ARG A 55 1.360 -1.079 -18.245 1.00 43.00 N ATOM 876 CA ARG A 55 2.158 0.033 -17.651 1.00 25.02 C ATOM 877 C ARG A 55 3.404 -0.531 -16.955 1.00 64.23 C ATOM 878 O ARG A 55 3.490 -1.730 -16.702 1.00 34.53 O ATOM 879 CB ARG A 55 1.315 0.874 -16.644 1.00 43.31 C ATOM 880 CG ARG A 55 0.196 1.726 -17.287 1.00 44.23 C ATOM 881 CD ARG A 55 0.743 2.799 -18.252 1.00 63.34 C ATOM 882 NE ARG A 55 1.626 3.754 -17.560 1.00 64.44 N ATOM 883 CZ ARG A 55 2.577 4.480 -18.112 1.00 1.33 C ATOM 884 NH1 ARG A 55 2.855 4.400 -19.374 1.00 24.52 N ATOM 885 NH2 ARG A 55 3.251 5.291 -17.375 1.00 65.22 N ATOM 0 H ARG A 55 1.222 -1.861 -17.605 1.00 43.00 H new ATOM 0 HA ARG A 55 2.462 0.696 -18.461 1.00 25.02 H new ATOM 0 HB2 ARG A 55 0.865 0.199 -15.916 1.00 43.31 H new ATOM 0 HB3 ARG A 55 1.985 1.535 -16.094 1.00 43.31 H new ATOM 0 HG2 ARG A 55 -0.488 1.072 -17.828 1.00 44.23 H new ATOM 0 HG3 ARG A 55 -0.382 2.211 -16.501 1.00 44.23 H new ATOM 0 HD2 ARG A 55 1.292 2.316 -19.060 1.00 63.34 H new ATOM 0 HD3 ARG A 55 -0.088 3.337 -18.708 1.00 63.34 H new ATOM 0 HE ARG A 55 1.488 3.864 -16.555 1.00 64.44 H new ATOM 0 HH11 ARG A 55 2.331 3.761 -19.972 1.00 24.52 H new ATOM 0 HH12 ARG A 55 3.598 4.976 -19.770 1.00 24.52 H new ATOM 0 HH21 ARG A 55 3.046 5.365 -16.379 1.00 65.22 H new ATOM 0 HH22 ARG A 55 3.990 5.860 -17.787 1.00 65.22 H new ATOM 899 N GLN A 56 4.364 0.353 -16.633 1.00 50.43 N ATOM 900 CA GLN A 56 5.664 -0.042 -16.021 1.00 32.01 C ATOM 901 C GLN A 56 6.038 0.873 -14.830 1.00 63.43 C ATOM 902 O GLN A 56 5.965 2.106 -14.932 1.00 70.53 O ATOM 903 CB GLN A 56 6.803 -0.021 -17.081 1.00 52.22 C ATOM 904 CG GLN A 56 6.655 -1.073 -18.204 1.00 24.44 C ATOM 905 CD GLN A 56 7.832 -1.090 -19.179 1.00 11.31 C ATOM 906 OE1 GLN A 56 8.805 -1.814 -18.998 1.00 65.34 O ATOM 907 NE2 GLN A 56 7.750 -0.308 -20.231 1.00 1.34 N ATOM 0 H GLN A 56 4.271 1.357 -16.785 1.00 50.43 H new ATOM 0 HA GLN A 56 5.546 -1.058 -15.644 1.00 32.01 H new ATOM 0 HB2 GLN A 56 6.843 0.970 -17.533 1.00 52.22 H new ATOM 0 HB3 GLN A 56 7.755 -0.180 -16.575 1.00 52.22 H new ATOM 0 HG2 GLN A 56 6.551 -2.061 -17.755 1.00 24.44 H new ATOM 0 HG3 GLN A 56 5.737 -0.876 -18.758 1.00 24.44 H new ATOM 0 HE21 GLN A 56 6.931 0.286 -20.362 1.00 1.34 H new ATOM 0 HE22 GLN A 56 8.505 -0.295 -20.917 1.00 1.34 H new ATOM 916 N ALA A 57 6.483 0.244 -13.721 1.00 63.25 N ATOM 917 CA ALA A 57 6.900 0.951 -12.492 1.00 20.35 C ATOM 918 C ALA A 57 8.041 0.178 -11.784 1.00 1.41 C ATOM 919 O ALA A 57 7.853 -0.957 -11.349 1.00 61.43 O ATOM 920 CB ALA A 57 5.697 1.144 -11.545 1.00 12.44 C ATOM 0 H ALA A 57 6.563 -0.771 -13.653 1.00 63.25 H new ATOM 0 HA ALA A 57 7.276 1.936 -12.768 1.00 20.35 H new ATOM 0 HB1 ALA A 57 6.022 1.666 -10.645 1.00 12.44 H new ATOM 0 HB2 ALA A 57 4.929 1.731 -12.048 1.00 12.44 H new ATOM 0 HB3 ALA A 57 5.289 0.171 -11.272 1.00 12.44 H new ATOM 926 N GLY A 58 9.220 0.812 -11.669 1.00 22.24 N ATOM 927 CA GLY A 58 10.410 0.184 -11.075 1.00 71.43 C ATOM 928 C GLY A 58 10.630 0.532 -9.609 1.00 65.04 C ATOM 929 O GLY A 58 10.220 1.600 -9.148 1.00 20.22 O ATOM 0 H GLY A 58 9.374 1.770 -11.984 1.00 22.24 H new ATOM 0 HA2 GLY A 58 10.323 -0.898 -11.171 1.00 71.43 H new ATOM 0 HA3 GLY A 58 11.289 0.485 -11.645 1.00 71.43 H new ATOM 933 N ILE A 59 11.313 -0.370 -8.883 1.00 44.44 N ATOM 934 CA ILE A 59 11.613 -0.197 -7.446 1.00 40.02 C ATOM 935 C ILE A 59 12.867 0.699 -7.283 1.00 44.31 C ATOM 936 O ILE A 59 13.930 0.375 -7.822 1.00 54.41 O ATOM 937 CB ILE A 59 11.868 -1.576 -6.691 1.00 64.21 C ATOM 938 CG1 ILE A 59 10.717 -2.622 -6.941 1.00 65.31 C ATOM 939 CG2 ILE A 59 12.067 -1.338 -5.169 1.00 54.50 C ATOM 940 CD1 ILE A 59 10.785 -3.353 -8.275 1.00 73.32 C ATOM 0 H ILE A 59 11.674 -1.240 -9.273 1.00 44.44 H new ATOM 0 HA ILE A 59 10.735 0.267 -6.996 1.00 40.02 H new ATOM 0 HB ILE A 59 12.781 -2.001 -7.107 1.00 64.21 H new ATOM 0 HG12 ILE A 59 10.738 -3.360 -6.139 1.00 65.31 H new ATOM 0 HG13 ILE A 59 9.759 -2.107 -6.875 1.00 65.31 H new ATOM 0 HG21 ILE A 59 12.240 -2.292 -4.671 1.00 54.50 H new ATOM 0 HG22 ILE A 59 12.926 -0.686 -5.012 1.00 54.50 H new ATOM 0 HG23 ILE A 59 11.175 -0.869 -4.754 1.00 54.50 H new ATOM 0 HD11 ILE A 59 9.950 -4.050 -8.351 1.00 73.32 H new ATOM 0 HD12 ILE A 59 10.730 -2.630 -9.089 1.00 73.32 H new ATOM 0 HD13 ILE A 59 11.724 -3.903 -8.341 1.00 73.32 H new ATOM 952 N VAL A 60 12.739 1.830 -6.566 1.00 61.23 N ATOM 953 CA VAL A 60 13.898 2.695 -6.225 1.00 24.24 C ATOM 954 C VAL A 60 14.512 2.304 -4.858 1.00 72.33 C ATOM 955 O VAL A 60 15.721 2.463 -4.652 1.00 11.12 O ATOM 956 CB VAL A 60 13.515 4.225 -6.237 1.00 51.04 C ATOM 957 CG1 VAL A 60 13.196 4.704 -7.673 1.00 21.41 C ATOM 958 CG2 VAL A 60 12.330 4.519 -5.282 1.00 22.21 C ATOM 0 H VAL A 60 11.847 2.172 -6.208 1.00 61.23 H new ATOM 0 HA VAL A 60 14.649 2.533 -6.999 1.00 24.24 H new ATOM 0 HB VAL A 60 14.379 4.783 -5.876 1.00 51.04 H new ATOM 0 HG11 VAL A 60 12.935 5.762 -7.654 1.00 21.41 H new ATOM 0 HG12 VAL A 60 14.070 4.557 -8.308 1.00 21.41 H new ATOM 0 HG13 VAL A 60 12.358 4.131 -8.070 1.00 21.41 H new ATOM 0 HG21 VAL A 60 12.092 5.582 -5.314 1.00 22.21 H new ATOM 0 HG22 VAL A 60 11.459 3.942 -5.594 1.00 22.21 H new ATOM 0 HG23 VAL A 60 12.604 4.239 -4.265 1.00 22.21 H new ATOM 968 N ALA A 61 13.670 1.779 -3.937 1.00 20.20 N ATOM 969 CA ALA A 61 14.111 1.340 -2.591 1.00 2.42 C ATOM 970 C ALA A 61 13.076 0.408 -1.915 1.00 21.24 C ATOM 971 O ALA A 61 11.861 0.567 -2.096 1.00 40.42 O ATOM 972 CB ALA A 61 14.417 2.549 -1.687 1.00 2.23 C ATOM 0 H ALA A 61 12.672 1.648 -4.104 1.00 20.20 H new ATOM 0 HA ALA A 61 15.028 0.767 -2.729 1.00 2.42 H new ATOM 0 HB1 ALA A 61 14.738 2.198 -0.706 1.00 2.23 H new ATOM 0 HB2 ALA A 61 15.210 3.147 -2.136 1.00 2.23 H new ATOM 0 HB3 ALA A 61 13.520 3.158 -1.578 1.00 2.23 H new ATOM 978 N ILE A 62 13.594 -0.556 -1.132 1.00 45.31 N ATOM 979 CA ILE A 62 12.790 -1.554 -0.386 1.00 70.21 C ATOM 980 C ILE A 62 13.647 -2.179 0.753 1.00 54.23 C ATOM 981 O ILE A 62 14.882 -2.204 0.660 1.00 41.44 O ATOM 982 CB ILE A 62 12.243 -2.698 -1.341 1.00 22.52 C ATOM 983 CG1 ILE A 62 11.406 -3.762 -0.543 1.00 22.42 C ATOM 984 CG2 ILE A 62 13.392 -3.362 -2.145 1.00 71.40 C ATOM 985 CD1 ILE A 62 10.882 -4.925 -1.355 1.00 11.13 C ATOM 0 H ILE A 62 14.598 -0.669 -0.995 1.00 45.31 H new ATOM 0 HA ILE A 62 11.931 -1.038 0.042 1.00 70.21 H new ATOM 0 HB ILE A 62 11.571 -2.230 -2.060 1.00 22.52 H new ATOM 0 HG12 ILE A 62 12.026 -4.155 0.263 1.00 22.42 H new ATOM 0 HG13 ILE A 62 10.560 -3.257 -0.077 1.00 22.42 H new ATOM 0 HG21 ILE A 62 12.983 -4.141 -2.789 1.00 71.40 H new ATOM 0 HG22 ILE A 62 13.890 -2.610 -2.757 1.00 71.40 H new ATOM 0 HG23 ILE A 62 14.112 -3.803 -1.455 1.00 71.40 H new ATOM 0 HD11 ILE A 62 10.320 -5.597 -0.707 1.00 11.13 H new ATOM 0 HD12 ILE A 62 10.230 -4.553 -2.145 1.00 11.13 H new ATOM 0 HD13 ILE A 62 11.718 -5.465 -1.799 1.00 11.13 H new ATOM 997 N ARG A 63 12.992 -2.658 1.835 1.00 4.02 N ATOM 998 CA ARG A 63 13.670 -3.401 2.920 1.00 40.32 C ATOM 999 C ARG A 63 12.667 -4.339 3.633 1.00 64.43 C ATOM 1000 O ARG A 63 11.876 -3.883 4.467 1.00 2.24 O ATOM 1001 CB ARG A 63 14.301 -2.398 3.913 1.00 22.14 C ATOM 1002 CG ARG A 63 15.184 -3.013 5.019 1.00 42.25 C ATOM 1003 CD ARG A 63 15.825 -1.925 5.897 1.00 55.31 C ATOM 1004 NE ARG A 63 16.733 -2.478 6.918 1.00 51.40 N ATOM 1005 CZ ARG A 63 17.879 -1.939 7.277 1.00 71.13 C ATOM 1006 NH1 ARG A 63 18.378 -0.924 6.632 1.00 41.25 N ATOM 1007 NH2 ARG A 63 18.539 -2.453 8.258 1.00 63.13 N ATOM 0 H ARG A 63 11.989 -2.542 1.980 1.00 4.02 H new ATOM 0 HA ARG A 63 14.463 -4.020 2.500 1.00 40.32 H new ATOM 0 HB2 ARG A 63 14.903 -1.686 3.348 1.00 22.14 H new ATOM 0 HB3 ARG A 63 13.499 -1.832 4.387 1.00 22.14 H new ATOM 0 HG2 ARG A 63 14.582 -3.676 5.640 1.00 42.25 H new ATOM 0 HG3 ARG A 63 15.965 -3.623 4.566 1.00 42.25 H new ATOM 0 HD2 ARG A 63 16.377 -1.231 5.263 1.00 55.31 H new ATOM 0 HD3 ARG A 63 15.039 -1.351 6.388 1.00 55.31 H new ATOM 0 HE ARG A 63 16.452 -3.343 7.381 1.00 51.40 H new ATOM 0 HH11 ARG A 63 17.879 -0.532 5.833 1.00 41.25 H new ATOM 0 HH12 ARG A 63 19.267 -0.520 6.926 1.00 41.25 H new ATOM 0 HH21 ARG A 63 18.172 -3.269 8.747 1.00 63.13 H new ATOM 0 HH22 ARG A 63 19.428 -2.043 8.545 1.00 63.13 H new ATOM 1021 N ALA A 64 12.739 -5.648 3.288 1.00 53.55 N ATOM 1022 CA ALA A 64 11.854 -6.733 3.803 1.00 1.22 C ATOM 1023 C ALA A 64 10.337 -6.374 3.756 1.00 44.42 C ATOM 1024 O ALA A 64 9.638 -6.720 2.795 1.00 1.35 O ATOM 1025 CB ALA A 64 12.298 -7.189 5.208 1.00 41.45 C ATOM 0 H ALA A 64 13.433 -5.993 2.625 1.00 53.55 H new ATOM 0 HA ALA A 64 11.971 -7.575 3.121 1.00 1.22 H new ATOM 0 HB1 ALA A 64 11.636 -7.980 5.560 1.00 41.45 H new ATOM 0 HB2 ALA A 64 13.320 -7.564 5.163 1.00 41.45 H new ATOM 0 HB3 ALA A 64 12.252 -6.345 5.896 1.00 41.45 H new ATOM 1031 N TYR A 65 9.850 -5.661 4.798 1.00 50.11 N ATOM 1032 CA TYR A 65 8.449 -5.166 4.875 1.00 70.11 C ATOM 1033 C TYR A 65 8.374 -3.778 5.571 1.00 72.43 C ATOM 1034 O TYR A 65 7.303 -3.162 5.625 1.00 3.43 O ATOM 1035 CB TYR A 65 7.547 -6.205 5.603 1.00 34.14 C ATOM 1036 CG TYR A 65 7.859 -6.425 7.099 1.00 43.41 C ATOM 1037 CD1 TYR A 65 8.900 -7.257 7.514 1.00 4.44 C ATOM 1038 CD2 TYR A 65 7.100 -5.801 8.100 1.00 34.24 C ATOM 1039 CE1 TYR A 65 9.172 -7.454 8.861 1.00 43.45 C ATOM 1040 CE2 TYR A 65 7.370 -5.992 9.442 1.00 71.35 C ATOM 1041 CZ TYR A 65 8.403 -6.818 9.820 1.00 11.20 C ATOM 1042 OH TYR A 65 8.676 -7.007 11.162 1.00 53.11 O ATOM 0 H TYR A 65 10.414 -5.411 5.610 1.00 50.11 H new ATOM 0 HA TYR A 65 8.079 -5.040 3.857 1.00 70.11 H new ATOM 0 HB2 TYR A 65 6.509 -5.887 5.509 1.00 34.14 H new ATOM 0 HB3 TYR A 65 7.635 -7.161 5.087 1.00 34.14 H new ATOM 0 HD1 TYR A 65 9.506 -7.757 6.773 1.00 4.44 H new ATOM 0 HD2 TYR A 65 6.283 -5.154 7.815 1.00 34.24 H new ATOM 0 HE1 TYR A 65 9.982 -8.102 9.160 1.00 43.45 H new ATOM 0 HE2 TYR A 65 6.772 -5.494 10.191 1.00 71.35 H new ATOM 0 HH TYR A 65 8.426 -6.203 11.663 1.00 53.11 H new ATOM 1052 N SER A 66 9.527 -3.277 6.071 1.00 44.22 N ATOM 1053 CA SER A 66 9.614 -1.974 6.793 1.00 62.53 C ATOM 1054 C SER A 66 9.390 -0.758 5.860 1.00 4.32 C ATOM 1055 O SER A 66 9.121 0.339 6.354 1.00 34.13 O ATOM 1056 CB SER A 66 10.979 -1.833 7.514 1.00 55.41 C ATOM 1057 OG SER A 66 11.121 -2.800 8.543 1.00 24.52 O ATOM 0 H SER A 66 10.423 -3.758 5.989 1.00 44.22 H new ATOM 0 HA SER A 66 8.810 -1.977 7.529 1.00 62.53 H new ATOM 0 HB2 SER A 66 11.788 -1.946 6.792 1.00 55.41 H new ATOM 0 HB3 SER A 66 11.067 -0.833 7.937 1.00 55.41 H new ATOM 0 HG SER A 66 11.992 -2.688 8.979 1.00 24.52 H new ATOM 1063 N PHE A 67 9.516 -0.976 4.526 1.00 10.31 N ATOM 1064 CA PHE A 67 9.213 0.040 3.482 1.00 51.01 C ATOM 1065 C PHE A 67 9.416 -0.525 2.060 1.00 45.02 C ATOM 1066 O PHE A 67 10.267 -1.394 1.833 1.00 23.54 O ATOM 1067 CB PHE A 67 10.013 1.377 3.647 1.00 62.14 C ATOM 1068 CG PHE A 67 11.542 1.275 3.592 1.00 53.41 C ATOM 1069 CD1 PHE A 67 12.230 1.319 2.375 1.00 54.23 C ATOM 1070 CD2 PHE A 67 12.295 1.164 4.763 1.00 63.35 C ATOM 1071 CE1 PHE A 67 13.608 1.255 2.334 1.00 73.14 C ATOM 1072 CE2 PHE A 67 13.674 1.096 4.720 1.00 25.35 C ATOM 1073 CZ PHE A 67 14.331 1.144 3.504 1.00 10.30 C ATOM 0 H PHE A 67 9.832 -1.866 4.141 1.00 10.31 H new ATOM 0 HA PHE A 67 8.160 0.283 3.624 1.00 51.01 H new ATOM 0 HB2 PHE A 67 9.689 2.066 2.867 1.00 62.14 H new ATOM 0 HB3 PHE A 67 9.736 1.824 4.602 1.00 62.14 H new ATOM 0 HD1 PHE A 67 11.674 1.404 1.453 1.00 54.23 H new ATOM 0 HD2 PHE A 67 11.791 1.131 5.718 1.00 63.35 H new ATOM 0 HE1 PHE A 67 14.121 1.292 1.385 1.00 73.14 H new ATOM 0 HE2 PHE A 67 14.239 1.005 5.636 1.00 25.35 H new ATOM 0 HZ PHE A 67 15.409 1.095 3.470 1.00 10.30 H new ATOM 1083 N ILE A 68 8.594 -0.034 1.123 1.00 44.15 N ATOM 1084 CA ILE A 68 8.761 -0.261 -0.321 1.00 0.41 C ATOM 1085 C ILE A 68 8.149 0.932 -1.105 1.00 43.50 C ATOM 1086 O ILE A 68 7.087 1.451 -0.731 1.00 3.31 O ATOM 1087 CB ILE A 68 8.129 -1.634 -0.779 1.00 52.22 C ATOM 1088 CG1 ILE A 68 8.415 -1.918 -2.295 1.00 75.41 C ATOM 1089 CG2 ILE A 68 6.618 -1.702 -0.453 1.00 4.41 C ATOM 1090 CD1 ILE A 68 7.850 -3.227 -2.817 1.00 42.23 C ATOM 0 H ILE A 68 7.782 0.541 1.349 1.00 44.15 H new ATOM 0 HA ILE A 68 9.827 -0.323 -0.540 1.00 0.41 H new ATOM 0 HB ILE A 68 8.613 -2.426 -0.207 1.00 52.22 H new ATOM 0 HG12 ILE A 68 8.004 -1.100 -2.887 1.00 75.41 H new ATOM 0 HG13 ILE A 68 9.493 -1.916 -2.453 1.00 75.41 H new ATOM 0 HG21 ILE A 68 6.217 -2.661 -0.782 1.00 4.41 H new ATOM 0 HG22 ILE A 68 6.473 -1.598 0.622 1.00 4.41 H new ATOM 0 HG23 ILE A 68 6.098 -0.895 -0.969 1.00 4.41 H new ATOM 0 HD11 ILE A 68 8.098 -3.335 -3.873 1.00 42.23 H new ATOM 0 HD12 ILE A 68 8.279 -4.058 -2.256 1.00 42.23 H new ATOM 0 HD13 ILE A 68 6.767 -3.229 -2.697 1.00 42.23 H new ATOM 1102 N ARG A 69 8.834 1.377 -2.179 1.00 32.21 N ATOM 1103 CA ARG A 69 8.380 2.521 -3.012 1.00 44.41 C ATOM 1104 C ARG A 69 8.794 2.341 -4.501 1.00 42.11 C ATOM 1105 O ARG A 69 9.914 1.908 -4.810 1.00 2.03 O ATOM 1106 CB ARG A 69 8.908 3.884 -2.446 1.00 70.12 C ATOM 1107 CG ARG A 69 10.449 3.966 -2.226 1.00 13.44 C ATOM 1108 CD ARG A 69 10.908 3.574 -0.800 1.00 25.12 C ATOM 1109 NE ARG A 69 10.533 4.579 0.209 1.00 2.35 N ATOM 1110 CZ ARG A 69 11.188 5.706 0.459 1.00 31.11 C ATOM 1111 NH1 ARG A 69 12.204 6.080 -0.261 1.00 33.40 N ATOM 1112 NH2 ARG A 69 10.798 6.469 1.428 1.00 33.15 N ATOM 0 H ARG A 69 9.710 0.961 -2.495 1.00 32.21 H new ATOM 0 HA ARG A 69 7.291 2.540 -2.970 1.00 44.41 H new ATOM 0 HB2 ARG A 69 8.613 4.680 -3.129 1.00 70.12 H new ATOM 0 HB3 ARG A 69 8.412 4.080 -1.495 1.00 70.12 H new ATOM 0 HG2 ARG A 69 10.943 3.314 -2.947 1.00 13.44 H new ATOM 0 HG3 ARG A 69 10.781 4.983 -2.436 1.00 13.44 H new ATOM 0 HD2 ARG A 69 10.469 2.613 -0.532 1.00 25.12 H new ATOM 0 HD3 ARG A 69 11.990 3.443 -0.793 1.00 25.12 H new ATOM 0 HE ARG A 69 9.698 4.393 0.764 1.00 2.35 H new ATOM 0 HH11 ARG A 69 12.517 5.502 -1.041 1.00 33.40 H new ATOM 0 HH12 ARG A 69 12.688 6.951 -0.046 1.00 33.40 H new ATOM 0 HH21 ARG A 69 9.992 6.203 1.994 1.00 33.15 H new ATOM 0 HH22 ARG A 69 11.296 7.337 1.626 1.00 33.15 H new ATOM 1126 N PHE A 70 7.854 2.683 -5.408 1.00 22.11 N ATOM 1127 CA PHE A 70 8.006 2.516 -6.881 1.00 15.35 C ATOM 1128 C PHE A 70 8.183 3.872 -7.614 1.00 62.04 C ATOM 1129 O PHE A 70 8.054 4.947 -7.019 1.00 32.15 O ATOM 1130 CB PHE A 70 6.779 1.749 -7.463 1.00 13.44 C ATOM 1131 CG PHE A 70 6.709 0.277 -7.052 1.00 2.12 C ATOM 1132 CD1 PHE A 70 6.260 -0.098 -5.784 1.00 34.42 C ATOM 1133 CD2 PHE A 70 7.103 -0.733 -7.933 1.00 23.33 C ATOM 1134 CE1 PHE A 70 6.209 -1.426 -5.414 1.00 43.32 C ATOM 1135 CE2 PHE A 70 7.048 -2.061 -7.558 1.00 71.31 C ATOM 1136 CZ PHE A 70 6.602 -2.408 -6.301 1.00 13.21 C ATOM 0 H PHE A 70 6.956 3.088 -5.142 1.00 22.11 H new ATOM 0 HA PHE A 70 8.914 1.937 -7.048 1.00 15.35 H new ATOM 0 HB2 PHE A 70 5.866 2.249 -7.140 1.00 13.44 H new ATOM 0 HB3 PHE A 70 6.809 1.810 -8.551 1.00 13.44 H new ATOM 0 HD1 PHE A 70 5.948 0.662 -5.083 1.00 34.42 H new ATOM 0 HD2 PHE A 70 7.455 -0.472 -8.920 1.00 23.33 H new ATOM 0 HE1 PHE A 70 5.861 -1.698 -4.428 1.00 43.32 H new ATOM 0 HE2 PHE A 70 7.355 -2.830 -8.252 1.00 71.31 H new ATOM 0 HZ PHE A 70 6.560 -3.447 -6.010 1.00 13.21 H new ATOM 1146 N HIS A 71 8.480 3.783 -8.926 1.00 52.44 N ATOM 1147 CA HIS A 71 8.740 4.943 -9.807 1.00 41.31 C ATOM 1148 C HIS A 71 8.297 4.640 -11.261 1.00 52.22 C ATOM 1149 O HIS A 71 8.668 3.610 -11.815 1.00 53.22 O ATOM 1150 CB HIS A 71 10.257 5.290 -9.764 1.00 42.44 C ATOM 1151 CG HIS A 71 10.731 6.275 -10.807 1.00 30.13 C ATOM 1152 ND1 HIS A 71 10.237 7.556 -10.921 1.00 44.34 N ATOM 1153 CD2 HIS A 71 11.646 6.144 -11.803 1.00 63.12 C ATOM 1154 CE1 HIS A 71 10.812 8.164 -11.934 1.00 1.33 C ATOM 1155 NE2 HIS A 71 11.674 7.336 -12.481 1.00 1.34 N ATOM 0 H HIS A 71 8.547 2.889 -9.413 1.00 52.44 H new ATOM 0 HA HIS A 71 8.162 5.796 -9.452 1.00 41.31 H new ATOM 0 HB2 HIS A 71 10.492 5.691 -8.778 1.00 42.44 H new ATOM 0 HB3 HIS A 71 10.826 4.367 -9.877 1.00 42.44 H new ATOM 0 HD2 HIS A 71 12.239 5.268 -12.020 1.00 63.12 H new ATOM 0 HE1 HIS A 71 10.611 9.173 -12.262 1.00 1.33 H new ATOM 0 HE2 HIS A 71 12.269 7.546 -13.282 1.00 1.34 H new ATOM 1164 N TRP A 72 7.513 5.558 -11.863 1.00 75.01 N ATOM 1165 CA TRP A 72 7.127 5.496 -13.297 1.00 35.20 C ATOM 1166 C TRP A 72 8.381 5.527 -14.213 1.00 12.01 C ATOM 1167 O TRP A 72 9.264 6.372 -14.042 1.00 55.44 O ATOM 1168 CB TRP A 72 6.146 6.661 -13.650 1.00 61.24 C ATOM 1169 CG TRP A 72 6.644 8.049 -13.264 1.00 61.30 C ATOM 1170 CD1 TRP A 72 7.385 8.920 -14.026 1.00 31.31 C ATOM 1171 CD2 TRP A 72 6.437 8.713 -12.004 1.00 14.24 C ATOM 1172 NE1 TRP A 72 7.652 10.061 -13.315 1.00 0.33 N ATOM 1173 CE2 TRP A 72 7.083 9.961 -12.074 1.00 12.42 C ATOM 1174 CE3 TRP A 72 5.768 8.366 -10.826 1.00 45.23 C ATOM 1175 CZ2 TRP A 72 7.083 10.862 -11.011 1.00 54.43 C ATOM 1176 CZ3 TRP A 72 5.766 9.258 -9.773 1.00 54.43 C ATOM 1177 CH2 TRP A 72 6.420 10.495 -9.869 1.00 33.34 C ATOM 0 H TRP A 72 7.127 6.365 -11.373 1.00 75.01 H new ATOM 0 HA TRP A 72 6.612 4.551 -13.472 1.00 35.20 H new ATOM 0 HB2 TRP A 72 5.953 6.644 -14.723 1.00 61.24 H new ATOM 0 HB3 TRP A 72 5.193 6.480 -13.152 1.00 61.24 H new ATOM 0 HD1 TRP A 72 7.710 8.733 -15.039 1.00 31.31 H new ATOM 0 HE1 TRP A 72 8.189 10.858 -13.656 1.00 0.33 H new ATOM 0 HE3 TRP A 72 5.261 7.416 -10.742 1.00 45.23 H new ATOM 0 HZ2 TRP A 72 7.587 11.814 -11.084 1.00 54.43 H new ATOM 0 HZ3 TRP A 72 5.252 8.999 -8.859 1.00 54.43 H new ATOM 0 HH2 TRP A 72 6.401 11.171 -9.027 1.00 33.34 H new ATOM 1188 N LEU A 73 8.459 4.580 -15.160 1.00 72.13 N ATOM 1189 CA LEU A 73 9.607 4.473 -16.101 1.00 2.45 C ATOM 1190 C LEU A 73 9.622 5.639 -17.127 1.00 41.33 C ATOM 1191 O LEU A 73 10.648 6.312 -17.311 1.00 72.23 O ATOM 1192 CB LEU A 73 9.592 3.077 -16.811 1.00 5.14 C ATOM 1193 CG LEU A 73 10.429 1.942 -16.134 1.00 1.10 C ATOM 1194 CD1 LEU A 73 11.940 2.263 -16.156 1.00 54.02 C ATOM 1195 CD2 LEU A 73 9.942 1.662 -14.703 1.00 73.21 C ATOM 0 H LEU A 73 7.741 3.869 -15.302 1.00 72.13 H new ATOM 0 HA LEU A 73 10.529 4.555 -15.525 1.00 2.45 H new ATOM 0 HB2 LEU A 73 8.557 2.742 -16.883 1.00 5.14 H new ATOM 0 HB3 LEU A 73 9.956 3.208 -17.830 1.00 5.14 H new ATOM 0 HG LEU A 73 10.277 1.035 -16.718 1.00 1.10 H new ATOM 0 HD11 LEU A 73 12.491 1.453 -15.677 1.00 54.02 H new ATOM 0 HD12 LEU A 73 12.274 2.369 -17.188 1.00 54.02 H new ATOM 0 HD13 LEU A 73 12.122 3.193 -15.618 1.00 54.02 H new ATOM 0 HD21 LEU A 73 10.545 0.868 -14.262 1.00 73.21 H new ATOM 0 HD22 LEU A 73 10.038 2.567 -14.103 1.00 73.21 H new ATOM 0 HD23 LEU A 73 8.897 1.352 -14.728 1.00 73.21 H new ATOM 1207 N ASP A 74 8.474 5.869 -17.779 1.00 40.15 N ATOM 1208 CA ASP A 74 8.297 6.966 -18.758 1.00 31.24 C ATOM 1209 C ASP A 74 7.637 8.211 -18.085 1.00 4.54 C ATOM 1210 O ASP A 74 8.332 9.185 -17.778 1.00 34.23 O ATOM 1211 CB ASP A 74 7.502 6.442 -20.005 1.00 14.54 C ATOM 1212 CG ASP A 74 6.174 5.731 -19.655 1.00 5.43 C ATOM 1213 OD1 ASP A 74 6.212 4.652 -19.041 1.00 31.14 O ATOM 1214 OD2 ASP A 74 5.090 6.282 -19.928 1.00 25.24 O ATOM 0 H ASP A 74 7.637 5.302 -17.647 1.00 40.15 H new ATOM 0 HA ASP A 74 9.271 7.300 -19.116 1.00 31.24 H new ATOM 0 HB2 ASP A 74 7.288 7.282 -20.665 1.00 14.54 H new ATOM 0 HB3 ASP A 74 8.135 5.752 -20.562 1.00 14.54 H new ATOM 1219 N ASP A 75 6.316 8.130 -17.818 1.00 33.13 N ATOM 1220 CA ASP A 75 5.504 9.183 -17.178 1.00 10.34 C ATOM 1221 C ASP A 75 4.051 8.675 -17.060 1.00 71.03 C ATOM 1222 O ASP A 75 3.530 8.072 -17.999 1.00 33.42 O ATOM 1223 CB ASP A 75 5.537 10.528 -17.957 1.00 2.53 C ATOM 1224 CG ASP A 75 4.682 11.618 -17.283 1.00 41.14 C ATOM 1225 OD1 ASP A 75 5.009 12.011 -16.143 1.00 11.21 O ATOM 1226 OD2 ASP A 75 3.672 12.055 -17.868 1.00 75.53 O ATOM 0 H ASP A 75 5.769 7.301 -18.050 1.00 33.13 H new ATOM 0 HA ASP A 75 5.928 9.386 -16.195 1.00 10.34 H new ATOM 0 HB2 ASP A 75 6.568 10.875 -18.035 1.00 2.53 H new ATOM 0 HB3 ASP A 75 5.178 10.365 -18.973 1.00 2.53 H new ATOM 1231 N GLU A 76 3.395 8.943 -15.924 1.00 4.32 N ATOM 1232 CA GLU A 76 2.047 8.396 -15.625 1.00 13.43 C ATOM 1233 C GLU A 76 0.933 9.482 -15.766 1.00 11.34 C ATOM 1234 O GLU A 76 -0.165 9.353 -15.203 1.00 42.10 O ATOM 1235 CB GLU A 76 2.073 7.790 -14.192 1.00 23.33 C ATOM 1236 CG GLU A 76 0.901 6.841 -13.881 1.00 25.51 C ATOM 1237 CD GLU A 76 0.880 5.604 -14.799 1.00 62.25 C ATOM 1238 OE1 GLU A 76 1.808 4.762 -14.688 1.00 55.33 O ATOM 1239 OE2 GLU A 76 -0.022 5.485 -15.663 1.00 21.40 O ATOM 0 H GLU A 76 3.771 9.539 -15.186 1.00 4.32 H new ATOM 0 HA GLU A 76 1.804 7.619 -16.350 1.00 13.43 H new ATOM 0 HB2 GLU A 76 3.009 7.248 -14.057 1.00 23.33 H new ATOM 0 HB3 GLU A 76 2.068 8.604 -13.467 1.00 23.33 H new ATOM 0 HG2 GLU A 76 0.967 6.517 -12.842 1.00 25.51 H new ATOM 0 HG3 GLU A 76 -0.039 7.383 -13.987 1.00 25.51 H new ATOM 1246 N ASN A 77 1.243 10.552 -16.533 1.00 53.34 N ATOM 1247 CA ASN A 77 0.368 11.742 -16.753 1.00 44.45 C ATOM 1248 C ASN A 77 0.350 12.696 -15.536 1.00 33.22 C ATOM 1249 O ASN A 77 0.324 13.923 -15.699 1.00 52.24 O ATOM 1250 CB ASN A 77 -1.075 11.356 -17.216 1.00 71.23 C ATOM 1251 CG ASN A 77 -1.971 12.550 -17.574 1.00 2.40 C ATOM 1252 OD1 ASN A 77 -1.505 13.577 -18.066 1.00 20.04 O ATOM 1253 ND2 ASN A 77 -3.259 12.423 -17.336 1.00 3.00 N ATOM 0 H ASN A 77 2.130 10.620 -17.032 1.00 53.34 H new ATOM 0 HA ASN A 77 0.818 12.294 -17.578 1.00 44.45 H new ATOM 0 HB2 ASN A 77 -1.001 10.701 -18.084 1.00 71.23 H new ATOM 0 HB3 ASN A 77 -1.556 10.782 -16.424 1.00 71.23 H new ATOM 0 HD21 ASN A 77 -3.897 13.187 -17.560 1.00 3.00 H new ATOM 0 HD22 ASN A 77 -3.620 11.561 -16.927 1.00 3.00 H new ATOM 1260 N GLU A 78 0.362 12.133 -14.323 1.00 52.14 N ATOM 1261 CA GLU A 78 0.475 12.904 -13.084 1.00 13.12 C ATOM 1262 C GLU A 78 1.628 12.340 -12.219 1.00 72.04 C ATOM 1263 O GLU A 78 1.873 11.129 -12.203 1.00 14.24 O ATOM 1264 CB GLU A 78 -0.872 12.883 -12.324 1.00 35.22 C ATOM 1265 CG GLU A 78 -0.992 13.983 -11.268 1.00 60.43 C ATOM 1266 CD GLU A 78 -2.300 13.920 -10.464 1.00 61.31 C ATOM 1267 OE1 GLU A 78 -2.390 13.102 -9.526 1.00 62.33 O ATOM 1268 OE2 GLU A 78 -3.243 14.693 -10.752 1.00 10.51 O ATOM 0 H GLU A 78 0.293 11.126 -14.174 1.00 52.14 H new ATOM 0 HA GLU A 78 0.708 13.943 -13.318 1.00 13.12 H new ATOM 0 HB2 GLU A 78 -1.687 12.988 -13.041 1.00 35.22 H new ATOM 0 HB3 GLU A 78 -0.994 11.913 -11.842 1.00 35.22 H new ATOM 0 HG2 GLU A 78 -0.149 13.910 -10.581 1.00 60.43 H new ATOM 0 HG3 GLU A 78 -0.922 14.955 -11.757 1.00 60.43 H new ATOM 1275 N ARG A 79 2.332 13.238 -11.504 1.00 30.43 N ATOM 1276 CA ARG A 79 3.568 12.915 -10.762 1.00 60.40 C ATOM 1277 C ARG A 79 3.299 13.005 -9.243 1.00 4.44 C ATOM 1278 O ARG A 79 3.158 14.098 -8.682 1.00 44.00 O ATOM 1279 CB ARG A 79 4.746 13.858 -11.189 1.00 74.21 C ATOM 1280 CG ARG A 79 5.024 13.907 -12.725 1.00 24.32 C ATOM 1281 CD ARG A 79 4.060 14.846 -13.491 1.00 44.14 C ATOM 1282 NE ARG A 79 4.026 14.579 -14.937 1.00 64.11 N ATOM 1283 CZ ARG A 79 3.230 15.175 -15.798 1.00 13.45 C ATOM 1284 NH1 ARG A 79 2.447 16.146 -15.446 1.00 60.44 N ATOM 1285 NH2 ARG A 79 3.220 14.781 -17.022 1.00 11.01 N ATOM 0 H ARG A 79 2.057 14.217 -11.424 1.00 30.43 H new ATOM 0 HA ARG A 79 3.869 11.896 -11.004 1.00 60.40 H new ATOM 0 HB2 ARG A 79 4.528 14.868 -10.841 1.00 74.21 H new ATOM 0 HB3 ARG A 79 5.654 13.535 -10.680 1.00 74.21 H new ATOM 0 HG2 ARG A 79 6.050 14.236 -12.891 1.00 24.32 H new ATOM 0 HG3 ARG A 79 4.942 12.900 -13.135 1.00 24.32 H new ATOM 0 HD2 ARG A 79 3.055 14.737 -13.083 1.00 44.14 H new ATOM 0 HD3 ARG A 79 4.361 15.880 -13.325 1.00 44.14 H new ATOM 0 HE ARG A 79 4.670 13.877 -15.301 1.00 64.11 H new ATOM 0 HH11 ARG A 79 2.437 16.468 -14.478 1.00 60.44 H new ATOM 0 HH12 ARG A 79 1.841 16.588 -16.137 1.00 60.44 H new ATOM 0 HH21 ARG A 79 3.825 14.014 -17.316 1.00 11.01 H new ATOM 0 HH22 ARG A 79 2.607 15.235 -17.699 1.00 11.01 H new ATOM 1299 N ASP A 80 3.205 11.838 -8.603 1.00 42.45 N ATOM 1300 CA ASP A 80 2.803 11.699 -7.184 1.00 31.12 C ATOM 1301 C ASP A 80 3.718 10.700 -6.422 1.00 21.44 C ATOM 1302 O ASP A 80 4.771 10.305 -6.929 1.00 23.21 O ATOM 1303 CB ASP A 80 1.311 11.283 -7.140 1.00 21.22 C ATOM 1304 CG ASP A 80 0.994 10.076 -8.044 1.00 10.10 C ATOM 1305 OD1 ASP A 80 1.195 8.923 -7.609 1.00 4.43 O ATOM 1306 OD2 ASP A 80 0.553 10.286 -9.195 1.00 22.14 O ATOM 0 H ASP A 80 3.407 10.945 -9.053 1.00 42.45 H new ATOM 0 HA ASP A 80 2.923 12.653 -6.671 1.00 31.12 H new ATOM 0 HB2 ASP A 80 1.037 11.042 -6.113 1.00 21.22 H new ATOM 0 HB3 ASP A 80 0.695 12.129 -7.444 1.00 21.22 H new ATOM 1311 N TYR A 81 3.312 10.310 -5.196 1.00 43.34 N ATOM 1312 CA TYR A 81 4.140 9.461 -4.299 1.00 24.15 C ATOM 1313 C TYR A 81 3.282 8.384 -3.589 1.00 14.55 C ATOM 1314 O TYR A 81 2.282 8.705 -2.940 1.00 10.01 O ATOM 1315 CB TYR A 81 4.862 10.361 -3.254 1.00 4.42 C ATOM 1316 CG TYR A 81 5.778 9.622 -2.253 1.00 2.40 C ATOM 1317 CD1 TYR A 81 6.985 9.041 -2.667 1.00 64.01 C ATOM 1318 CD2 TYR A 81 5.453 9.531 -0.892 1.00 31.43 C ATOM 1319 CE1 TYR A 81 7.823 8.406 -1.767 1.00 31.24 C ATOM 1320 CE2 TYR A 81 6.288 8.892 0.004 1.00 15.40 C ATOM 1321 CZ TYR A 81 7.470 8.334 -0.436 1.00 73.14 C ATOM 1322 OH TYR A 81 8.308 7.714 0.469 1.00 1.54 O ATOM 0 H TYR A 81 2.410 10.569 -4.798 1.00 43.34 H new ATOM 0 HA TYR A 81 4.883 8.940 -4.903 1.00 24.15 H new ATOM 0 HB2 TYR A 81 5.460 11.099 -3.789 1.00 4.42 H new ATOM 0 HB3 TYR A 81 4.107 10.910 -2.691 1.00 4.42 H new ATOM 0 HD1 TYR A 81 7.266 9.090 -3.709 1.00 64.01 H new ATOM 0 HD2 TYR A 81 4.532 9.969 -0.537 1.00 31.43 H new ATOM 0 HE1 TYR A 81 8.750 7.968 -2.106 1.00 31.24 H new ATOM 0 HE2 TYR A 81 6.016 8.830 1.047 1.00 15.40 H new ATOM 0 HH TYR A 81 7.776 7.330 1.197 1.00 1.54 H new ATOM 1332 N PHE A 82 3.695 7.109 -3.735 1.00 42.43 N ATOM 1333 CA PHE A 82 3.122 5.959 -2.999 1.00 34.44 C ATOM 1334 C PHE A 82 4.244 5.154 -2.304 1.00 71.13 C ATOM 1335 O PHE A 82 5.086 4.532 -2.971 1.00 61.43 O ATOM 1336 CB PHE A 82 2.322 5.024 -3.953 1.00 21.12 C ATOM 1337 CG PHE A 82 0.967 5.571 -4.399 1.00 1.21 C ATOM 1338 CD1 PHE A 82 -0.112 5.589 -3.515 1.00 64.04 C ATOM 1339 CD2 PHE A 82 0.765 6.050 -5.694 1.00 40.21 C ATOM 1340 CE1 PHE A 82 -1.346 6.070 -3.911 1.00 45.05 C ATOM 1341 CE2 PHE A 82 -0.471 6.526 -6.087 1.00 1.45 C ATOM 1342 CZ PHE A 82 -1.527 6.536 -5.195 1.00 15.14 C ATOM 0 H PHE A 82 4.444 6.844 -4.374 1.00 42.43 H new ATOM 0 HA PHE A 82 2.439 6.352 -2.246 1.00 34.44 H new ATOM 0 HB2 PHE A 82 2.927 4.827 -4.838 1.00 21.12 H new ATOM 0 HB3 PHE A 82 2.166 4.067 -3.454 1.00 21.12 H new ATOM 0 HD1 PHE A 82 0.018 5.222 -2.508 1.00 64.04 H new ATOM 0 HD2 PHE A 82 1.585 6.049 -6.397 1.00 40.21 H new ATOM 0 HE1 PHE A 82 -2.170 6.081 -3.213 1.00 45.05 H new ATOM 0 HE2 PHE A 82 -0.613 6.891 -7.093 1.00 1.45 H new ATOM 0 HZ PHE A 82 -2.492 6.909 -5.504 1.00 15.14 H new ATOM 1352 N GLU A 83 4.266 5.189 -0.965 1.00 55.50 N ATOM 1353 CA GLU A 83 5.101 4.288 -0.142 1.00 54.13 C ATOM 1354 C GLU A 83 4.204 3.425 0.757 1.00 31.04 C ATOM 1355 O GLU A 83 3.380 3.946 1.511 1.00 25.21 O ATOM 1356 CB GLU A 83 6.112 5.086 0.726 1.00 40.52 C ATOM 1357 CG GLU A 83 6.932 4.225 1.727 1.00 25.02 C ATOM 1358 CD GLU A 83 7.913 5.030 2.601 1.00 44.51 C ATOM 1359 OE1 GLU A 83 7.552 6.132 3.070 1.00 25.51 O ATOM 1360 OE2 GLU A 83 9.054 4.573 2.816 1.00 4.33 O ATOM 0 H GLU A 83 3.707 5.842 -0.416 1.00 55.50 H new ATOM 0 HA GLU A 83 5.671 3.646 -0.814 1.00 54.13 H new ATOM 0 HB2 GLU A 83 6.804 5.608 0.065 1.00 40.52 H new ATOM 0 HB3 GLU A 83 5.568 5.848 1.284 1.00 40.52 H new ATOM 0 HG2 GLU A 83 6.241 3.688 2.377 1.00 25.02 H new ATOM 0 HG3 GLU A 83 7.492 3.475 1.169 1.00 25.02 H new ATOM 1367 N ILE A 84 4.373 2.101 0.670 1.00 1.32 N ATOM 1368 CA ILE A 84 3.660 1.148 1.532 1.00 54.23 C ATOM 1369 C ILE A 84 4.666 0.524 2.513 1.00 33.31 C ATOM 1370 O ILE A 84 5.695 -0.018 2.101 1.00 60.45 O ATOM 1371 CB ILE A 84 2.925 0.006 0.733 1.00 43.33 C ATOM 1372 CG1 ILE A 84 1.903 0.582 -0.323 1.00 63.24 C ATOM 1373 CG2 ILE A 84 2.218 -0.958 1.723 1.00 30.35 C ATOM 1374 CD1 ILE A 84 2.505 1.060 -1.638 1.00 23.13 C ATOM 0 H ILE A 84 5.006 1.660 0.003 1.00 1.32 H new ATOM 0 HA ILE A 84 2.884 1.704 2.057 1.00 54.23 H new ATOM 0 HB ILE A 84 3.677 -0.548 0.171 1.00 43.33 H new ATOM 0 HG12 ILE A 84 1.164 -0.189 -0.543 1.00 63.24 H new ATOM 0 HG13 ILE A 84 1.369 1.415 0.134 1.00 63.24 H new ATOM 0 HG21 ILE A 84 1.712 -1.745 1.165 1.00 30.35 H new ATOM 0 HG22 ILE A 84 2.958 -1.403 2.388 1.00 30.35 H new ATOM 0 HG23 ILE A 84 1.487 -0.403 2.312 1.00 30.35 H new ATOM 0 HD11 ILE A 84 1.713 1.435 -2.286 1.00 23.13 H new ATOM 0 HD12 ILE A 84 3.221 1.858 -1.442 1.00 23.13 H new ATOM 0 HD13 ILE A 84 3.013 0.230 -2.129 1.00 23.13 H new ATOM 1386 N LYS A 85 4.384 0.641 3.810 1.00 2.41 N ATOM 1387 CA LYS A 85 5.208 0.045 4.870 1.00 72.43 C ATOM 1388 C LYS A 85 4.318 -0.570 5.956 1.00 72.24 C ATOM 1389 O LYS A 85 3.154 -0.213 6.105 1.00 0.43 O ATOM 1390 CB LYS A 85 6.171 1.125 5.438 1.00 23.51 C ATOM 1391 CG LYS A 85 5.517 2.496 5.719 1.00 4.24 C ATOM 1392 CD LYS A 85 6.554 3.622 5.933 1.00 42.34 C ATOM 1393 CE LYS A 85 5.908 5.014 5.981 1.00 24.00 C ATOM 1394 NZ LYS A 85 6.925 6.093 6.080 1.00 73.45 N ATOM 0 H LYS A 85 3.575 1.153 4.160 1.00 2.41 H new ATOM 0 HA LYS A 85 5.813 -0.765 4.462 1.00 72.43 H new ATOM 0 HB2 LYS A 85 6.608 0.751 6.364 1.00 23.51 H new ATOM 0 HB3 LYS A 85 6.990 1.267 4.733 1.00 23.51 H new ATOM 0 HG2 LYS A 85 4.867 2.761 4.885 1.00 4.24 H new ATOM 0 HG3 LYS A 85 4.885 2.417 6.604 1.00 4.24 H new ATOM 0 HD2 LYS A 85 7.093 3.443 6.863 1.00 42.34 H new ATOM 0 HD3 LYS A 85 7.288 3.593 5.128 1.00 42.34 H new ATOM 0 HE2 LYS A 85 5.304 5.165 5.086 1.00 24.00 H new ATOM 0 HE3 LYS A 85 5.233 5.072 6.835 1.00 24.00 H new ATOM 0 HZ1 LYS A 85 6.482 6.954 6.460 1.00 73.45 H new ATOM 0 HZ2 LYS A 85 7.692 5.790 6.713 1.00 73.45 H new ATOM 0 HZ3 LYS A 85 7.313 6.292 5.136 1.00 73.45 H new ATOM 1408 N MET A 86 4.882 -1.536 6.681 1.00 42.23 N ATOM 1409 CA MET A 86 4.213 -2.233 7.794 1.00 32.20 C ATOM 1410 C MET A 86 5.236 -2.476 8.915 1.00 22.05 C ATOM 1411 O MET A 86 6.406 -2.769 8.651 1.00 71.43 O ATOM 1412 CB MET A 86 3.559 -3.573 7.314 1.00 34.25 C ATOM 1413 CG MET A 86 4.314 -4.272 6.175 1.00 11.05 C ATOM 1414 SD MET A 86 3.719 -5.933 5.829 1.00 12.44 S ATOM 1415 CE MET A 86 1.991 -5.671 5.450 1.00 73.11 C ATOM 0 H MET A 86 5.832 -1.866 6.513 1.00 42.23 H new ATOM 0 HA MET A 86 3.404 -1.610 8.177 1.00 32.20 H new ATOM 0 HB2 MET A 86 3.492 -4.255 8.162 1.00 34.25 H new ATOM 0 HB3 MET A 86 2.539 -3.369 6.987 1.00 34.25 H new ATOM 0 HG2 MET A 86 4.229 -3.669 5.271 1.00 11.05 H new ATOM 0 HG3 MET A 86 5.373 -4.320 6.428 1.00 11.05 H new ATOM 0 HE1 MET A 86 1.599 -6.540 4.921 1.00 73.11 H new ATOM 0 HE2 MET A 86 1.433 -5.527 6.375 1.00 73.11 H new ATOM 0 HE3 MET A 86 1.886 -4.786 4.822 1.00 73.11 H new ATOM 1425 N SER A 87 4.786 -2.337 10.161 1.00 72.32 N ATOM 1426 CA SER A 87 5.646 -2.489 11.355 1.00 72.01 C ATOM 1427 C SER A 87 5.027 -3.509 12.318 1.00 43.21 C ATOM 1428 O SER A 87 3.835 -3.430 12.622 1.00 52.13 O ATOM 1429 CB SER A 87 5.823 -1.124 12.061 1.00 61.23 C ATOM 1430 OG SER A 87 6.646 -1.227 13.214 1.00 32.21 O ATOM 0 H SER A 87 3.815 -2.116 10.382 1.00 72.32 H new ATOM 0 HA SER A 87 6.626 -2.849 11.043 1.00 72.01 H new ATOM 0 HB2 SER A 87 6.262 -0.409 11.365 1.00 61.23 H new ATOM 0 HB3 SER A 87 4.846 -0.733 12.346 1.00 61.23 H new ATOM 0 HG SER A 87 6.736 -0.345 13.632 1.00 32.21 H new ATOM 1436 N TYR A 88 5.840 -4.454 12.812 1.00 33.34 N ATOM 1437 CA TYR A 88 5.372 -5.497 13.739 1.00 71.05 C ATOM 1438 C TYR A 88 5.546 -5.030 15.205 1.00 43.52 C ATOM 1439 O TYR A 88 6.671 -4.820 15.676 1.00 25.24 O ATOM 1440 CB TYR A 88 6.118 -6.838 13.492 1.00 41.13 C ATOM 1441 CG TYR A 88 5.760 -7.936 14.514 1.00 12.14 C ATOM 1442 CD1 TYR A 88 4.462 -8.446 14.595 1.00 44.54 C ATOM 1443 CD2 TYR A 88 6.706 -8.431 15.421 1.00 43.44 C ATOM 1444 CE1 TYR A 88 4.125 -9.395 15.539 1.00 63.25 C ATOM 1445 CE2 TYR A 88 6.372 -9.388 16.359 1.00 4.45 C ATOM 1446 CZ TYR A 88 5.084 -9.863 16.419 1.00 14.13 C ATOM 1447 OH TYR A 88 4.748 -10.799 17.372 1.00 1.10 O ATOM 0 H TYR A 88 6.832 -4.518 12.583 1.00 33.34 H new ATOM 0 HA TYR A 88 4.311 -5.669 13.555 1.00 71.05 H new ATOM 0 HB2 TYR A 88 5.885 -7.196 12.489 1.00 41.13 H new ATOM 0 HB3 TYR A 88 7.193 -6.659 13.524 1.00 41.13 H new ATOM 0 HD1 TYR A 88 3.709 -8.092 13.907 1.00 44.54 H new ATOM 0 HD2 TYR A 88 7.718 -8.056 15.386 1.00 43.44 H new ATOM 0 HE1 TYR A 88 3.114 -9.772 15.590 1.00 63.25 H new ATOM 0 HE2 TYR A 88 7.120 -9.762 17.043 1.00 4.45 H new ATOM 0 HH TYR A 88 4.203 -11.502 16.962 1.00 1.10 H new ATOM 1457 N ASN A 89 4.417 -4.871 15.909 1.00 31.43 N ATOM 1458 CA ASN A 89 4.399 -4.531 17.338 1.00 35.22 C ATOM 1459 C ASN A 89 4.774 -5.769 18.181 1.00 2.33 C ATOM 1460 O ASN A 89 3.936 -6.634 18.438 1.00 32.05 O ATOM 1461 CB ASN A 89 3.005 -4.000 17.744 1.00 43.10 C ATOM 1462 CG ASN A 89 2.586 -2.753 16.972 1.00 41.22 C ATOM 1463 OD1 ASN A 89 2.909 -1.635 17.353 1.00 24.05 O ATOM 1464 ND2 ASN A 89 1.863 -2.938 15.889 1.00 51.22 N ATOM 0 H ASN A 89 3.488 -4.975 15.502 1.00 31.43 H new ATOM 0 HA ASN A 89 5.133 -3.747 17.524 1.00 35.22 H new ATOM 0 HB2 ASN A 89 2.265 -4.784 17.584 1.00 43.10 H new ATOM 0 HB3 ASN A 89 3.006 -3.775 18.811 1.00 43.10 H new ATOM 0 HD21 ASN A 89 1.554 -2.136 15.339 1.00 51.22 H new ATOM 0 HD22 ASN A 89 1.611 -3.883 15.599 1.00 51.22 H new ATOM 1471 N GLU A 90 6.050 -5.847 18.587 1.00 23.00 N ATOM 1472 CA GLU A 90 6.595 -6.980 19.376 1.00 2.14 C ATOM 1473 C GLU A 90 6.032 -7.030 20.825 1.00 53.53 C ATOM 1474 O GLU A 90 6.148 -8.055 21.504 1.00 22.40 O ATOM 1475 CB GLU A 90 8.143 -6.879 19.405 1.00 13.34 C ATOM 1476 CG GLU A 90 8.798 -6.858 18.010 1.00 13.21 C ATOM 1477 CD GLU A 90 10.316 -6.630 18.059 1.00 34.34 C ATOM 1478 OE1 GLU A 90 11.076 -7.606 18.236 1.00 41.11 O ATOM 1479 OE2 GLU A 90 10.760 -5.469 17.937 1.00 50.24 O ATOM 0 H GLU A 90 6.742 -5.127 18.380 1.00 23.00 H new ATOM 0 HA GLU A 90 6.283 -7.904 18.890 1.00 2.14 H new ATOM 0 HB2 GLU A 90 8.427 -5.974 19.942 1.00 13.34 H new ATOM 0 HB3 GLU A 90 8.541 -7.723 19.969 1.00 13.34 H new ATOM 0 HG2 GLU A 90 8.595 -7.803 17.506 1.00 13.21 H new ATOM 0 HG3 GLU A 90 8.338 -6.072 17.411 1.00 13.21 H new ATOM 1486 N LEU A 91 5.420 -5.913 21.277 1.00 4.31 N ATOM 1487 CA LEU A 91 4.857 -5.773 22.642 1.00 51.11 C ATOM 1488 C LEU A 91 3.423 -6.363 22.756 1.00 53.11 C ATOM 1489 O LEU A 91 2.913 -6.541 23.870 1.00 32.43 O ATOM 1490 CB LEU A 91 4.852 -4.273 23.055 1.00 14.23 C ATOM 1491 CG LEU A 91 6.251 -3.571 23.136 1.00 11.24 C ATOM 1492 CD1 LEU A 91 6.107 -2.070 23.491 1.00 73.15 C ATOM 1493 CD2 LEU A 91 7.185 -4.298 24.134 1.00 51.42 C ATOM 0 H LEU A 91 5.301 -5.078 20.703 1.00 4.31 H new ATOM 0 HA LEU A 91 5.493 -6.344 23.319 1.00 51.11 H new ATOM 0 HB2 LEU A 91 4.234 -3.724 22.344 1.00 14.23 H new ATOM 0 HB3 LEU A 91 4.369 -4.188 24.029 1.00 14.23 H new ATOM 0 HG LEU A 91 6.710 -3.633 22.149 1.00 11.24 H new ATOM 0 HD11 LEU A 91 7.095 -1.611 23.540 1.00 73.15 H new ATOM 0 HD12 LEU A 91 5.512 -1.571 22.726 1.00 73.15 H new ATOM 0 HD13 LEU A 91 5.613 -1.970 24.457 1.00 73.15 H new ATOM 0 HD21 LEU A 91 8.148 -3.788 24.169 1.00 51.42 H new ATOM 0 HD22 LEU A 91 6.734 -4.290 25.126 1.00 51.42 H new ATOM 0 HD23 LEU A 91 7.332 -5.329 23.811 1.00 51.42 H new ATOM 1505 N THR A 92 2.775 -6.656 21.605 1.00 12.21 N ATOM 1506 CA THR A 92 1.376 -7.169 21.577 1.00 53.24 C ATOM 1507 C THR A 92 1.157 -8.264 20.495 1.00 13.22 C ATOM 1508 O THR A 92 0.562 -9.312 20.776 1.00 21.40 O ATOM 1509 CB THR A 92 0.332 -5.999 21.399 1.00 50.14 C ATOM 1510 OG1 THR A 92 -1.007 -6.527 21.316 1.00 44.14 O ATOM 1511 CG2 THR A 92 0.624 -5.111 20.172 1.00 1.12 C ATOM 0 H THR A 92 3.194 -6.548 20.681 1.00 12.21 H new ATOM 0 HA THR A 92 1.209 -7.637 22.547 1.00 53.24 H new ATOM 0 HB THR A 92 0.425 -5.365 22.281 1.00 50.14 H new ATOM 0 HG1 THR A 92 -1.377 -6.342 20.428 1.00 44.14 H new ATOM 0 HG21 THR A 92 -0.128 -4.325 20.104 1.00 1.12 H new ATOM 0 HG22 THR A 92 1.611 -4.660 20.276 1.00 1.12 H new ATOM 0 HG23 THR A 92 0.596 -5.719 19.268 1.00 1.12 H new ATOM 1519 N GLY A 93 1.631 -8.015 19.264 1.00 52.54 N ATOM 1520 CA GLY A 93 1.506 -8.980 18.148 1.00 2.31 C ATOM 1521 C GLY A 93 0.848 -8.397 16.887 1.00 42.12 C ATOM 1522 O GLY A 93 0.771 -9.072 15.865 1.00 35.45 O ATOM 0 H GLY A 93 2.108 -7.150 19.011 1.00 52.54 H new ATOM 0 HA2 GLY A 93 2.498 -9.351 17.889 1.00 2.31 H new ATOM 0 HA3 GLY A 93 0.923 -9.837 18.486 1.00 2.31 H new ATOM 1526 N ASP A 94 0.376 -7.141 16.966 1.00 43.52 N ATOM 1527 CA ASP A 94 -0.323 -6.456 15.849 1.00 4.35 C ATOM 1528 C ASP A 94 0.650 -5.896 14.780 1.00 44.32 C ATOM 1529 O ASP A 94 1.874 -5.960 14.930 1.00 12.45 O ATOM 1530 CB ASP A 94 -1.208 -5.316 16.418 1.00 43.12 C ATOM 1531 CG ASP A 94 -2.339 -5.853 17.309 1.00 64.45 C ATOM 1532 OD1 ASP A 94 -2.136 -5.998 18.533 1.00 42.14 O ATOM 1533 OD2 ASP A 94 -3.424 -6.170 16.788 1.00 74.30 O ATOM 0 H ASP A 94 0.465 -6.566 17.804 1.00 43.52 H new ATOM 0 HA ASP A 94 -0.941 -7.200 15.346 1.00 4.35 H new ATOM 0 HB2 ASP A 94 -0.588 -4.629 16.994 1.00 43.12 H new ATOM 0 HB3 ASP A 94 -1.636 -4.744 15.595 1.00 43.12 H new ATOM 1538 N TYR A 95 0.072 -5.331 13.702 1.00 22.11 N ATOM 1539 CA TYR A 95 0.809 -4.615 12.632 1.00 4.12 C ATOM 1540 C TYR A 95 0.284 -3.163 12.484 1.00 73.12 C ATOM 1541 O TYR A 95 -0.925 -2.942 12.370 1.00 45.42 O ATOM 1542 CB TYR A 95 0.669 -5.371 11.265 1.00 60.11 C ATOM 1543 CG TYR A 95 1.724 -6.463 11.013 1.00 30.12 C ATOM 1544 CD1 TYR A 95 1.578 -7.758 11.517 1.00 71.43 C ATOM 1545 CD2 TYR A 95 2.868 -6.192 10.248 1.00 14.10 C ATOM 1546 CE1 TYR A 95 2.529 -8.735 11.270 1.00 1.44 C ATOM 1547 CE2 TYR A 95 3.817 -7.163 10.003 1.00 5.32 C ATOM 1548 CZ TYR A 95 3.644 -8.434 10.512 1.00 44.22 C ATOM 1549 OH TYR A 95 4.581 -9.412 10.252 1.00 64.23 O ATOM 0 H TYR A 95 -0.935 -5.357 13.544 1.00 22.11 H new ATOM 0 HA TYR A 95 1.862 -4.582 12.912 1.00 4.12 H new ATOM 0 HB2 TYR A 95 -0.321 -5.826 11.218 1.00 60.11 H new ATOM 0 HB3 TYR A 95 0.723 -4.642 10.457 1.00 60.11 H new ATOM 0 HD1 TYR A 95 0.709 -8.002 12.110 1.00 71.43 H new ATOM 0 HD2 TYR A 95 3.009 -5.201 9.842 1.00 14.10 H new ATOM 0 HE1 TYR A 95 2.399 -9.730 11.669 1.00 1.44 H new ATOM 0 HE2 TYR A 95 4.692 -6.929 9.415 1.00 5.32 H new ATOM 0 HH TYR A 95 5.480 -9.027 10.311 1.00 64.23 H new ATOM 1559 N VAL A 96 1.213 -2.184 12.488 1.00 1.21 N ATOM 1560 CA VAL A 96 0.941 -0.802 12.041 1.00 32.12 C ATOM 1561 C VAL A 96 1.166 -0.738 10.515 1.00 43.45 C ATOM 1562 O VAL A 96 2.310 -0.708 10.049 1.00 34.40 O ATOM 1563 CB VAL A 96 1.859 0.261 12.773 1.00 64.12 C ATOM 1564 CG1 VAL A 96 1.583 1.704 12.252 1.00 1.12 C ATOM 1565 CG2 VAL A 96 1.682 0.182 14.313 1.00 41.14 C ATOM 0 H VAL A 96 2.173 -2.330 12.801 1.00 1.21 H new ATOM 0 HA VAL A 96 -0.089 -0.550 12.294 1.00 32.12 H new ATOM 0 HB VAL A 96 2.896 0.018 12.540 1.00 64.12 H new ATOM 0 HG11 VAL A 96 2.229 2.409 12.775 1.00 1.12 H new ATOM 0 HG12 VAL A 96 1.786 1.750 11.182 1.00 1.12 H new ATOM 0 HG13 VAL A 96 0.540 1.963 12.434 1.00 1.12 H new ATOM 0 HG21 VAL A 96 2.323 0.922 14.791 1.00 41.14 H new ATOM 0 HG22 VAL A 96 0.642 0.382 14.570 1.00 41.14 H new ATOM 0 HG23 VAL A 96 1.956 -0.814 14.660 1.00 41.14 H new ATOM 1575 N LEU A 97 0.073 -0.762 9.748 1.00 22.33 N ATOM 1576 CA LEU A 97 0.134 -0.774 8.277 1.00 22.34 C ATOM 1577 C LEU A 97 -0.069 0.657 7.742 1.00 44.44 C ATOM 1578 O LEU A 97 -1.183 1.154 7.673 1.00 33.40 O ATOM 1579 CB LEU A 97 -0.939 -1.748 7.733 1.00 41.53 C ATOM 1580 CG LEU A 97 -1.009 -1.890 6.187 1.00 52.24 C ATOM 1581 CD1 LEU A 97 0.342 -2.368 5.605 1.00 3.21 C ATOM 1582 CD2 LEU A 97 -2.175 -2.813 5.771 1.00 4.23 C ATOM 0 H LEU A 97 -0.876 -0.774 10.123 1.00 22.33 H new ATOM 0 HA LEU A 97 1.110 -1.120 7.938 1.00 22.34 H new ATOM 0 HB2 LEU A 97 -0.757 -2.734 8.161 1.00 41.53 H new ATOM 0 HB3 LEU A 97 -1.914 -1.420 8.092 1.00 41.53 H new ATOM 0 HG LEU A 97 -1.206 -0.905 5.765 1.00 52.24 H new ATOM 0 HD11 LEU A 97 0.260 -2.457 4.522 1.00 3.21 H new ATOM 0 HD12 LEU A 97 1.120 -1.646 5.852 1.00 3.21 H new ATOM 0 HD13 LEU A 97 0.599 -3.338 6.031 1.00 3.21 H new ATOM 0 HD21 LEU A 97 -2.203 -2.897 4.685 1.00 4.23 H new ATOM 0 HD22 LEU A 97 -2.030 -3.801 6.207 1.00 4.23 H new ATOM 0 HD23 LEU A 97 -3.116 -2.394 6.127 1.00 4.23 H new ATOM 1594 N GLU A 98 1.014 1.273 7.286 1.00 24.41 N ATOM 1595 CA GLU A 98 1.054 2.717 7.002 1.00 70.25 C ATOM 1596 C GLU A 98 1.266 2.959 5.495 1.00 43.41 C ATOM 1597 O GLU A 98 2.357 2.739 4.961 1.00 13.40 O ATOM 1598 CB GLU A 98 2.180 3.369 7.857 1.00 52.15 C ATOM 1599 CG GLU A 98 2.128 4.909 7.925 1.00 11.12 C ATOM 1600 CD GLU A 98 3.146 5.512 8.916 1.00 40.21 C ATOM 1601 OE1 GLU A 98 3.021 5.272 10.135 1.00 44.50 O ATOM 1602 OE2 GLU A 98 4.076 6.220 8.484 1.00 71.44 O ATOM 0 H GLU A 98 1.894 0.793 7.100 1.00 24.41 H new ATOM 0 HA GLU A 98 0.104 3.179 7.271 1.00 70.25 H new ATOM 0 HB2 GLU A 98 2.124 2.972 8.871 1.00 52.15 H new ATOM 0 HB3 GLU A 98 3.146 3.069 7.450 1.00 52.15 H new ATOM 0 HG2 GLU A 98 2.314 5.316 6.931 1.00 11.12 H new ATOM 0 HG3 GLU A 98 1.124 5.219 8.213 1.00 11.12 H new ATOM 1609 N ILE A 99 0.194 3.377 4.804 1.00 11.22 N ATOM 1610 CA ILE A 99 0.245 3.748 3.379 1.00 63.41 C ATOM 1611 C ILE A 99 0.298 5.288 3.266 1.00 4.02 C ATOM 1612 O ILE A 99 -0.598 5.991 3.759 1.00 74.13 O ATOM 1613 CB ILE A 99 -0.982 3.162 2.547 1.00 72.45 C ATOM 1614 CG1 ILE A 99 -0.893 1.596 2.376 1.00 25.51 C ATOM 1615 CG2 ILE A 99 -1.105 3.840 1.150 1.00 61.22 C ATOM 1616 CD1 ILE A 99 -1.086 0.774 3.633 1.00 33.34 C ATOM 0 H ILE A 99 -0.734 3.468 5.217 1.00 11.22 H new ATOM 0 HA ILE A 99 1.143 3.308 2.945 1.00 63.41 H new ATOM 0 HB ILE A 99 -1.877 3.389 3.126 1.00 72.45 H new ATOM 0 HG12 ILE A 99 -1.642 1.288 1.647 1.00 25.51 H new ATOM 0 HG13 ILE A 99 0.082 1.352 1.954 1.00 25.51 H new ATOM 0 HG21 ILE A 99 -1.952 3.415 0.612 1.00 61.22 H new ATOM 0 HG22 ILE A 99 -1.257 4.912 1.278 1.00 61.22 H new ATOM 0 HG23 ILE A 99 -0.191 3.669 0.581 1.00 61.22 H new ATOM 0 HD11 ILE A 99 -1.003 -0.286 3.391 1.00 33.34 H new ATOM 0 HD12 ILE A 99 -0.321 1.040 4.363 1.00 33.34 H new ATOM 0 HD13 ILE A 99 -2.072 0.975 4.051 1.00 33.34 H new ATOM 1628 N THR A 100 1.380 5.795 2.659 1.00 4.24 N ATOM 1629 CA THR A 100 1.546 7.223 2.367 1.00 71.14 C ATOM 1630 C THR A 100 1.021 7.511 0.946 1.00 64.21 C ATOM 1631 O THR A 100 1.640 7.105 -0.046 1.00 63.14 O ATOM 1632 CB THR A 100 3.047 7.655 2.488 1.00 73.35 C ATOM 1633 OG1 THR A 100 3.543 7.348 3.807 1.00 64.44 O ATOM 1634 CG2 THR A 100 3.234 9.158 2.214 1.00 61.13 C ATOM 0 H THR A 100 2.168 5.222 2.356 1.00 4.24 H new ATOM 0 HA THR A 100 0.976 7.800 3.096 1.00 71.14 H new ATOM 0 HB THR A 100 3.608 7.099 1.737 1.00 73.35 H new ATOM 0 HG1 THR A 100 4.482 7.619 3.875 1.00 64.44 H new ATOM 0 HG21 THR A 100 4.289 9.417 2.308 1.00 61.13 H new ATOM 0 HG22 THR A 100 2.892 9.389 1.205 1.00 61.13 H new ATOM 0 HG23 THR A 100 2.654 9.734 2.935 1.00 61.13 H new ATOM 1642 N ASP A 101 -0.134 8.180 0.873 1.00 3.53 N ATOM 1643 CA ASP A 101 -0.818 8.516 -0.396 1.00 32.14 C ATOM 1644 C ASP A 101 -1.205 10.015 -0.421 1.00 13.44 C ATOM 1645 O ASP A 101 -0.959 10.744 0.536 1.00 70.34 O ATOM 1646 CB ASP A 101 -2.056 7.591 -0.592 1.00 70.24 C ATOM 1647 CG ASP A 101 -3.101 7.700 0.530 1.00 64.11 C ATOM 1648 OD1 ASP A 101 -2.795 7.295 1.676 1.00 34.14 O ATOM 1649 OD2 ASP A 101 -4.233 8.167 0.268 1.00 64.14 O ATOM 0 H ASP A 101 -0.632 8.511 1.699 1.00 3.53 H new ATOM 0 HA ASP A 101 -0.138 8.344 -1.231 1.00 32.14 H new ATOM 0 HB2 ASP A 101 -2.531 7.834 -1.542 1.00 70.24 H new ATOM 0 HB3 ASP A 101 -1.717 6.557 -0.660 1.00 70.24 H new ATOM 1654 N PHE A 102 -1.768 10.474 -1.549 1.00 15.31 N ATOM 1655 CA PHE A 102 -2.165 11.896 -1.748 1.00 14.23 C ATOM 1656 C PHE A 102 -3.696 12.016 -1.974 1.00 30.24 C ATOM 1657 O PHE A 102 -4.293 11.219 -2.712 1.00 73.43 O ATOM 1658 CB PHE A 102 -1.381 12.505 -2.960 1.00 54.02 C ATOM 1659 CG PHE A 102 -1.762 11.905 -4.321 1.00 11.35 C ATOM 1660 CD1 PHE A 102 -1.376 10.613 -4.670 1.00 54.24 C ATOM 1661 CD2 PHE A 102 -2.551 12.619 -5.228 1.00 72.21 C ATOM 1662 CE1 PHE A 102 -1.768 10.058 -5.873 1.00 31.53 C ATOM 1663 CE2 PHE A 102 -2.932 12.063 -6.433 1.00 53.04 C ATOM 1664 CZ PHE A 102 -2.544 10.783 -6.753 1.00 74.42 C ATOM 0 H PHE A 102 -1.965 9.879 -2.354 1.00 15.31 H new ATOM 0 HA PHE A 102 -1.913 12.456 -0.847 1.00 14.23 H new ATOM 0 HB2 PHE A 102 -1.556 13.581 -2.988 1.00 54.02 H new ATOM 0 HB3 PHE A 102 -0.313 12.360 -2.798 1.00 54.02 H new ATOM 0 HD1 PHE A 102 -0.763 10.038 -3.992 1.00 54.24 H new ATOM 0 HD2 PHE A 102 -2.868 13.622 -4.982 1.00 72.21 H new ATOM 0 HE1 PHE A 102 -1.466 9.052 -6.125 1.00 31.53 H new ATOM 0 HE2 PHE A 102 -3.535 12.633 -7.124 1.00 53.04 H new ATOM 0 HZ PHE A 102 -2.847 10.346 -7.693 1.00 74.42 H new ATOM 1674 N SER A 103 -4.334 12.996 -1.319 1.00 74.32 N ATOM 1675 CA SER A 103 -5.750 13.353 -1.572 1.00 52.03 C ATOM 1676 C SER A 103 -5.884 14.843 -1.908 1.00 41.24 C ATOM 1677 O SER A 103 -5.324 15.679 -1.210 1.00 43.33 O ATOM 1678 CB SER A 103 -6.610 13.030 -0.328 1.00 71.41 C ATOM 1679 OG SER A 103 -6.175 13.728 0.845 1.00 44.13 O ATOM 0 H SER A 103 -3.890 13.566 -0.599 1.00 74.32 H new ATOM 0 HA SER A 103 -6.100 12.767 -2.421 1.00 52.03 H new ATOM 0 HB2 SER A 103 -7.649 13.287 -0.534 1.00 71.41 H new ATOM 0 HB3 SER A 103 -6.579 11.957 -0.139 1.00 71.41 H new ATOM 0 HG SER A 103 -5.717 14.554 0.583 1.00 44.13 H new ATOM 1685 N GLU A 104 -6.646 15.171 -2.967 1.00 62.22 N ATOM 1686 CA GLU A 104 -7.015 16.569 -3.285 1.00 32.13 C ATOM 1687 C GLU A 104 -7.966 17.113 -2.172 1.00 43.03 C ATOM 1688 O GLU A 104 -8.621 16.320 -1.492 1.00 73.53 O ATOM 1689 CB GLU A 104 -7.685 16.595 -4.698 1.00 75.03 C ATOM 1690 CG GLU A 104 -7.525 17.892 -5.516 1.00 23.31 C ATOM 1691 CD GLU A 104 -8.334 19.087 -4.988 1.00 24.24 C ATOM 1692 OE1 GLU A 104 -9.576 19.069 -5.096 1.00 31.23 O ATOM 1693 OE2 GLU A 104 -7.737 20.020 -4.418 1.00 1.40 O ATOM 0 H GLU A 104 -7.022 14.485 -3.622 1.00 62.22 H new ATOM 0 HA GLU A 104 -6.137 17.214 -3.312 1.00 32.13 H new ATOM 0 HB2 GLU A 104 -7.277 15.771 -5.283 1.00 75.03 H new ATOM 0 HB3 GLU A 104 -8.750 16.401 -4.573 1.00 75.03 H new ATOM 0 HG2 GLU A 104 -6.470 18.165 -5.536 1.00 23.31 H new ATOM 0 HG3 GLU A 104 -7.823 17.695 -6.546 1.00 23.31 H new ATOM 1700 N ALA A 105 -7.998 18.443 -1.961 1.00 54.02 N ATOM 1701 CA ALA A 105 -8.915 19.102 -0.983 1.00 14.15 C ATOM 1702 C ALA A 105 -10.393 18.601 -1.088 1.00 71.35 C ATOM 1703 O ALA A 105 -10.990 18.212 -0.077 1.00 41.43 O ATOM 1704 CB ALA A 105 -8.843 20.629 -1.148 1.00 41.33 C ATOM 0 H ALA A 105 -7.394 19.098 -2.458 1.00 54.02 H new ATOM 0 HA ALA A 105 -8.573 18.823 0.014 1.00 14.15 H new ATOM 0 HB1 ALA A 105 -9.514 21.104 -0.432 1.00 41.33 H new ATOM 0 HB2 ALA A 105 -7.822 20.967 -0.968 1.00 41.33 H new ATOM 0 HB3 ALA A 105 -9.142 20.900 -2.161 1.00 41.33 H new ATOM 1710 N ASP A 106 -10.949 18.571 -2.320 1.00 31.32 N ATOM 1711 CA ASP A 106 -12.338 18.073 -2.579 1.00 33.23 C ATOM 1712 C ASP A 106 -12.483 16.535 -2.408 1.00 12.13 C ATOM 1713 O ASP A 106 -13.606 16.027 -2.378 1.00 12.44 O ATOM 1714 CB ASP A 106 -12.826 18.497 -3.989 1.00 45.44 C ATOM 1715 CG ASP A 106 -13.131 20.000 -4.086 1.00 45.42 C ATOM 1716 OD1 ASP A 106 -12.189 20.802 -4.219 1.00 42.11 O ATOM 1717 OD2 ASP A 106 -14.316 20.393 -3.987 1.00 22.32 O ATOM 0 H ASP A 106 -10.463 18.885 -3.160 1.00 31.32 H new ATOM 0 HA ASP A 106 -12.967 18.538 -1.820 1.00 33.23 H new ATOM 0 HB2 ASP A 106 -12.065 18.237 -4.725 1.00 45.44 H new ATOM 0 HB3 ASP A 106 -13.723 17.932 -4.244 1.00 45.44 H new ATOM 1722 N GLU A 107 -11.360 15.801 -2.305 1.00 12.34 N ATOM 1723 CA GLU A 107 -11.356 14.321 -2.092 1.00 74.34 C ATOM 1724 C GLU A 107 -10.997 13.937 -0.630 1.00 54.13 C ATOM 1725 O GLU A 107 -11.334 12.843 -0.179 1.00 73.13 O ATOM 1726 CB GLU A 107 -10.325 13.647 -3.035 1.00 64.24 C ATOM 1727 CG GLU A 107 -10.518 13.931 -4.532 1.00 10.54 C ATOM 1728 CD GLU A 107 -9.509 13.161 -5.409 1.00 45.05 C ATOM 1729 OE1 GLU A 107 -8.283 13.336 -5.216 1.00 15.22 O ATOM 1730 OE2 GLU A 107 -9.934 12.366 -6.277 1.00 44.43 O ATOM 0 H GLU A 107 -10.426 16.205 -2.365 1.00 12.34 H new ATOM 0 HA GLU A 107 -12.366 13.972 -2.308 1.00 74.34 H new ATOM 0 HB2 GLU A 107 -9.326 13.974 -2.746 1.00 64.24 H new ATOM 0 HB3 GLU A 107 -10.365 12.569 -2.879 1.00 64.24 H new ATOM 0 HG2 GLU A 107 -11.532 13.658 -4.824 1.00 10.54 H new ATOM 0 HG3 GLU A 107 -10.412 15.001 -4.713 1.00 10.54 H new ATOM 1737 N ALA A 108 -10.317 14.853 0.092 1.00 60.32 N ATOM 1738 CA ALA A 108 -9.628 14.555 1.383 1.00 44.33 C ATOM 1739 C ALA A 108 -10.565 13.999 2.479 1.00 12.34 C ATOM 1740 O ALA A 108 -10.225 13.007 3.123 1.00 40.23 O ATOM 1741 CB ALA A 108 -8.878 15.800 1.887 1.00 20.33 C ATOM 0 H ALA A 108 -10.225 15.826 -0.198 1.00 60.32 H new ATOM 0 HA ALA A 108 -8.915 13.758 1.171 1.00 44.33 H new ATOM 0 HB1 ALA A 108 -8.380 15.569 2.829 1.00 20.33 H new ATOM 0 HB2 ALA A 108 -8.135 16.101 1.148 1.00 20.33 H new ATOM 0 HB3 ALA A 108 -9.586 16.614 2.041 1.00 20.33 H new ATOM 1747 N ASP A 109 -11.749 14.622 2.664 1.00 4.11 N ATOM 1748 CA ASP A 109 -12.742 14.182 3.686 1.00 3.22 C ATOM 1749 C ASP A 109 -13.242 12.737 3.422 1.00 11.41 C ATOM 1750 O ASP A 109 -13.594 12.031 4.365 1.00 12.34 O ATOM 1751 CB ASP A 109 -13.944 15.147 3.747 1.00 72.35 C ATOM 1752 CG ASP A 109 -13.528 16.585 4.083 1.00 43.35 C ATOM 1753 OD1 ASP A 109 -13.460 16.940 5.282 1.00 13.21 O ATOM 1754 OD2 ASP A 109 -13.249 17.362 3.150 1.00 61.51 O ATOM 0 H ASP A 109 -12.047 15.433 2.122 1.00 4.11 H new ATOM 0 HA ASP A 109 -12.229 14.195 4.647 1.00 3.22 H new ATOM 0 HB2 ASP A 109 -14.463 15.137 2.788 1.00 72.35 H new ATOM 0 HB3 ASP A 109 -14.652 14.793 4.496 1.00 72.35 H new ATOM 1759 N ASP A 110 -13.267 12.324 2.133 1.00 21.32 N ATOM 1760 CA ASP A 110 -13.614 10.935 1.722 1.00 73.04 C ATOM 1761 C ASP A 110 -12.514 9.940 2.161 1.00 44.22 C ATOM 1762 O ASP A 110 -12.806 8.845 2.635 1.00 53.04 O ATOM 1763 CB ASP A 110 -13.815 10.850 0.188 1.00 15.13 C ATOM 1764 CG ASP A 110 -14.899 11.807 -0.320 1.00 50.13 C ATOM 1765 OD1 ASP A 110 -16.093 11.456 -0.245 1.00 43.30 O ATOM 1766 OD2 ASP A 110 -14.567 12.916 -0.784 1.00 13.15 O ATOM 0 H ASP A 110 -13.049 12.938 1.349 1.00 21.32 H new ATOM 0 HA ASP A 110 -14.548 10.666 2.215 1.00 73.04 H new ATOM 0 HB2 ASP A 110 -12.873 11.077 -0.311 1.00 15.13 H new ATOM 0 HB3 ASP A 110 -14.082 9.829 -0.083 1.00 15.13 H new ATOM 1771 N LEU A 111 -11.248 10.353 1.986 1.00 42.43 N ATOM 1772 CA LEU A 111 -10.052 9.565 2.392 1.00 20.23 C ATOM 1773 C LEU A 111 -9.966 9.378 3.930 1.00 62.33 C ATOM 1774 O LEU A 111 -9.547 8.323 4.418 1.00 4.02 O ATOM 1775 CB LEU A 111 -8.756 10.248 1.841 1.00 32.55 C ATOM 1776 CG LEU A 111 -8.333 9.875 0.378 1.00 33.25 C ATOM 1777 CD1 LEU A 111 -7.992 8.380 0.263 1.00 32.21 C ATOM 1778 CD2 LEU A 111 -9.405 10.288 -0.655 1.00 22.25 C ATOM 0 H LEU A 111 -11.014 11.248 1.557 1.00 42.43 H new ATOM 0 HA LEU A 111 -10.146 8.569 1.960 1.00 20.23 H new ATOM 0 HB2 LEU A 111 -8.893 11.328 1.891 1.00 32.55 H new ATOM 0 HB3 LEU A 111 -7.930 10.000 2.508 1.00 32.55 H new ATOM 0 HG LEU A 111 -7.431 10.443 0.148 1.00 33.25 H new ATOM 0 HD11 LEU A 111 -7.702 8.151 -0.762 1.00 32.21 H new ATOM 0 HD12 LEU A 111 -7.167 8.142 0.935 1.00 32.21 H new ATOM 0 HD13 LEU A 111 -8.864 7.786 0.535 1.00 32.21 H new ATOM 0 HD21 LEU A 111 -9.072 10.011 -1.655 1.00 22.25 H new ATOM 0 HD22 LEU A 111 -10.342 9.778 -0.431 1.00 22.25 H new ATOM 0 HD23 LEU A 111 -9.558 11.366 -0.609 1.00 22.25 H new ATOM 1790 N LYS A 112 -10.332 10.425 4.685 1.00 4.40 N ATOM 1791 CA LYS A 112 -10.388 10.371 6.170 1.00 35.13 C ATOM 1792 C LYS A 112 -11.611 9.539 6.639 1.00 51.54 C ATOM 1793 O LYS A 112 -11.552 8.842 7.652 1.00 21.12 O ATOM 1794 CB LYS A 112 -10.428 11.805 6.770 1.00 1.44 C ATOM 1795 CG LYS A 112 -9.414 12.796 6.154 1.00 12.32 C ATOM 1796 CD LYS A 112 -7.939 12.336 6.241 1.00 44.40 C ATOM 1797 CE LYS A 112 -7.006 13.189 5.357 1.00 1.23 C ATOM 1798 NZ LYS A 112 -7.102 14.648 5.647 1.00 44.30 N ATOM 0 H LYS A 112 -10.597 11.330 4.296 1.00 4.40 H new ATOM 0 HA LYS A 112 -9.485 9.880 6.531 1.00 35.13 H new ATOM 0 HB2 LYS A 112 -11.432 12.209 6.642 1.00 1.44 H new ATOM 0 HB3 LYS A 112 -10.245 11.740 7.843 1.00 1.44 H new ATOM 0 HG2 LYS A 112 -9.671 12.956 5.107 1.00 12.32 H new ATOM 0 HG3 LYS A 112 -9.512 13.758 6.657 1.00 12.32 H new ATOM 0 HD2 LYS A 112 -7.604 12.391 7.277 1.00 44.40 H new ATOM 0 HD3 LYS A 112 -7.868 11.291 5.938 1.00 44.40 H new ATOM 0 HE2 LYS A 112 -5.977 12.862 5.504 1.00 1.23 H new ATOM 0 HE3 LYS A 112 -7.249 13.016 4.309 1.00 1.23 H new ATOM 0 HZ1 LYS A 112 -6.505 15.175 4.978 1.00 44.30 H new ATOM 0 HZ2 LYS A 112 -8.090 14.958 5.547 1.00 44.30 H new ATOM 0 HZ3 LYS A 112 -6.778 14.831 6.618 1.00 44.30 H new ATOM 1812 N GLU A 113 -12.719 9.633 5.878 1.00 53.44 N ATOM 1813 CA GLU A 113 -13.938 8.810 6.088 1.00 70.40 C ATOM 1814 C GLU A 113 -13.666 7.320 5.771 1.00 31.00 C ATOM 1815 O GLU A 113 -14.309 6.428 6.335 1.00 30.13 O ATOM 1816 CB GLU A 113 -15.111 9.377 5.235 1.00 63.32 C ATOM 1817 CG GLU A 113 -16.444 8.593 5.289 1.00 33.33 C ATOM 1818 CD GLU A 113 -17.017 8.398 6.709 1.00 41.34 C ATOM 1819 OE1 GLU A 113 -17.519 9.379 7.299 1.00 1.44 O ATOM 1820 OE2 GLU A 113 -16.989 7.261 7.227 1.00 42.02 O ATOM 0 H GLU A 113 -12.799 10.283 5.096 1.00 53.44 H new ATOM 0 HA GLU A 113 -14.224 8.863 7.139 1.00 70.40 H new ATOM 0 HB2 GLU A 113 -15.304 10.400 5.557 1.00 63.32 H new ATOM 0 HB3 GLU A 113 -14.785 9.426 4.196 1.00 63.32 H new ATOM 0 HG2 GLU A 113 -17.183 9.116 4.682 1.00 33.33 H new ATOM 0 HG3 GLU A 113 -16.293 7.614 4.834 1.00 33.33 H new ATOM 1827 N LEU A 114 -12.688 7.058 4.875 1.00 21.14 N ATOM 1828 CA LEU A 114 -12.172 5.691 4.645 1.00 43.40 C ATOM 1829 C LEU A 114 -11.569 5.142 5.959 1.00 15.12 C ATOM 1830 O LEU A 114 -11.804 3.995 6.313 1.00 52.51 O ATOM 1831 CB LEU A 114 -11.110 5.668 3.512 1.00 24.33 C ATOM 1832 CG LEU A 114 -10.500 4.268 3.162 1.00 63.12 C ATOM 1833 CD1 LEU A 114 -11.575 3.296 2.614 1.00 2.13 C ATOM 1834 CD2 LEU A 114 -9.304 4.404 2.187 1.00 23.53 C ATOM 0 H LEU A 114 -12.242 7.773 4.301 1.00 21.14 H new ATOM 0 HA LEU A 114 -13.001 5.057 4.330 1.00 43.40 H new ATOM 0 HB2 LEU A 114 -11.563 6.079 2.610 1.00 24.33 H new ATOM 0 HB3 LEU A 114 -10.296 6.336 3.793 1.00 24.33 H new ATOM 0 HG LEU A 114 -10.121 3.836 4.088 1.00 63.12 H new ATOM 0 HD11 LEU A 114 -11.113 2.336 2.383 1.00 2.13 H new ATOM 0 HD12 LEU A 114 -12.353 3.153 3.364 1.00 2.13 H new ATOM 0 HD13 LEU A 114 -12.016 3.714 1.709 1.00 2.13 H new ATOM 0 HD21 LEU A 114 -8.903 3.416 1.963 1.00 23.53 H new ATOM 0 HD22 LEU A 114 -9.639 4.877 1.264 1.00 23.53 H new ATOM 0 HD23 LEU A 114 -8.528 5.015 2.647 1.00 23.53 H new ATOM 1846 N TRP A 115 -10.849 6.013 6.701 1.00 42.11 N ATOM 1847 CA TRP A 115 -10.254 5.660 8.011 1.00 1.33 C ATOM 1848 C TRP A 115 -11.347 5.401 9.076 1.00 53.32 C ATOM 1849 O TRP A 115 -11.226 4.457 9.854 1.00 22.14 O ATOM 1850 CB TRP A 115 -9.256 6.756 8.489 1.00 2.02 C ATOM 1851 CG TRP A 115 -8.703 6.560 9.896 1.00 35.31 C ATOM 1852 CD1 TRP A 115 -8.658 7.498 10.895 1.00 31.44 C ATOM 1853 CD2 TRP A 115 -8.143 5.353 10.467 1.00 32.42 C ATOM 1854 NE1 TRP A 115 -8.110 6.962 12.028 1.00 25.14 N ATOM 1855 CE2 TRP A 115 -7.787 5.653 11.795 1.00 75.33 C ATOM 1856 CE3 TRP A 115 -7.908 4.056 9.986 1.00 51.12 C ATOM 1857 CZ2 TRP A 115 -7.221 4.711 12.644 1.00 20.40 C ATOM 1858 CZ3 TRP A 115 -7.345 3.124 10.832 1.00 3.51 C ATOM 1859 CH2 TRP A 115 -7.007 3.456 12.149 1.00 31.04 C ATOM 0 H TRP A 115 -10.665 6.974 6.412 1.00 42.11 H new ATOM 0 HA TRP A 115 -9.695 4.733 7.879 1.00 1.33 H new ATOM 0 HB2 TRP A 115 -8.421 6.794 7.790 1.00 2.02 H new ATOM 0 HB3 TRP A 115 -9.755 7.724 8.443 1.00 2.02 H new ATOM 0 HD1 TRP A 115 -9.006 8.516 10.801 1.00 31.44 H new ATOM 0 HE1 TRP A 115 -7.965 7.459 12.907 1.00 25.14 H new ATOM 0 HE3 TRP A 115 -8.164 3.792 8.970 1.00 51.12 H new ATOM 0 HZ2 TRP A 115 -6.959 4.962 13.661 1.00 20.40 H new ATOM 0 HZ3 TRP A 115 -7.162 2.122 10.473 1.00 3.51 H new ATOM 0 HH2 TRP A 115 -6.568 2.704 12.787 1.00 31.04 H new ATOM 1870 N ASP A 116 -12.411 6.231 9.100 1.00 20.24 N ATOM 1871 CA ASP A 116 -13.569 6.022 10.010 1.00 50.33 C ATOM 1872 C ASP A 116 -14.265 4.669 9.715 1.00 40.52 C ATOM 1873 O ASP A 116 -14.734 3.978 10.630 1.00 33.33 O ATOM 1874 CB ASP A 116 -14.588 7.177 9.878 1.00 41.14 C ATOM 1875 CG ASP A 116 -14.025 8.531 10.323 1.00 43.02 C ATOM 1876 OD1 ASP A 116 -13.788 8.711 11.536 1.00 12.13 O ATOM 1877 OD2 ASP A 116 -13.835 9.431 9.481 1.00 61.23 O ATOM 0 H ASP A 116 -12.497 7.053 8.502 1.00 20.24 H new ATOM 0 HA ASP A 116 -13.189 6.005 11.032 1.00 50.33 H new ATOM 0 HB2 ASP A 116 -14.913 7.249 8.840 1.00 41.14 H new ATOM 0 HB3 ASP A 116 -15.471 6.944 10.473 1.00 41.14 H new ATOM 1882 N SER A 117 -14.299 4.309 8.420 1.00 54.34 N ATOM 1883 CA SER A 117 -14.833 3.023 7.943 1.00 25.10 C ATOM 1884 C SER A 117 -13.935 1.841 8.370 1.00 12.13 C ATOM 1885 O SER A 117 -14.436 0.811 8.822 1.00 44.54 O ATOM 1886 CB SER A 117 -14.987 3.033 6.404 1.00 74.55 C ATOM 1887 OG SER A 117 -15.484 1.796 5.910 1.00 64.30 O ATOM 0 H SER A 117 -13.954 4.908 7.670 1.00 54.34 H new ATOM 0 HA SER A 117 -15.813 2.890 8.401 1.00 25.10 H new ATOM 0 HB2 SER A 117 -15.662 3.837 6.113 1.00 74.55 H new ATOM 0 HB3 SER A 117 -14.022 3.245 5.945 1.00 74.55 H new ATOM 0 HG SER A 117 -15.568 1.843 4.935 1.00 64.30 H new ATOM 1893 N GLN A 118 -12.599 2.007 8.233 1.00 4.32 N ATOM 1894 CA GLN A 118 -11.628 0.914 8.484 1.00 64.23 C ATOM 1895 C GLN A 118 -11.442 0.635 9.986 1.00 75.25 C ATOM 1896 O GLN A 118 -11.466 -0.516 10.388 1.00 21.41 O ATOM 1897 CB GLN A 118 -10.243 1.197 7.835 1.00 42.33 C ATOM 1898 CG GLN A 118 -10.241 1.342 6.294 1.00 74.54 C ATOM 1899 CD GLN A 118 -11.066 0.283 5.556 1.00 22.14 C ATOM 1900 OE1 GLN A 118 -10.580 -0.794 5.232 1.00 42.25 O ATOM 1901 NE2 GLN A 118 -12.318 0.597 5.256 1.00 71.42 N ATOM 0 H GLN A 118 -12.168 2.887 7.950 1.00 4.32 H new ATOM 0 HA GLN A 118 -12.057 0.028 8.016 1.00 64.23 H new ATOM 0 HB2 GLN A 118 -9.840 2.112 8.268 1.00 42.33 H new ATOM 0 HB3 GLN A 118 -9.563 0.389 8.106 1.00 42.33 H new ATOM 0 HG2 GLN A 118 -10.624 2.329 6.034 1.00 74.54 H new ATOM 0 HG3 GLN A 118 -9.212 1.295 5.939 1.00 74.54 H new ATOM 0 HE21 GLN A 118 -12.699 1.500 5.537 1.00 71.42 H new ATOM 0 HE22 GLN A 118 -12.901 -0.065 4.744 1.00 71.42 H new ATOM 1910 N VAL A 119 -11.284 1.690 10.807 1.00 62.45 N ATOM 1911 CA VAL A 119 -10.946 1.536 12.247 1.00 4.33 C ATOM 1912 C VAL A 119 -12.049 0.770 13.021 1.00 34.34 C ATOM 1913 O VAL A 119 -11.750 -0.073 13.867 1.00 52.43 O ATOM 1914 CB VAL A 119 -10.638 2.920 12.940 1.00 14.22 C ATOM 1915 CG1 VAL A 119 -11.876 3.856 12.991 1.00 41.42 C ATOM 1916 CG2 VAL A 119 -10.021 2.704 14.349 1.00 41.42 C ATOM 0 H VAL A 119 -11.383 2.659 10.505 1.00 62.45 H new ATOM 0 HA VAL A 119 -10.034 0.940 12.284 1.00 4.33 H new ATOM 0 HB VAL A 119 -9.901 3.431 12.320 1.00 14.22 H new ATOM 0 HG11 VAL A 119 -11.604 4.792 13.478 1.00 41.42 H new ATOM 0 HG12 VAL A 119 -12.219 4.061 11.977 1.00 41.42 H new ATOM 0 HG13 VAL A 119 -12.675 3.373 13.554 1.00 41.42 H new ATOM 0 HG21 VAL A 119 -9.816 3.671 14.809 1.00 41.42 H new ATOM 0 HG22 VAL A 119 -10.721 2.147 14.971 1.00 41.42 H new ATOM 0 HG23 VAL A 119 -9.091 2.142 14.257 1.00 41.42 H new ATOM 1926 N SER A 120 -13.322 1.051 12.683 1.00 33.25 N ATOM 1927 CA SER A 120 -14.477 0.328 13.255 1.00 31.24 C ATOM 1928 C SER A 120 -14.521 -1.121 12.724 1.00 21.02 C ATOM 1929 O SER A 120 -14.649 -2.068 13.492 1.00 1.24 O ATOM 1930 CB SER A 120 -15.798 1.058 12.919 1.00 52.44 C ATOM 1931 OG SER A 120 -16.925 0.377 13.460 1.00 44.02 O ATOM 0 H SER A 120 -13.578 1.777 12.014 1.00 33.25 H new ATOM 0 HA SER A 120 -14.361 0.302 14.339 1.00 31.24 H new ATOM 0 HB2 SER A 120 -15.763 2.074 13.312 1.00 52.44 H new ATOM 0 HB3 SER A 120 -15.905 1.138 11.837 1.00 52.44 H new ATOM 0 HG SER A 120 -17.743 0.865 13.231 1.00 44.02 H new ATOM 1937 N LYS A 121 -14.351 -1.260 11.397 1.00 50.33 N ATOM 1938 CA LYS A 121 -14.477 -2.548 10.666 1.00 52.12 C ATOM 1939 C LYS A 121 -13.403 -3.587 11.092 1.00 42.14 C ATOM 1940 O LYS A 121 -13.696 -4.780 11.170 1.00 12.13 O ATOM 1941 CB LYS A 121 -14.392 -2.263 9.151 1.00 10.00 C ATOM 1942 CG LYS A 121 -14.755 -3.434 8.219 1.00 4.51 C ATOM 1943 CD LYS A 121 -14.709 -3.054 6.711 1.00 43.05 C ATOM 1944 CE LYS A 121 -15.864 -2.130 6.247 1.00 12.24 C ATOM 1945 NZ LYS A 121 -15.827 -0.764 6.844 1.00 43.44 N ATOM 0 H LYS A 121 -14.119 -0.475 10.788 1.00 50.33 H new ATOM 0 HA LYS A 121 -15.441 -2.992 10.916 1.00 52.12 H new ATOM 0 HB2 LYS A 121 -15.051 -1.426 8.922 1.00 10.00 H new ATOM 0 HB3 LYS A 121 -13.377 -1.942 8.919 1.00 10.00 H new ATOM 0 HG2 LYS A 121 -14.068 -4.260 8.400 1.00 4.51 H new ATOM 0 HG3 LYS A 121 -15.755 -3.791 8.467 1.00 4.51 H new ATOM 0 HD2 LYS A 121 -13.760 -2.561 6.502 1.00 43.05 H new ATOM 0 HD3 LYS A 121 -14.731 -3.968 6.118 1.00 43.05 H new ATOM 0 HE2 LYS A 121 -15.830 -2.041 5.161 1.00 12.24 H new ATOM 0 HE3 LYS A 121 -16.815 -2.600 6.499 1.00 12.24 H new ATOM 0 HZ1 LYS A 121 -16.613 -0.658 7.517 1.00 43.44 H new ATOM 0 HZ2 LYS A 121 -14.924 -0.627 7.342 1.00 43.44 H new ATOM 0 HZ3 LYS A 121 -15.918 -0.053 6.090 1.00 43.44 H new ATOM 1959 N LEU A 122 -12.176 -3.107 11.380 1.00 44.12 N ATOM 1960 CA LEU A 122 -11.048 -3.948 11.859 1.00 11.34 C ATOM 1961 C LEU A 122 -11.335 -4.515 13.265 1.00 64.12 C ATOM 1962 O LEU A 122 -10.897 -5.619 13.601 1.00 13.21 O ATOM 1963 CB LEU A 122 -9.724 -3.131 11.852 1.00 50.10 C ATOM 1964 CG LEU A 122 -9.193 -2.723 10.438 1.00 75.31 C ATOM 1965 CD1 LEU A 122 -7.999 -1.746 10.535 1.00 12.51 C ATOM 1966 CD2 LEU A 122 -8.839 -3.976 9.599 1.00 24.51 C ATOM 0 H LEU A 122 -11.933 -2.121 11.288 1.00 44.12 H new ATOM 0 HA LEU A 122 -10.938 -4.792 11.177 1.00 11.34 H new ATOM 0 HB2 LEU A 122 -9.873 -2.226 12.440 1.00 50.10 H new ATOM 0 HB3 LEU A 122 -8.954 -3.715 12.356 1.00 50.10 H new ATOM 0 HG LEU A 122 -9.994 -2.193 9.923 1.00 75.31 H new ATOM 0 HD11 LEU A 122 -7.659 -1.486 9.532 1.00 12.51 H new ATOM 0 HD12 LEU A 122 -8.310 -0.842 11.058 1.00 12.51 H new ATOM 0 HD13 LEU A 122 -7.185 -2.220 11.083 1.00 12.51 H new ATOM 0 HD21 LEU A 122 -8.472 -3.667 8.620 1.00 24.51 H new ATOM 0 HD22 LEU A 122 -8.067 -4.550 10.111 1.00 24.51 H new ATOM 0 HD23 LEU A 122 -9.728 -4.594 9.475 1.00 24.51 H new ATOM 1978 N ARG A 123 -12.080 -3.748 14.077 1.00 1.34 N ATOM 1979 CA ARG A 123 -12.540 -4.201 15.405 1.00 13.24 C ATOM 1980 C ARG A 123 -13.761 -5.144 15.270 1.00 54.25 C ATOM 1981 O ARG A 123 -13.885 -6.112 16.024 1.00 63.33 O ATOM 1982 CB ARG A 123 -12.880 -2.981 16.301 1.00 70.31 C ATOM 1983 CG ARG A 123 -11.710 -1.990 16.473 1.00 45.55 C ATOM 1984 CD ARG A 123 -12.060 -0.801 17.382 1.00 53.24 C ATOM 1985 NE ARG A 123 -12.306 -1.232 18.775 1.00 2.23 N ATOM 1986 CZ ARG A 123 -11.537 -0.959 19.813 1.00 63.14 C ATOM 1987 NH1 ARG A 123 -10.471 -0.233 19.685 1.00 23.15 N ATOM 1988 NH2 ARG A 123 -11.852 -1.419 20.975 1.00 12.23 N ATOM 0 H ARG A 123 -12.380 -2.803 13.837 1.00 1.34 H new ATOM 0 HA ARG A 123 -11.734 -4.762 15.879 1.00 13.24 H new ATOM 0 HB2 ARG A 123 -13.731 -2.453 15.872 1.00 70.31 H new ATOM 0 HB3 ARG A 123 -13.189 -3.338 17.283 1.00 70.31 H new ATOM 0 HG2 ARG A 123 -10.852 -2.518 16.889 1.00 45.55 H new ATOM 0 HG3 ARG A 123 -11.411 -1.616 15.494 1.00 45.55 H new ATOM 0 HD2 ARG A 123 -11.246 -0.077 17.364 1.00 53.24 H new ATOM 0 HD3 ARG A 123 -12.945 -0.296 16.996 1.00 53.24 H new ATOM 0 HE ARG A 123 -13.143 -1.789 18.949 1.00 2.23 H new ATOM 0 HH11 ARG A 123 -10.214 0.138 18.771 1.00 23.15 H new ATOM 0 HH12 ARG A 123 -9.889 -0.033 20.499 1.00 23.15 H new ATOM 0 HH21 ARG A 123 -12.690 -1.989 21.088 1.00 12.23 H new ATOM 0 HH22 ARG A 123 -11.263 -1.213 21.782 1.00 12.23 H new ATOM 2002 N ARG A 124 -14.644 -4.866 14.277 1.00 10.25 N ATOM 2003 CA ARG A 124 -15.845 -5.701 14.006 1.00 23.54 C ATOM 2004 C ARG A 124 -15.457 -7.136 13.588 1.00 2.22 C ATOM 2005 O ARG A 124 -16.107 -8.105 13.991 1.00 2.34 O ATOM 2006 CB ARG A 124 -16.739 -5.065 12.905 1.00 54.44 C ATOM 2007 CG ARG A 124 -17.376 -3.710 13.281 1.00 12.22 C ATOM 2008 CD ARG A 124 -18.451 -3.256 12.274 1.00 5.51 C ATOM 2009 NE ARG A 124 -19.577 -4.219 12.193 1.00 65.12 N ATOM 2010 CZ ARG A 124 -20.859 -3.906 12.162 1.00 62.43 C ATOM 2011 NH1 ARG A 124 -21.257 -2.672 12.254 1.00 55.23 N ATOM 2012 NH2 ARG A 124 -21.743 -4.846 12.067 1.00 33.45 N ATOM 0 H ARG A 124 -14.547 -4.068 13.649 1.00 10.25 H new ATOM 0 HA ARG A 124 -16.410 -5.749 14.937 1.00 23.54 H new ATOM 0 HB2 ARG A 124 -16.139 -4.930 12.005 1.00 54.44 H new ATOM 0 HB3 ARG A 124 -17.535 -5.766 12.655 1.00 54.44 H new ATOM 0 HG2 ARG A 124 -17.822 -3.786 14.272 1.00 12.22 H new ATOM 0 HG3 ARG A 124 -16.596 -2.951 13.340 1.00 12.22 H new ATOM 0 HD2 ARG A 124 -18.831 -2.277 12.566 1.00 5.51 H new ATOM 0 HD3 ARG A 124 -18.000 -3.142 11.288 1.00 5.51 H new ATOM 0 HE ARG A 124 -19.339 -5.210 12.158 1.00 65.12 H new ATOM 0 HH11 ARG A 124 -20.573 -1.922 12.353 1.00 55.23 H new ATOM 0 HH12 ARG A 124 -22.253 -2.454 12.228 1.00 55.23 H new ATOM 0 HH21 ARG A 124 -21.447 -5.821 12.017 1.00 33.45 H new ATOM 0 HH22 ARG A 124 -22.736 -4.612 12.042 1.00 33.45 H new ATOM 2026 N THR A 125 -14.398 -7.254 12.762 1.00 13.11 N ATOM 2027 CA THR A 125 -13.859 -8.563 12.333 1.00 31.11 C ATOM 2028 C THR A 125 -12.922 -9.178 13.399 1.00 3.11 C ATOM 2029 O THR A 125 -12.914 -10.401 13.583 1.00 72.32 O ATOM 2030 CB THR A 125 -13.100 -8.482 10.962 1.00 30.20 C ATOM 2031 OG1 THR A 125 -12.585 -9.773 10.620 1.00 32.41 O ATOM 2032 CG2 THR A 125 -11.940 -7.471 10.950 1.00 15.45 C ATOM 0 H THR A 125 -13.896 -6.454 12.376 1.00 13.11 H new ATOM 0 HA THR A 125 -14.728 -9.209 12.207 1.00 31.11 H new ATOM 0 HB THR A 125 -13.833 -8.137 10.233 1.00 30.20 H new ATOM 0 HG1 THR A 125 -13.253 -10.264 10.097 1.00 32.41 H new ATOM 0 HG21 THR A 125 -11.466 -7.473 9.969 1.00 15.45 H new ATOM 0 HG22 THR A 125 -12.324 -6.474 11.165 1.00 15.45 H new ATOM 0 HG23 THR A 125 -11.207 -7.749 11.708 1.00 15.45 H new ATOM 2040 N CYS A 126 -12.126 -8.307 14.076 1.00 53.55 N ATOM 2041 CA CYS A 126 -11.069 -8.707 15.053 1.00 73.05 C ATOM 2042 C CYS A 126 -9.911 -9.511 14.367 1.00 22.55 C ATOM 2043 O CYS A 126 -9.075 -10.121 15.042 1.00 53.31 O ATOM 2044 CB CYS A 126 -11.692 -9.489 16.248 1.00 62.52 C ATOM 2045 SG CYS A 126 -10.542 -9.882 17.589 1.00 24.30 S ATOM 0 H CYS A 126 -12.199 -7.296 13.959 1.00 53.55 H new ATOM 0 HA CYS A 126 -10.619 -7.796 15.449 1.00 73.05 H new ATOM 0 HB2 CYS A 126 -12.516 -8.903 16.656 1.00 62.52 H new ATOM 0 HB3 CYS A 126 -12.118 -10.419 15.871 1.00 62.52 H new ATOM 0 HG CYS A 126 -9.381 -10.188 17.090 1.00 24.30 H new ATOM 2051 N GLY A 127 -9.862 -9.461 13.012 1.00 33.54 N ATOM 2052 CA GLY A 127 -8.878 -10.209 12.219 1.00 30.41 C ATOM 2053 C GLY A 127 -8.939 -9.882 10.716 1.00 61.42 C ATOM 2054 O GLY A 127 -8.369 -8.878 10.273 1.00 45.44 O ATOM 0 H GLY A 127 -10.503 -8.902 12.450 1.00 33.54 H new ATOM 0 HA2 GLY A 127 -7.878 -9.990 12.592 1.00 30.41 H new ATOM 0 HA3 GLY A 127 -9.044 -11.277 12.359 1.00 30.41 H new ATOM 2058 N PHE A 128 -9.653 -10.727 9.926 1.00 23.43 N ATOM 2059 CA PHE A 128 -9.698 -10.622 8.433 1.00 31.14 C ATOM 2060 C PHE A 128 -11.155 -10.677 7.891 1.00 1.04 C ATOM 2061 O PHE A 128 -12.002 -11.365 8.452 1.00 31.04 O ATOM 2062 CB PHE A 128 -8.859 -11.762 7.788 1.00 42.15 C ATOM 2063 CG PHE A 128 -7.389 -11.779 8.224 1.00 32.11 C ATOM 2064 CD1 PHE A 128 -6.491 -10.825 7.745 1.00 22.41 C ATOM 2065 CD2 PHE A 128 -6.910 -12.741 9.119 1.00 14.43 C ATOM 2066 CE1 PHE A 128 -5.167 -10.826 8.149 1.00 20.55 C ATOM 2067 CE2 PHE A 128 -5.586 -12.744 9.519 1.00 40.41 C ATOM 2068 CZ PHE A 128 -4.716 -11.787 9.034 1.00 34.24 C ATOM 0 H PHE A 128 -10.211 -11.496 10.297 1.00 23.43 H new ATOM 0 HA PHE A 128 -9.274 -9.655 8.163 1.00 31.14 H new ATOM 0 HB2 PHE A 128 -9.313 -12.720 8.040 1.00 42.15 H new ATOM 0 HB3 PHE A 128 -8.904 -11.663 6.703 1.00 42.15 H new ATOM 0 HD1 PHE A 128 -6.834 -10.074 7.048 1.00 22.41 H new ATOM 0 HD2 PHE A 128 -7.584 -13.492 9.503 1.00 14.43 H new ATOM 0 HE1 PHE A 128 -4.487 -10.076 7.773 1.00 20.55 H new ATOM 0 HE2 PHE A 128 -5.232 -13.495 10.210 1.00 40.41 H new ATOM 0 HZ PHE A 128 -3.682 -11.790 9.347 1.00 34.24 H new ATOM 2078 N LEU A 129 -11.404 -9.982 6.764 1.00 10.24 N ATOM 2079 CA LEU A 129 -12.756 -9.817 6.151 1.00 73.34 C ATOM 2080 C LEU A 129 -13.050 -10.853 5.030 1.00 33.13 C ATOM 2081 O LEU A 129 -14.137 -10.827 4.432 1.00 25.12 O ATOM 2082 CB LEU A 129 -12.851 -8.384 5.566 1.00 12.03 C ATOM 2083 CG LEU A 129 -12.742 -7.220 6.603 1.00 62.20 C ATOM 2084 CD1 LEU A 129 -12.540 -5.862 5.897 1.00 40.24 C ATOM 2085 CD2 LEU A 129 -13.981 -7.193 7.535 1.00 53.10 C ATOM 0 H LEU A 129 -10.668 -9.509 6.239 1.00 10.24 H new ATOM 0 HA LEU A 129 -13.499 -9.984 6.931 1.00 73.34 H new ATOM 0 HB2 LEU A 129 -12.061 -8.261 4.825 1.00 12.03 H new ATOM 0 HB3 LEU A 129 -13.800 -8.289 5.039 1.00 12.03 H new ATOM 0 HG LEU A 129 -11.863 -7.401 7.222 1.00 62.20 H new ATOM 0 HD11 LEU A 129 -12.468 -5.071 6.643 1.00 40.24 H new ATOM 0 HD12 LEU A 129 -11.623 -5.891 5.309 1.00 40.24 H new ATOM 0 HD13 LEU A 129 -13.387 -5.664 5.240 1.00 40.24 H new ATOM 0 HD21 LEU A 129 -13.882 -6.375 8.248 1.00 53.10 H new ATOM 0 HD22 LEU A 129 -14.882 -7.048 6.939 1.00 53.10 H new ATOM 0 HD23 LEU A 129 -14.051 -8.138 8.074 1.00 53.10 H new ATOM 2097 N GLU A 130 -12.075 -11.743 4.756 1.00 51.42 N ATOM 2098 CA GLU A 130 -12.115 -12.716 3.630 1.00 64.23 C ATOM 2099 C GLU A 130 -13.393 -13.605 3.620 1.00 14.12 C ATOM 2100 O GLU A 130 -14.155 -13.608 2.646 1.00 53.04 O ATOM 2101 CB GLU A 130 -10.849 -13.608 3.693 1.00 13.21 C ATOM 2102 CG GLU A 130 -10.685 -14.579 2.508 1.00 12.13 C ATOM 2103 CD GLU A 130 -9.467 -15.505 2.645 1.00 41.04 C ATOM 2104 OE1 GLU A 130 -8.320 -15.014 2.538 1.00 11.24 O ATOM 2105 OE2 GLU A 130 -9.650 -16.728 2.843 1.00 45.33 O ATOM 0 H GLU A 130 -11.224 -11.812 5.314 1.00 51.42 H new ATOM 0 HA GLU A 130 -12.142 -12.139 2.705 1.00 64.23 H new ATOM 0 HB2 GLU A 130 -9.970 -12.965 3.742 1.00 13.21 H new ATOM 0 HB3 GLU A 130 -10.874 -14.185 4.617 1.00 13.21 H new ATOM 0 HG2 GLU A 130 -11.586 -15.186 2.417 1.00 12.13 H new ATOM 0 HG3 GLU A 130 -10.594 -14.004 1.586 1.00 12.13 H new ATOM 2112 N HIS A 131 -13.621 -14.336 4.726 1.00 74.14 N ATOM 2113 CA HIS A 131 -14.738 -15.311 4.847 1.00 24.44 C ATOM 2114 C HIS A 131 -16.071 -14.626 5.261 1.00 1.15 C ATOM 2115 O HIS A 131 -17.105 -15.292 5.379 1.00 21.42 O ATOM 2116 CB HIS A 131 -14.362 -16.413 5.870 1.00 70.33 C ATOM 2117 CG HIS A 131 -13.038 -17.071 5.589 1.00 53.31 C ATOM 2118 ND1 HIS A 131 -11.957 -16.986 6.442 1.00 41.23 N ATOM 2119 CD2 HIS A 131 -12.621 -17.816 4.539 1.00 63.32 C ATOM 2120 CE1 HIS A 131 -10.939 -17.639 5.927 1.00 13.23 C ATOM 2121 NE2 HIS A 131 -11.308 -18.150 4.773 1.00 24.35 N ATOM 0 H HIS A 131 -13.042 -14.273 5.563 1.00 74.14 H new ATOM 0 HA HIS A 131 -14.896 -15.758 3.866 1.00 24.44 H new ATOM 0 HB2 HIS A 131 -14.336 -15.976 6.868 1.00 70.33 H new ATOM 0 HB3 HIS A 131 -15.142 -17.174 5.875 1.00 70.33 H new ATOM 0 HD2 HIS A 131 -13.210 -18.096 3.678 1.00 63.32 H new ATOM 0 HE1 HIS A 131 -9.962 -17.739 6.377 1.00 13.23 H new ATOM 0 HE2 HIS A 131 -10.717 -18.704 4.153 1.00 24.35 H new ATOM 2130 N HIS A 132 -16.020 -13.303 5.514 1.00 62.40 N ATOM 2131 CA HIS A 132 -17.219 -12.488 5.791 1.00 50.40 C ATOM 2132 C HIS A 132 -18.017 -12.267 4.484 1.00 42.42 C ATOM 2133 O HIS A 132 -19.202 -12.609 4.404 1.00 13.04 O ATOM 2134 CB HIS A 132 -16.796 -11.135 6.421 1.00 24.22 C ATOM 2135 CG HIS A 132 -17.942 -10.253 6.845 1.00 31.41 C ATOM 2136 ND1 HIS A 132 -18.418 -9.209 6.077 1.00 42.13 N ATOM 2137 CD2 HIS A 132 -18.694 -10.253 7.976 1.00 13.52 C ATOM 2138 CE1 HIS A 132 -19.406 -8.612 6.713 1.00 42.43 C ATOM 2139 NE2 HIS A 132 -19.593 -9.225 7.862 1.00 24.43 N ATOM 0 H HIS A 132 -15.150 -12.771 5.532 1.00 62.40 H new ATOM 0 HA HIS A 132 -17.862 -13.011 6.499 1.00 50.40 H new ATOM 0 HB2 HIS A 132 -16.168 -11.334 7.289 1.00 24.22 H new ATOM 0 HB3 HIS A 132 -16.183 -10.591 5.703 1.00 24.22 H new ATOM 0 HD2 HIS A 132 -18.601 -10.935 8.808 1.00 13.52 H new ATOM 0 HE1 HIS A 132 -19.967 -7.763 6.352 1.00 42.43 H new ATOM 0 HE2 HIS A 132 -20.296 -8.975 8.558 1.00 24.43 H new ATOM 2148 N HIS A 133 -17.333 -11.707 3.463 1.00 35.45 N ATOM 2149 CA HIS A 133 -17.910 -11.484 2.117 1.00 60.03 C ATOM 2150 C HIS A 133 -16.822 -10.985 1.138 1.00 12.45 C ATOM 2151 O HIS A 133 -16.118 -10.021 1.436 1.00 33.34 O ATOM 2152 CB HIS A 133 -19.085 -10.462 2.166 1.00 52.22 C ATOM 2153 CG HIS A 133 -19.813 -10.281 0.851 1.00 25.44 C ATOM 2154 ND1 HIS A 133 -20.749 -11.174 0.381 1.00 51.23 N ATOM 2155 CD2 HIS A 133 -19.718 -9.321 -0.101 1.00 32.53 C ATOM 2156 CE1 HIS A 133 -21.186 -10.784 -0.794 1.00 54.11 C ATOM 2157 NE2 HIS A 133 -20.584 -9.663 -1.112 1.00 43.40 N ATOM 0 H HIS A 133 -16.365 -11.396 3.547 1.00 35.45 H new ATOM 0 HA HIS A 133 -18.301 -12.438 1.763 1.00 60.03 H new ATOM 0 HB2 HIS A 133 -19.801 -10.786 2.922 1.00 52.22 H new ATOM 0 HB3 HIS A 133 -18.697 -9.496 2.488 1.00 52.22 H new ATOM 0 HD2 HIS A 133 -19.081 -8.450 -0.071 1.00 32.53 H new ATOM 0 HE1 HIS A 133 -21.918 -11.300 -1.397 1.00 54.11 H new ATOM 0 HE2 HIS A 133 -20.734 -9.132 -1.970 1.00 43.40 H new ATOM 2166 N HIS A 134 -16.699 -11.648 -0.025 1.00 63.52 N ATOM 2167 CA HIS A 134 -15.826 -11.190 -1.130 1.00 61.52 C ATOM 2168 C HIS A 134 -16.576 -10.165 -2.025 1.00 64.02 C ATOM 2169 O HIS A 134 -17.628 -10.481 -2.589 1.00 25.42 O ATOM 2170 CB HIS A 134 -15.333 -12.398 -1.971 1.00 53.43 C ATOM 2171 CG HIS A 134 -14.384 -13.317 -1.238 1.00 52.23 C ATOM 2172 ND1 HIS A 134 -14.746 -14.563 -0.773 1.00 14.43 N ATOM 2173 CD2 HIS A 134 -13.071 -13.177 -0.922 1.00 10.43 C ATOM 2174 CE1 HIS A 134 -13.709 -15.147 -0.213 1.00 24.01 C ATOM 2175 NE2 HIS A 134 -12.680 -14.333 -0.289 1.00 33.12 N ATOM 0 H HIS A 134 -17.198 -12.514 -0.229 1.00 63.52 H new ATOM 0 HA HIS A 134 -14.954 -10.696 -0.701 1.00 61.52 H new ATOM 0 HB2 HIS A 134 -16.198 -12.974 -2.300 1.00 53.43 H new ATOM 0 HB3 HIS A 134 -14.839 -12.024 -2.868 1.00 53.43 H new ATOM 0 HD1 HIS A 134 -15.678 -14.971 -0.851 1.00 14.43 H new ATOM 0 HD2 HIS A 134 -12.450 -12.318 -1.129 1.00 10.43 H new ATOM 0 HE1 HIS A 134 -13.704 -16.130 0.234 1.00 24.01 H new ATOM 2184 N HIS A 135 -16.027 -8.938 -2.117 1.00 53.43 N ATOM 2185 CA HIS A 135 -16.576 -7.845 -2.969 1.00 52.53 C ATOM 2186 C HIS A 135 -15.466 -6.817 -3.317 1.00 24.20 C ATOM 2187 O HIS A 135 -15.544 -6.120 -4.335 1.00 24.43 O ATOM 2188 CB HIS A 135 -17.778 -7.150 -2.267 1.00 20.10 C ATOM 2189 CG HIS A 135 -18.597 -6.263 -3.172 1.00 63.11 C ATOM 2190 ND1 HIS A 135 -18.661 -4.897 -3.042 1.00 11.15 N ATOM 2191 CD2 HIS A 135 -19.401 -6.568 -4.218 1.00 72.02 C ATOM 2192 CE1 HIS A 135 -19.463 -4.400 -3.959 1.00 63.34 C ATOM 2193 NE2 HIS A 135 -19.924 -5.390 -4.684 1.00 73.34 N ATOM 0 H HIS A 135 -15.188 -8.668 -1.604 1.00 53.43 H new ATOM 0 HA HIS A 135 -16.938 -8.283 -3.899 1.00 52.53 H new ATOM 0 HB2 HIS A 135 -18.428 -7.915 -1.843 1.00 20.10 H new ATOM 0 HB3 HIS A 135 -17.403 -6.553 -1.435 1.00 20.10 H new ATOM 0 HD2 HIS A 135 -19.594 -7.555 -4.612 1.00 72.02 H new ATOM 0 HE1 HIS A 135 -19.701 -3.355 -4.092 1.00 63.34 H new ATOM 0 HE2 HIS A 135 -20.569 -5.298 -5.469 1.00 73.34 H new ATOM 2202 N HIS A 136 -14.444 -6.722 -2.443 1.00 61.20 N ATOM 2203 CA HIS A 136 -13.231 -5.908 -2.679 1.00 32.33 C ATOM 2204 C HIS A 136 -12.132 -6.758 -3.343 1.00 63.13 C ATOM 2205 O HIS A 136 -11.604 -7.701 -2.742 1.00 55.45 O ATOM 2206 CB HIS A 136 -12.714 -5.301 -1.345 1.00 62.40 C ATOM 2207 CG HIS A 136 -13.598 -4.219 -0.780 1.00 11.22 C ATOM 2208 ND1 HIS A 136 -13.236 -2.889 -0.768 1.00 73.10 N ATOM 2209 CD2 HIS A 136 -14.824 -4.273 -0.199 1.00 3.44 C ATOM 2210 CE1 HIS A 136 -14.193 -2.176 -0.212 1.00 15.11 C ATOM 2211 NE2 HIS A 136 -15.165 -2.989 0.139 1.00 32.11 N ATOM 0 H HIS A 136 -14.435 -7.210 -1.548 1.00 61.20 H new ATOM 0 HA HIS A 136 -13.491 -5.091 -3.352 1.00 32.33 H new ATOM 0 HB2 HIS A 136 -12.617 -6.099 -0.608 1.00 62.40 H new ATOM 0 HB3 HIS A 136 -11.716 -4.893 -1.506 1.00 62.40 H new ATOM 0 HD2 HIS A 136 -15.418 -5.160 -0.034 1.00 3.44 H new ATOM 0 HE1 HIS A 136 -14.182 -1.106 -0.069 1.00 15.11 H new ATOM 0 HE2 HIS A 136 -16.035 -2.709 0.591 1.00 32.11 H new TER 2220 HIS A 136