USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 731 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 133 GLN : amide:sc= -0.135 X(o=-0.8,f=-0.74) USER MOD Set 1.2: A 137 GLN : amide:sc= -0.669 K(o=-0.8,f=0.95) USER MOD Set 2.1: A 98 CYS SG : rot 89:sc= -0.908 USER MOD Set 2.2: A 118 MET CE :methyl -159:sc= 0 (180deg=0) USER MOD Set 3.1: A 3 LYS NZ :NH3+ -175:sc= 1 (180deg=0.971) USER MOD Set 3.2: A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER N :NH3+ 161:sc= -1.8! (180deg=-2.52!) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0595 USER MOD Single : A 4 ASN : amide:sc=-0.00623 X(o=-0.0062,f=-0.29) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.208 X(o=-0.21,f=0.044) USER MOD Single : A 18 TYR OH : rot 165:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.0238 X(o=-0.024,f=-0.18) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 54:sc= 0.116! USER MOD Single : A 26 SER OG : rot 180:sc= 0.0651 USER MOD Single : A 27 SER OG : rot -25:sc= 0.162 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot -7:sc= -3.65! USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.907 K(o=-0.91,f=-4!) USER MOD Single : A 107 LYS NZ :NH3+ -156:sc= -0.064 (180deg=-0.743) USER MOD Single : A 108 ASN : amide:sc= -2.5 K(o=-2.5,f=-1.7) USER MOD Single : A 109 ASN : amide:sc= -0.183 K(o=-0.18,f=-2.4!) USER MOD Single : A 115 SER OG : rot -81:sc= -0.274 USER MOD Single : A 117 SER OG : rot -38:sc= -1.74 USER MOD Single : A 120 SER OG : rot -39:sc= 0.365 USER MOD Single : A 123 GLN : amide:sc= -0.0421 X(o=-0.042,f=-0.36) USER MOD Single : A 125 SER OG : rot 27:sc= 1.23 USER MOD Single : A 132 SER OG : rot 180:sc= -0.269 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 GLN : amide:sc= -0.13 K(o=-0.13,f=-1.7!) USER MOD Single : A 149 THR OG1 : rot -47:sc= 0.759 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -3.076 13.653 -4.466 1.00 0.00 N ATOM 2 CA SER A 1 -2.906 12.320 -3.832 1.00 0.00 C ATOM 3 C SER A 1 -1.547 11.718 -4.172 1.00 0.00 C ATOM 4 O SER A 1 -1.369 11.120 -5.233 1.00 0.00 O ATOM 5 CB SER A 1 -4.028 11.401 -4.318 1.00 0.00 C ATOM 6 OG SER A 1 -5.277 12.070 -4.310 1.00 0.00 O ATOM 0 H1 SER A 1 -4.087 13.896 -4.498 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.565 14.369 -3.911 1.00 0.00 H new ATOM 0 H3 SER A 1 -2.696 13.628 -5.434 1.00 0.00 H new ATOM 0 HA SER A 1 -2.955 12.430 -2.749 1.00 0.00 H new ATOM 0 HB2 SER A 1 -3.805 11.053 -5.327 1.00 0.00 H new ATOM 0 HB3 SER A 1 -4.081 10.519 -3.680 1.00 0.00 H new ATOM 0 HG SER A 1 -5.976 11.461 -4.627 1.00 0.00 H new ATOM 14 N ILE A 2 -0.590 11.878 -3.262 1.00 0.00 N ATOM 15 CA ILE A 2 0.753 11.349 -3.466 1.00 0.00 C ATOM 16 C ILE A 2 0.764 9.830 -3.348 1.00 0.00 C ATOM 17 O ILE A 2 1.538 9.149 -4.022 1.00 0.00 O ATOM 18 CB ILE A 2 1.750 11.940 -2.449 1.00 0.00 C ATOM 19 CG1 ILE A 2 1.658 13.466 -2.438 1.00 0.00 C ATOM 20 CG2 ILE A 2 3.169 11.493 -2.775 1.00 0.00 C ATOM 21 CD1 ILE A 2 2.278 14.096 -1.209 1.00 0.00 C ATOM 0 H ILE A 2 -0.720 12.369 -2.378 1.00 0.00 H new ATOM 0 HA ILE A 2 1.060 11.637 -4.472 1.00 0.00 H new ATOM 0 HB ILE A 2 1.492 11.572 -1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 2 2.151 13.859 -3.327 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.610 13.760 -2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.861 11.919 -2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 2 3.226 10.405 -2.736 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.438 11.835 -3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 2 2.178 15.180 -1.266 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.769 13.731 -0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.334 13.831 -1.158 1.00 0.00 H new ATOM 33 N LYS A 3 -0.100 9.303 -2.487 1.00 0.00 N ATOM 34 CA LYS A 3 -0.191 7.862 -2.280 1.00 0.00 C ATOM 35 C LYS A 3 -1.551 7.480 -1.703 1.00 0.00 C ATOM 36 O LYS A 3 -1.953 7.983 -0.654 1.00 0.00 O ATOM 37 CB LYS A 3 0.927 7.389 -1.347 1.00 0.00 C ATOM 38 CG LYS A 3 2.116 6.787 -2.079 1.00 0.00 C ATOM 39 CD LYS A 3 2.683 5.589 -1.330 1.00 0.00 C ATOM 40 CE LYS A 3 4.203 5.619 -1.303 1.00 0.00 C ATOM 41 NZ LYS A 3 4.790 5.278 -2.628 1.00 0.00 N ATOM 0 H LYS A 3 -0.747 9.852 -1.921 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.078 7.372 -3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.269 8.232 -0.747 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.524 6.649 -0.656 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.812 6.481 -3.080 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.892 7.543 -2.199 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.300 5.582 -0.310 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.344 4.668 -1.804 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.541 6.610 -1.001 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.566 4.916 -0.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.826 5.227 -2.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.422 4.358 -2.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.533 6.010 -3.320 1.00 0.00 H new ATOM 55 N ASN A 4 -2.250 6.587 -2.394 1.00 0.00 N ATOM 56 CA ASN A 4 -3.565 6.138 -1.951 1.00 0.00 C ATOM 57 C ASN A 4 -3.771 4.660 -2.268 1.00 0.00 C ATOM 58 O ASN A 4 -3.460 4.202 -3.367 1.00 0.00 O ATOM 59 CB ASN A 4 -4.664 6.971 -2.613 1.00 0.00 C ATOM 60 CG ASN A 4 -4.650 6.849 -4.124 1.00 0.00 C ATOM 61 OD1 ASN A 4 -3.755 7.365 -4.793 1.00 0.00 O ATOM 62 ND2 ASN A 4 -5.647 6.163 -4.672 1.00 0.00 N ATOM 0 H ASN A 4 -1.929 6.160 -3.263 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.620 6.271 -0.871 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.635 6.653 -2.234 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.541 8.018 -2.334 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.691 6.048 -5.685 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.369 5.751 -4.080 1.00 0.00 H new ATOM 69 N GLY A 5 -4.298 3.920 -1.298 1.00 0.00 N ATOM 70 CA GLY A 5 -4.538 2.502 -1.494 1.00 0.00 C ATOM 71 C GLY A 5 -5.358 1.893 -0.372 1.00 0.00 C ATOM 72 O GLY A 5 -6.354 2.472 0.061 1.00 0.00 O ATOM 0 H GLY A 5 -4.563 4.277 -0.380 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.056 2.352 -2.441 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.583 1.981 -1.566 1.00 0.00 H new ATOM 76 N ILE A 6 -4.937 0.724 0.097 1.00 0.00 N ATOM 77 CA ILE A 6 -5.637 0.036 1.176 1.00 0.00 C ATOM 78 C ILE A 6 -4.680 -0.322 2.306 1.00 0.00 C ATOM 79 O ILE A 6 -4.172 -1.441 2.375 1.00 0.00 O ATOM 80 CB ILE A 6 -6.327 -1.247 0.670 1.00 0.00 C ATOM 81 CG1 ILE A 6 -7.248 -0.927 -0.510 1.00 0.00 C ATOM 82 CG2 ILE A 6 -7.112 -1.910 1.793 1.00 0.00 C ATOM 83 CD1 ILE A 6 -6.506 -0.670 -1.804 1.00 0.00 C ATOM 0 H ILE A 6 -4.114 0.233 -0.253 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.397 0.721 1.551 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.558 -1.942 0.332 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.940 -1.757 -0.656 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -7.848 -0.051 -0.265 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.592 -2.814 1.417 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.434 -2.170 2.606 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.873 -1.221 2.161 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.222 -0.450 -2.596 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.834 0.179 -1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.927 -1.553 -2.073 1.00 0.00 H new ATOM 95 N LEU A 7 -4.436 0.638 3.193 1.00 0.00 N ATOM 96 CA LEU A 7 -3.539 0.427 4.322 1.00 0.00 C ATOM 97 C LEU A 7 -4.251 -0.308 5.453 1.00 0.00 C ATOM 98 O LEU A 7 -5.444 -0.108 5.684 1.00 0.00 O ATOM 99 CB LEU A 7 -2.997 1.769 4.824 1.00 0.00 C ATOM 100 CG LEU A 7 -1.563 2.092 4.396 1.00 0.00 C ATOM 101 CD1 LEU A 7 -0.569 1.212 5.140 1.00 0.00 C ATOM 102 CD2 LEU A 7 -1.405 1.922 2.892 1.00 0.00 C ATOM 0 H LEU A 7 -4.848 1.570 3.151 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.706 -0.189 3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.653 2.564 4.469 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.045 1.778 5.913 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.356 3.132 4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.444 1.458 4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.663 1.383 6.212 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.775 0.164 4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.380 2.156 2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.633 0.892 2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.089 2.596 2.376 1.00 0.00 H new ATOM 114 N TYR A 8 -3.512 -1.160 6.157 1.00 0.00 N ATOM 115 CA TYR A 8 -4.071 -1.926 7.263 1.00 0.00 C ATOM 116 C TYR A 8 -3.912 -1.177 8.581 1.00 0.00 C ATOM 117 O TYR A 8 -2.795 -0.888 9.012 1.00 0.00 O ATOM 118 CB TYR A 8 -3.393 -3.295 7.357 1.00 0.00 C ATOM 119 CG TYR A 8 -3.639 -4.178 6.153 1.00 0.00 C ATOM 120 CD1 TYR A 8 -3.064 -3.883 4.923 1.00 0.00 C ATOM 121 CD2 TYR A 8 -4.445 -5.305 6.248 1.00 0.00 C ATOM 122 CE1 TYR A 8 -3.287 -4.688 3.821 1.00 0.00 C ATOM 123 CE2 TYR A 8 -4.671 -6.115 5.151 1.00 0.00 C ATOM 124 CZ TYR A 8 -4.091 -5.801 3.941 1.00 0.00 C ATOM 125 OH TYR A 8 -4.314 -6.604 2.846 1.00 0.00 O ATOM 0 H TYR A 8 -2.523 -1.337 5.980 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.135 -2.066 7.072 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.319 -3.152 7.478 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.749 -3.807 8.251 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -2.433 -3.012 4.826 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.903 -5.553 7.194 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.834 -4.446 2.871 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -5.299 -6.989 5.242 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.901 -7.347 3.099 1.00 0.00 H new ATOM 135 N LEU A 9 -5.036 -0.865 9.219 1.00 0.00 N ATOM 136 CA LEU A 9 -5.022 -0.151 10.490 1.00 0.00 C ATOM 137 C LEU A 9 -5.829 -0.899 11.544 1.00 0.00 C ATOM 138 O LEU A 9 -6.854 -1.509 11.238 1.00 0.00 O ATOM 139 CB LEU A 9 -5.580 1.263 10.312 1.00 0.00 C ATOM 140 CG LEU A 9 -7.019 1.329 9.790 1.00 0.00 C ATOM 141 CD1 LEU A 9 -7.819 2.374 10.552 1.00 0.00 C ATOM 142 CD2 LEU A 9 -7.032 1.629 8.299 1.00 0.00 C ATOM 0 H LEU A 9 -5.968 -1.096 8.876 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.988 -0.086 10.829 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.533 1.780 11.271 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.934 1.809 9.624 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.486 0.357 9.950 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.838 2.405 10.166 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.840 2.116 11.611 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.353 3.352 10.426 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.062 1.672 7.946 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.545 2.587 8.116 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.498 0.843 7.765 1.00 0.00 H new ATOM 154 N GLU A 10 -5.362 -0.848 12.787 1.00 0.00 N ATOM 155 CA GLU A 10 -6.042 -1.523 13.888 1.00 0.00 C ATOM 156 C GLU A 10 -7.111 -0.623 14.501 1.00 0.00 C ATOM 157 O GLU A 10 -6.819 0.483 14.953 1.00 0.00 O ATOM 158 CB GLU A 10 -5.035 -1.941 14.961 1.00 0.00 C ATOM 159 CG GLU A 10 -4.151 -0.800 15.442 1.00 0.00 C ATOM 160 CD GLU A 10 -4.296 -0.536 16.929 1.00 0.00 C ATOM 161 OE1 GLU A 10 -5.372 -0.842 17.484 1.00 0.00 O ATOM 162 OE2 GLU A 10 -3.333 -0.021 17.537 1.00 0.00 O ATOM 0 H GLU A 10 -4.516 -0.347 13.058 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.527 -2.414 13.489 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.575 -2.356 15.812 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.404 -2.737 14.565 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.110 -1.033 15.218 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.401 0.106 14.890 1.00 0.00 H new ATOM 169 N ASP A 11 -8.347 -1.108 14.517 1.00 0.00 N ATOM 170 CA ASP A 11 -9.458 -0.349 15.078 1.00 0.00 C ATOM 171 C ASP A 11 -9.672 -0.712 16.548 1.00 0.00 C ATOM 172 O ASP A 11 -9.811 -1.887 16.886 1.00 0.00 O ATOM 173 CB ASP A 11 -10.739 -0.618 14.283 1.00 0.00 C ATOM 174 CG ASP A 11 -11.571 0.635 14.089 1.00 0.00 C ATOM 175 OD1 ASP A 11 -11.874 1.309 15.096 1.00 0.00 O ATOM 176 OD2 ASP A 11 -11.921 0.941 12.930 1.00 0.00 O ATOM 0 H ASP A 11 -8.605 -2.023 14.148 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.215 0.711 15.013 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.479 -1.033 13.309 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.334 -1.370 14.801 1.00 0.00 H new ATOM 181 N PRO A 12 -9.698 0.289 17.446 1.00 0.00 N ATOM 182 CA PRO A 12 -9.892 0.055 18.885 1.00 0.00 C ATOM 183 C PRO A 12 -11.202 -0.668 19.198 1.00 0.00 C ATOM 184 O PRO A 12 -11.385 -1.179 20.302 1.00 0.00 O ATOM 185 CB PRO A 12 -9.911 1.465 19.484 1.00 0.00 C ATOM 186 CG PRO A 12 -9.221 2.322 18.481 1.00 0.00 C ATOM 187 CD PRO A 12 -9.536 1.721 17.142 1.00 0.00 C ATOM 0 HA PRO A 12 -9.111 -0.588 19.291 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.932 1.806 19.658 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -9.398 1.492 20.445 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -9.572 3.352 18.539 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.146 2.342 18.657 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.443 2.147 16.713 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -8.733 1.892 16.425 1.00 0.00 H new ATOM 195 N VAL A 13 -12.112 -0.704 18.229 1.00 0.00 N ATOM 196 CA VAL A 13 -13.400 -1.361 18.417 1.00 0.00 C ATOM 197 C VAL A 13 -13.239 -2.872 18.527 1.00 0.00 C ATOM 198 O VAL A 13 -13.866 -3.515 19.370 1.00 0.00 O ATOM 199 CB VAL A 13 -14.369 -1.044 17.262 1.00 0.00 C ATOM 200 CG1 VAL A 13 -15.759 -1.581 17.567 1.00 0.00 C ATOM 201 CG2 VAL A 13 -14.415 0.454 16.996 1.00 0.00 C ATOM 0 H VAL A 13 -11.981 -0.287 17.308 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.815 -0.974 19.347 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.003 -1.538 16.362 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -16.429 -1.347 16.740 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.710 -2.662 17.700 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.135 -1.119 18.480 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -15.105 0.657 16.177 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.754 0.973 17.893 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.419 0.807 16.727 1.00 0.00 H new ATOM 211 N ASN A 14 -12.396 -3.432 17.670 1.00 0.00 N ATOM 212 CA ASN A 14 -12.151 -4.871 17.666 1.00 0.00 C ATOM 213 C ASN A 14 -10.703 -5.193 18.031 1.00 0.00 C ATOM 214 O ASN A 14 -10.377 -6.333 18.360 1.00 0.00 O ATOM 215 CB ASN A 14 -12.484 -5.460 16.294 1.00 0.00 C ATOM 216 CG ASN A 14 -13.863 -5.056 15.811 1.00 0.00 C ATOM 217 OD1 ASN A 14 -14.878 -5.494 16.357 1.00 0.00 O ATOM 218 ND2 ASN A 14 -13.909 -4.216 14.785 1.00 0.00 N ATOM 0 H ASN A 14 -11.869 -2.913 16.968 1.00 0.00 H new ATOM 0 HA ASN A 14 -12.798 -5.320 18.420 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.738 -5.132 15.570 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -12.424 -6.547 16.344 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.809 -3.908 14.418 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.044 -3.878 14.363 1.00 0.00 H new ATOM 225 N HIS A 15 -9.835 -4.186 17.971 1.00 0.00 N ATOM 226 CA HIS A 15 -8.425 -4.370 18.295 1.00 0.00 C ATOM 227 C HIS A 15 -7.764 -5.343 17.320 1.00 0.00 C ATOM 228 O HIS A 15 -7.103 -6.296 17.729 1.00 0.00 O ATOM 229 CB HIS A 15 -8.271 -4.882 19.731 1.00 0.00 C ATOM 230 CG HIS A 15 -8.064 -3.791 20.736 1.00 0.00 C ATOM 231 ND1 HIS A 15 -6.850 -3.546 21.339 1.00 0.00 N ATOM 232 CD2 HIS A 15 -8.926 -2.878 21.242 1.00 0.00 C ATOM 233 CE1 HIS A 15 -6.972 -2.529 22.175 1.00 0.00 C ATOM 234 NE2 HIS A 15 -8.221 -2.106 22.133 1.00 0.00 N ATOM 0 H HIS A 15 -10.085 -3.235 17.701 1.00 0.00 H new ATOM 0 HA HIS A 15 -7.929 -3.403 18.207 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -9.160 -5.451 20.003 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -7.427 -5.570 19.774 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -9.972 -2.776 20.992 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.184 -2.115 22.787 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -8.602 -1.330 22.675 1.00 0.00 H new ATOM 243 N GLU A 16 -7.947 -5.091 16.026 1.00 0.00 N ATOM 244 CA GLU A 16 -7.368 -5.944 14.994 1.00 0.00 C ATOM 245 C GLU A 16 -7.231 -5.187 13.676 1.00 0.00 C ATOM 246 O GLU A 16 -7.930 -4.204 13.438 1.00 0.00 O ATOM 247 CB GLU A 16 -8.232 -7.190 14.790 1.00 0.00 C ATOM 248 CG GLU A 16 -7.854 -8.349 15.699 1.00 0.00 C ATOM 249 CD GLU A 16 -6.397 -8.746 15.562 1.00 0.00 C ATOM 250 OE1 GLU A 16 -6.011 -9.221 14.474 1.00 0.00 O ATOM 251 OE2 GLU A 16 -5.642 -8.580 16.543 1.00 0.00 O ATOM 0 H GLU A 16 -8.490 -4.305 15.669 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.374 -6.248 15.324 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.276 -6.930 14.962 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.151 -7.512 13.752 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.056 -8.075 16.734 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.484 -9.208 15.468 1.00 0.00 H new ATOM 258 N TRP A 17 -6.325 -5.656 12.822 1.00 0.00 N ATOM 259 CA TRP A 17 -6.098 -5.024 11.526 1.00 0.00 C ATOM 260 C TRP A 17 -7.259 -5.306 10.577 1.00 0.00 C ATOM 261 O TRP A 17 -7.780 -6.420 10.533 1.00 0.00 O ATOM 262 CB TRP A 17 -4.789 -5.523 10.911 1.00 0.00 C ATOM 263 CG TRP A 17 -3.644 -5.543 11.878 1.00 0.00 C ATOM 264 CD1 TRP A 17 -2.995 -6.645 12.357 1.00 0.00 C ATOM 265 CD2 TRP A 17 -3.010 -4.410 12.483 1.00 0.00 C ATOM 266 NE1 TRP A 17 -1.998 -6.266 13.223 1.00 0.00 N ATOM 267 CE2 TRP A 17 -1.988 -4.900 13.318 1.00 0.00 C ATOM 268 CE3 TRP A 17 -3.209 -3.028 12.401 1.00 0.00 C ATOM 269 CZ2 TRP A 17 -1.167 -4.056 14.063 1.00 0.00 C ATOM 270 CZ3 TRP A 17 -2.394 -2.194 13.141 1.00 0.00 C ATOM 271 CH2 TRP A 17 -1.384 -2.710 13.963 1.00 0.00 C ATOM 0 H TRP A 17 -5.737 -6.470 13.004 1.00 0.00 H new ATOM 0 HA TRP A 17 -6.029 -3.947 11.681 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -4.941 -6.529 10.519 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.529 -4.887 10.065 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -3.231 -7.665 12.094 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -1.368 -6.899 13.715 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -3.986 -2.621 11.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.387 -4.451 14.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -2.538 -1.125 13.085 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.764 -2.031 14.529 1.00 0.00 H new ATOM 282 N TYR A 18 -7.660 -4.290 9.819 1.00 0.00 N ATOM 283 CA TYR A 18 -8.759 -4.432 8.871 1.00 0.00 C ATOM 284 C TYR A 18 -8.445 -3.714 7.558 1.00 0.00 C ATOM 285 O TYR A 18 -8.198 -2.508 7.548 1.00 0.00 O ATOM 286 CB TYR A 18 -10.051 -3.874 9.471 1.00 0.00 C ATOM 287 CG TYR A 18 -10.679 -4.777 10.510 1.00 0.00 C ATOM 288 CD1 TYR A 18 -11.546 -5.797 10.137 1.00 0.00 C ATOM 289 CD2 TYR A 18 -10.404 -4.611 11.861 1.00 0.00 C ATOM 290 CE1 TYR A 18 -12.123 -6.624 11.083 1.00 0.00 C ATOM 291 CE2 TYR A 18 -10.974 -5.434 12.812 1.00 0.00 C ATOM 292 CZ TYR A 18 -11.832 -6.439 12.417 1.00 0.00 C ATOM 293 OH TYR A 18 -12.405 -7.261 13.363 1.00 0.00 O ATOM 0 H TYR A 18 -7.241 -3.361 9.843 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.889 -5.494 8.662 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.842 -2.905 9.924 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -10.769 -3.703 8.669 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -11.773 -5.946 9.092 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -9.733 -3.825 12.173 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -12.798 -7.410 10.778 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -10.749 -5.292 13.859 1.00 0.00 H new ATOM 0 HH TYR A 18 -11.928 -7.163 14.214 1.00 0.00 H new ATOM 303 N PRO A 19 -8.450 -4.444 6.427 1.00 0.00 N ATOM 304 CA PRO A 19 -8.163 -3.860 5.113 1.00 0.00 C ATOM 305 C PRO A 19 -9.076 -2.681 4.793 1.00 0.00 C ATOM 306 O PRO A 19 -10.172 -2.859 4.261 1.00 0.00 O ATOM 307 CB PRO A 19 -8.422 -5.015 4.139 1.00 0.00 C ATOM 308 CG PRO A 19 -8.264 -6.248 4.957 1.00 0.00 C ATOM 309 CD PRO A 19 -8.734 -5.890 6.339 1.00 0.00 C ATOM 0 HA PRO A 19 -7.150 -3.462 5.059 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.421 -4.952 3.708 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.715 -4.998 3.309 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.852 -7.068 4.545 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.225 -6.577 4.971 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.795 -6.101 6.471 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.200 -6.453 7.105 1.00 0.00 H new ATOM 317 N HIS A 20 -8.618 -1.478 5.118 1.00 0.00 N ATOM 318 CA HIS A 20 -9.394 -0.270 4.866 1.00 0.00 C ATOM 319 C HIS A 20 -8.670 0.648 3.886 1.00 0.00 C ATOM 320 O HIS A 20 -7.441 0.662 3.827 1.00 0.00 O ATOM 321 CB HIS A 20 -9.660 0.475 6.177 1.00 0.00 C ATOM 322 CG HIS A 20 -10.704 -0.176 7.031 1.00 0.00 C ATOM 323 ND1 HIS A 20 -11.925 -0.592 6.544 1.00 0.00 N ATOM 324 CD2 HIS A 20 -10.704 -0.480 8.351 1.00 0.00 C ATOM 325 CE1 HIS A 20 -12.631 -1.124 7.525 1.00 0.00 C ATOM 326 NE2 HIS A 20 -11.913 -1.069 8.633 1.00 0.00 N ATOM 0 H HIS A 20 -7.712 -1.313 5.557 1.00 0.00 H new ATOM 0 HA HIS A 20 -10.345 -0.566 4.424 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.730 0.544 6.742 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.971 1.495 5.950 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -9.903 -0.294 9.051 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -13.626 -1.534 7.437 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -12.208 -1.408 9.548 1.00 0.00 H new ATOM 335 N TYR A 21 -9.440 1.414 3.119 1.00 0.00 N ATOM 336 CA TYR A 21 -8.871 2.336 2.144 1.00 0.00 C ATOM 337 C TYR A 21 -8.345 3.593 2.826 1.00 0.00 C ATOM 338 O TYR A 21 -8.887 4.034 3.839 1.00 0.00 O ATOM 339 CB TYR A 21 -9.920 2.710 1.094 1.00 0.00 C ATOM 340 CG TYR A 21 -10.163 1.627 0.066 1.00 0.00 C ATOM 341 CD1 TYR A 21 -10.819 0.451 0.410 1.00 0.00 C ATOM 342 CD2 TYR A 21 -9.736 1.781 -1.248 1.00 0.00 C ATOM 343 CE1 TYR A 21 -11.043 -0.541 -0.526 1.00 0.00 C ATOM 344 CE2 TYR A 21 -9.956 0.793 -2.188 1.00 0.00 C ATOM 345 CZ TYR A 21 -10.608 -0.365 -1.823 1.00 0.00 C ATOM 346 OH TYR A 21 -10.830 -1.350 -2.757 1.00 0.00 O ATOM 0 H TYR A 21 -10.459 1.414 3.154 1.00 0.00 H new ATOM 0 HA TYR A 21 -8.036 1.837 1.652 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -10.860 2.939 1.597 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -9.602 3.619 0.583 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -11.159 0.310 1.425 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.225 2.687 -1.538 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -11.556 -1.449 -0.243 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -9.618 0.927 -3.205 1.00 0.00 H new ATOM 0 HH TYR A 21 -10.463 -1.070 -3.621 1.00 0.00 H new ATOM 356 N PHE A 22 -7.284 4.165 2.266 1.00 0.00 N ATOM 357 CA PHE A 22 -6.683 5.371 2.823 1.00 0.00 C ATOM 358 C PHE A 22 -5.948 6.158 1.742 1.00 0.00 C ATOM 359 O PHE A 22 -5.194 5.589 0.953 1.00 0.00 O ATOM 360 CB PHE A 22 -5.718 5.005 3.954 1.00 0.00 C ATOM 361 CG PHE A 22 -5.876 5.855 5.181 1.00 0.00 C ATOM 362 CD1 PHE A 22 -5.734 7.232 5.110 1.00 0.00 C ATOM 363 CD2 PHE A 22 -6.163 5.277 6.407 1.00 0.00 C ATOM 364 CE1 PHE A 22 -5.877 8.017 6.240 1.00 0.00 C ATOM 365 CE2 PHE A 22 -6.307 6.056 7.540 1.00 0.00 C ATOM 366 CZ PHE A 22 -6.164 7.428 7.455 1.00 0.00 C ATOM 0 H PHE A 22 -6.823 3.813 1.427 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.480 5.998 3.224 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.869 3.960 4.225 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.695 5.095 3.590 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.509 7.697 4.162 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.276 4.205 6.478 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.764 9.089 6.172 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -6.531 5.593 8.490 1.00 0.00 H new ATOM 0 HZ PHE A 22 -6.277 8.039 8.338 1.00 0.00 H new ATOM 376 N VAL A 23 -6.171 7.467 1.712 1.00 0.00 N ATOM 377 CA VAL A 23 -5.528 8.328 0.726 1.00 0.00 C ATOM 378 C VAL A 23 -4.620 9.350 1.399 1.00 0.00 C ATOM 379 O VAL A 23 -4.974 9.929 2.426 1.00 0.00 O ATOM 380 CB VAL A 23 -6.566 9.067 -0.138 1.00 0.00 C ATOM 381 CG1 VAL A 23 -5.884 9.806 -1.282 1.00 0.00 C ATOM 382 CG2 VAL A 23 -7.610 8.097 -0.665 1.00 0.00 C ATOM 0 H VAL A 23 -6.791 7.955 2.358 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.929 7.682 0.084 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.072 9.804 0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.635 10.322 -1.881 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.180 10.533 -0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.348 9.092 -1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.335 8.638 -1.273 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.124 7.334 -1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.121 7.622 0.172 1.00 0.00 H new ATOM 392 N LEU A 24 -3.448 9.568 0.813 1.00 0.00 N ATOM 393 CA LEU A 24 -2.488 10.522 1.355 1.00 0.00 C ATOM 394 C LEU A 24 -2.212 11.642 0.357 1.00 0.00 C ATOM 395 O LEU A 24 -1.489 11.452 -0.621 1.00 0.00 O ATOM 396 CB LEU A 24 -1.183 9.810 1.715 1.00 0.00 C ATOM 397 CG LEU A 24 -0.157 10.673 2.452 1.00 0.00 C ATOM 398 CD1 LEU A 24 -0.749 11.219 3.742 1.00 0.00 C ATOM 399 CD2 LEU A 24 1.104 9.873 2.739 1.00 0.00 C ATOM 0 H LEU A 24 -3.140 9.097 -0.038 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.916 10.961 2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.418 8.944 2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.728 9.433 0.799 1.00 0.00 H new ATOM 0 HG LEU A 24 0.109 11.515 1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.006 11.830 4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.623 11.828 3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.043 10.391 4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.823 10.503 3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.855 9.012 3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.539 9.530 1.800 1.00 0.00 H new ATOM 411 N THR A 25 -2.790 12.811 0.614 1.00 0.00 N ATOM 412 CA THR A 25 -2.607 13.963 -0.260 1.00 0.00 C ATOM 413 C THR A 25 -1.573 14.923 0.320 1.00 0.00 C ATOM 414 O THR A 25 -1.423 15.032 1.537 1.00 0.00 O ATOM 415 CB THR A 25 -3.936 14.688 -0.472 1.00 0.00 C ATOM 416 OG1 THR A 25 -4.814 14.458 0.614 1.00 0.00 O ATOM 417 CG2 THR A 25 -4.651 14.269 -1.736 1.00 0.00 C ATOM 0 H THR A 25 -3.389 12.985 1.421 1.00 0.00 H new ATOM 0 HA THR A 25 -2.244 13.604 -1.223 1.00 0.00 H new ATOM 0 HB THR A 25 -3.677 15.744 -0.553 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.367 14.698 1.452 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.586 14.821 -1.825 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.020 14.482 -2.599 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.863 13.201 -1.697 1.00 0.00 H new ATOM 425 N SER A 26 -0.861 15.617 -0.563 1.00 0.00 N ATOM 426 CA SER A 26 0.162 16.569 -0.145 1.00 0.00 C ATOM 427 C SER A 26 -0.437 17.723 0.658 1.00 0.00 C ATOM 428 O SER A 26 0.289 18.474 1.309 1.00 0.00 O ATOM 429 CB SER A 26 0.902 17.119 -1.367 1.00 0.00 C ATOM 430 OG SER A 26 0.065 17.119 -2.511 1.00 0.00 O ATOM 0 H SER A 26 -0.974 15.537 -1.574 1.00 0.00 H new ATOM 0 HA SER A 26 0.864 16.038 0.498 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.245 18.133 -1.163 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.789 16.516 -1.561 1.00 0.00 H new ATOM 0 HG SER A 26 0.559 17.476 -3.278 1.00 0.00 H new ATOM 436 N SER A 27 -1.758 17.868 0.605 1.00 0.00 N ATOM 437 CA SER A 27 -2.430 18.941 1.329 1.00 0.00 C ATOM 438 C SER A 27 -3.166 18.417 2.560 1.00 0.00 C ATOM 439 O SER A 27 -3.567 19.195 3.425 1.00 0.00 O ATOM 440 CB SER A 27 -3.411 19.668 0.407 1.00 0.00 C ATOM 441 OG SER A 27 -3.897 20.851 1.014 1.00 0.00 O ATOM 0 H SER A 27 -2.380 17.260 0.072 1.00 0.00 H new ATOM 0 HA SER A 27 -1.664 19.639 1.668 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.918 19.914 -0.533 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.245 19.009 0.166 1.00 0.00 H new ATOM 0 HG SER A 27 -3.836 20.767 1.989 1.00 0.00 H new ATOM 447 N LYS A 28 -3.346 17.099 2.641 1.00 0.00 N ATOM 448 CA LYS A 28 -4.041 16.495 3.774 1.00 0.00 C ATOM 449 C LYS A 28 -4.111 14.976 3.631 1.00 0.00 C ATOM 450 O LYS A 28 -3.521 14.399 2.718 1.00 0.00 O ATOM 451 CB LYS A 28 -5.457 17.069 3.892 1.00 0.00 C ATOM 452 CG LYS A 28 -5.598 18.122 4.979 1.00 0.00 C ATOM 453 CD LYS A 28 -6.464 19.285 4.519 1.00 0.00 C ATOM 454 CE LYS A 28 -6.359 20.467 5.469 1.00 0.00 C ATOM 455 NZ LYS A 28 -6.712 21.751 4.801 1.00 0.00 N ATOM 0 H LYS A 28 -3.022 16.434 1.939 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.478 16.730 4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.744 17.506 2.935 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.154 16.256 4.093 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.036 17.671 5.870 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.612 18.490 5.260 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.160 19.593 3.518 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.503 18.962 4.452 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.020 20.308 6.321 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.344 20.529 5.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.628 22.532 5.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.065 21.917 4.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.690 21.702 4.450 1.00 0.00 H new ATOM 469 N ILE A 29 -4.843 14.340 4.539 1.00 0.00 N ATOM 470 CA ILE A 29 -5.004 12.889 4.522 1.00 0.00 C ATOM 471 C ILE A 29 -6.479 12.516 4.617 1.00 0.00 C ATOM 472 O ILE A 29 -7.198 13.015 5.482 1.00 0.00 O ATOM 473 CB ILE A 29 -4.241 12.216 5.681 1.00 0.00 C ATOM 474 CG1 ILE A 29 -2.924 12.950 5.956 1.00 0.00 C ATOM 475 CG2 ILE A 29 -3.980 10.751 5.359 1.00 0.00 C ATOM 476 CD1 ILE A 29 -2.085 12.306 7.039 1.00 0.00 C ATOM 0 H ILE A 29 -5.336 14.808 5.299 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.590 12.532 3.579 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.856 12.270 6.580 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.343 12.993 5.035 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.144 13.979 6.242 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.441 10.287 6.185 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.929 10.236 5.211 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.383 10.679 4.450 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.169 12.880 7.179 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.648 12.288 7.972 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.834 11.286 6.747 1.00 0.00 H new ATOM 488 N TYR A 30 -6.929 11.645 3.719 1.00 0.00 N ATOM 489 CA TYR A 30 -8.326 11.222 3.708 1.00 0.00 C ATOM 490 C TYR A 30 -8.478 9.795 4.222 1.00 0.00 C ATOM 491 O TYR A 30 -7.638 8.934 3.961 1.00 0.00 O ATOM 492 CB TYR A 30 -8.900 11.330 2.295 1.00 0.00 C ATOM 493 CG TYR A 30 -8.751 12.705 1.684 1.00 0.00 C ATOM 494 CD1 TYR A 30 -9.044 13.848 2.418 1.00 0.00 C ATOM 495 CD2 TYR A 30 -8.315 12.861 0.374 1.00 0.00 C ATOM 496 CE1 TYR A 30 -8.908 15.106 1.865 1.00 0.00 C ATOM 497 CE2 TYR A 30 -8.175 14.117 -0.186 1.00 0.00 C ATOM 498 CZ TYR A 30 -8.473 15.236 0.563 1.00 0.00 C ATOM 499 OH TYR A 30 -8.337 16.488 0.007 1.00 0.00 O ATOM 0 H TYR A 30 -6.351 11.220 2.994 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.880 11.884 4.374 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.404 10.601 1.654 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.957 11.065 2.320 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -9.384 13.751 3.438 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.082 11.987 -0.216 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -9.141 15.984 2.449 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.834 14.222 -1.205 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.020 16.403 -0.916 1.00 0.00 H new ATOM 509 N TYR A 31 -9.560 9.555 4.957 1.00 0.00 N ATOM 510 CA TYR A 31 -9.835 8.235 5.510 1.00 0.00 C ATOM 511 C TYR A 31 -11.305 7.869 5.333 1.00 0.00 C ATOM 512 O TYR A 31 -12.193 8.583 5.799 1.00 0.00 O ATOM 513 CB TYR A 31 -9.464 8.194 6.995 1.00 0.00 C ATOM 514 CG TYR A 31 -9.713 6.852 7.646 1.00 0.00 C ATOM 515 CD1 TYR A 31 -9.244 5.680 7.068 1.00 0.00 C ATOM 516 CD2 TYR A 31 -10.419 6.759 8.839 1.00 0.00 C ATOM 517 CE1 TYR A 31 -9.471 4.452 7.658 1.00 0.00 C ATOM 518 CE2 TYR A 31 -10.650 5.534 9.437 1.00 0.00 C ATOM 519 CZ TYR A 31 -10.174 4.385 8.843 1.00 0.00 C ATOM 520 OH TYR A 31 -10.402 3.163 9.435 1.00 0.00 O ATOM 0 H TYR A 31 -10.262 10.260 5.183 1.00 0.00 H new ATOM 0 HA TYR A 31 -9.229 7.508 4.970 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.411 8.451 7.105 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.035 8.957 7.524 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.692 5.729 6.141 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.793 7.658 9.307 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -9.100 3.550 7.194 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.200 5.478 10.365 1.00 0.00 H new ATOM 0 HH TYR A 31 -10.102 2.448 8.836 1.00 0.00 H new ATOM 530 N SER A 32 -11.556 6.754 4.655 1.00 0.00 N ATOM 531 CA SER A 32 -12.920 6.297 4.417 1.00 0.00 C ATOM 532 C SER A 32 -12.929 4.901 3.802 1.00 0.00 C ATOM 533 O SER A 32 -11.879 4.292 3.604 1.00 0.00 O ATOM 534 CB SER A 32 -13.654 7.276 3.499 1.00 0.00 C ATOM 535 OG SER A 32 -12.895 7.550 2.333 1.00 0.00 O ATOM 0 H SER A 32 -10.834 6.151 4.261 1.00 0.00 H new ATOM 0 HA SER A 32 -13.434 6.253 5.377 1.00 0.00 H new ATOM 0 HB2 SER A 32 -14.621 6.860 3.217 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.850 8.204 4.035 1.00 0.00 H new ATOM 0 HG SER A 32 -13.387 8.177 1.762 1.00 0.00 H new ATOM 1396 N GLY A 91 -12.893 11.626 6.152 1.00 0.00 N ATOM 1397 CA GLY A 91 -12.091 12.160 7.238 1.00 0.00 C ATOM 1398 C GLY A 91 -10.804 12.795 6.749 1.00 0.00 C ATOM 1399 O GLY A 91 -9.875 12.096 6.345 1.00 0.00 O ATOM 0 HA2 GLY A 91 -12.673 12.901 7.785 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.854 11.359 7.939 1.00 0.00 H new ATOM 1403 N VAL A 92 -10.750 14.122 6.785 1.00 0.00 N ATOM 1404 CA VAL A 92 -9.568 14.852 6.343 1.00 0.00 C ATOM 1405 C VAL A 92 -8.630 15.137 7.512 1.00 0.00 C ATOM 1406 O VAL A 92 -9.075 15.336 8.643 1.00 0.00 O ATOM 1407 CB VAL A 92 -9.951 16.183 5.665 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -10.685 17.093 6.639 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -8.716 16.874 5.103 1.00 0.00 C ATOM 0 H VAL A 92 -11.512 14.714 7.116 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.056 14.219 5.618 1.00 0.00 H new ATOM 0 HB VAL A 92 -10.624 15.963 4.836 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -10.945 18.026 6.139 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -11.594 16.600 6.983 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.042 17.306 7.493 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -9.008 17.811 4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.014 17.079 5.911 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.241 16.227 4.366 1.00 0.00 H new ATOM 1419 N LEU A 93 -7.330 15.153 7.232 1.00 0.00 N ATOM 1420 CA LEU A 93 -6.331 15.412 8.263 1.00 0.00 C ATOM 1421 C LEU A 93 -5.186 16.256 7.713 1.00 0.00 C ATOM 1422 O LEU A 93 -4.657 15.978 6.635 1.00 0.00 O ATOM 1423 CB LEU A 93 -5.786 14.094 8.819 1.00 0.00 C ATOM 1424 CG LEU A 93 -6.832 13.190 9.480 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -6.957 11.874 8.727 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -6.478 12.938 10.938 1.00 0.00 C ATOM 0 H LEU A 93 -6.945 14.990 6.302 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.813 15.967 9.068 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.312 13.543 8.007 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.008 14.319 9.549 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.795 13.699 9.443 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.705 11.247 9.212 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.261 12.071 7.699 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.996 11.361 8.730 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.233 12.294 11.390 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.504 12.452 10.997 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.443 13.887 11.473 1.00 0.00 H new ATOM 1438 N ASP A 94 -4.806 17.286 8.461 1.00 0.00 N ATOM 1439 CA ASP A 94 -3.722 18.172 8.054 1.00 0.00 C ATOM 1440 C ASP A 94 -2.376 17.461 8.142 1.00 0.00 C ATOM 1441 O ASP A 94 -2.028 16.893 9.179 1.00 0.00 O ATOM 1442 CB ASP A 94 -3.709 19.429 8.928 1.00 0.00 C ATOM 1443 CG ASP A 94 -3.569 20.698 8.110 1.00 0.00 C ATOM 1444 OD1 ASP A 94 -3.109 20.612 6.952 1.00 0.00 O ATOM 1445 OD2 ASP A 94 -3.920 21.779 8.628 1.00 0.00 O ATOM 0 H ASP A 94 -5.234 17.528 9.355 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.891 18.461 7.017 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.630 19.474 9.509 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.886 19.365 9.640 1.00 0.00 H new ATOM 1450 N VAL A 95 -1.622 17.494 7.049 1.00 0.00 N ATOM 1451 CA VAL A 95 -0.313 16.852 7.002 1.00 0.00 C ATOM 1452 C VAL A 95 0.696 17.580 7.890 1.00 0.00 C ATOM 1453 O VAL A 95 1.434 16.946 8.645 1.00 0.00 O ATOM 1454 CB VAL A 95 0.238 16.787 5.563 1.00 0.00 C ATOM 1455 CG1 VAL A 95 1.396 15.805 5.481 1.00 0.00 C ATOM 1456 CG2 VAL A 95 -0.863 16.406 4.584 1.00 0.00 C ATOM 0 H VAL A 95 -1.895 17.959 6.183 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.452 15.837 7.374 1.00 0.00 H new ATOM 0 HB VAL A 95 0.607 17.775 5.290 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.773 15.771 4.459 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.193 16.126 6.151 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.053 14.813 5.774 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.454 16.366 3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.266 15.429 4.852 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.659 17.150 4.624 1.00 0.00 H new ATOM 1466 N PRO A 96 0.750 18.924 7.814 1.00 0.00 N ATOM 1467 CA PRO A 96 1.679 19.727 8.614 1.00 0.00 C ATOM 1468 C PRO A 96 1.261 19.812 10.081 1.00 0.00 C ATOM 1469 O PRO A 96 1.085 20.903 10.625 1.00 0.00 O ATOM 1470 CB PRO A 96 1.625 21.119 7.959 1.00 0.00 C ATOM 1471 CG PRO A 96 0.813 20.955 6.714 1.00 0.00 C ATOM 1472 CD PRO A 96 -0.078 19.772 6.949 1.00 0.00 C ATOM 0 HA PRO A 96 2.678 19.290 8.626 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.170 21.848 8.629 1.00 0.00 H new ATOM 0 HB3 PRO A 96 2.627 21.481 7.727 1.00 0.00 H new ATOM 0 HG2 PRO A 96 0.226 21.851 6.511 1.00 0.00 H new ATOM 0 HG3 PRO A 96 1.456 20.793 5.849 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -1.013 20.056 7.433 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -0.341 19.270 6.018 1.00 0.00 H new ATOM 1480 N ALA A 97 1.104 18.654 10.720 1.00 0.00 N ATOM 1481 CA ALA A 97 0.710 18.600 12.125 1.00 0.00 C ATOM 1482 C ALA A 97 0.488 17.160 12.576 1.00 0.00 C ATOM 1483 O ALA A 97 -0.435 16.874 13.339 1.00 0.00 O ATOM 1484 CB ALA A 97 -0.550 19.425 12.355 1.00 0.00 C ATOM 0 H ALA A 97 1.244 17.741 10.287 1.00 0.00 H new ATOM 0 HA ALA A 97 1.520 19.022 12.720 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.831 19.375 13.407 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.361 20.462 12.079 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.361 19.029 11.744 1.00 0.00 H new ATOM 1490 N CYS A 98 1.339 16.255 12.100 1.00 0.00 N ATOM 1491 CA CYS A 98 1.234 14.846 12.457 1.00 0.00 C ATOM 1492 C CYS A 98 2.609 14.186 12.478 1.00 0.00 C ATOM 1493 O CYS A 98 3.220 13.969 11.432 1.00 0.00 O ATOM 1494 CB CYS A 98 0.323 14.113 11.469 1.00 0.00 C ATOM 1495 SG CYS A 98 -1.280 14.910 11.209 1.00 0.00 S ATOM 0 H CYS A 98 2.108 16.474 11.467 1.00 0.00 H new ATOM 0 HA CYS A 98 0.803 14.783 13.456 1.00 0.00 H new ATOM 0 HB2 CYS A 98 0.836 14.032 10.511 1.00 0.00 H new ATOM 0 HB3 CYS A 98 0.157 13.098 11.829 1.00 0.00 H new ATOM 0 HG CYS A 98 -1.182 15.778 10.246 1.00 0.00 H new ATOM 1501 N GLN A 99 3.090 13.868 13.675 1.00 0.00 N ATOM 1502 CA GLN A 99 4.391 13.230 13.827 1.00 0.00 C ATOM 1503 C GLN A 99 4.253 11.710 13.827 1.00 0.00 C ATOM 1504 O GLN A 99 3.480 11.148 14.603 1.00 0.00 O ATOM 1505 CB GLN A 99 5.068 13.696 15.121 1.00 0.00 C ATOM 1506 CG GLN A 99 4.412 13.158 16.382 1.00 0.00 C ATOM 1507 CD GLN A 99 5.042 13.708 17.647 1.00 0.00 C ATOM 1508 OE1 GLN A 99 4.885 14.885 17.971 1.00 0.00 O ATOM 1509 NE2 GLN A 99 5.761 12.857 18.369 1.00 0.00 N ATOM 0 H GLN A 99 2.599 14.041 14.552 1.00 0.00 H new ATOM 0 HA GLN A 99 5.012 13.521 12.979 1.00 0.00 H new ATOM 0 HB2 GLN A 99 6.113 13.387 15.106 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.058 14.785 15.154 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.351 13.408 16.370 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.483 12.070 16.388 1.00 0.00 H new ATOM 0 HE21 GLN A 99 5.865 11.890 18.063 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.209 13.171 19.230 1.00 0.00 H new ATOM 1518 N ILE A 100 5.003 11.053 12.952 1.00 0.00 N ATOM 1519 CA ILE A 100 4.961 9.600 12.849 1.00 0.00 C ATOM 1520 C ILE A 100 5.986 8.954 13.775 1.00 0.00 C ATOM 1521 O ILE A 100 6.932 9.603 14.219 1.00 0.00 O ATOM 1522 CB ILE A 100 5.224 9.127 11.406 1.00 0.00 C ATOM 1523 CG1 ILE A 100 4.549 10.063 10.400 1.00 0.00 C ATOM 1524 CG2 ILE A 100 4.735 7.697 11.220 1.00 0.00 C ATOM 1525 CD1 ILE A 100 3.036 10.012 10.445 1.00 0.00 C ATOM 0 H ILE A 100 5.648 11.503 12.303 1.00 0.00 H new ATOM 0 HA ILE A 100 3.958 9.293 13.146 1.00 0.00 H new ATOM 0 HB ILE A 100 6.299 9.151 11.225 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.876 11.085 10.592 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.883 9.805 9.395 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.928 7.377 10.196 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.262 7.039 11.911 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.664 7.650 11.420 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.627 10.700 9.706 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.699 8.999 10.223 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.692 10.300 11.438 1.00 0.00 H new ATOM 1537 N ALA A 101 5.791 7.671 14.058 1.00 0.00 N ATOM 1538 CA ALA A 101 6.698 6.934 14.929 1.00 0.00 C ATOM 1539 C ALA A 101 6.696 5.449 14.583 1.00 0.00 C ATOM 1540 O ALA A 101 5.922 4.673 15.143 1.00 0.00 O ATOM 1541 CB ALA A 101 6.314 7.141 16.386 1.00 0.00 C ATOM 0 H ALA A 101 5.013 7.120 13.697 1.00 0.00 H new ATOM 0 HA ALA A 101 7.707 7.317 14.775 1.00 0.00 H new ATOM 0 HB1 ALA A 101 7.000 6.585 17.025 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.370 8.202 16.630 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.297 6.785 16.548 1.00 0.00 H new ATOM 1547 N ILE A 102 7.566 5.061 13.655 1.00 0.00 N ATOM 1548 CA ILE A 102 7.661 3.669 13.235 1.00 0.00 C ATOM 1549 C ILE A 102 7.949 2.752 14.419 1.00 0.00 C ATOM 1550 O ILE A 102 8.557 3.164 15.406 1.00 0.00 O ATOM 1551 CB ILE A 102 8.758 3.471 12.169 1.00 0.00 C ATOM 1552 CG1 ILE A 102 8.477 4.348 10.948 1.00 0.00 C ATOM 1553 CG2 ILE A 102 8.855 2.004 11.764 1.00 0.00 C ATOM 1554 CD1 ILE A 102 9.579 4.315 9.912 1.00 0.00 C ATOM 0 H ILE A 102 8.214 5.691 13.181 1.00 0.00 H new ATOM 0 HA ILE A 102 6.695 3.408 12.803 1.00 0.00 H new ATOM 0 HB ILE A 102 9.714 3.770 12.598 1.00 0.00 H new ATOM 0 HG12 ILE A 102 7.545 4.024 10.485 1.00 0.00 H new ATOM 0 HG13 ILE A 102 8.329 5.377 11.276 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.634 1.885 11.011 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.100 1.401 12.638 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.900 1.676 11.353 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.311 4.960 9.075 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.509 4.668 10.358 1.00 0.00 H new ATOM 0 HD13 ILE A 102 9.712 3.294 9.555 1.00 0.00 H new ATOM 1566 N ARG A 103 7.513 1.504 14.302 1.00 0.00 N ATOM 1567 CA ARG A 103 7.724 0.517 15.349 1.00 0.00 C ATOM 1568 C ARG A 103 7.986 -0.857 14.735 1.00 0.00 C ATOM 1569 O ARG A 103 7.131 -1.402 14.037 1.00 0.00 O ATOM 1570 CB ARG A 103 6.506 0.450 16.273 1.00 0.00 C ATOM 1571 CG ARG A 103 6.165 1.778 16.927 1.00 0.00 C ATOM 1572 CD ARG A 103 4.840 1.711 17.668 1.00 0.00 C ATOM 1573 NE ARG A 103 4.871 2.465 18.919 1.00 0.00 N ATOM 1574 CZ ARG A 103 4.001 2.292 19.911 1.00 0.00 C ATOM 1575 NH1 ARG A 103 3.030 1.393 19.803 1.00 0.00 N ATOM 1576 NH2 ARG A 103 4.100 3.020 21.015 1.00 0.00 N ATOM 0 H ARG A 103 7.009 1.152 13.488 1.00 0.00 H new ATOM 0 HA ARG A 103 8.594 0.816 15.934 1.00 0.00 H new ATOM 0 HB2 ARG A 103 5.645 0.105 15.701 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.690 -0.292 17.050 1.00 0.00 H new ATOM 0 HG2 ARG A 103 6.958 2.057 17.621 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.119 2.558 16.167 1.00 0.00 H new ATOM 0 HD2 ARG A 103 4.048 2.102 17.029 1.00 0.00 H new ATOM 0 HD3 ARG A 103 4.595 0.670 17.879 1.00 0.00 H new ATOM 0 HE ARG A 103 5.603 3.165 19.039 1.00 0.00 H new ATOM 0 HH11 ARG A 103 2.948 0.830 18.956 1.00 0.00 H new ATOM 0 HH12 ARG A 103 2.366 1.265 20.567 1.00 0.00 H new ATOM 0 HH21 ARG A 103 4.843 3.713 21.104 1.00 0.00 H new ATOM 0 HH22 ARG A 103 3.433 2.887 21.775 1.00 0.00 H new ATOM 1590 N PRO A 104 9.175 -1.439 14.979 1.00 0.00 N ATOM 1591 CA PRO A 104 9.532 -2.750 14.434 1.00 0.00 C ATOM 1592 C PRO A 104 8.947 -3.907 15.245 1.00 0.00 C ATOM 1593 O PRO A 104 9.590 -4.941 15.418 1.00 0.00 O ATOM 1594 CB PRO A 104 11.055 -2.750 14.529 1.00 0.00 C ATOM 1595 CG PRO A 104 11.354 -1.908 15.723 1.00 0.00 C ATOM 1596 CD PRO A 104 10.266 -0.866 15.792 1.00 0.00 C ATOM 0 HA PRO A 104 9.144 -2.895 13.426 1.00 0.00 H new ATOM 0 HB2 PRO A 104 11.445 -3.761 14.648 1.00 0.00 H new ATOM 0 HB3 PRO A 104 11.509 -2.337 13.628 1.00 0.00 H new ATOM 0 HG2 PRO A 104 11.371 -2.512 16.630 1.00 0.00 H new ATOM 0 HG3 PRO A 104 12.334 -1.440 15.633 1.00 0.00 H new ATOM 0 HD2 PRO A 104 9.948 -0.688 16.819 1.00 0.00 H new ATOM 0 HD3 PRO A 104 10.603 0.090 15.392 1.00 0.00 H new ATOM 1604 N GLU A 105 7.723 -3.724 15.737 1.00 0.00 N ATOM 1605 CA GLU A 105 7.050 -4.750 16.528 1.00 0.00 C ATOM 1606 C GLU A 105 5.651 -4.287 16.926 1.00 0.00 C ATOM 1607 O GLU A 105 5.354 -4.114 18.108 1.00 0.00 O ATOM 1608 CB GLU A 105 7.868 -5.079 17.780 1.00 0.00 C ATOM 1609 CG GLU A 105 7.492 -6.405 18.421 1.00 0.00 C ATOM 1610 CD GLU A 105 8.264 -6.673 19.698 1.00 0.00 C ATOM 1611 OE1 GLU A 105 8.147 -5.866 20.644 1.00 0.00 O ATOM 1612 OE2 GLU A 105 8.987 -7.692 19.751 1.00 0.00 O ATOM 0 H GLU A 105 7.177 -2.873 15.601 1.00 0.00 H new ATOM 0 HA GLU A 105 6.961 -5.649 15.918 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.926 -5.099 17.518 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.735 -4.281 18.511 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.424 -6.410 18.638 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.677 -7.213 17.713 1.00 0.00 H new ATOM 1619 N GLY A 106 4.796 -4.080 15.928 1.00 0.00 N ATOM 1620 CA GLY A 106 3.440 -3.633 16.190 1.00 0.00 C ATOM 1621 C GLY A 106 2.690 -4.557 17.126 1.00 0.00 C ATOM 1622 O GLY A 106 2.808 -4.446 18.346 1.00 0.00 O ATOM 0 H GLY A 106 5.019 -4.214 14.942 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.469 -2.632 16.620 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.898 -3.559 15.247 1.00 0.00 H new ATOM 1626 N LYS A 107 1.913 -5.472 16.554 1.00 0.00 N ATOM 1627 CA LYS A 107 1.136 -6.419 17.347 1.00 0.00 C ATOM 1628 C LYS A 107 0.306 -7.335 16.452 1.00 0.00 C ATOM 1629 O LYS A 107 0.129 -7.065 15.264 1.00 0.00 O ATOM 1630 CB LYS A 107 0.216 -5.677 18.323 1.00 0.00 C ATOM 1631 CG LYS A 107 -0.370 -4.393 17.756 1.00 0.00 C ATOM 1632 CD LYS A 107 -1.798 -4.177 18.229 1.00 0.00 C ATOM 1633 CE LYS A 107 -1.855 -3.908 19.725 1.00 0.00 C ATOM 1634 NZ LYS A 107 -2.051 -5.159 20.508 1.00 0.00 N ATOM 0 H LYS A 107 1.805 -5.578 15.545 1.00 0.00 H new ATOM 0 HA LYS A 107 1.838 -7.031 17.913 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -0.599 -6.340 18.615 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.776 -5.442 19.228 1.00 0.00 H new ATOM 0 HG2 LYS A 107 0.246 -3.546 18.058 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.348 -4.431 16.667 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.238 -3.338 17.690 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.397 -5.056 17.993 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.932 -3.423 20.042 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.669 -3.215 19.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.481 -4.930 21.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.678 -5.802 19.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -1.132 -5.620 20.661 1.00 0.00 H new ATOM 1648 N ASN A 108 -0.201 -8.419 17.031 1.00 0.00 N ATOM 1649 CA ASN A 108 -1.013 -9.379 16.292 1.00 0.00 C ATOM 1650 C ASN A 108 -0.262 -9.910 15.073 1.00 0.00 C ATOM 1651 O ASN A 108 -0.805 -9.968 13.972 1.00 0.00 O ATOM 1652 CB ASN A 108 -2.333 -8.736 15.856 1.00 0.00 C ATOM 1653 CG ASN A 108 -3.003 -7.969 16.979 1.00 0.00 C ATOM 1654 OD1 ASN A 108 -3.125 -8.466 18.099 1.00 0.00 O ATOM 1655 ND2 ASN A 108 -3.442 -6.750 16.686 1.00 0.00 N ATOM 0 H ASN A 108 -0.063 -8.655 18.014 1.00 0.00 H new ATOM 0 HA ASN A 108 -1.228 -10.218 16.954 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -2.146 -8.062 15.020 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -3.009 -9.511 15.495 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -3.901 -6.187 17.402 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -3.320 -6.377 15.745 1.00 0.00 H new ATOM 1662 N ASN A 109 0.991 -10.299 15.285 1.00 0.00 N ATOM 1663 CA ASN A 109 1.821 -10.828 14.209 1.00 0.00 C ATOM 1664 C ASN A 109 2.056 -9.776 13.129 1.00 0.00 C ATOM 1665 O ASN A 109 1.723 -9.983 11.962 1.00 0.00 O ATOM 1666 CB ASN A 109 1.174 -12.073 13.600 1.00 0.00 C ATOM 1667 CG ASN A 109 1.625 -13.352 14.278 1.00 0.00 C ATOM 1668 OD1 ASN A 109 2.521 -13.336 15.123 1.00 0.00 O ATOM 1669 ND2 ASN A 109 1.008 -14.468 13.909 1.00 0.00 N ATOM 0 H ASN A 109 1.454 -10.258 16.193 1.00 0.00 H new ATOM 0 HA ASN A 109 2.787 -11.103 14.633 1.00 0.00 H new ATOM 0 HB2 ASN A 109 0.090 -11.989 13.675 1.00 0.00 H new ATOM 0 HB3 ASN A 109 1.417 -12.123 12.539 1.00 0.00 H new ATOM 0 HD21 ASN A 109 1.271 -15.359 14.330 1.00 0.00 H new ATOM 0 HD22 ASN A 109 0.271 -14.434 13.205 1.00 0.00 H new ATOM 1676 N ARG A 110 2.633 -8.647 13.527 1.00 0.00 N ATOM 1677 CA ARG A 110 2.914 -7.560 12.595 1.00 0.00 C ATOM 1678 C ARG A 110 4.109 -6.739 13.066 1.00 0.00 C ATOM 1679 O ARG A 110 3.953 -5.752 13.785 1.00 0.00 O ATOM 1680 CB ARG A 110 1.689 -6.658 12.439 1.00 0.00 C ATOM 1681 CG ARG A 110 0.568 -7.287 11.626 1.00 0.00 C ATOM 1682 CD ARG A 110 0.975 -7.494 10.176 1.00 0.00 C ATOM 1683 NE ARG A 110 0.477 -8.759 9.643 1.00 0.00 N ATOM 1684 CZ ARG A 110 -0.782 -8.957 9.260 1.00 0.00 C ATOM 1685 NH1 ARG A 110 -1.671 -7.975 9.345 1.00 0.00 N ATOM 1686 NH2 ARG A 110 -1.153 -10.140 8.790 1.00 0.00 N ATOM 0 H ARG A 110 2.915 -8.460 14.489 1.00 0.00 H new ATOM 0 HA ARG A 110 3.154 -7.999 11.627 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.309 -6.401 13.428 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.993 -5.726 11.963 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.291 -8.245 12.067 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.315 -6.649 11.669 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.594 -6.671 9.572 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.062 -7.470 10.098 1.00 0.00 H new ATOM 0 HE ARG A 110 1.132 -9.536 9.559 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.391 -7.063 9.705 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.635 -8.132 9.050 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -0.474 -10.898 8.722 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -2.118 -10.292 8.496 1.00 0.00 H new ATOM 1700 N LEU A 111 5.303 -7.153 12.656 1.00 0.00 N ATOM 1701 CA LEU A 111 6.526 -6.457 13.038 1.00 0.00 C ATOM 1702 C LEU A 111 6.593 -5.076 12.395 1.00 0.00 C ATOM 1703 O LEU A 111 7.133 -4.134 12.976 1.00 0.00 O ATOM 1704 CB LEU A 111 7.751 -7.279 12.633 1.00 0.00 C ATOM 1705 CG LEU A 111 7.872 -8.640 13.321 1.00 0.00 C ATOM 1706 CD1 LEU A 111 8.926 -9.494 12.632 1.00 0.00 C ATOM 1707 CD2 LEU A 111 8.204 -8.465 14.794 1.00 0.00 C ATOM 0 H LEU A 111 5.450 -7.967 12.059 1.00 0.00 H new ATOM 0 HA LEU A 111 6.519 -6.333 14.121 1.00 0.00 H new ATOM 0 HB2 LEU A 111 7.725 -7.435 11.555 1.00 0.00 H new ATOM 0 HB3 LEU A 111 8.648 -6.698 12.850 1.00 0.00 H new ATOM 0 HG LEU A 111 6.912 -9.151 13.244 1.00 0.00 H new ATOM 0 HD11 LEU A 111 8.998 -10.458 13.135 1.00 0.00 H new ATOM 0 HD12 LEU A 111 8.645 -9.648 11.590 1.00 0.00 H new ATOM 0 HD13 LEU A 111 9.890 -8.988 12.677 1.00 0.00 H new ATOM 0 HD21 LEU A 111 8.286 -9.443 15.267 1.00 0.00 H new ATOM 0 HD22 LEU A 111 9.150 -7.933 14.893 1.00 0.00 H new ATOM 0 HD23 LEU A 111 7.414 -7.892 15.280 1.00 0.00 H new ATOM 1719 N PHE A 112 6.042 -4.962 11.190 1.00 0.00 N ATOM 1720 CA PHE A 112 6.042 -3.694 10.469 1.00 0.00 C ATOM 1721 C PHE A 112 4.778 -2.895 10.770 1.00 0.00 C ATOM 1722 O PHE A 112 3.732 -3.117 10.159 1.00 0.00 O ATOM 1723 CB PHE A 112 6.159 -3.939 8.963 1.00 0.00 C ATOM 1724 CG PHE A 112 7.344 -4.780 8.583 1.00 0.00 C ATOM 1725 CD1 PHE A 112 8.586 -4.549 9.150 1.00 0.00 C ATOM 1726 CD2 PHE A 112 7.215 -5.803 7.657 1.00 0.00 C ATOM 1727 CE1 PHE A 112 9.678 -5.320 8.802 1.00 0.00 C ATOM 1728 CE2 PHE A 112 8.304 -6.579 7.305 1.00 0.00 C ATOM 1729 CZ PHE A 112 9.536 -6.337 7.878 1.00 0.00 C ATOM 0 H PHE A 112 5.591 -5.730 10.694 1.00 0.00 H new ATOM 0 HA PHE A 112 6.903 -3.115 10.804 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.250 -4.426 8.610 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.226 -2.979 8.451 1.00 0.00 H new ATOM 0 HD1 PHE A 112 8.702 -3.756 9.874 1.00 0.00 H new ATOM 0 HD2 PHE A 112 6.253 -5.996 7.205 1.00 0.00 H new ATOM 0 HE1 PHE A 112 10.641 -5.128 9.251 1.00 0.00 H new ATOM 0 HE2 PHE A 112 8.191 -7.374 6.582 1.00 0.00 H new ATOM 0 HZ PHE A 112 10.388 -6.942 7.604 1.00 0.00 H new ATOM 1739 N VAL A 113 4.885 -1.966 11.713 1.00 0.00 N ATOM 1740 CA VAL A 113 3.751 -1.133 12.094 1.00 0.00 C ATOM 1741 C VAL A 113 4.219 0.214 12.637 1.00 0.00 C ATOM 1742 O VAL A 113 5.047 0.274 13.544 1.00 0.00 O ATOM 1743 CB VAL A 113 2.876 -1.824 13.157 1.00 0.00 C ATOM 1744 CG1 VAL A 113 1.603 -1.027 13.403 1.00 0.00 C ATOM 1745 CG2 VAL A 113 2.550 -3.248 12.736 1.00 0.00 C ATOM 0 H VAL A 113 5.744 -1.771 12.227 1.00 0.00 H new ATOM 0 HA VAL A 113 3.158 -0.975 11.193 1.00 0.00 H new ATOM 0 HB VAL A 113 3.436 -1.865 14.091 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.998 -1.531 14.157 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.861 -0.028 13.754 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.037 -0.951 12.475 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.931 -3.720 13.499 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.010 -3.233 11.789 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.475 -3.813 12.618 1.00 0.00 H new ATOM 1755 N PHE A 114 3.679 1.291 12.076 1.00 0.00 N ATOM 1756 CA PHE A 114 4.041 2.636 12.505 1.00 0.00 C ATOM 1757 C PHE A 114 2.848 3.341 13.138 1.00 0.00 C ATOM 1758 O PHE A 114 1.722 3.238 12.650 1.00 0.00 O ATOM 1759 CB PHE A 114 4.562 3.451 11.320 1.00 0.00 C ATOM 1760 CG PHE A 114 3.582 3.553 10.186 1.00 0.00 C ATOM 1761 CD1 PHE A 114 3.500 2.550 9.233 1.00 0.00 C ATOM 1762 CD2 PHE A 114 2.745 4.651 10.071 1.00 0.00 C ATOM 1763 CE1 PHE A 114 2.600 2.641 8.187 1.00 0.00 C ATOM 1764 CE2 PHE A 114 1.844 4.748 9.028 1.00 0.00 C ATOM 1765 CZ PHE A 114 1.772 3.741 8.085 1.00 0.00 C ATOM 0 H PHE A 114 2.990 1.258 11.324 1.00 0.00 H new ATOM 0 HA PHE A 114 4.831 2.553 13.252 1.00 0.00 H new ATOM 0 HB2 PHE A 114 4.815 4.454 11.662 1.00 0.00 H new ATOM 0 HB3 PHE A 114 5.483 2.997 10.954 1.00 0.00 H new ATOM 0 HD1 PHE A 114 4.146 1.688 9.308 1.00 0.00 H new ATOM 0 HD2 PHE A 114 2.797 5.441 10.806 1.00 0.00 H new ATOM 0 HE1 PHE A 114 2.545 1.853 7.451 1.00 0.00 H new ATOM 0 HE2 PHE A 114 1.197 5.609 8.950 1.00 0.00 H new ATOM 0 HZ PHE A 114 1.069 3.814 7.269 1.00 0.00 H new ATOM 1775 N SER A 115 3.099 4.056 14.229 1.00 0.00 N ATOM 1776 CA SER A 115 2.044 4.776 14.929 1.00 0.00 C ATOM 1777 C SER A 115 2.169 6.281 14.711 1.00 0.00 C ATOM 1778 O SER A 115 3.235 6.861 14.916 1.00 0.00 O ATOM 1779 CB SER A 115 2.090 4.462 16.425 1.00 0.00 C ATOM 1780 OG SER A 115 2.041 3.064 16.657 1.00 0.00 O ATOM 0 H SER A 115 4.024 4.152 14.647 1.00 0.00 H new ATOM 0 HA SER A 115 1.087 4.448 14.523 1.00 0.00 H new ATOM 0 HB2 SER A 115 3.002 4.873 16.858 1.00 0.00 H new ATOM 0 HB3 SER A 115 1.252 4.946 16.927 1.00 0.00 H new ATOM 0 HG SER A 115 1.111 2.757 16.612 1.00 0.00 H new ATOM 1786 N ILE A 116 1.073 6.905 14.293 1.00 0.00 N ATOM 1787 CA ILE A 116 1.056 8.341 14.049 1.00 0.00 C ATOM 1788 C ILE A 116 0.451 9.087 15.232 1.00 0.00 C ATOM 1789 O ILE A 116 -0.271 8.503 16.041 1.00 0.00 O ATOM 1790 CB ILE A 116 0.256 8.688 12.777 1.00 0.00 C ATOM 1791 CG1 ILE A 116 0.643 7.752 11.630 1.00 0.00 C ATOM 1792 CG2 ILE A 116 0.488 10.140 12.385 1.00 0.00 C ATOM 1793 CD1 ILE A 116 -0.209 7.931 10.392 1.00 0.00 C ATOM 0 H ILE A 116 0.184 6.437 14.116 1.00 0.00 H new ATOM 0 HA ILE A 116 2.092 8.652 13.913 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.805 8.553 12.986 1.00 0.00 H new ATOM 0 HG12 ILE A 116 1.688 7.921 11.370 1.00 0.00 H new ATOM 0 HG13 ILE A 116 0.563 6.720 11.971 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -0.083 10.370 11.486 1.00 0.00 H new ATOM 0 HG22 ILE A 116 0.165 10.792 13.197 1.00 0.00 H new ATOM 0 HG23 ILE A 116 1.549 10.300 12.192 1.00 0.00 H new ATOM 0 HD11 ILE A 116 0.121 7.236 9.620 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -1.253 7.733 10.637 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -0.110 8.953 10.027 1.00 0.00 H new ATOM 1805 N SER A 117 0.748 10.380 15.332 1.00 0.00 N ATOM 1806 CA SER A 117 0.229 11.198 16.422 1.00 0.00 C ATOM 1807 C SER A 117 0.114 12.659 16.000 1.00 0.00 C ATOM 1808 O SER A 117 0.770 13.097 15.054 1.00 0.00 O ATOM 1809 CB SER A 117 1.130 11.079 17.652 1.00 0.00 C ATOM 1810 OG SER A 117 2.446 11.522 17.365 1.00 0.00 O ATOM 0 H SER A 117 1.344 10.882 14.673 1.00 0.00 H new ATOM 0 HA SER A 117 -0.767 10.833 16.674 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.715 11.668 18.469 1.00 0.00 H new ATOM 0 HB3 SER A 117 1.157 10.042 17.988 1.00 0.00 H new ATOM 0 HG SER A 117 2.697 11.238 16.461 1.00 0.00 H new ATOM 1816 N MET A 118 -0.725 13.409 16.709 1.00 0.00 N ATOM 1817 CA MET A 118 -0.929 14.822 16.409 1.00 0.00 C ATOM 1818 C MET A 118 -0.809 15.669 17.675 1.00 0.00 C ATOM 1819 O MET A 118 -1.783 15.845 18.407 1.00 0.00 O ATOM 1820 CB MET A 118 -2.302 15.034 15.771 1.00 0.00 C ATOM 1821 CG MET A 118 -2.570 14.121 14.586 1.00 0.00 C ATOM 1822 SD MET A 118 -4.316 14.067 14.131 1.00 0.00 S ATOM 1823 CE MET A 118 -4.443 15.525 13.098 1.00 0.00 C ATOM 0 H MET A 118 -1.274 13.061 17.495 1.00 0.00 H new ATOM 0 HA MET A 118 -0.156 15.135 15.707 1.00 0.00 H new ATOM 0 HB2 MET A 118 -3.072 14.872 16.525 1.00 0.00 H new ATOM 0 HB3 MET A 118 -2.386 16.071 15.446 1.00 0.00 H new ATOM 0 HG2 MET A 118 -1.986 14.461 13.731 1.00 0.00 H new ATOM 0 HG3 MET A 118 -2.229 13.113 14.824 1.00 0.00 H new ATOM 0 HE1 MET A 118 -5.484 15.844 13.045 1.00 0.00 H new ATOM 0 HE2 MET A 118 -3.839 16.326 13.524 1.00 0.00 H new ATOM 0 HE3 MET A 118 -4.083 15.293 12.096 1.00 0.00 H new ATOM 1833 N PRO A 119 0.392 16.209 17.951 1.00 0.00 N ATOM 1834 CA PRO A 119 0.628 17.041 19.136 1.00 0.00 C ATOM 1835 C PRO A 119 -0.059 18.399 19.036 1.00 0.00 C ATOM 1836 O PRO A 119 0.599 19.441 19.042 1.00 0.00 O ATOM 1837 CB PRO A 119 2.149 17.207 19.156 1.00 0.00 C ATOM 1838 CG PRO A 119 2.563 17.049 17.734 1.00 0.00 C ATOM 1839 CD PRO A 119 1.609 16.053 17.133 1.00 0.00 C ATOM 0 HA PRO A 119 0.225 16.587 20.041 1.00 0.00 H new ATOM 0 HB2 PRO A 119 2.436 18.183 19.546 1.00 0.00 H new ATOM 0 HB3 PRO A 119 2.621 16.458 19.792 1.00 0.00 H new ATOM 0 HG2 PRO A 119 2.517 18.001 17.206 1.00 0.00 H new ATOM 0 HG3 PRO A 119 3.592 16.695 17.664 1.00 0.00 H new ATOM 0 HD2 PRO A 119 1.416 16.265 16.081 1.00 0.00 H new ATOM 0 HD3 PRO A 119 2.002 15.038 17.186 1.00 0.00 H new ATOM 1847 N SER A 120 -1.385 18.382 18.945 1.00 0.00 N ATOM 1848 CA SER A 120 -2.161 19.612 18.843 1.00 0.00 C ATOM 1849 C SER A 120 -3.638 19.350 19.117 1.00 0.00 C ATOM 1850 O SER A 120 -4.288 20.097 19.847 1.00 0.00 O ATOM 1851 CB SER A 120 -1.993 20.235 17.455 1.00 0.00 C ATOM 1852 OG SER A 120 -0.645 20.162 17.022 1.00 0.00 O ATOM 0 H SER A 120 -1.945 17.529 18.940 1.00 0.00 H new ATOM 0 HA SER A 120 -1.788 20.308 19.594 1.00 0.00 H new ATOM 0 HB2 SER A 120 -2.636 19.719 16.741 1.00 0.00 H new ATOM 0 HB3 SER A 120 -2.314 21.276 17.479 1.00 0.00 H new ATOM 0 HG SER A 120 -0.048 20.343 17.778 1.00 0.00 H new ATOM 1858 N VAL A 121 -4.162 18.282 18.524 1.00 0.00 N ATOM 1859 CA VAL A 121 -5.564 17.920 18.703 1.00 0.00 C ATOM 1860 C VAL A 121 -5.794 17.293 20.074 1.00 0.00 C ATOM 1861 O VAL A 121 -6.725 17.660 20.792 1.00 0.00 O ATOM 1862 CB VAL A 121 -6.039 16.951 17.594 1.00 0.00 C ATOM 1863 CG1 VAL A 121 -5.649 15.507 17.890 1.00 0.00 C ATOM 1864 CG2 VAL A 121 -7.541 17.072 17.389 1.00 0.00 C ATOM 0 H VAL A 121 -3.638 17.653 17.916 1.00 0.00 H new ATOM 0 HA VAL A 121 -6.149 18.837 18.634 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.534 17.238 16.672 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -6.003 14.862 17.085 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -4.564 15.431 17.965 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.101 15.194 18.831 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -7.858 16.384 16.606 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -8.056 16.827 18.318 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -7.787 18.093 17.096 1.00 0.00 H new ATOM 1874 N ALA A 122 -4.936 16.343 20.423 1.00 0.00 N ATOM 1875 CA ALA A 122 -5.030 15.649 21.704 1.00 0.00 C ATOM 1876 C ALA A 122 -4.004 14.523 21.785 1.00 0.00 C ATOM 1877 O ALA A 122 -3.052 14.482 21.006 1.00 0.00 O ATOM 1878 CB ALA A 122 -6.439 15.105 21.911 1.00 0.00 C ATOM 0 H ALA A 122 -4.163 16.033 19.834 1.00 0.00 H new ATOM 0 HA ALA A 122 -4.814 16.364 22.498 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -6.493 14.590 22.870 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -7.152 15.929 21.901 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -6.680 14.406 21.110 1.00 0.00 H new ATOM 1884 N GLN A 123 -4.203 13.608 22.730 1.00 0.00 N ATOM 1885 CA GLN A 123 -3.292 12.483 22.905 1.00 0.00 C ATOM 1886 C GLN A 123 -3.782 11.264 22.127 1.00 0.00 C ATOM 1887 O GLN A 123 -3.783 10.144 22.641 1.00 0.00 O ATOM 1888 CB GLN A 123 -3.155 12.138 24.390 1.00 0.00 C ATOM 1889 CG GLN A 123 -2.447 13.211 25.199 1.00 0.00 C ATOM 1890 CD GLN A 123 -0.963 12.943 25.355 1.00 0.00 C ATOM 1891 OE1 GLN A 123 -0.552 11.825 25.667 1.00 0.00 O ATOM 1892 NE2 GLN A 123 -0.150 13.968 25.135 1.00 0.00 N ATOM 0 H GLN A 123 -4.985 13.624 23.384 1.00 0.00 H new ATOM 0 HA GLN A 123 -2.315 12.771 22.516 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -4.147 11.974 24.810 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -2.608 11.200 24.488 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -2.589 14.177 24.715 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -2.906 13.278 26.186 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -0.534 14.877 24.878 1.00 0.00 H new ATOM 0 HE22 GLN A 123 0.859 13.847 25.222 1.00 0.00 H new ATOM 1901 N TRP A 124 -4.197 11.489 20.884 1.00 0.00 N ATOM 1902 CA TRP A 124 -4.689 10.411 20.034 1.00 0.00 C ATOM 1903 C TRP A 124 -3.598 9.924 19.087 1.00 0.00 C ATOM 1904 O TRP A 124 -2.951 10.722 18.408 1.00 0.00 O ATOM 1905 CB TRP A 124 -5.905 10.879 19.232 1.00 0.00 C ATOM 1906 CG TRP A 124 -6.936 11.573 20.068 1.00 0.00 C ATOM 1907 CD1 TRP A 124 -7.538 12.769 19.800 1.00 0.00 C ATOM 1908 CD2 TRP A 124 -7.487 11.115 21.308 1.00 0.00 C ATOM 1909 NE1 TRP A 124 -8.429 13.082 20.798 1.00 0.00 N ATOM 1910 CE2 TRP A 124 -8.416 12.083 21.736 1.00 0.00 C ATOM 1911 CE3 TRP A 124 -7.284 9.980 22.100 1.00 0.00 C ATOM 1912 CZ2 TRP A 124 -9.140 11.948 22.918 1.00 0.00 C ATOM 1913 CZ3 TRP A 124 -8.004 9.847 23.272 1.00 0.00 C ATOM 1914 CH2 TRP A 124 -8.922 10.829 23.671 1.00 0.00 C ATOM 0 H TRP A 124 -4.202 12.409 20.443 1.00 0.00 H new ATOM 0 HA TRP A 124 -4.984 9.582 20.677 1.00 0.00 H new ATOM 0 HB2 TRP A 124 -5.573 11.554 18.443 1.00 0.00 H new ATOM 0 HB3 TRP A 124 -6.363 10.018 18.744 1.00 0.00 H new ATOM 0 HD1 TRP A 124 -7.342 13.380 18.931 1.00 0.00 H new ATOM 0 HE1 TRP A 124 -9.007 13.922 20.835 1.00 0.00 H new ATOM 0 HE3 TRP A 124 -6.577 9.221 21.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 -9.849 12.701 23.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 -7.857 8.973 23.890 1.00 0.00 H new ATOM 0 HH2 TRP A 124 -9.468 10.698 24.593 1.00 0.00 H new ATOM 1925 N SER A 125 -3.400 8.612 19.046 1.00 0.00 N ATOM 1926 CA SER A 125 -2.387 8.018 18.181 1.00 0.00 C ATOM 1927 C SER A 125 -3.018 7.042 17.193 1.00 0.00 C ATOM 1928 O SER A 125 -3.848 6.215 17.567 1.00 0.00 O ATOM 1929 CB SER A 125 -1.327 7.299 19.020 1.00 0.00 C ATOM 1930 OG SER A 125 -0.183 6.994 18.242 1.00 0.00 O ATOM 0 H SER A 125 -3.927 7.939 19.602 1.00 0.00 H new ATOM 0 HA SER A 125 -1.912 8.821 17.617 1.00 0.00 H new ATOM 0 HB2 SER A 125 -1.040 7.926 19.864 1.00 0.00 H new ATOM 0 HB3 SER A 125 -1.746 6.381 19.432 1.00 0.00 H new ATOM 0 HG SER A 125 -0.104 7.640 17.509 1.00 0.00 H new ATOM 1936 N LEU A 126 -2.619 7.148 15.930 1.00 0.00 N ATOM 1937 CA LEU A 126 -3.145 6.276 14.887 1.00 0.00 C ATOM 1938 C LEU A 126 -2.184 5.125 14.603 1.00 0.00 C ATOM 1939 O LEU A 126 -0.976 5.250 14.801 1.00 0.00 O ATOM 1940 CB LEU A 126 -3.398 7.073 13.605 1.00 0.00 C ATOM 1941 CG LEU A 126 -4.146 6.315 12.508 1.00 0.00 C ATOM 1942 CD1 LEU A 126 -5.644 6.338 12.770 1.00 0.00 C ATOM 1943 CD2 LEU A 126 -3.832 6.910 11.144 1.00 0.00 C ATOM 0 H LEU A 126 -1.933 7.829 15.604 1.00 0.00 H new ATOM 0 HA LEU A 126 -4.088 5.859 15.239 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -3.966 7.968 13.858 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -2.439 7.405 13.207 1.00 0.00 H new ATOM 0 HG LEU A 126 -3.813 5.277 12.516 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.160 5.794 11.979 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.853 5.867 13.731 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.994 7.370 12.788 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.372 6.359 10.374 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -4.138 7.956 11.124 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -2.761 6.842 10.955 1.00 0.00 H new ATOM 1955 N ASP A 127 -2.730 4.007 14.138 1.00 0.00 N ATOM 1956 CA ASP A 127 -1.920 2.834 13.825 1.00 0.00 C ATOM 1957 C ASP A 127 -2.168 2.372 12.394 1.00 0.00 C ATOM 1958 O ASP A 127 -3.311 2.169 11.985 1.00 0.00 O ATOM 1959 CB ASP A 127 -2.232 1.699 14.802 1.00 0.00 C ATOM 1960 CG ASP A 127 -1.328 1.720 16.020 1.00 0.00 C ATOM 1961 OD1 ASP A 127 -0.860 2.815 16.392 1.00 0.00 O ATOM 1962 OD2 ASP A 127 -1.088 0.639 16.598 1.00 0.00 O ATOM 0 H ASP A 127 -3.729 3.887 13.969 1.00 0.00 H new ATOM 0 HA ASP A 127 -0.870 3.109 13.923 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -3.271 1.775 15.123 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -2.125 0.743 14.290 1.00 0.00 H new ATOM 1967 N VAL A 128 -1.089 2.203 11.636 1.00 0.00 N ATOM 1968 CA VAL A 128 -1.192 1.764 10.250 1.00 0.00 C ATOM 1969 C VAL A 128 0.039 0.968 9.832 1.00 0.00 C ATOM 1970 O VAL A 128 1.162 1.300 10.209 1.00 0.00 O ATOM 1971 CB VAL A 128 -1.368 2.958 9.292 1.00 0.00 C ATOM 1972 CG1 VAL A 128 -1.713 2.476 7.892 1.00 0.00 C ATOM 1973 CG2 VAL A 128 -2.433 3.910 9.815 1.00 0.00 C ATOM 0 H VAL A 128 -0.135 2.363 11.958 1.00 0.00 H new ATOM 0 HA VAL A 128 -2.073 1.125 10.187 1.00 0.00 H new ATOM 0 HB VAL A 128 -0.424 3.500 9.240 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.833 3.334 7.231 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.911 1.840 7.518 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.643 1.908 7.922 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.543 4.747 9.125 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.383 3.382 9.900 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -2.137 4.284 10.795 1.00 0.00 H new ATOM 1983 N ALA A 129 -0.181 -0.083 9.048 1.00 0.00 N ATOM 1984 CA ALA A 129 0.911 -0.926 8.579 1.00 0.00 C ATOM 1985 C ALA A 129 0.661 -1.409 7.154 1.00 0.00 C ATOM 1986 O ALA A 129 -0.348 -2.058 6.877 1.00 0.00 O ATOM 1987 CB ALA A 129 1.100 -2.112 9.513 1.00 0.00 C ATOM 0 H ALA A 129 -1.105 -0.370 8.725 1.00 0.00 H new ATOM 0 HA ALA A 129 1.822 -0.328 8.577 1.00 0.00 H new ATOM 0 HB1 ALA A 129 1.919 -2.733 9.151 1.00 0.00 H new ATOM 0 HB2 ALA A 129 1.333 -1.752 10.515 1.00 0.00 H new ATOM 0 HB3 ALA A 129 0.183 -2.701 9.543 1.00 0.00 H new ATOM 1993 N ALA A 130 1.586 -1.091 6.255 1.00 0.00 N ATOM 1994 CA ALA A 130 1.468 -1.495 4.859 1.00 0.00 C ATOM 1995 C ALA A 130 1.952 -2.929 4.665 1.00 0.00 C ATOM 1996 O ALA A 130 2.925 -3.355 5.286 1.00 0.00 O ATOM 1997 CB ALA A 130 2.250 -0.544 3.966 1.00 0.00 C ATOM 0 H ALA A 130 2.427 -0.554 6.469 1.00 0.00 H new ATOM 0 HA ALA A 130 0.416 -1.452 4.578 1.00 0.00 H new ATOM 0 HB1 ALA A 130 2.153 -0.858 2.927 1.00 0.00 H new ATOM 0 HB2 ALA A 130 1.857 0.466 4.078 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.302 -0.558 4.252 1.00 0.00 H new ATOM 2003 N ASP A 131 1.268 -3.671 3.799 1.00 0.00 N ATOM 2004 CA ASP A 131 1.632 -5.058 3.524 1.00 0.00 C ATOM 2005 C ASP A 131 3.094 -5.166 3.114 1.00 0.00 C ATOM 2006 O ASP A 131 3.820 -6.047 3.575 1.00 0.00 O ATOM 2007 CB ASP A 131 0.737 -5.635 2.426 1.00 0.00 C ATOM 2008 CG ASP A 131 0.634 -7.146 2.497 1.00 0.00 C ATOM 2009 OD1 ASP A 131 -0.225 -7.649 3.252 1.00 0.00 O ATOM 2010 OD2 ASP A 131 1.415 -7.828 1.800 1.00 0.00 O ATOM 0 H ASP A 131 0.459 -3.336 3.276 1.00 0.00 H new ATOM 0 HA ASP A 131 1.488 -5.633 4.439 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -0.260 -5.202 2.509 1.00 0.00 H new ATOM 0 HB3 ASP A 131 1.130 -5.346 1.451 1.00 0.00 H new ATOM 2015 N SER A 132 3.521 -4.258 2.246 1.00 0.00 N ATOM 2016 CA SER A 132 4.899 -4.238 1.771 1.00 0.00 C ATOM 2017 C SER A 132 5.752 -3.320 2.633 1.00 0.00 C ATOM 2018 O SER A 132 5.485 -2.122 2.738 1.00 0.00 O ATOM 2019 CB SER A 132 4.951 -3.789 0.307 1.00 0.00 C ATOM 2020 OG SER A 132 5.129 -2.387 0.201 1.00 0.00 O ATOM 0 H SER A 132 2.931 -3.523 1.855 1.00 0.00 H new ATOM 0 HA SER A 132 5.300 -5.249 1.843 1.00 0.00 H new ATOM 0 HB2 SER A 132 5.767 -4.300 -0.203 1.00 0.00 H new ATOM 0 HB3 SER A 132 4.029 -4.079 -0.197 1.00 0.00 H new ATOM 0 HG SER A 132 5.160 -2.132 -0.745 1.00 0.00 H new ATOM 2026 N GLN A 133 6.788 -3.889 3.244 1.00 0.00 N ATOM 2027 CA GLN A 133 7.691 -3.119 4.092 1.00 0.00 C ATOM 2028 C GLN A 133 8.162 -1.859 3.372 1.00 0.00 C ATOM 2029 O GLN A 133 8.542 -0.873 4.005 1.00 0.00 O ATOM 2030 CB GLN A 133 8.895 -3.970 4.496 1.00 0.00 C ATOM 2031 CG GLN A 133 9.445 -3.635 5.873 1.00 0.00 C ATOM 2032 CD GLN A 133 10.940 -3.861 5.974 1.00 0.00 C ATOM 2033 OE1 GLN A 133 11.663 -3.060 6.569 1.00 0.00 O ATOM 2034 NE2 GLN A 133 11.415 -4.955 5.392 1.00 0.00 N ATOM 0 H GLN A 133 7.022 -4.879 3.167 1.00 0.00 H new ATOM 0 HA GLN A 133 7.148 -2.825 4.990 1.00 0.00 H new ATOM 0 HB2 GLN A 133 8.609 -5.022 4.475 1.00 0.00 H new ATOM 0 HB3 GLN A 133 9.686 -3.839 3.757 1.00 0.00 H new ATOM 0 HG2 GLN A 133 9.222 -2.594 6.106 1.00 0.00 H new ATOM 0 HG3 GLN A 133 8.938 -4.244 6.621 1.00 0.00 H new ATOM 0 HE21 GLN A 133 10.781 -5.592 4.909 1.00 0.00 H new ATOM 0 HE22 GLN A 133 12.414 -5.159 5.427 1.00 0.00 H new ATOM 2043 N GLU A 134 8.129 -1.897 2.042 1.00 0.00 N ATOM 2044 CA GLU A 134 8.546 -0.755 1.238 1.00 0.00 C ATOM 2045 C GLU A 134 7.498 0.347 1.288 1.00 0.00 C ATOM 2046 O GLU A 134 7.817 1.513 1.520 1.00 0.00 O ATOM 2047 CB GLU A 134 8.790 -1.182 -0.210 1.00 0.00 C ATOM 2048 CG GLU A 134 10.225 -1.600 -0.489 1.00 0.00 C ATOM 2049 CD GLU A 134 10.607 -1.436 -1.947 1.00 0.00 C ATOM 2050 OE1 GLU A 134 9.818 -1.856 -2.819 1.00 0.00 O ATOM 2051 OE2 GLU A 134 11.697 -0.888 -2.217 1.00 0.00 O ATOM 0 H GLU A 134 7.819 -2.704 1.501 1.00 0.00 H new ATOM 0 HA GLU A 134 9.477 -0.368 1.652 1.00 0.00 H new ATOM 0 HB2 GLU A 134 8.125 -2.011 -0.452 1.00 0.00 H new ATOM 0 HB3 GLU A 134 8.525 -0.358 -0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 134 10.899 -1.006 0.128 1.00 0.00 H new ATOM 0 HG3 GLU A 134 10.359 -2.641 -0.197 1.00 0.00 H new ATOM 2058 N GLU A 135 6.244 -0.032 1.077 1.00 0.00 N ATOM 2059 CA GLU A 135 5.145 0.924 1.107 1.00 0.00 C ATOM 2060 C GLU A 135 5.022 1.545 2.492 1.00 0.00 C ATOM 2061 O GLU A 135 4.653 2.710 2.634 1.00 0.00 O ATOM 2062 CB GLU A 135 3.830 0.243 0.721 1.00 0.00 C ATOM 2063 CG GLU A 135 3.542 0.276 -0.771 1.00 0.00 C ATOM 2064 CD GLU A 135 2.403 -0.642 -1.166 1.00 0.00 C ATOM 2065 OE1 GLU A 135 1.240 -0.312 -0.853 1.00 0.00 O ATOM 2066 OE2 GLU A 135 2.675 -1.691 -1.788 1.00 0.00 O ATOM 0 H GLU A 135 5.963 -0.993 0.884 1.00 0.00 H new ATOM 0 HA GLU A 135 5.356 1.712 0.384 1.00 0.00 H new ATOM 0 HB2 GLU A 135 3.856 -0.794 1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.010 0.728 1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 135 3.301 1.297 -1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 135 4.441 -0.011 -1.317 1.00 0.00 H new ATOM 2073 N LEU A 136 5.341 0.756 3.515 1.00 0.00 N ATOM 2074 CA LEU A 136 5.273 1.225 4.891 1.00 0.00 C ATOM 2075 C LEU A 136 6.319 2.302 5.143 1.00 0.00 C ATOM 2076 O LEU A 136 6.013 3.369 5.678 1.00 0.00 O ATOM 2077 CB LEU A 136 5.476 0.061 5.863 1.00 0.00 C ATOM 2078 CG LEU A 136 5.440 0.440 7.343 1.00 0.00 C ATOM 2079 CD1 LEU A 136 4.842 -0.689 8.170 1.00 0.00 C ATOM 2080 CD2 LEU A 136 6.837 0.784 7.839 1.00 0.00 C ATOM 0 H LEU A 136 5.649 -0.211 3.414 1.00 0.00 H new ATOM 0 HA LEU A 136 4.284 1.653 5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 136 4.705 -0.687 5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.435 -0.409 5.647 1.00 0.00 H new ATOM 0 HG LEU A 136 4.808 1.320 7.457 1.00 0.00 H new ATOM 0 HD11 LEU A 136 4.825 -0.401 9.221 1.00 0.00 H new ATOM 0 HD12 LEU A 136 3.825 -0.889 7.832 1.00 0.00 H new ATOM 0 HD13 LEU A 136 5.447 -1.588 8.050 1.00 0.00 H new ATOM 0 HD21 LEU A 136 6.793 1.052 8.895 1.00 0.00 H new ATOM 0 HD22 LEU A 136 7.491 -0.078 7.710 1.00 0.00 H new ATOM 0 HD23 LEU A 136 7.229 1.625 7.268 1.00 0.00 H new ATOM 2092 N GLN A 137 7.554 2.018 4.748 1.00 0.00 N ATOM 2093 CA GLN A 137 8.644 2.968 4.925 1.00 0.00 C ATOM 2094 C GLN A 137 8.464 4.162 3.997 1.00 0.00 C ATOM 2095 O GLN A 137 8.764 5.298 4.362 1.00 0.00 O ATOM 2096 CB GLN A 137 9.991 2.290 4.659 1.00 0.00 C ATOM 2097 CG GLN A 137 10.765 1.959 5.924 1.00 0.00 C ATOM 2098 CD GLN A 137 10.620 0.507 6.332 1.00 0.00 C ATOM 2099 OE1 GLN A 137 11.138 -0.392 5.667 1.00 0.00 O ATOM 2100 NE2 GLN A 137 9.914 0.268 7.430 1.00 0.00 N ATOM 0 H GLN A 137 7.825 1.140 4.304 1.00 0.00 H new ATOM 0 HA GLN A 137 8.629 3.322 5.956 1.00 0.00 H new ATOM 0 HB2 GLN A 137 9.822 1.372 4.096 1.00 0.00 H new ATOM 0 HB3 GLN A 137 10.599 2.942 4.031 1.00 0.00 H new ATOM 0 HG2 GLN A 137 11.820 2.186 5.770 1.00 0.00 H new ATOM 0 HG3 GLN A 137 10.417 2.597 6.736 1.00 0.00 H new ATOM 0 HE21 GLN A 137 9.502 1.043 7.950 1.00 0.00 H new ATOM 0 HE22 GLN A 137 9.783 -0.690 7.754 1.00 0.00 H new ATOM 2109 N ASP A 138 7.959 3.893 2.799 1.00 0.00 N ATOM 2110 CA ASP A 138 7.724 4.943 1.818 1.00 0.00 C ATOM 2111 C ASP A 138 6.551 5.819 2.248 1.00 0.00 C ATOM 2112 O ASP A 138 6.499 7.005 1.924 1.00 0.00 O ATOM 2113 CB ASP A 138 7.449 4.338 0.442 1.00 0.00 C ATOM 2114 CG ASP A 138 7.864 5.258 -0.689 1.00 0.00 C ATOM 2115 OD1 ASP A 138 9.083 5.391 -0.930 1.00 0.00 O ATOM 2116 OD2 ASP A 138 6.972 5.849 -1.332 1.00 0.00 O ATOM 0 H ASP A 138 7.705 2.957 2.484 1.00 0.00 H new ATOM 0 HA ASP A 138 8.620 5.561 1.755 1.00 0.00 H new ATOM 0 HB2 ASP A 138 7.983 3.392 0.351 1.00 0.00 H new ATOM 0 HB3 ASP A 138 6.386 4.114 0.353 1.00 0.00 H new ATOM 2121 N TRP A 139 5.614 5.226 2.984 1.00 0.00 N ATOM 2122 CA TRP A 139 4.448 5.957 3.461 1.00 0.00 C ATOM 2123 C TRP A 139 4.842 6.955 4.541 1.00 0.00 C ATOM 2124 O TRP A 139 4.425 8.112 4.515 1.00 0.00 O ATOM 2125 CB TRP A 139 3.390 4.992 3.998 1.00 0.00 C ATOM 2126 CG TRP A 139 2.280 4.743 3.028 1.00 0.00 C ATOM 2127 CD1 TRP A 139 2.401 4.232 1.770 1.00 0.00 C ATOM 2128 CD2 TRP A 139 0.886 5.000 3.226 1.00 0.00 C ATOM 2129 NE1 TRP A 139 1.166 4.149 1.173 1.00 0.00 N ATOM 2130 CE2 TRP A 139 0.220 4.616 2.047 1.00 0.00 C ATOM 2131 CE3 TRP A 139 0.135 5.516 4.286 1.00 0.00 C ATOM 2132 CZ2 TRP A 139 -1.160 4.732 1.898 1.00 0.00 C ATOM 2133 CZ3 TRP A 139 -1.235 5.631 4.137 1.00 0.00 C ATOM 2134 CH2 TRP A 139 -1.868 5.239 2.952 1.00 0.00 C ATOM 0 H TRP A 139 5.641 4.245 3.261 1.00 0.00 H new ATOM 0 HA TRP A 139 4.026 6.505 2.619 1.00 0.00 H new ATOM 0 HB2 TRP A 139 3.865 4.044 4.249 1.00 0.00 H new ATOM 0 HB3 TRP A 139 2.974 5.395 4.922 1.00 0.00 H new ATOM 0 HD1 TRP A 139 3.332 3.936 1.310 1.00 0.00 H new ATOM 0 HE1 TRP A 139 0.984 3.797 0.233 1.00 0.00 H new ATOM 0 HE3 TRP A 139 0.616 5.819 5.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -1.652 4.433 0.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -1.826 6.030 4.948 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.940 5.339 2.868 1.00 0.00 H new ATOM 2145 N VAL A 140 5.653 6.498 5.488 1.00 0.00 N ATOM 2146 CA VAL A 140 6.109 7.351 6.576 1.00 0.00 C ATOM 2147 C VAL A 140 6.976 8.487 6.048 1.00 0.00 C ATOM 2148 O VAL A 140 6.893 9.620 6.523 1.00 0.00 O ATOM 2149 CB VAL A 140 6.908 6.553 7.624 1.00 0.00 C ATOM 2150 CG1 VAL A 140 7.236 7.425 8.827 1.00 0.00 C ATOM 2151 CG2 VAL A 140 6.140 5.310 8.050 1.00 0.00 C ATOM 0 H VAL A 140 6.007 5.542 5.523 1.00 0.00 H new ATOM 0 HA VAL A 140 5.219 7.763 7.052 1.00 0.00 H new ATOM 0 HB VAL A 140 7.847 6.234 7.170 1.00 0.00 H new ATOM 0 HG11 VAL A 140 7.800 6.843 9.555 1.00 0.00 H new ATOM 0 HG12 VAL A 140 7.832 8.279 8.505 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.311 7.778 9.283 1.00 0.00 H new ATOM 0 HG21 VAL A 140 6.720 4.760 8.790 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.184 5.604 8.484 1.00 0.00 H new ATOM 0 HG23 VAL A 140 5.965 4.675 7.181 1.00 0.00 H new ATOM 2161 N LYS A 141 7.803 8.175 5.058 1.00 0.00 N ATOM 2162 CA LYS A 141 8.684 9.169 4.459 1.00 0.00 C ATOM 2163 C LYS A 141 7.879 10.242 3.738 1.00 0.00 C ATOM 2164 O LYS A 141 8.224 11.423 3.778 1.00 0.00 O ATOM 2165 CB LYS A 141 9.660 8.499 3.487 1.00 0.00 C ATOM 2166 CG LYS A 141 11.117 8.643 3.894 1.00 0.00 C ATOM 2167 CD LYS A 141 11.603 7.427 4.667 1.00 0.00 C ATOM 2168 CE LYS A 141 11.055 7.415 6.085 1.00 0.00 C ATOM 2169 NZ LYS A 141 12.047 7.931 7.069 1.00 0.00 N ATOM 0 H LYS A 141 7.882 7.242 4.653 1.00 0.00 H new ATOM 0 HA LYS A 141 9.253 9.645 5.258 1.00 0.00 H new ATOM 0 HB2 LYS A 141 9.415 7.440 3.412 1.00 0.00 H new ATOM 0 HB3 LYS A 141 9.524 8.929 2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 141 11.732 8.780 3.005 1.00 0.00 H new ATOM 0 HG3 LYS A 141 11.238 9.537 4.506 1.00 0.00 H new ATOM 0 HD2 LYS A 141 11.296 6.518 4.149 1.00 0.00 H new ATOM 0 HD3 LYS A 141 12.693 7.424 4.696 1.00 0.00 H new ATOM 0 HE2 LYS A 141 10.150 8.022 6.130 1.00 0.00 H new ATOM 0 HE3 LYS A 141 10.771 6.398 6.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 11.634 7.906 8.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 12.901 7.337 7.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 12.300 8.910 6.826 1.00 0.00 H new ATOM 2183 N LYS A 142 6.799 9.826 3.086 1.00 0.00 N ATOM 2184 CA LYS A 142 5.944 10.759 2.363 1.00 0.00 C ATOM 2185 C LYS A 142 5.262 11.713 3.333 1.00 0.00 C ATOM 2186 O LYS A 142 5.293 12.929 3.145 1.00 0.00 O ATOM 2187 CB LYS A 142 4.901 10.004 1.537 1.00 0.00 C ATOM 2188 CG LYS A 142 4.726 10.553 0.130 1.00 0.00 C ATOM 2189 CD LYS A 142 5.894 10.175 -0.764 1.00 0.00 C ATOM 2190 CE LYS A 142 5.712 8.790 -1.365 1.00 0.00 C ATOM 2191 NZ LYS A 142 6.289 8.698 -2.735 1.00 0.00 N ATOM 0 H LYS A 142 6.496 8.853 3.043 1.00 0.00 H new ATOM 0 HA LYS A 142 6.567 11.340 1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 142 5.189 8.954 1.475 1.00 0.00 H new ATOM 0 HB3 LYS A 142 3.943 10.042 2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 142 3.800 10.170 -0.298 1.00 0.00 H new ATOM 0 HG3 LYS A 142 4.634 11.638 0.171 1.00 0.00 H new ATOM 0 HD2 LYS A 142 5.994 10.909 -1.563 1.00 0.00 H new ATOM 0 HD3 LYS A 142 6.819 10.204 -0.188 1.00 0.00 H new ATOM 0 HE2 LYS A 142 6.187 8.050 -0.721 1.00 0.00 H new ATOM 0 HE3 LYS A 142 4.650 8.547 -1.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 6.144 7.738 -3.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 5.819 9.387 -3.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 7.308 8.905 -2.697 1.00 0.00 H new ATOM 2205 N ILE A 143 4.664 11.159 4.383 1.00 0.00 N ATOM 2206 CA ILE A 143 4.002 11.977 5.389 1.00 0.00 C ATOM 2207 C ILE A 143 4.974 13.023 5.916 1.00 0.00 C ATOM 2208 O ILE A 143 4.607 14.175 6.154 1.00 0.00 O ATOM 2209 CB ILE A 143 3.487 11.123 6.567 1.00 0.00 C ATOM 2210 CG1 ILE A 143 2.561 10.020 6.057 1.00 0.00 C ATOM 2211 CG2 ILE A 143 2.767 11.996 7.584 1.00 0.00 C ATOM 2212 CD1 ILE A 143 2.443 8.846 7.005 1.00 0.00 C ATOM 0 H ILE A 143 4.625 10.155 4.557 1.00 0.00 H new ATOM 0 HA ILE A 143 3.146 12.459 4.917 1.00 0.00 H new ATOM 0 HB ILE A 143 4.342 10.658 7.058 1.00 0.00 H new ATOM 0 HG12 ILE A 143 1.570 10.439 5.885 1.00 0.00 H new ATOM 0 HG13 ILE A 143 2.928 9.664 5.094 1.00 0.00 H new ATOM 0 HG21 ILE A 143 2.411 11.377 8.407 1.00 0.00 H new ATOM 0 HG22 ILE A 143 3.454 12.750 7.968 1.00 0.00 H new ATOM 0 HG23 ILE A 143 1.919 12.487 7.106 1.00 0.00 H new ATOM 0 HD11 ILE A 143 1.770 8.101 6.580 1.00 0.00 H new ATOM 0 HD12 ILE A 143 3.426 8.402 7.158 1.00 0.00 H new ATOM 0 HD13 ILE A 143 2.047 9.189 7.961 1.00 0.00 H new ATOM 2224 N ARG A 144 6.225 12.604 6.071 1.00 0.00 N ATOM 2225 CA ARG A 144 7.275 13.491 6.546 1.00 0.00 C ATOM 2226 C ARG A 144 7.748 14.406 5.420 1.00 0.00 C ATOM 2227 O ARG A 144 8.211 15.520 5.669 1.00 0.00 O ATOM 2228 CB ARG A 144 8.451 12.679 7.093 1.00 0.00 C ATOM 2229 CG ARG A 144 8.346 12.382 8.579 1.00 0.00 C ATOM 2230 CD ARG A 144 8.904 11.008 8.914 1.00 0.00 C ATOM 2231 NE ARG A 144 9.192 10.867 10.339 1.00 0.00 N ATOM 2232 CZ ARG A 144 9.802 9.810 10.873 1.00 0.00 C ATOM 2233 NH1 ARG A 144 10.188 8.801 10.102 1.00 0.00 N ATOM 2234 NH2 ARG A 144 10.025 9.763 12.179 1.00 0.00 N ATOM 0 H ARG A 144 6.535 11.653 5.873 1.00 0.00 H new ATOM 0 HA ARG A 144 6.870 14.106 7.350 1.00 0.00 H new ATOM 0 HB2 ARG A 144 8.517 11.738 6.547 1.00 0.00 H new ATOM 0 HB3 ARG A 144 9.376 13.223 6.904 1.00 0.00 H new ATOM 0 HG2 ARG A 144 8.887 13.143 9.142 1.00 0.00 H new ATOM 0 HG3 ARG A 144 7.303 12.438 8.889 1.00 0.00 H new ATOM 0 HD2 ARG A 144 8.189 10.243 8.611 1.00 0.00 H new ATOM 0 HD3 ARG A 144 9.816 10.837 8.341 1.00 0.00 H new ATOM 0 HE ARG A 144 8.909 11.623 10.962 1.00 0.00 H new ATOM 0 HH11 ARG A 144 10.018 8.833 9.097 1.00 0.00 H new ATOM 0 HH12 ARG A 144 10.655 7.993 10.515 1.00 0.00 H new ATOM 0 HH21 ARG A 144 9.729 10.536 12.775 1.00 0.00 H new ATOM 0 HH22 ARG A 144 10.492 8.954 12.588 1.00 0.00 H new ATOM 2248 N GLU A 145 7.624 13.934 4.179 1.00 0.00 N ATOM 2249 CA GLU A 145 8.038 14.723 3.026 1.00 0.00 C ATOM 2250 C GLU A 145 7.053 15.856 2.771 1.00 0.00 C ATOM 2251 O GLU A 145 7.445 16.954 2.376 1.00 0.00 O ATOM 2252 CB GLU A 145 8.152 13.837 1.784 1.00 0.00 C ATOM 2253 CG GLU A 145 9.082 14.397 0.721 1.00 0.00 C ATOM 2254 CD GLU A 145 9.797 13.311 -0.060 1.00 0.00 C ATOM 2255 OE1 GLU A 145 9.978 12.205 0.492 1.00 0.00 O ATOM 2256 OE2 GLU A 145 10.176 13.567 -1.222 1.00 0.00 O ATOM 0 H GLU A 145 7.243 13.016 3.951 1.00 0.00 H new ATOM 0 HA GLU A 145 9.016 15.153 3.241 1.00 0.00 H new ATOM 0 HB2 GLU A 145 8.507 12.851 2.083 1.00 0.00 H new ATOM 0 HB3 GLU A 145 7.160 13.701 1.352 1.00 0.00 H new ATOM 0 HG2 GLU A 145 8.508 15.017 0.032 1.00 0.00 H new ATOM 0 HG3 GLU A 145 9.820 15.045 1.194 1.00 0.00 H new ATOM 2263 N VAL A 146 5.775 15.587 3.014 1.00 0.00 N ATOM 2264 CA VAL A 146 4.739 16.592 2.827 1.00 0.00 C ATOM 2265 C VAL A 146 4.738 17.563 3.997 1.00 0.00 C ATOM 2266 O VAL A 146 4.474 18.754 3.834 1.00 0.00 O ATOM 2267 CB VAL A 146 3.344 15.951 2.695 1.00 0.00 C ATOM 2268 CG1 VAL A 146 2.289 17.011 2.419 1.00 0.00 C ATOM 2269 CG2 VAL A 146 3.343 14.893 1.602 1.00 0.00 C ATOM 0 H VAL A 146 5.434 14.683 3.340 1.00 0.00 H new ATOM 0 HA VAL A 146 4.960 17.125 1.902 1.00 0.00 H new ATOM 0 HB VAL A 146 3.099 15.466 3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 146 1.312 16.537 2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 146 2.270 17.728 3.240 1.00 0.00 H new ATOM 0 HG13 VAL A 146 2.528 17.529 1.490 1.00 0.00 H new ATOM 0 HG21 VAL A 146 2.349 14.452 1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 146 3.612 15.352 0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 146 4.067 14.116 1.847 1.00 0.00 H new ATOM 2279 N ALA A 147 5.052 17.042 5.179 1.00 0.00 N ATOM 2280 CA ALA A 147 5.105 17.856 6.382 1.00 0.00 C ATOM 2281 C ALA A 147 6.303 18.791 6.340 1.00 0.00 C ATOM 2282 O ALA A 147 6.222 19.946 6.760 1.00 0.00 O ATOM 2283 CB ALA A 147 5.171 16.967 7.611 1.00 0.00 C ATOM 0 H ALA A 147 5.274 16.057 5.326 1.00 0.00 H new ATOM 0 HA ALA A 147 4.199 18.460 6.434 1.00 0.00 H new ATOM 0 HB1 ALA A 147 5.210 17.587 8.507 1.00 0.00 H new ATOM 0 HB2 ALA A 147 4.286 16.331 7.648 1.00 0.00 H new ATOM 0 HB3 ALA A 147 6.064 16.344 7.562 1.00 0.00 H new ATOM 2289 N GLN A 148 7.417 18.286 5.820 1.00 0.00 N ATOM 2290 CA GLN A 148 8.634 19.078 5.710 1.00 0.00 C ATOM 2291 C GLN A 148 8.431 20.244 4.746 1.00 0.00 C ATOM 2292 O GLN A 148 9.168 21.229 4.784 1.00 0.00 O ATOM 2293 CB GLN A 148 9.797 18.201 5.239 1.00 0.00 C ATOM 2294 CG GLN A 148 11.067 18.981 4.940 1.00 0.00 C ATOM 2295 CD GLN A 148 12.322 18.231 5.342 1.00 0.00 C ATOM 2296 OE1 GLN A 148 12.279 17.034 5.626 1.00 0.00 O ATOM 2297 NE2 GLN A 148 13.447 18.934 5.372 1.00 0.00 N ATOM 0 H GLN A 148 7.501 17.332 5.469 1.00 0.00 H new ATOM 0 HA GLN A 148 8.872 19.480 6.695 1.00 0.00 H new ATOM 0 HB2 GLN A 148 10.011 17.455 6.004 1.00 0.00 H new ATOM 0 HB3 GLN A 148 9.493 17.661 4.342 1.00 0.00 H new ATOM 0 HG2 GLN A 148 11.108 19.205 3.874 1.00 0.00 H new ATOM 0 HG3 GLN A 148 11.035 19.935 5.466 1.00 0.00 H new ATOM 0 HE21 GLN A 148 13.436 19.924 5.129 1.00 0.00 H new ATOM 0 HE22 GLN A 148 14.323 18.484 5.638 1.00 0.00 H new ATOM 2306 N THR A 149 7.425 20.126 3.885 1.00 0.00 N ATOM 2307 CA THR A 149 7.125 21.171 2.913 1.00 0.00 C ATOM 2308 C THR A 149 5.946 22.013 3.382 1.00 0.00 C ATOM 2309 O THR A 149 5.880 23.215 3.124 1.00 0.00 O ATOM 2310 CB THR A 149 6.810 20.560 1.545 1.00 0.00 C ATOM 2311 OG1 THR A 149 5.473 20.097 1.498 1.00 0.00 O ATOM 2312 CG2 THR A 149 7.709 19.400 1.178 1.00 0.00 C ATOM 0 H THR A 149 6.804 19.318 3.841 1.00 0.00 H new ATOM 0 HA THR A 149 8.004 21.810 2.821 1.00 0.00 H new ATOM 0 HB THR A 149 6.977 21.365 0.829 1.00 0.00 H new ATOM 0 HG1 THR A 149 5.279 19.576 2.305 1.00 0.00 H new ATOM 0 HG21 THR A 149 7.428 19.018 0.197 1.00 0.00 H new ATOM 0 HG22 THR A 149 8.745 19.737 1.153 1.00 0.00 H new ATOM 0 HG23 THR A 149 7.603 18.608 1.920 1.00 0.00 H new ATOM 2320 N ALA A 150 5.014 21.367 4.074 1.00 0.00 N ATOM 2321 CA ALA A 150 3.831 22.042 4.585 1.00 0.00 C ATOM 2322 C ALA A 150 3.077 22.759 3.469 1.00 0.00 C ATOM 2323 O ALA A 150 3.489 22.625 2.298 1.00 0.00 O ATOM 2324 CB ALA A 150 4.212 23.023 5.684 1.00 0.00 C ATOM 2325 OXT ALA A 150 2.082 23.450 3.776 1.00 0.00 O ATOM 0 H ALA A 150 5.057 20.372 4.294 1.00 0.00 H new ATOM 0 HA ALA A 150 3.168 21.285 5.004 1.00 0.00 H new ATOM 0 HB1 ALA A 150 3.316 23.519 6.055 1.00 0.00 H new ATOM 0 HB2 ALA A 150 4.694 22.485 6.501 1.00 0.00 H new ATOM 0 HB3 ALA A 150 4.900 23.768 5.284 1.00 0.00 H new