USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 452 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 71 GLN : amide:sc= 0 X(o=-1,f=-1) USER MOD Set 1.2: A 98 TYR OH : rot 180:sc= -1.03 USER MOD Set 2.1: A 37 THR OG1 : rot 180:sc= 0.017 USER MOD Set 2.2: A 39 ASN : amide:sc= -0.22 X(o=-0.2,f=0.017) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00634 USER MOD Single : A 13 MET CE :methyl 159:sc= -0.178 (180deg=-0.895) USER MOD Single : A 14 LYS NZ :NH3+ -121:sc= -0.603 (180deg=-1.98!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0698 USER MOD Single : A 18 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0458) USER MOD Single : A 21 LYS NZ :NH3+ 154:sc= -0.255 (180deg=-0.915) USER MOD Single : A 24 ASN :FLIP amide:sc= 0.265 F(o=-1.9!,f=0.26) USER MOD Single : A 27 LYS NZ :NH3+ 156:sc= -0.0338 (180deg=-0.281) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 34 HIS : no HD1:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 35 CYS SG : rot -60:sc= -5.15! USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.014 USER MOD Single : A 48 ASN :FLIP amide:sc= 0.0129 F(o=-1.4,f=0.013) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 50 SER OG : rot 68:sc= 0.683 USER MOD Single : A 53 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.00074) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 MET CE :methyl -124:sc= -3.29! (180deg=-5.18!) USER MOD Single : A 62 SER OG : rot 180:sc= -0.987 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.053 X(o=-0.053,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 115:sc= -0.288 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -29:sc= 0.378 USER MOD Single : A 92 ASN :FLIP amide:sc= -3.74! C(o=-5.1!,f=-3.7!) USER MOD Single : A 97 TYR OH : rot -59:sc= 0.358 USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 6 11.445 -8.458 1.479 1.00 0.00 N ATOM 12 CA LEU A 6 10.414 -7.440 1.313 1.00 0.00 C ATOM 13 C LEU A 6 10.713 -6.550 0.111 1.00 0.00 C ATOM 14 O LEU A 6 9.817 -5.899 -0.428 1.00 0.00 O ATOM 15 CB LEU A 6 10.304 -6.586 2.579 1.00 0.00 C ATOM 16 CG LEU A 6 9.310 -7.099 3.621 1.00 0.00 C ATOM 17 CD1 LEU A 6 9.804 -6.798 5.026 1.00 0.00 C ATOM 18 CD2 LEU A 6 7.936 -6.484 3.393 1.00 0.00 C ATOM 0 HA LEU A 6 9.465 -7.946 1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 6 11.289 -6.519 3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.017 -5.574 2.293 1.00 0.00 H new ATOM 0 HG LEU A 6 9.226 -8.180 3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.083 -7.171 5.753 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.766 -7.286 5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.919 -5.721 5.148 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.240 -6.860 4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.005 -5.399 3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.578 -6.752 2.399 1.00 0.00 H new ATOM 28 N GLY A 7 11.976 -6.526 -0.304 1.00 0.00 N ATOM 29 CA GLY A 7 12.369 -5.710 -1.440 1.00 0.00 C ATOM 30 C GLY A 7 11.918 -6.299 -2.763 1.00 0.00 C ATOM 31 O GLY A 7 11.571 -5.566 -3.690 1.00 0.00 O ATOM 0 H GLY A 7 12.734 -7.056 0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.948 -4.711 -1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.453 -5.600 -1.446 1.00 0.00 H new ATOM 35 N ALA A 8 11.920 -7.626 -2.851 1.00 0.00 N ATOM 36 CA ALA A 8 11.510 -8.313 -4.071 1.00 0.00 C ATOM 37 C ALA A 8 10.018 -8.127 -4.329 1.00 0.00 C ATOM 38 O ALA A 8 9.615 -7.715 -5.417 1.00 0.00 O ATOM 39 CB ALA A 8 11.851 -9.794 -3.982 1.00 0.00 C ATOM 0 H ALA A 8 12.201 -8.247 -2.092 1.00 0.00 H new ATOM 0 HA ALA A 8 12.055 -7.875 -4.907 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.540 -10.295 -4.899 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.927 -9.912 -3.851 1.00 0.00 H new ATOM 0 HB3 ALA A 8 11.331 -10.237 -3.132 1.00 0.00 H new ATOM 45 N LEU A 9 9.205 -8.430 -3.322 1.00 0.00 N ATOM 46 CA LEU A 9 7.758 -8.294 -3.438 1.00 0.00 C ATOM 47 C LEU A 9 7.369 -6.845 -3.713 1.00 0.00 C ATOM 48 O LEU A 9 6.544 -6.569 -4.585 1.00 0.00 O ATOM 49 CB LEU A 9 7.074 -8.787 -2.164 1.00 0.00 C ATOM 50 CG LEU A 9 5.548 -8.700 -2.179 1.00 0.00 C ATOM 51 CD1 LEU A 9 4.935 -10.071 -2.414 1.00 0.00 C ATOM 52 CD2 LEU A 9 5.042 -8.103 -0.877 1.00 0.00 C ATOM 0 H LEU A 9 9.524 -8.772 -2.416 1.00 0.00 H new ATOM 0 HA LEU A 9 7.426 -8.905 -4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.363 -9.824 -1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.448 -8.207 -1.320 1.00 0.00 H new ATOM 0 HG LEU A 9 5.246 -8.048 -2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.848 -9.987 -2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.275 -10.462 -3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.241 -10.748 -1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.954 -8.047 -0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.354 -8.731 -0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.454 -7.102 -0.751 1.00 0.00 H new ATOM 62 N TYR A 10 7.976 -5.923 -2.971 1.00 0.00 N ATOM 63 CA TYR A 10 7.700 -4.501 -3.141 1.00 0.00 C ATOM 64 C TYR A 10 7.948 -4.081 -4.586 1.00 0.00 C ATOM 65 O TYR A 10 7.179 -3.312 -5.162 1.00 0.00 O ATOM 66 CB TYR A 10 8.572 -3.672 -2.192 1.00 0.00 C ATOM 67 CG TYR A 10 8.654 -2.205 -2.561 1.00 0.00 C ATOM 68 CD1 TYR A 10 7.676 -1.309 -2.151 1.00 0.00 C ATOM 69 CD2 TYR A 10 9.710 -1.721 -3.324 1.00 0.00 C ATOM 70 CE1 TYR A 10 7.747 0.030 -2.491 1.00 0.00 C ATOM 71 CE2 TYR A 10 9.788 -0.386 -3.669 1.00 0.00 C ATOM 72 CZ TYR A 10 8.804 0.485 -3.251 1.00 0.00 C ATOM 73 OH TYR A 10 8.879 1.816 -3.593 1.00 0.00 O ATOM 0 H TYR A 10 8.662 -6.136 -2.247 1.00 0.00 H new ATOM 0 HA TYR A 10 6.652 -4.321 -2.900 1.00 0.00 H new ATOM 0 HB2 TYR A 10 8.177 -3.761 -1.180 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.578 -4.091 -2.179 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.846 -1.663 -1.557 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.483 -2.400 -3.653 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.979 0.715 -2.163 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.615 -0.026 -4.263 1.00 0.00 H new ATOM 0 HH TYR A 10 9.685 1.971 -4.129 1.00 0.00 H new ATOM 81 N LEU A 11 9.030 -4.593 -5.163 1.00 0.00 N ATOM 82 CA LEU A 11 9.385 -4.277 -6.540 1.00 0.00 C ATOM 83 C LEU A 11 8.323 -4.791 -7.505 1.00 0.00 C ATOM 84 O LEU A 11 8.027 -4.152 -8.515 1.00 0.00 O ATOM 85 CB LEU A 11 10.749 -4.873 -6.886 1.00 0.00 C ATOM 86 CG LEU A 11 11.815 -3.849 -7.276 1.00 0.00 C ATOM 87 CD1 LEU A 11 13.195 -4.323 -6.848 1.00 0.00 C ATOM 88 CD2 LEU A 11 11.780 -3.589 -8.774 1.00 0.00 C ATOM 0 H LEU A 11 9.677 -5.229 -4.697 1.00 0.00 H new ATOM 0 HA LEU A 11 9.440 -3.193 -6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 11 11.109 -5.443 -6.029 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.624 -5.578 -7.708 1.00 0.00 H new ATOM 0 HG LEU A 11 11.599 -2.914 -6.759 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.940 -3.581 -7.135 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.214 -4.458 -5.767 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.422 -5.271 -7.336 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.545 -2.858 -9.034 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.970 -4.519 -9.309 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.800 -3.203 -9.054 1.00 0.00 H new ATOM 98 N SER A 12 7.744 -5.944 -7.182 1.00 0.00 N ATOM 99 CA SER A 12 6.702 -6.533 -8.018 1.00 0.00 C ATOM 100 C SER A 12 5.523 -5.579 -8.134 1.00 0.00 C ATOM 101 O SER A 12 4.959 -5.402 -9.214 1.00 0.00 O ATOM 102 CB SER A 12 6.241 -7.870 -7.437 1.00 0.00 C ATOM 103 OG SER A 12 7.338 -8.625 -6.956 1.00 0.00 O ATOM 0 H SER A 12 7.977 -6.487 -6.351 1.00 0.00 H new ATOM 0 HA SER A 12 7.114 -6.710 -9.012 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.535 -7.693 -6.626 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.712 -8.439 -8.202 1.00 0.00 H new ATOM 0 HG SER A 12 7.015 -9.474 -6.589 1.00 0.00 H new ATOM 107 N MET A 13 5.163 -4.954 -7.018 1.00 0.00 N ATOM 108 CA MET A 13 4.058 -4.002 -6.999 1.00 0.00 C ATOM 109 C MET A 13 4.452 -2.729 -7.738 1.00 0.00 C ATOM 110 O MET A 13 3.603 -2.031 -8.294 1.00 0.00 O ATOM 111 CB MET A 13 3.654 -3.664 -5.561 1.00 0.00 C ATOM 112 CG MET A 13 3.989 -4.753 -4.554 1.00 0.00 C ATOM 113 SD MET A 13 4.057 -4.134 -2.861 1.00 0.00 S ATOM 114 CE MET A 13 2.378 -3.550 -2.646 1.00 0.00 C ATOM 0 H MET A 13 5.620 -5.089 -6.116 1.00 0.00 H new ATOM 0 HA MET A 13 3.205 -4.460 -7.499 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.151 -2.741 -5.262 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.581 -3.473 -5.531 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.242 -5.544 -4.618 1.00 0.00 H new ATOM 0 HG3 MET A 13 4.949 -5.199 -4.813 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.148 -3.488 -1.582 1.00 0.00 H new ATOM 0 HE2 MET A 13 2.275 -2.563 -3.098 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.687 -4.243 -3.127 1.00 0.00 H new ATOM 120 N LYS A 14 5.751 -2.440 -7.741 1.00 0.00 N ATOM 121 CA LYS A 14 6.279 -1.261 -8.405 1.00 0.00 C ATOM 122 C LYS A 14 6.162 -1.392 -9.920 1.00 0.00 C ATOM 123 O LYS A 14 6.344 -0.417 -10.652 1.00 0.00 O ATOM 124 CB LYS A 14 7.738 -1.073 -8.007 1.00 0.00 C ATOM 125 CG LYS A 14 8.005 0.219 -7.259 1.00 0.00 C ATOM 126 CD LYS A 14 8.477 1.323 -8.192 1.00 0.00 C ATOM 127 CE LYS A 14 9.877 1.054 -8.723 1.00 0.00 C ATOM 128 NZ LYS A 14 9.848 0.463 -10.088 1.00 0.00 N ATOM 0 H LYS A 14 6.460 -3.015 -7.285 1.00 0.00 H new ATOM 0 HA LYS A 14 5.698 -0.392 -8.096 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.047 -1.913 -7.385 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.356 -1.097 -8.904 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.096 0.538 -6.748 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.758 0.045 -6.491 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.783 1.414 -9.027 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.466 2.276 -7.663 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.443 1.985 -8.742 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.399 0.378 -8.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.324 -0.461 -10.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.861 0.340 -10.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.338 1.097 -10.751 1.00 0.00 H new ATOM 134 N ASP A 15 5.860 -2.602 -10.384 1.00 0.00 N ATOM 135 CA ASP A 15 5.722 -2.862 -11.812 1.00 0.00 C ATOM 136 C ASP A 15 4.547 -2.080 -12.393 1.00 0.00 C ATOM 137 O ASP A 15 3.923 -1.271 -11.704 1.00 0.00 O ATOM 138 CB ASP A 15 5.545 -4.362 -12.062 1.00 0.00 C ATOM 139 CG ASP A 15 5.839 -4.755 -13.495 1.00 0.00 C ATOM 140 OD1 ASP A 15 7.032 -4.787 -13.869 1.00 0.00 O ATOM 141 OD2 ASP A 15 4.880 -5.034 -14.246 1.00 0.00 O ATOM 0 H ASP A 15 5.706 -3.417 -9.791 1.00 0.00 H new ATOM 0 HA ASP A 15 6.631 -2.530 -12.313 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.204 -4.918 -11.395 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.523 -4.650 -11.813 1.00 0.00 H new ATOM 144 N THR A 16 4.255 -2.317 -13.666 1.00 0.00 N ATOM 145 CA THR A 16 3.162 -1.629 -14.342 1.00 0.00 C ATOM 146 C THR A 16 1.823 -2.315 -14.083 1.00 0.00 C ATOM 147 O THR A 16 1.102 -1.955 -13.151 1.00 0.00 O ATOM 148 CB THR A 16 3.409 -1.552 -15.858 1.00 0.00 C ATOM 149 OG1 THR A 16 4.130 -2.709 -16.298 1.00 0.00 O ATOM 150 CG2 THR A 16 4.189 -0.296 -16.218 1.00 0.00 C ATOM 0 H THR A 16 4.761 -2.981 -14.252 1.00 0.00 H new ATOM 0 HA THR A 16 3.123 -0.619 -13.934 1.00 0.00 H new ATOM 0 HB THR A 16 2.441 -1.515 -16.358 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.281 -2.652 -17.265 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.351 -0.265 -17.295 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.624 0.584 -15.910 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.152 -0.306 -15.707 1.00 0.00 H new ATOM 158 N GLU A 17 1.490 -3.298 -14.915 1.00 0.00 N ATOM 159 CA GLU A 17 0.231 -4.024 -14.779 1.00 0.00 C ATOM 160 C GLU A 17 0.386 -5.247 -13.878 1.00 0.00 C ATOM 161 O GLU A 17 -0.542 -5.620 -13.161 1.00 0.00 O ATOM 162 CB GLU A 17 -0.283 -4.455 -16.153 1.00 0.00 C ATOM 163 CG GLU A 17 -1.631 -3.851 -16.515 1.00 0.00 C ATOM 164 CD GLU A 17 -1.499 -2.575 -17.324 1.00 0.00 C ATOM 165 OE1 GLU A 17 -0.704 -2.562 -18.287 1.00 0.00 O ATOM 166 OE2 GLU A 17 -2.191 -1.590 -16.994 1.00 0.00 O ATOM 0 H GLU A 17 2.075 -3.610 -15.690 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.491 -3.351 -14.317 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.448 -4.172 -16.910 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.363 -5.542 -16.177 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.211 -4.579 -17.083 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.189 -3.642 -15.602 1.00 0.00 H new ATOM 169 N LYS A 18 1.559 -5.869 -13.928 1.00 0.00 N ATOM 170 CA LYS A 18 1.830 -7.056 -13.121 1.00 0.00 C ATOM 171 C LYS A 18 1.714 -6.749 -11.631 1.00 0.00 C ATOM 172 O LYS A 18 1.347 -7.616 -10.837 1.00 0.00 O ATOM 173 CB LYS A 18 3.223 -7.602 -13.434 1.00 0.00 C ATOM 174 CG LYS A 18 3.204 -8.852 -14.300 1.00 0.00 C ATOM 175 CD LYS A 18 3.495 -10.101 -13.482 1.00 0.00 C ATOM 176 CE LYS A 18 2.222 -10.701 -12.906 1.00 0.00 C ATOM 177 NZ LYS A 18 1.421 -11.410 -13.944 1.00 0.00 N ATOM 0 H LYS A 18 2.337 -5.573 -14.517 1.00 0.00 H new ATOM 0 HA LYS A 18 1.084 -7.810 -13.373 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.803 -6.829 -13.938 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.736 -7.825 -12.498 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.230 -8.949 -14.780 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.943 -8.756 -15.095 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.995 -10.839 -14.109 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.181 -9.854 -12.672 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.478 -11.397 -12.107 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.619 -9.911 -12.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.666 -11.959 -13.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.999 -10.714 -14.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.039 -12.052 -14.480 1.00 0.00 H new ATOM 183 N GLY A 19 2.031 -5.512 -11.256 1.00 0.00 N ATOM 184 CA GLY A 19 1.959 -5.120 -9.860 1.00 0.00 C ATOM 185 C GLY A 19 0.570 -4.671 -9.444 1.00 0.00 C ATOM 186 O GLY A 19 -0.432 -5.184 -9.941 1.00 0.00 O ATOM 0 H GLY A 19 2.336 -4.776 -11.893 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.266 -5.959 -9.236 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.667 -4.311 -9.678 1.00 0.00 H new ATOM 190 N ILE A 20 0.520 -3.716 -8.520 1.00 0.00 N ATOM 191 CA ILE A 20 -0.745 -3.186 -8.008 1.00 0.00 C ATOM 192 C ILE A 20 -1.377 -2.204 -8.974 1.00 0.00 C ATOM 193 O ILE A 20 -2.030 -1.239 -8.574 1.00 0.00 O ATOM 194 CB ILE A 20 -0.527 -2.484 -6.673 1.00 0.00 C ATOM 195 CG1 ILE A 20 0.549 -1.415 -6.823 1.00 0.00 C ATOM 196 CG2 ILE A 20 -0.125 -3.502 -5.639 1.00 0.00 C ATOM 197 CD1 ILE A 20 0.110 -0.062 -6.334 1.00 0.00 C ATOM 0 H ILE A 20 1.348 -3.288 -8.106 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.416 -4.035 -7.882 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.450 -2.000 -6.353 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.438 -1.723 -6.272 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.834 -1.340 -7.872 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.032 -3.005 -4.682 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.914 -4.247 -5.536 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.798 -3.991 -5.950 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.921 0.654 -6.468 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.761 0.265 -6.902 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.148 -0.123 -5.277 1.00 0.00 H new ATOM 207 N LYS A 21 -1.186 -2.485 -10.241 1.00 0.00 N ATOM 208 CA LYS A 21 -1.733 -1.666 -11.320 1.00 0.00 C ATOM 209 C LYS A 21 -1.425 -0.182 -11.111 1.00 0.00 C ATOM 210 O LYS A 21 -2.152 0.519 -10.404 1.00 0.00 O ATOM 211 CB LYS A 21 -3.238 -1.887 -11.410 1.00 0.00 C ATOM 212 CG LYS A 21 -3.641 -2.932 -12.430 1.00 0.00 C ATOM 213 CD LYS A 21 -3.659 -2.362 -13.839 1.00 0.00 C ATOM 214 CE LYS A 21 -4.629 -3.120 -14.732 1.00 0.00 C ATOM 215 NZ LYS A 21 -6.025 -3.057 -14.215 1.00 0.00 N ATOM 0 H LYS A 21 -0.647 -3.288 -10.564 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.261 -1.969 -12.255 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.612 -2.185 -10.430 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.720 -0.942 -11.661 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.947 -3.771 -12.385 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.628 -3.321 -12.182 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.941 -1.310 -13.804 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.657 -2.409 -14.265 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.596 -2.704 -15.739 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.316 -4.161 -14.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.693 -3.173 -15.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.173 -3.817 -13.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.185 -2.136 -13.759 1.00 0.00 H new ATOM 221 N GLU A 22 -0.347 0.285 -11.737 1.00 0.00 N ATOM 222 CA GLU A 22 0.077 1.680 -11.636 1.00 0.00 C ATOM 223 C GLU A 22 -1.101 2.636 -11.791 1.00 0.00 C ATOM 224 O GLU A 22 -1.678 2.760 -12.872 1.00 0.00 O ATOM 225 CB GLU A 22 1.135 1.987 -12.699 1.00 0.00 C ATOM 226 CG GLU A 22 0.859 1.325 -14.041 1.00 0.00 C ATOM 227 CD GLU A 22 1.349 2.151 -15.216 1.00 0.00 C ATOM 228 OE1 GLU A 22 1.509 3.378 -15.055 1.00 0.00 O ATOM 229 OE2 GLU A 22 1.570 1.567 -16.298 1.00 0.00 O ATOM 0 H GLU A 22 0.255 -0.290 -12.326 1.00 0.00 H new ATOM 0 HA GLU A 22 0.503 1.826 -10.643 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.193 3.066 -12.841 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.109 1.660 -12.335 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.340 0.347 -14.064 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.213 1.155 -14.144 1.00 0.00 H new ATOM 232 N LEU A 23 -1.448 3.311 -10.702 1.00 0.00 N ATOM 233 CA LEU A 23 -2.554 4.262 -10.705 1.00 0.00 C ATOM 234 C LEU A 23 -2.127 5.597 -10.101 1.00 0.00 C ATOM 235 O LEU A 23 -1.581 5.644 -9.001 1.00 0.00 O ATOM 236 CB LEU A 23 -3.742 3.698 -9.929 1.00 0.00 C ATOM 237 CG LEU A 23 -5.021 3.513 -10.744 1.00 0.00 C ATOM 238 CD1 LEU A 23 -4.921 2.272 -11.611 1.00 0.00 C ATOM 239 CD2 LEU A 23 -6.229 3.428 -9.825 1.00 0.00 C ATOM 0 H LEU A 23 -0.978 3.217 -9.802 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.851 4.430 -11.740 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.456 2.734 -9.507 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.957 4.361 -9.091 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.146 4.378 -11.395 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.840 2.154 -12.185 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.077 2.372 -12.293 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.774 1.397 -10.978 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.132 3.296 -10.422 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.114 2.580 -9.150 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.309 4.347 -9.244 1.00 0.00 H new ATOM 249 N ASN A 24 -2.385 6.675 -10.831 1.00 0.00 N ATOM 250 CA ASN A 24 -2.032 8.016 -10.374 1.00 0.00 C ATOM 251 C ASN A 24 -3.207 8.667 -9.648 1.00 0.00 C ATOM 252 O ASN A 24 -4.355 8.255 -9.816 1.00 0.00 O ATOM 253 CB ASN A 24 -1.610 8.885 -11.560 1.00 0.00 C ATOM 254 CG ASN A 24 -2.713 9.033 -12.590 1.00 0.00 C ATOM 255 OD1 ASN A 24 -2.965 7.969 -13.348 1.00 0.00 O flip ATOM 256 ND2 ASN A 24 -3.335 10.089 -12.705 1.00 0.00 N flip ATOM 0 H ASN A 24 -2.838 6.648 -11.744 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.197 7.930 -9.678 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.319 9.871 -11.199 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.731 8.447 -12.033 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.110 10.881 -12.103 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.075 10.172 -13.402 1.00 0.00 H new ATOM 261 N LEU A 25 -2.915 9.686 -8.843 1.00 0.00 N ATOM 262 CA LEU A 25 -3.957 10.388 -8.096 1.00 0.00 C ATOM 263 C LEU A 25 -3.633 11.873 -7.986 1.00 0.00 C ATOM 264 O LEU A 25 -2.534 12.250 -7.578 1.00 0.00 O ATOM 265 CB LEU A 25 -4.107 9.781 -6.701 1.00 0.00 C ATOM 266 CG LEU A 25 -5.545 9.631 -6.201 1.00 0.00 C ATOM 267 CD1 LEU A 25 -5.659 8.429 -5.273 1.00 0.00 C ATOM 268 CD2 LEU A 25 -5.997 10.898 -5.490 1.00 0.00 C ATOM 0 H LEU A 25 -1.972 10.043 -8.691 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.898 10.278 -8.635 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.635 8.798 -6.698 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.557 10.401 -5.993 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.196 9.469 -7.060 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.688 8.334 -4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.374 7.525 -5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.998 8.566 -4.418 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.022 10.773 -5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.344 11.090 -4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.949 11.740 -6.181 1.00 0.00 H new ATOM 278 N GLU A 26 -4.594 12.714 -8.356 1.00 0.00 N ATOM 279 CA GLU A 26 -4.408 14.159 -8.300 1.00 0.00 C ATOM 280 C GLU A 26 -5.301 14.786 -7.235 1.00 0.00 C ATOM 281 O GLU A 26 -6.525 14.805 -7.370 1.00 0.00 O ATOM 282 CB GLU A 26 -4.703 14.782 -9.665 1.00 0.00 C ATOM 283 CG GLU A 26 -3.796 15.954 -10.007 1.00 0.00 C ATOM 284 CD GLU A 26 -4.520 17.051 -10.763 1.00 0.00 C ATOM 285 OE1 GLU A 26 -5.493 16.738 -11.481 1.00 0.00 O ATOM 286 OE2 GLU A 26 -4.113 18.226 -10.637 1.00 0.00 O ATOM 0 H GLU A 26 -5.509 12.419 -8.698 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.370 14.357 -8.034 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.600 14.017 -10.434 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.740 15.117 -9.686 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.379 16.366 -9.088 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.958 15.597 -10.606 1.00 0.00 H new ATOM 289 N LYS A 27 -4.679 15.302 -6.179 1.00 0.00 N ATOM 290 CA LYS A 27 -5.413 15.935 -5.089 1.00 0.00 C ATOM 291 C LYS A 27 -5.866 17.340 -5.491 1.00 0.00 C ATOM 292 O LYS A 27 -6.218 17.578 -6.647 1.00 0.00 O ATOM 293 CB LYS A 27 -4.542 15.992 -3.832 1.00 0.00 C ATOM 294 CG LYS A 27 -5.321 15.797 -2.541 1.00 0.00 C ATOM 295 CD LYS A 27 -5.101 14.411 -1.958 1.00 0.00 C ATOM 296 CE LYS A 27 -4.236 14.463 -0.709 1.00 0.00 C ATOM 297 NZ LYS A 27 -4.917 15.175 0.408 1.00 0.00 N ATOM 0 H LYS A 27 -3.667 15.294 -6.055 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.300 15.339 -4.873 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.770 15.225 -3.900 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.032 16.955 -3.797 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.016 16.550 -1.814 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.384 15.948 -2.730 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.063 13.960 -1.717 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.627 13.772 -2.704 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.989 13.449 -0.396 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.296 14.964 -0.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.520 14.857 1.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.772 16.200 0.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.935 14.966 0.383 1.00 0.00 H new ATOM 303 N ASP A 28 -5.854 18.270 -4.536 1.00 0.00 N ATOM 304 CA ASP A 28 -6.267 19.644 -4.805 1.00 0.00 C ATOM 305 C ASP A 28 -5.390 20.273 -5.884 1.00 0.00 C ATOM 306 O ASP A 28 -5.856 20.552 -6.989 1.00 0.00 O ATOM 307 CB ASP A 28 -6.201 20.479 -3.526 1.00 0.00 C ATOM 308 CG ASP A 28 -7.575 20.751 -2.945 1.00 0.00 C ATOM 309 OD1 ASP A 28 -8.087 19.889 -2.201 1.00 0.00 O ATOM 310 OD2 ASP A 28 -8.141 21.827 -3.236 1.00 0.00 O ATOM 0 H ASP A 28 -5.564 18.096 -3.574 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.296 19.625 -5.164 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.593 19.959 -2.786 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.705 21.426 -3.738 1.00 0.00 H new ATOM 313 N LYS A 29 -4.120 20.494 -5.557 1.00 0.00 N ATOM 314 CA LYS A 29 -3.180 21.088 -6.499 1.00 0.00 C ATOM 315 C LYS A 29 -1.896 20.267 -6.582 1.00 0.00 C ATOM 316 O LYS A 29 -0.925 20.678 -7.218 1.00 0.00 O ATOM 317 CB LYS A 29 -2.857 22.525 -6.091 1.00 0.00 C ATOM 318 CG LYS A 29 -2.480 23.418 -7.261 1.00 0.00 C ATOM 319 CD LYS A 29 -3.046 24.820 -7.098 1.00 0.00 C ATOM 320 CE LYS A 29 -2.184 25.852 -7.806 1.00 0.00 C ATOM 321 NZ LYS A 29 -1.114 26.384 -6.918 1.00 0.00 N ATOM 0 H LYS A 29 -3.719 20.270 -4.646 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.647 21.094 -7.484 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.721 22.952 -5.582 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.037 22.515 -5.373 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.394 23.470 -7.345 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.851 22.981 -8.188 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.059 24.854 -7.498 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.114 25.066 -6.038 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.732 25.403 -8.690 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.811 26.674 -8.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.548 27.085 -7.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.546 26.835 -6.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.500 25.604 -6.609 1.00 0.00 H new ATOM 327 N LYS A 30 -1.901 19.106 -5.935 1.00 0.00 N ATOM 328 CA LYS A 30 -0.738 18.225 -5.933 1.00 0.00 C ATOM 329 C LYS A 30 -0.976 17.007 -6.818 1.00 0.00 C ATOM 330 O LYS A 30 -2.119 16.633 -7.082 1.00 0.00 O ATOM 331 CB LYS A 30 -0.416 17.776 -4.506 1.00 0.00 C ATOM 332 CG LYS A 30 0.170 18.879 -3.639 1.00 0.00 C ATOM 333 CD LYS A 30 1.595 18.559 -3.218 1.00 0.00 C ATOM 334 CE LYS A 30 2.572 19.608 -3.719 1.00 0.00 C ATOM 335 NZ LYS A 30 3.730 19.772 -2.797 1.00 0.00 N ATOM 0 H LYS A 30 -2.698 18.753 -5.405 1.00 0.00 H new ATOM 0 HA LYS A 30 0.109 18.782 -6.333 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.326 17.402 -4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.287 16.944 -4.546 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.154 19.821 -4.187 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.450 19.015 -2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.650 18.499 -2.131 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.879 17.581 -3.606 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.932 19.326 -4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.056 20.562 -3.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.374 20.497 -3.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.389 20.066 -1.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.237 18.868 -2.713 1.00 0.00 H new ATOM 341 N ILE A 31 0.112 16.390 -7.274 1.00 0.00 N ATOM 342 CA ILE A 31 0.022 15.213 -8.131 1.00 0.00 C ATOM 343 C ILE A 31 0.891 14.076 -7.599 1.00 0.00 C ATOM 344 O ILE A 31 2.093 14.025 -7.862 1.00 0.00 O ATOM 345 CB ILE A 31 0.446 15.534 -9.576 1.00 0.00 C ATOM 346 CG1 ILE A 31 -0.343 16.734 -10.102 1.00 0.00 C ATOM 347 CG2 ILE A 31 0.234 14.323 -10.474 1.00 0.00 C ATOM 348 CD1 ILE A 31 0.179 17.269 -11.415 1.00 0.00 C ATOM 0 H ILE A 31 1.065 16.686 -7.064 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.022 14.901 -8.128 1.00 0.00 H new ATOM 0 HB ILE A 31 1.507 15.784 -9.581 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.387 16.447 -10.225 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.317 17.530 -9.358 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.539 14.567 -11.492 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.831 13.489 -10.107 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.820 14.045 -10.467 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.427 18.119 -11.729 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.214 17.588 -11.292 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.127 16.487 -12.173 1.00 0.00 H new ATOM 358 N PHE A 32 0.275 13.163 -6.853 1.00 0.00 N ATOM 359 CA PHE A 32 0.992 12.023 -6.290 1.00 0.00 C ATOM 360 C PHE A 32 1.057 10.879 -7.301 1.00 0.00 C ATOM 361 O PHE A 32 0.160 10.723 -8.134 1.00 0.00 O ATOM 362 CB PHE A 32 0.318 11.556 -4.999 1.00 0.00 C ATOM 363 CG PHE A 32 0.147 12.646 -3.982 1.00 0.00 C ATOM 364 CD1 PHE A 32 1.249 13.292 -3.444 1.00 0.00 C ATOM 365 CD2 PHE A 32 -1.118 13.027 -3.563 1.00 0.00 C ATOM 366 CE1 PHE A 32 1.093 14.297 -2.508 1.00 0.00 C ATOM 367 CE2 PHE A 32 -1.281 14.031 -2.628 1.00 0.00 C ATOM 368 CZ PHE A 32 -0.173 14.667 -2.100 1.00 0.00 C ATOM 0 H PHE A 32 -0.719 13.190 -6.624 1.00 0.00 H new ATOM 0 HA PHE A 32 2.010 12.335 -6.057 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.660 11.139 -5.240 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.909 10.751 -4.561 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.242 13.007 -3.760 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.987 12.533 -3.972 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.960 14.792 -2.096 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.272 14.318 -2.310 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.298 15.452 -1.369 1.00 0.00 H new ATOM 376 N ASN A 33 2.128 10.089 -7.231 1.00 0.00 N ATOM 377 CA ASN A 33 2.318 8.974 -8.154 1.00 0.00 C ATOM 378 C ASN A 33 2.066 7.622 -7.486 1.00 0.00 C ATOM 379 O ASN A 33 2.433 7.398 -6.324 1.00 0.00 O ATOM 380 CB ASN A 33 3.732 9.007 -8.734 1.00 0.00 C ATOM 381 CG ASN A 33 3.806 9.785 -10.033 1.00 0.00 C ATOM 382 OD1 ASN A 33 3.286 10.897 -10.136 1.00 0.00 O ATOM 383 ND2 ASN A 33 4.454 9.203 -11.036 1.00 0.00 N ATOM 0 H ASN A 33 2.875 10.201 -6.546 1.00 0.00 H new ATOM 0 HA ASN A 33 1.587 9.089 -8.954 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.410 9.454 -8.007 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.076 7.987 -8.905 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.536 9.679 -11.935 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.870 8.281 -10.907 1.00 0.00 H new ATOM 388 N HIS A 34 1.446 6.719 -8.246 1.00 0.00 N ATOM 389 CA HIS A 34 1.140 5.379 -7.762 1.00 0.00 C ATOM 390 C HIS A 34 0.424 5.440 -6.419 1.00 0.00 C ATOM 391 O HIS A 34 0.920 4.925 -5.420 1.00 0.00 O ATOM 392 CB HIS A 34 2.419 4.553 -7.647 1.00 0.00 C ATOM 393 CG HIS A 34 3.087 4.302 -8.962 1.00 0.00 C ATOM 394 ND1 HIS A 34 3.860 5.247 -9.606 1.00 0.00 N ATOM 395 CD2 HIS A 34 3.097 3.206 -9.758 1.00 0.00 C ATOM 396 CE1 HIS A 34 4.314 4.742 -10.740 1.00 0.00 C ATOM 397 NE2 HIS A 34 3.866 3.507 -10.854 1.00 0.00 N ATOM 0 H HIS A 34 1.146 6.896 -9.205 1.00 0.00 H new ATOM 0 HA HIS A 34 0.476 4.898 -8.480 1.00 0.00 H new ATOM 0 HB2 HIS A 34 3.117 5.068 -6.986 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.184 3.597 -7.179 1.00 0.00 H new ATOM 0 HD2 HIS A 34 2.594 2.270 -9.566 1.00 0.00 H new ATOM 0 HE1 HIS A 34 4.945 5.254 -11.452 1.00 0.00 H new ATOM 0 HE2 HIS A 34 4.060 2.877 -11.632 1.00 0.00 H new ATOM 404 N CYS A 35 -0.740 6.079 -6.407 1.00 0.00 N ATOM 405 CA CYS A 35 -1.528 6.217 -5.188 1.00 0.00 C ATOM 406 C CYS A 35 -2.707 5.259 -5.192 1.00 0.00 C ATOM 407 O CYS A 35 -3.467 5.191 -6.158 1.00 0.00 O ATOM 408 CB CYS A 35 -2.011 7.657 -5.038 1.00 0.00 C ATOM 409 SG CYS A 35 -1.081 8.835 -6.039 1.00 0.00 S ATOM 0 H CYS A 35 -1.160 6.511 -7.230 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.894 5.966 -4.338 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.064 7.709 -5.314 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.941 7.948 -3.990 1.00 0.00 H new ATOM 0 HG CYS A 35 0.171 8.808 -5.690 1.00 0.00 H new ATOM 413 N PHE A 36 -2.839 4.503 -4.111 1.00 0.00 N ATOM 414 CA PHE A 36 -3.907 3.525 -3.989 1.00 0.00 C ATOM 415 C PHE A 36 -4.464 3.500 -2.568 1.00 0.00 C ATOM 416 O PHE A 36 -4.112 4.338 -1.739 1.00 0.00 O ATOM 417 CB PHE A 36 -3.388 2.133 -4.377 1.00 0.00 C ATOM 418 CG PHE A 36 -1.969 1.863 -3.935 1.00 0.00 C ATOM 419 CD1 PHE A 36 -0.903 2.547 -4.506 1.00 0.00 C ATOM 420 CD2 PHE A 36 -1.704 0.927 -2.949 1.00 0.00 C ATOM 421 CE1 PHE A 36 0.394 2.304 -4.100 1.00 0.00 C ATOM 422 CE2 PHE A 36 -0.406 0.681 -2.542 1.00 0.00 C ATOM 423 CZ PHE A 36 0.643 1.371 -3.117 1.00 0.00 C ATOM 0 H PHE A 36 -2.217 4.550 -3.304 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.713 3.810 -4.665 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.043 1.378 -3.943 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.448 2.023 -5.460 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.091 3.279 -5.278 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.519 0.384 -2.494 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.212 2.844 -4.552 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.212 -0.052 -1.773 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.657 1.180 -2.797 1.00 0.00 H new ATOM 431 N THR A 37 -5.334 2.532 -2.299 1.00 0.00 N ATOM 432 CA THR A 37 -5.939 2.392 -0.981 1.00 0.00 C ATOM 433 C THR A 37 -5.215 1.332 -0.157 1.00 0.00 C ATOM 434 O THR A 37 -4.212 0.771 -0.598 1.00 0.00 O ATOM 435 CB THR A 37 -7.430 2.019 -1.085 1.00 0.00 C ATOM 436 OG1 THR A 37 -7.646 1.173 -2.222 1.00 0.00 O ATOM 437 CG2 THR A 37 -8.291 3.266 -1.207 1.00 0.00 C ATOM 0 H THR A 37 -5.636 1.833 -2.978 1.00 0.00 H new ATOM 0 HA THR A 37 -5.849 3.358 -0.485 1.00 0.00 H new ATOM 0 HB THR A 37 -7.713 1.487 -0.177 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.596 0.939 -2.280 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.340 2.978 -1.279 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.147 3.895 -0.329 1.00 0.00 H new ATOM 0 HG23 THR A 37 -8.004 3.820 -2.101 1.00 0.00 H new ATOM 445 N GLY A 38 -5.726 1.063 1.041 1.00 0.00 N ATOM 446 CA GLY A 38 -5.109 0.073 1.904 1.00 0.00 C ATOM 447 C GLY A 38 -5.565 -1.340 1.591 1.00 0.00 C ATOM 448 O GLY A 38 -4.744 -2.250 1.475 1.00 0.00 O ATOM 0 H GLY A 38 -6.555 1.513 1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.025 0.132 1.802 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.344 0.305 2.943 1.00 0.00 H new ATOM 452 N ASN A 39 -6.875 -1.523 1.457 1.00 0.00 N ATOM 453 CA ASN A 39 -7.438 -2.838 1.162 1.00 0.00 C ATOM 454 C ASN A 39 -7.012 -3.327 -0.221 1.00 0.00 C ATOM 455 O ASN A 39 -7.228 -4.487 -0.572 1.00 0.00 O ATOM 456 CB ASN A 39 -8.966 -2.795 1.253 1.00 0.00 C ATOM 457 CG ASN A 39 -9.610 -2.265 -0.014 1.00 0.00 C ATOM 458 OD1 ASN A 39 -10.245 -3.010 -0.761 1.00 0.00 O ATOM 459 ND2 ASN A 39 -9.448 -0.972 -0.263 1.00 0.00 N ATOM 0 H ASN A 39 -7.567 -0.779 1.548 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.054 -3.538 1.904 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.343 -3.797 1.456 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.259 -2.168 2.095 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.857 -0.559 -1.101 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.914 -0.391 0.383 1.00 0.00 H new ATOM 464 N CYS A 40 -6.406 -2.438 -1.001 1.00 0.00 N ATOM 465 CA CYS A 40 -5.950 -2.781 -2.343 1.00 0.00 C ATOM 466 C CYS A 40 -4.796 -3.777 -2.292 1.00 0.00 C ATOM 467 O CYS A 40 -4.868 -4.854 -2.882 1.00 0.00 O ATOM 468 CB CYS A 40 -5.515 -1.522 -3.096 1.00 0.00 C ATOM 469 SG CYS A 40 -4.626 -1.853 -4.637 1.00 0.00 S ATOM 0 H CYS A 40 -6.219 -1.474 -0.726 1.00 0.00 H new ATOM 0 HA CYS A 40 -6.783 -3.244 -2.871 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.397 -0.922 -3.320 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.879 -0.923 -2.444 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.302 -0.728 -5.202 1.00 0.00 H new ATOM 473 N VAL A 41 -3.730 -3.407 -1.585 1.00 0.00 N ATOM 474 CA VAL A 41 -2.556 -4.263 -1.460 1.00 0.00 C ATOM 475 C VAL A 41 -2.913 -5.622 -0.868 1.00 0.00 C ATOM 476 O VAL A 41 -2.273 -6.627 -1.174 1.00 0.00 O ATOM 477 CB VAL A 41 -1.472 -3.600 -0.589 1.00 0.00 C ATOM 478 CG1 VAL A 41 -0.246 -4.493 -0.473 1.00 0.00 C ATOM 479 CG2 VAL A 41 -1.097 -2.246 -1.162 1.00 0.00 C ATOM 0 H VAL A 41 -3.657 -2.518 -1.090 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.167 -4.409 -2.467 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.876 -3.455 0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.504 -4.002 0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.529 -5.442 -0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.166 -4.676 -1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.330 -1.787 -0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.713 -2.373 -2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.978 -1.604 -1.186 1.00 0.00 H new ATOM 489 N ILE A 42 -3.937 -5.651 -0.022 1.00 0.00 N ATOM 490 CA ILE A 42 -4.367 -6.897 0.603 1.00 0.00 C ATOM 491 C ILE A 42 -4.993 -7.834 -0.424 1.00 0.00 C ATOM 492 O ILE A 42 -4.704 -9.029 -0.443 1.00 0.00 O ATOM 493 CB ILE A 42 -5.379 -6.649 1.740 1.00 0.00 C ATOM 494 CG1 ILE A 42 -4.992 -5.410 2.553 1.00 0.00 C ATOM 495 CG2 ILE A 42 -5.468 -7.870 2.641 1.00 0.00 C ATOM 496 CD1 ILE A 42 -3.651 -5.524 3.246 1.00 0.00 C ATOM 0 H ILE A 42 -4.482 -4.831 0.246 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.475 -7.360 1.025 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.358 -6.470 1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.975 -4.544 1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.762 -5.224 3.302 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.186 -7.682 3.439 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.793 -8.731 2.056 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.489 -8.075 3.074 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.449 -4.608 3.800 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.668 -6.369 3.935 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.869 -5.678 2.502 1.00 0.00 H new ATOM 506 N ASP A 43 -5.851 -7.282 -1.279 1.00 0.00 N ATOM 507 CA ASP A 43 -6.517 -8.070 -2.310 1.00 0.00 C ATOM 508 C ASP A 43 -5.526 -8.510 -3.385 1.00 0.00 C ATOM 509 O ASP A 43 -5.654 -9.593 -3.955 1.00 0.00 O ATOM 510 CB ASP A 43 -7.651 -7.264 -2.945 1.00 0.00 C ATOM 511 CG ASP A 43 -9.020 -7.770 -2.536 1.00 0.00 C ATOM 512 OD1 ASP A 43 -9.522 -8.713 -3.183 1.00 0.00 O ATOM 513 OD2 ASP A 43 -9.592 -7.223 -1.569 1.00 0.00 O ATOM 0 H ASP A 43 -6.100 -6.293 -1.277 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.933 -8.960 -1.839 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.553 -6.217 -2.658 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.560 -7.307 -4.030 1.00 0.00 H new ATOM 516 N TRP A 44 -4.540 -7.660 -3.654 1.00 0.00 N ATOM 517 CA TRP A 44 -3.522 -7.955 -4.657 1.00 0.00 C ATOM 518 C TRP A 44 -2.583 -9.052 -4.167 1.00 0.00 C ATOM 519 O TRP A 44 -2.367 -10.051 -4.853 1.00 0.00 O ATOM 520 CB TRP A 44 -2.727 -6.689 -4.983 1.00 0.00 C ATOM 521 CG TRP A 44 -1.710 -6.883 -6.065 1.00 0.00 C ATOM 522 CD1 TRP A 44 -1.926 -6.840 -7.412 1.00 0.00 C ATOM 523 CD2 TRP A 44 -0.314 -7.147 -5.889 1.00 0.00 C ATOM 524 NE1 TRP A 44 -0.752 -7.060 -8.083 1.00 0.00 N ATOM 525 CE2 TRP A 44 0.253 -7.252 -7.173 1.00 0.00 C ATOM 526 CE3 TRP A 44 0.512 -7.304 -4.773 1.00 0.00 C ATOM 527 CZ2 TRP A 44 1.608 -7.507 -7.368 1.00 0.00 C ATOM 528 CZ3 TRP A 44 1.856 -7.558 -4.970 1.00 0.00 C ATOM 529 CH2 TRP A 44 2.392 -7.656 -6.259 1.00 0.00 C ATOM 0 H TRP A 44 -4.424 -6.759 -3.190 1.00 0.00 H new ATOM 0 HA TRP A 44 -4.019 -8.307 -5.561 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.419 -5.902 -5.283 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.224 -6.343 -4.080 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -2.882 -6.659 -7.880 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.644 -7.078 -9.097 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.107 -7.228 -3.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.025 -7.584 -8.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.504 -7.683 -4.115 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.447 -7.853 -6.380 1.00 0.00 H new ATOM 538 N LEU A 45 -2.036 -8.858 -2.972 1.00 0.00 N ATOM 539 CA LEU A 45 -1.127 -9.829 -2.376 1.00 0.00 C ATOM 540 C LEU A 45 -1.814 -11.183 -2.238 1.00 0.00 C ATOM 541 O LEU A 45 -1.195 -12.231 -2.428 1.00 0.00 O ATOM 542 CB LEU A 45 -0.657 -9.337 -1.003 1.00 0.00 C ATOM 543 CG LEU A 45 0.816 -8.929 -0.922 1.00 0.00 C ATOM 544 CD1 LEU A 45 1.015 -7.519 -1.452 1.00 0.00 C ATOM 545 CD2 LEU A 45 1.315 -9.034 0.510 1.00 0.00 C ATOM 0 H LEU A 45 -2.207 -8.034 -2.396 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.261 -9.941 -3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.270 -8.484 -0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.839 -10.124 -0.272 1.00 0.00 H new ATOM 0 HG LEU A 45 1.395 -9.611 -1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.069 -7.250 -1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.695 -7.473 -2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.424 -6.821 -0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.364 -8.741 0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.728 -8.375 1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.211 -10.062 0.857 1.00 0.00 H new ATOM 555 N VAL A 46 -3.103 -11.147 -1.911 1.00 0.00 N ATOM 556 CA VAL A 46 -3.897 -12.359 -1.752 1.00 0.00 C ATOM 557 C VAL A 46 -4.151 -13.018 -3.106 1.00 0.00 C ATOM 558 O VAL A 46 -4.189 -14.244 -3.213 1.00 0.00 O ATOM 559 CB VAL A 46 -5.238 -12.045 -1.048 1.00 0.00 C ATOM 560 CG1 VAL A 46 -6.294 -13.102 -1.345 1.00 0.00 C ATOM 561 CG2 VAL A 46 -5.030 -11.913 0.452 1.00 0.00 C ATOM 0 H VAL A 46 -3.622 -10.284 -1.750 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.334 -13.054 -1.129 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.602 -11.096 -1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.221 -12.845 -0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.474 -13.145 -2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.944 -14.074 -0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.983 -11.692 0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.632 -12.847 0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.326 -11.105 0.652 1.00 0.00 H new ATOM 571 N SER A 47 -4.311 -12.194 -4.136 1.00 0.00 N ATOM 572 CA SER A 47 -4.551 -12.693 -5.485 1.00 0.00 C ATOM 573 C SER A 47 -3.281 -13.305 -6.069 1.00 0.00 C ATOM 574 O SER A 47 -3.328 -14.022 -7.069 1.00 0.00 O ATOM 575 CB SER A 47 -5.053 -11.561 -6.386 1.00 0.00 C ATOM 576 OG SER A 47 -4.511 -11.665 -7.692 1.00 0.00 O ATOM 0 H SER A 47 -4.279 -11.177 -4.062 1.00 0.00 H new ATOM 0 HA SER A 47 -5.314 -13.469 -5.433 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.141 -11.590 -6.438 1.00 0.00 H new ATOM 0 HB3 SER A 47 -4.780 -10.599 -5.952 1.00 0.00 H new ATOM 0 HG SER A 47 -4.849 -10.931 -8.246 1.00 0.00 H new ATOM 580 N ASN A 48 -2.147 -13.020 -5.435 1.00 0.00 N ATOM 581 CA ASN A 48 -0.862 -13.543 -5.888 1.00 0.00 C ATOM 582 C ASN A 48 -0.506 -14.824 -5.137 1.00 0.00 C ATOM 583 O ASN A 48 -1.382 -15.506 -4.606 1.00 0.00 O ATOM 584 CB ASN A 48 0.236 -12.495 -5.690 1.00 0.00 C ATOM 585 CG ASN A 48 1.060 -12.277 -6.945 1.00 0.00 C ATOM 586 OD1 ASN A 48 1.548 -13.364 -7.530 1.00 0.00 O flip ATOM 587 ND2 ASN A 48 1.254 -11.142 -7.384 1.00 0.00 N flip ATOM 0 H ASN A 48 -2.092 -12.429 -4.605 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.942 -13.776 -6.950 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.217 -11.551 -5.387 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.892 -12.809 -4.878 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.860 -10.334 -6.902 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.809 -11.010 -8.230 1.00 0.00 H new ATOM 592 N GLN A 49 0.785 -15.148 -5.101 1.00 0.00 N ATOM 593 CA GLN A 49 1.253 -16.348 -4.417 1.00 0.00 C ATOM 594 C GLN A 49 1.872 -16.003 -3.065 1.00 0.00 C ATOM 595 O GLN A 49 2.354 -16.883 -2.351 1.00 0.00 O ATOM 596 CB GLN A 49 2.275 -17.088 -5.282 1.00 0.00 C ATOM 597 CG GLN A 49 1.825 -17.285 -6.722 1.00 0.00 C ATOM 598 CD GLN A 49 2.852 -18.026 -7.556 1.00 0.00 C ATOM 599 OE1 GLN A 49 3.779 -18.637 -7.023 1.00 0.00 O ATOM 600 NE2 GLN A 49 2.691 -17.975 -8.874 1.00 0.00 N ATOM 0 H GLN A 49 1.523 -14.596 -5.537 1.00 0.00 H new ATOM 0 HA GLN A 49 0.392 -16.994 -4.247 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.213 -16.533 -5.276 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.478 -18.062 -4.837 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.886 -17.838 -6.733 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.628 -16.313 -7.174 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.908 -17.457 -9.272 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.350 -18.454 -9.487 1.00 0.00 H new ATOM 605 N SER A 50 1.852 -14.720 -2.719 1.00 0.00 N ATOM 606 CA SER A 50 2.410 -14.258 -1.452 1.00 0.00 C ATOM 607 C SER A 50 1.544 -14.713 -0.283 1.00 0.00 C ATOM 608 O SER A 50 1.979 -15.507 0.551 1.00 0.00 O ATOM 609 CB SER A 50 2.533 -12.733 -1.450 1.00 0.00 C ATOM 610 OG SER A 50 1.733 -12.154 -2.466 1.00 0.00 O ATOM 0 H SER A 50 1.455 -13.981 -3.299 1.00 0.00 H new ATOM 0 HA SER A 50 3.403 -14.694 -1.338 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.231 -12.342 -0.478 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.575 -12.449 -1.598 1.00 0.00 H new ATOM 0 HG SER A 50 0.786 -12.282 -2.249 1.00 0.00 H new ATOM 614 N VAL A 51 0.316 -14.207 -0.230 1.00 0.00 N ATOM 615 CA VAL A 51 -0.615 -14.565 0.833 1.00 0.00 C ATOM 616 C VAL A 51 -1.888 -15.173 0.262 1.00 0.00 C ATOM 617 O VAL A 51 -2.053 -15.270 -0.954 1.00 0.00 O ATOM 618 CB VAL A 51 -0.992 -13.342 1.694 1.00 0.00 C ATOM 619 CG1 VAL A 51 0.217 -12.822 2.451 1.00 0.00 C ATOM 620 CG2 VAL A 51 -1.598 -12.247 0.831 1.00 0.00 C ATOM 0 H VAL A 51 -0.057 -13.547 -0.912 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.108 -15.298 1.460 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.739 -13.656 2.423 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.073 -11.960 3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.602 -13.605 3.104 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.991 -12.527 1.742 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.857 -11.393 1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.876 -11.938 0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.496 -12.624 0.342 1.00 0.00 H new ATOM 630 N ARG A 52 -2.789 -15.574 1.150 1.00 0.00 N ATOM 631 CA ARG A 52 -4.055 -16.166 0.743 1.00 0.00 C ATOM 632 C ARG A 52 -5.214 -15.482 1.457 1.00 0.00 C ATOM 633 O ARG A 52 -6.146 -14.996 0.824 1.00 0.00 O ATOM 634 CB ARG A 52 -4.065 -17.665 1.045 1.00 0.00 C ATOM 635 CG ARG A 52 -4.616 -18.510 -0.091 1.00 0.00 C ATOM 636 CD ARG A 52 -6.095 -18.806 0.098 1.00 0.00 C ATOM 637 NE ARG A 52 -6.336 -20.203 0.452 1.00 0.00 N ATOM 638 CZ ARG A 52 -7.315 -20.602 1.260 1.00 0.00 C ATOM 639 NH1 ARG A 52 -8.146 -19.715 1.792 1.00 0.00 N ATOM 640 NH2 ARG A 52 -7.466 -21.892 1.533 1.00 0.00 N ATOM 0 H ARG A 52 -2.665 -15.499 2.160 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.171 -16.024 -0.331 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.048 -17.989 1.268 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.660 -17.843 1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.466 -17.990 -1.037 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.062 -19.447 -0.151 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.496 -18.160 0.879 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.632 -18.567 -0.820 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.719 -20.913 0.057 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.036 -18.723 1.582 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.895 -20.025 2.411 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.832 -22.578 1.123 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.216 -22.198 2.152 1.00 0.00 H new ATOM 648 N ASN A 53 -5.144 -15.449 2.781 1.00 0.00 N ATOM 649 CA ASN A 53 -6.186 -14.817 3.582 1.00 0.00 C ATOM 650 C ASN A 53 -5.978 -13.308 3.665 1.00 0.00 C ATOM 651 O ASN A 53 -4.888 -12.805 3.386 1.00 0.00 O ATOM 652 CB ASN A 53 -6.219 -15.422 4.987 1.00 0.00 C ATOM 653 CG ASN A 53 -6.114 -16.934 4.969 1.00 0.00 C ATOM 654 OD1 ASN A 53 -7.107 -17.634 4.768 1.00 0.00 O ATOM 655 ND2 ASN A 53 -4.908 -17.448 5.180 1.00 0.00 N ATOM 0 H ASN A 53 -4.379 -15.851 3.323 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.143 -15.002 3.094 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.399 -15.011 5.576 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.145 -15.131 5.483 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -4.778 -18.460 5.180 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -4.112 -16.831 5.342 1.00 0.00 H new ATOM 660 N ARG A 54 -7.026 -12.591 4.062 1.00 0.00 N ATOM 661 CA ARG A 54 -6.959 -11.139 4.193 1.00 0.00 C ATOM 662 C ARG A 54 -5.985 -10.744 5.299 1.00 0.00 C ATOM 663 O ARG A 54 -5.243 -9.768 5.168 1.00 0.00 O ATOM 664 CB ARG A 54 -8.349 -10.568 4.492 1.00 0.00 C ATOM 665 CG ARG A 54 -8.371 -9.055 4.634 1.00 0.00 C ATOM 666 CD ARG A 54 -9.246 -8.617 5.799 1.00 0.00 C ATOM 667 NE ARG A 54 -9.990 -7.396 5.497 1.00 0.00 N ATOM 668 CZ ARG A 54 -11.315 -7.297 5.587 1.00 0.00 C ATOM 669 NH1 ARG A 54 -12.037 -8.344 5.961 1.00 0.00 N ATOM 670 NH2 ARG A 54 -11.917 -6.151 5.300 1.00 0.00 N ATOM 0 H ARG A 54 -7.933 -12.993 4.299 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.601 -10.726 3.250 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.031 -10.859 3.693 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.726 -11.016 5.412 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.356 -8.688 4.782 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.741 -8.607 3.712 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.945 -9.415 6.047 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -8.623 -8.454 6.679 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.465 -6.573 5.201 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.578 -9.228 6.181 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.052 -8.266 6.029 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.365 -5.344 5.010 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.932 -6.077 5.369 1.00 0.00 H new ATOM 678 N GLN A 55 -5.994 -11.508 6.386 1.00 0.00 N ATOM 679 CA GLN A 55 -5.114 -11.245 7.517 1.00 0.00 C ATOM 680 C GLN A 55 -3.652 -11.411 7.120 1.00 0.00 C ATOM 681 O GLN A 55 -2.797 -10.617 7.513 1.00 0.00 O ATOM 682 CB GLN A 55 -5.449 -12.180 8.674 1.00 0.00 C ATOM 683 CG GLN A 55 -5.460 -11.495 10.030 1.00 0.00 C ATOM 684 CD GLN A 55 -6.091 -12.350 11.111 1.00 0.00 C ATOM 685 OE1 GLN A 55 -5.406 -12.843 12.007 1.00 0.00 O ATOM 686 NE2 GLN A 55 -7.405 -12.531 11.032 1.00 0.00 N ATOM 0 H GLN A 55 -6.603 -12.317 6.507 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.269 -10.214 7.835 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.426 -12.629 8.496 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.724 -12.993 8.694 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.438 -11.250 10.317 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.004 -10.554 9.953 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.934 -12.103 10.272 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.885 -13.098 11.732 1.00 0.00 H new ATOM 691 N GLU A 56 -3.371 -12.449 6.337 1.00 0.00 N ATOM 692 CA GLU A 56 -2.013 -12.721 5.882 1.00 0.00 C ATOM 693 C GLU A 56 -1.457 -11.534 5.100 1.00 0.00 C ATOM 694 O GLU A 56 -0.341 -11.081 5.350 1.00 0.00 O ATOM 695 CB GLU A 56 -1.992 -13.980 5.014 1.00 0.00 C ATOM 696 CG GLU A 56 -1.739 -15.264 5.793 1.00 0.00 C ATOM 697 CD GLU A 56 -2.216 -15.192 7.231 1.00 0.00 C ATOM 698 OE1 GLU A 56 -3.445 -15.152 7.448 1.00 0.00 O ATOM 699 OE2 GLU A 56 -1.359 -15.172 8.140 1.00 0.00 O ATOM 0 H GLU A 56 -4.068 -13.116 6.005 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.383 -12.882 6.757 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.945 -14.065 4.492 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.220 -13.871 4.252 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.241 -16.091 5.291 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.672 -15.485 5.781 1.00 0.00 H new ATOM 702 N GLY A 57 -2.246 -11.036 4.153 1.00 0.00 N ATOM 703 CA GLY A 57 -1.818 -9.904 3.353 1.00 0.00 C ATOM 704 C GLY A 57 -1.826 -8.609 4.140 1.00 0.00 C ATOM 705 O GLY A 57 -1.214 -7.621 3.731 1.00 0.00 O ATOM 0 H GLY A 57 -3.173 -11.396 3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.813 -10.090 2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.473 -9.805 2.488 1.00 0.00 H new ATOM 709 N LEU A 58 -2.520 -8.617 5.273 1.00 0.00 N ATOM 710 CA LEU A 58 -2.608 -7.437 6.126 1.00 0.00 C ATOM 711 C LEU A 58 -1.314 -7.230 6.909 1.00 0.00 C ATOM 712 O LEU A 58 -0.787 -6.118 6.967 1.00 0.00 O ATOM 713 CB LEU A 58 -3.788 -7.570 7.090 1.00 0.00 C ATOM 714 CG LEU A 58 -4.640 -6.310 7.246 1.00 0.00 C ATOM 715 CD1 LEU A 58 -6.107 -6.674 7.414 1.00 0.00 C ATOM 716 CD2 LEU A 58 -4.154 -5.485 8.429 1.00 0.00 C ATOM 0 H LEU A 58 -3.030 -9.428 5.622 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.764 -6.568 5.487 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.428 -8.383 6.747 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.407 -7.856 8.070 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.539 -5.710 6.342 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.697 -5.764 7.524 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.448 -7.224 6.537 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.229 -7.295 8.302 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.770 -4.591 8.527 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.227 -6.078 9.341 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.116 -5.194 8.268 1.00 0.00 H new ATOM 726 N MET A 59 -0.808 -8.304 7.509 1.00 0.00 N ATOM 727 CA MET A 59 0.426 -8.233 8.287 1.00 0.00 C ATOM 728 C MET A 59 1.627 -7.978 7.382 1.00 0.00 C ATOM 729 O MET A 59 2.508 -7.184 7.716 1.00 0.00 O ATOM 730 CB MET A 59 0.631 -9.519 9.091 1.00 0.00 C ATOM 731 CG MET A 59 0.311 -10.777 8.309 1.00 0.00 C ATOM 732 SD MET A 59 1.422 -12.142 8.702 1.00 0.00 S ATOM 733 CE MET A 59 1.479 -12.997 7.129 1.00 0.00 C ATOM 0 H MET A 59 -1.232 -9.231 7.472 1.00 0.00 H new ATOM 0 HA MET A 59 0.338 -7.398 8.982 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.666 -9.565 9.431 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.004 -9.485 9.982 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.716 -11.078 8.517 1.00 0.00 H new ATOM 0 HG3 MET A 59 0.370 -10.562 7.242 1.00 0.00 H new ATOM 0 HE1 MET A 59 1.181 -14.036 7.269 1.00 0.00 H new ATOM 0 HE2 MET A 59 0.798 -12.515 6.428 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.493 -12.961 6.732 1.00 0.00 H new ATOM 739 N ILE A 60 1.658 -8.649 6.232 1.00 0.00 N ATOM 740 CA ILE A 60 2.752 -8.480 5.284 1.00 0.00 C ATOM 741 C ILE A 60 2.839 -7.030 4.820 1.00 0.00 C ATOM 742 O ILE A 60 3.914 -6.428 4.827 1.00 0.00 O ATOM 743 CB ILE A 60 2.585 -9.399 4.053 1.00 0.00 C ATOM 744 CG1 ILE A 60 2.592 -10.871 4.480 1.00 0.00 C ATOM 745 CG2 ILE A 60 3.680 -9.129 3.032 1.00 0.00 C ATOM 746 CD1 ILE A 60 3.901 -11.326 5.093 1.00 0.00 C ATOM 0 H ILE A 60 0.941 -9.311 5.937 1.00 0.00 H new ATOM 0 HA ILE A 60 3.671 -8.755 5.801 1.00 0.00 H new ATOM 0 HB ILE A 60 1.624 -9.182 3.587 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.789 -11.034 5.199 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.373 -11.492 3.611 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.546 -9.786 2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.626 -8.090 2.707 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.654 -9.318 3.484 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.827 -12.378 5.369 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.706 -11.196 4.370 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.113 -10.732 5.982 1.00 0.00 H new ATOM 756 N ALA A 61 1.696 -6.473 4.428 1.00 0.00 N ATOM 757 CA ALA A 61 1.642 -5.090 3.975 1.00 0.00 C ATOM 758 C ALA A 61 2.109 -4.152 5.081 1.00 0.00 C ATOM 759 O ALA A 61 2.712 -3.111 4.817 1.00 0.00 O ATOM 760 CB ALA A 61 0.231 -4.732 3.532 1.00 0.00 C ATOM 0 H ALA A 61 0.799 -6.958 4.416 1.00 0.00 H new ATOM 0 HA ALA A 61 2.310 -4.977 3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.207 -3.695 3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.070 -5.386 2.713 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.456 -4.858 4.369 1.00 0.00 H new ATOM 766 N SER A 62 1.836 -4.539 6.326 1.00 0.00 N ATOM 767 CA SER A 62 2.240 -3.745 7.478 1.00 0.00 C ATOM 768 C SER A 62 3.756 -3.619 7.516 1.00 0.00 C ATOM 769 O SER A 62 4.294 -2.551 7.810 1.00 0.00 O ATOM 770 CB SER A 62 1.732 -4.383 8.774 1.00 0.00 C ATOM 771 OG SER A 62 0.850 -3.513 9.459 1.00 0.00 O ATOM 0 H SER A 62 1.337 -5.397 6.559 1.00 0.00 H new ATOM 0 HA SER A 62 1.802 -2.751 7.387 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.221 -5.319 8.546 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.577 -4.630 9.417 1.00 0.00 H new ATOM 0 HG SER A 62 0.539 -3.944 10.282 1.00 0.00 H new ATOM 775 N SER A 63 4.439 -4.717 7.205 1.00 0.00 N ATOM 776 CA SER A 63 5.897 -4.730 7.186 1.00 0.00 C ATOM 777 C SER A 63 6.417 -3.817 6.081 1.00 0.00 C ATOM 778 O SER A 63 7.460 -3.180 6.227 1.00 0.00 O ATOM 779 CB SER A 63 6.417 -6.153 6.979 1.00 0.00 C ATOM 780 OG SER A 63 7.459 -6.452 7.891 1.00 0.00 O ATOM 0 H SER A 63 4.006 -5.608 6.963 1.00 0.00 H new ATOM 0 HA SER A 63 6.259 -4.364 8.147 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.601 -6.864 7.108 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.780 -6.266 5.957 1.00 0.00 H new ATOM 0 HG SER A 63 7.773 -7.368 7.740 1.00 0.00 H new ATOM 784 N LEU A 64 5.672 -3.755 4.979 1.00 0.00 N ATOM 785 CA LEU A 64 6.042 -2.914 3.846 1.00 0.00 C ATOM 786 C LEU A 64 6.205 -1.464 4.289 1.00 0.00 C ATOM 787 O LEU A 64 7.279 -0.876 4.152 1.00 0.00 O ATOM 788 CB LEU A 64 4.977 -2.998 2.750 1.00 0.00 C ATOM 789 CG LEU A 64 5.390 -3.763 1.496 1.00 0.00 C ATOM 790 CD1 LEU A 64 4.209 -4.536 0.933 1.00 0.00 C ATOM 791 CD2 LEU A 64 5.953 -2.811 0.453 1.00 0.00 C ATOM 0 H LEU A 64 4.807 -4.279 4.848 1.00 0.00 H new ATOM 0 HA LEU A 64 6.992 -3.274 3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.087 -3.470 3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.696 -1.985 2.462 1.00 0.00 H new ATOM 0 HG LEU A 64 6.170 -4.475 1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.521 -5.076 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.850 -5.245 1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.408 -3.842 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.242 -3.374 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.195 -2.075 0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.826 -2.301 0.860 1.00 0.00 H new ATOM 801 N LEU A 65 5.127 -0.895 4.821 1.00 0.00 N ATOM 802 CA LEU A 65 5.138 0.487 5.289 1.00 0.00 C ATOM 803 C LEU A 65 6.051 0.644 6.502 1.00 0.00 C ATOM 804 O LEU A 65 6.612 1.715 6.732 1.00 0.00 O ATOM 805 CB LEU A 65 3.716 0.938 5.639 1.00 0.00 C ATOM 806 CG LEU A 65 3.606 2.332 6.266 1.00 0.00 C ATOM 807 CD1 LEU A 65 4.180 3.389 5.334 1.00 0.00 C ATOM 808 CD2 LEU A 65 2.158 2.652 6.604 1.00 0.00 C ATOM 0 H LEU A 65 4.233 -1.371 4.939 1.00 0.00 H new ATOM 0 HA LEU A 65 5.524 1.116 4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.112 0.917 4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.282 0.213 6.327 1.00 0.00 H new ATOM 0 HG LEU A 65 4.186 2.337 7.189 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.092 4.371 5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.231 3.172 5.141 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.630 3.382 4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.099 3.646 7.048 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.558 2.625 5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.778 1.915 7.312 1.00 0.00 H new ATOM 818 N ASN A 66 6.197 -0.431 7.274 1.00 0.00 N ATOM 819 CA ASN A 66 7.043 -0.410 8.462 1.00 0.00 C ATOM 820 C ASN A 66 8.491 -0.111 8.091 1.00 0.00 C ATOM 821 O ASN A 66 9.197 0.590 8.817 1.00 0.00 O ATOM 822 CB ASN A 66 6.959 -1.746 9.201 1.00 0.00 C ATOM 823 CG ASN A 66 6.508 -1.582 10.638 1.00 0.00 C ATOM 824 OD1 ASN A 66 5.565 -2.238 11.084 1.00 0.00 O ATOM 825 ND2 ASN A 66 7.178 -0.703 11.373 1.00 0.00 N ATOM 0 H ASN A 66 5.740 -1.326 7.097 1.00 0.00 H new ATOM 0 HA ASN A 66 6.683 0.381 9.119 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.266 -2.405 8.678 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.935 -2.231 9.182 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.918 -0.550 12.347 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.953 -0.181 10.963 1.00 0.00 H new ATOM 830 N GLU A 67 8.928 -0.649 6.957 1.00 0.00 N ATOM 831 CA GLU A 67 10.291 -0.439 6.486 1.00 0.00 C ATOM 832 C GLU A 67 10.424 0.917 5.803 1.00 0.00 C ATOM 833 O GLU A 67 11.523 1.462 5.692 1.00 0.00 O ATOM 834 CB GLU A 67 10.696 -1.553 5.519 1.00 0.00 C ATOM 835 CG GLU A 67 11.077 -2.853 6.211 1.00 0.00 C ATOM 836 CD GLU A 67 12.287 -3.516 5.583 1.00 0.00 C ATOM 837 OE1 GLU A 67 13.392 -2.941 5.673 1.00 0.00 O ATOM 838 OE2 GLU A 67 12.127 -4.609 5.001 1.00 0.00 O ATOM 0 H GLU A 67 8.357 -1.234 6.347 1.00 0.00 H new ATOM 0 HA GLU A 67 10.956 -0.459 7.349 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.871 -1.745 4.833 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.538 -1.212 4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.282 -2.654 7.263 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.232 -3.540 6.176 1.00 0.00 H new ATOM 841 N GLY A 68 9.297 1.458 5.349 1.00 0.00 N ATOM 842 CA GLY A 68 9.307 2.748 4.683 1.00 0.00 C ATOM 843 C GLY A 68 9.129 2.626 3.182 1.00 0.00 C ATOM 844 O GLY A 68 9.441 3.553 2.434 1.00 0.00 O ATOM 0 H GLY A 68 8.377 1.026 5.431 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.511 3.370 5.091 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.248 3.255 4.894 1.00 0.00 H new ATOM 848 N TYR A 69 8.628 1.475 2.743 1.00 0.00 N ATOM 849 CA TYR A 69 8.407 1.227 1.322 1.00 0.00 C ATOM 850 C TYR A 69 7.230 2.048 0.802 1.00 0.00 C ATOM 851 O TYR A 69 7.307 2.652 -0.268 1.00 0.00 O ATOM 852 CB TYR A 69 8.151 -0.260 1.081 1.00 0.00 C ATOM 853 CG TYR A 69 9.383 -1.125 1.240 1.00 0.00 C ATOM 854 CD1 TYR A 69 10.551 -0.844 0.540 1.00 0.00 C ATOM 855 CD2 TYR A 69 9.377 -2.220 2.093 1.00 0.00 C ATOM 856 CE1 TYR A 69 11.677 -1.632 0.687 1.00 0.00 C ATOM 857 CE2 TYR A 69 10.499 -3.011 2.245 1.00 0.00 C ATOM 858 CZ TYR A 69 11.645 -2.714 1.541 1.00 0.00 C ATOM 859 OH TYR A 69 12.764 -3.500 1.689 1.00 0.00 O ATOM 0 H TYR A 69 8.367 0.699 3.351 1.00 0.00 H new ATOM 0 HA TYR A 69 9.304 1.529 0.781 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.384 -0.604 1.775 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.753 -0.392 0.075 1.00 0.00 H new ATOM 0 HD1 TYR A 69 10.579 0.003 -0.129 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.481 -2.457 2.647 1.00 0.00 H new ATOM 0 HE1 TYR A 69 12.577 -1.401 0.136 1.00 0.00 H new ATOM 0 HE2 TYR A 69 10.478 -3.859 2.913 1.00 0.00 H new ATOM 0 HH TYR A 69 12.576 -4.220 2.327 1.00 0.00 H new ATOM 867 N LEU A 70 6.145 2.065 1.568 1.00 0.00 N ATOM 868 CA LEU A 70 4.948 2.809 1.192 1.00 0.00 C ATOM 869 C LEU A 70 5.006 4.233 1.735 1.00 0.00 C ATOM 870 O LEU A 70 5.893 4.573 2.519 1.00 0.00 O ATOM 871 CB LEU A 70 3.699 2.101 1.726 1.00 0.00 C ATOM 872 CG LEU A 70 2.915 1.272 0.704 1.00 0.00 C ATOM 873 CD1 LEU A 70 2.144 2.182 -0.234 1.00 0.00 C ATOM 874 CD2 LEU A 70 3.844 0.355 -0.080 1.00 0.00 C ATOM 0 H LEU A 70 6.070 1.570 2.457 1.00 0.00 H new ATOM 0 HA LEU A 70 4.899 2.853 0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.998 1.446 2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.030 2.852 2.146 1.00 0.00 H new ATOM 0 HG LEU A 70 2.203 0.647 1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.592 1.578 -0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.445 2.790 0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.840 2.833 -0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.263 -0.223 -0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.585 0.954 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.350 -0.324 0.607 1.00 0.00 H new ATOM 884 N GLN A 71 4.055 5.060 1.318 1.00 0.00 N ATOM 885 CA GLN A 71 3.995 6.447 1.768 1.00 0.00 C ATOM 886 C GLN A 71 2.568 6.831 2.155 1.00 0.00 C ATOM 887 O GLN A 71 1.713 7.020 1.291 1.00 0.00 O ATOM 888 CB GLN A 71 4.515 7.385 0.679 1.00 0.00 C ATOM 889 CG GLN A 71 5.333 8.546 1.222 1.00 0.00 C ATOM 890 CD GLN A 71 6.796 8.458 0.838 1.00 0.00 C ATOM 891 OE1 GLN A 71 7.465 7.463 1.114 1.00 0.00 O ATOM 892 NE2 GLN A 71 7.302 9.507 0.197 1.00 0.00 N ATOM 0 H GLN A 71 3.314 4.795 0.669 1.00 0.00 H new ATOM 0 HA GLN A 71 4.629 6.545 2.649 1.00 0.00 H new ATOM 0 HB2 GLN A 71 5.127 6.815 -0.020 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.670 7.778 0.115 1.00 0.00 H new ATOM 0 HG2 GLN A 71 4.919 9.483 0.849 1.00 0.00 H new ATOM 0 HG3 GLN A 71 5.247 8.569 2.308 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.710 10.311 -0.011 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.282 9.508 -0.086 1.00 0.00 H new ATOM 897 N PRO A 72 2.288 6.944 3.468 1.00 0.00 N ATOM 898 CA PRO A 72 0.953 7.299 3.967 1.00 0.00 C ATOM 899 C PRO A 72 0.488 8.667 3.478 1.00 0.00 C ATOM 900 O PRO A 72 1.178 9.671 3.656 1.00 0.00 O ATOM 901 CB PRO A 72 1.129 7.307 5.492 1.00 0.00 C ATOM 902 CG PRO A 72 2.339 6.478 5.742 1.00 0.00 C ATOM 903 CD PRO A 72 3.241 6.728 4.573 1.00 0.00 C ATOM 0 HA PRO A 72 0.193 6.601 3.615 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.260 8.321 5.869 1.00 0.00 H new ATOM 0 HB3 PRO A 72 0.255 6.891 5.993 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.822 6.760 6.678 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.082 5.422 5.821 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.879 7.597 4.733 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.899 5.880 4.381 1.00 0.00 H new ATOM 905 N ALA A 73 -0.695 8.695 2.870 1.00 0.00 N ATOM 906 CA ALA A 73 -1.270 9.934 2.362 1.00 0.00 C ATOM 907 C ALA A 73 -2.593 10.234 3.054 1.00 0.00 C ATOM 908 O ALA A 73 -3.421 9.340 3.251 1.00 0.00 O ATOM 909 CB ALA A 73 -1.460 9.857 0.853 1.00 0.00 C ATOM 0 H ALA A 73 -1.275 7.870 2.718 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.578 10.747 2.579 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.890 10.791 0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.495 9.693 0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.130 9.032 0.612 1.00 0.00 H new ATOM 915 N GLY A 74 -2.786 11.493 3.430 1.00 0.00 N ATOM 916 CA GLY A 74 -4.007 11.890 4.104 1.00 0.00 C ATOM 917 C GLY A 74 -3.772 12.241 5.560 1.00 0.00 C ATOM 918 O GLY A 74 -2.638 12.201 6.037 1.00 0.00 O ATOM 0 H GLY A 74 -2.116 12.248 3.279 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.440 12.749 3.591 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.734 11.081 4.040 1.00 0.00 H new ATOM 922 N ASP A 75 -4.843 12.589 6.266 1.00 0.00 N ATOM 923 CA ASP A 75 -4.746 12.953 7.676 1.00 0.00 C ATOM 924 C ASP A 75 -4.914 11.731 8.574 1.00 0.00 C ATOM 925 O ASP A 75 -4.562 11.763 9.752 1.00 0.00 O ATOM 926 CB ASP A 75 -5.803 14.002 8.025 1.00 0.00 C ATOM 927 CG ASP A 75 -5.436 15.386 7.525 1.00 0.00 C ATOM 928 OD1 ASP A 75 -5.042 15.505 6.346 1.00 0.00 O ATOM 929 OD2 ASP A 75 -5.543 16.349 8.312 1.00 0.00 O ATOM 0 H ASP A 75 -5.788 12.627 5.885 1.00 0.00 H new ATOM 0 HA ASP A 75 -3.753 13.370 7.847 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -6.760 13.706 7.595 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.936 14.033 9.106 1.00 0.00 H new ATOM 932 N MET A 76 -5.459 10.657 8.009 1.00 0.00 N ATOM 933 CA MET A 76 -5.677 9.425 8.763 1.00 0.00 C ATOM 934 C MET A 76 -4.398 8.597 8.843 1.00 0.00 C ATOM 935 O MET A 76 -3.943 8.246 9.934 1.00 0.00 O ATOM 936 CB MET A 76 -6.792 8.602 8.117 1.00 0.00 C ATOM 937 CG MET A 76 -7.293 7.465 8.992 1.00 0.00 C ATOM 938 SD MET A 76 -8.046 6.133 8.036 1.00 0.00 S ATOM 939 CE MET A 76 -9.633 5.987 8.854 1.00 0.00 C ATOM 0 H MET A 76 -5.757 10.614 7.034 1.00 0.00 H new ATOM 0 HA MET A 76 -5.972 9.697 9.776 1.00 0.00 H new ATOM 0 HB2 MET A 76 -7.627 9.261 7.878 1.00 0.00 H new ATOM 0 HB3 MET A 76 -6.430 8.192 7.174 1.00 0.00 H new ATOM 0 HG2 MET A 76 -6.462 7.065 9.573 1.00 0.00 H new ATOM 0 HG3 MET A 76 -8.022 7.853 9.704 1.00 0.00 H new ATOM 0 HE1 MET A 76 -10.218 5.201 8.376 1.00 0.00 H new ATOM 0 HE2 MET A 76 -9.480 5.738 9.904 1.00 0.00 H new ATOM 0 HE3 MET A 76 -10.169 6.933 8.780 1.00 0.00 H new ATOM 945 N SER A 77 -3.828 8.286 7.685 1.00 0.00 N ATOM 946 CA SER A 77 -2.603 7.495 7.621 1.00 0.00 C ATOM 947 C SER A 77 -1.433 8.246 8.247 1.00 0.00 C ATOM 948 O SER A 77 -0.437 7.641 8.646 1.00 0.00 O ATOM 949 CB SER A 77 -2.280 7.139 6.170 1.00 0.00 C ATOM 950 OG SER A 77 -3.430 7.242 5.349 1.00 0.00 O ATOM 0 H SER A 77 -4.194 8.569 6.776 1.00 0.00 H new ATOM 0 HA SER A 77 -2.763 6.577 8.187 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.501 7.803 5.795 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.885 6.124 6.121 1.00 0.00 H new ATOM 0 HG SER A 77 -3.300 7.957 4.691 1.00 0.00 H new ATOM 954 N LYS A 78 -1.559 9.567 8.331 1.00 0.00 N ATOM 955 CA LYS A 78 -0.512 10.400 8.909 1.00 0.00 C ATOM 956 C LYS A 78 -0.536 10.324 10.431 1.00 0.00 C ATOM 957 O LYS A 78 0.507 10.380 11.084 1.00 0.00 O ATOM 958 CB LYS A 78 -0.678 11.853 8.457 1.00 0.00 C ATOM 959 CG LYS A 78 0.481 12.366 7.619 1.00 0.00 C ATOM 960 CD LYS A 78 0.116 13.648 6.886 1.00 0.00 C ATOM 961 CE LYS A 78 0.173 14.849 7.814 1.00 0.00 C ATOM 962 NZ LYS A 78 -0.259 16.100 7.132 1.00 0.00 N ATOM 0 H LYS A 78 -2.377 10.083 8.006 1.00 0.00 H new ATOM 0 HA LYS A 78 0.450 10.026 8.559 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.599 11.943 7.881 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.789 12.488 9.336 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.343 12.546 8.261 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.774 11.604 6.897 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.799 13.799 6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.886 13.557 6.466 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.464 14.669 8.680 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.190 14.972 8.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.205 16.896 7.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.365 16.286 6.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.238 15.993 6.799 1.00 0.00 H new ATOM 968 N SER A 79 -1.734 10.195 10.992 1.00 0.00 N ATOM 969 CA SER A 79 -1.900 10.112 12.438 1.00 0.00 C ATOM 970 C SER A 79 -1.858 8.661 12.907 1.00 0.00 C ATOM 971 O SER A 79 -1.810 8.387 14.106 1.00 0.00 O ATOM 972 CB SER A 79 -3.219 10.760 12.858 1.00 0.00 C ATOM 973 OG SER A 79 -3.377 10.731 14.266 1.00 0.00 O ATOM 0 H SER A 79 -2.606 10.146 10.465 1.00 0.00 H new ATOM 0 HA SER A 79 -1.075 10.649 12.906 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.249 11.791 12.507 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.051 10.238 12.385 1.00 0.00 H new ATOM 0 HG SER A 79 -2.910 9.951 14.632 1.00 0.00 H new ATOM 977 N ALA A 80 -1.880 7.736 11.953 1.00 0.00 N ATOM 978 CA ALA A 80 -1.847 6.312 12.264 1.00 0.00 C ATOM 979 C ALA A 80 -0.473 5.890 12.775 1.00 0.00 C ATOM 980 O ALA A 80 -0.365 5.144 13.749 1.00 0.00 O ATOM 981 CB ALA A 80 -2.229 5.498 11.038 1.00 0.00 C ATOM 0 H ALA A 80 -1.921 7.948 10.956 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.572 6.122 13.056 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.201 4.436 11.283 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.235 5.770 10.720 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.525 5.703 10.231 1.00 0.00 H new ATOM 1067 N PRO A 88 0.780 -0.102 11.235 1.00 0.00 N ATOM 1068 CA PRO A 88 0.718 1.139 10.464 1.00 0.00 C ATOM 1069 C PRO A 88 -0.182 1.019 9.241 1.00 0.00 C ATOM 1070 O PRO A 88 -1.038 1.869 9.002 1.00 0.00 O ATOM 1071 CB PRO A 88 2.171 1.359 10.044 1.00 0.00 C ATOM 1072 CG PRO A 88 2.757 -0.008 9.962 1.00 0.00 C ATOM 1073 CD PRO A 88 2.028 -0.851 10.978 1.00 0.00 C ATOM 0 HA PRO A 88 0.296 1.961 11.042 1.00 0.00 H new ATOM 0 HB2 PRO A 88 2.232 1.873 9.085 1.00 0.00 H new ATOM 0 HB3 PRO A 88 2.703 1.974 10.769 1.00 0.00 H new ATOM 0 HG2 PRO A 88 2.639 -0.421 8.960 1.00 0.00 H new ATOM 0 HG3 PRO A 88 3.826 0.015 10.173 1.00 0.00 H new ATOM 0 HD2 PRO A 88 1.822 -1.850 10.594 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.614 -0.974 11.889 1.00 0.00 H new ATOM 1075 N PHE A 89 0.021 -0.043 8.468 1.00 0.00 N ATOM 1076 CA PHE A 89 -0.771 -0.278 7.269 1.00 0.00 C ATOM 1077 C PHE A 89 -2.222 -0.582 7.624 1.00 0.00 C ATOM 1078 O PHE A 89 -2.512 -1.562 8.312 1.00 0.00 O ATOM 1079 CB PHE A 89 -0.179 -1.434 6.461 1.00 0.00 C ATOM 1080 CG PHE A 89 -0.698 -1.511 5.054 1.00 0.00 C ATOM 1081 CD1 PHE A 89 -1.881 -2.176 4.775 1.00 0.00 C ATOM 1082 CD2 PHE A 89 -0.004 -0.918 4.012 1.00 0.00 C ATOM 1083 CE1 PHE A 89 -2.362 -2.248 3.483 1.00 0.00 C ATOM 1084 CE2 PHE A 89 -0.480 -0.988 2.717 1.00 0.00 C ATOM 1085 CZ PHE A 89 -1.661 -1.654 2.451 1.00 0.00 C ATOM 0 H PHE A 89 0.728 -0.754 8.652 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.747 0.629 6.665 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.906 -1.330 6.434 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.396 -2.372 6.972 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.433 -2.643 5.577 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.919 -0.395 4.214 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.286 -2.769 3.279 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.071 -0.522 1.913 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.035 -1.710 1.439 1.00 0.00 H new ATOM 1093 N LEU A 90 -3.131 0.263 7.148 1.00 0.00 N ATOM 1094 CA LEU A 90 -4.553 0.085 7.413 1.00 0.00 C ATOM 1095 C LEU A 90 -5.259 -0.517 6.204 1.00 0.00 C ATOM 1096 O LEU A 90 -5.046 -0.086 5.071 1.00 0.00 O ATOM 1097 CB LEU A 90 -5.198 1.423 7.780 1.00 0.00 C ATOM 1098 CG LEU A 90 -4.644 2.089 9.040 1.00 0.00 C ATOM 1099 CD1 LEU A 90 -5.143 3.521 9.150 1.00 0.00 C ATOM 1100 CD2 LEU A 90 -5.027 1.292 10.279 1.00 0.00 C ATOM 0 H LEU A 90 -2.907 1.078 6.577 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.657 -0.602 8.253 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.076 2.109 6.942 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.269 1.268 7.911 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.557 2.109 8.968 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.739 3.979 10.053 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.817 4.088 8.278 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.232 3.524 9.198 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.624 1.782 11.166 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.113 1.239 10.356 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.619 0.284 10.204 1.00 0.00 H new ATOM 1110 N ASP A 91 -6.103 -1.515 6.454 1.00 0.00 N ATOM 1111 CA ASP A 91 -6.846 -2.175 5.386 1.00 0.00 C ATOM 1112 C ASP A 91 -8.154 -1.441 5.106 1.00 0.00 C ATOM 1113 O ASP A 91 -9.163 -2.055 4.760 1.00 0.00 O ATOM 1114 CB ASP A 91 -7.135 -3.629 5.761 1.00 0.00 C ATOM 1115 CG ASP A 91 -7.917 -3.747 7.055 1.00 0.00 C ATOM 1116 OD1 ASP A 91 -7.283 -3.793 8.130 1.00 0.00 O ATOM 1117 OD2 ASP A 91 -9.164 -3.793 6.992 1.00 0.00 O ATOM 0 H ASP A 91 -6.289 -1.884 7.387 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.235 -2.155 4.483 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -7.695 -4.105 4.956 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -6.194 -4.171 5.857 1.00 0.00 H new ATOM 1120 N ASN A 92 -8.126 -0.120 5.263 1.00 0.00 N ATOM 1121 CA ASN A 92 -9.304 0.707 5.032 1.00 0.00 C ATOM 1122 C ASN A 92 -9.181 1.471 3.715 1.00 0.00 C ATOM 1123 O ASN A 92 -8.097 1.935 3.359 1.00 0.00 O ATOM 1124 CB ASN A 92 -9.494 1.691 6.187 1.00 0.00 C ATOM 1125 CG ASN A 92 -10.952 2.028 6.429 1.00 0.00 C ATOM 1126 OD1 ASN A 92 -11.247 3.317 6.562 1.00 0.00 O flip ATOM 1127 ND2 ASN A 92 -11.803 1.142 6.495 1.00 0.00 N flip ATOM 0 H ASN A 92 -7.297 0.401 5.550 1.00 0.00 H new ATOM 0 HA ASN A 92 -10.173 0.052 4.973 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -9.067 1.266 7.096 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -8.943 2.607 5.974 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -11.531 0.165 6.387 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -12.780 1.385 6.658 1.00 0.00 H new ATOM 1132 N PRO A 93 -10.293 1.619 2.971 1.00 0.00 N ATOM 1133 CA PRO A 93 -10.294 2.335 1.695 1.00 0.00 C ATOM 1134 C PRO A 93 -10.235 3.848 1.883 1.00 0.00 C ATOM 1135 O PRO A 93 -10.258 4.605 0.912 1.00 0.00 O ATOM 1136 CB PRO A 93 -11.620 1.923 1.059 1.00 0.00 C ATOM 1137 CG PRO A 93 -12.516 1.600 2.202 1.00 0.00 C ATOM 1138 CD PRO A 93 -11.633 1.103 3.315 1.00 0.00 C ATOM 0 HA PRO A 93 -9.423 2.091 1.087 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.032 2.728 0.451 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -11.492 1.062 0.403 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -13.076 2.481 2.516 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -13.246 0.842 1.919 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -11.966 1.474 4.284 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -11.638 0.014 3.372 1.00 0.00 H new ATOM 1140 N ASP A 94 -10.152 4.282 3.138 1.00 0.00 N ATOM 1141 CA ASP A 94 -10.084 5.704 3.455 1.00 0.00 C ATOM 1142 C ASP A 94 -8.639 6.189 3.449 1.00 0.00 C ATOM 1143 O ASP A 94 -8.296 7.144 2.750 1.00 0.00 O ATOM 1144 CB ASP A 94 -10.724 5.977 4.817 1.00 0.00 C ATOM 1145 CG ASP A 94 -12.236 6.053 4.742 1.00 0.00 C ATOM 1146 OD1 ASP A 94 -12.823 5.375 3.871 1.00 0.00 O ATOM 1147 OD2 ASP A 94 -12.836 6.787 5.556 1.00 0.00 O ATOM 0 H ASP A 94 -10.130 3.668 3.952 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.636 6.251 2.690 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.437 5.190 5.514 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -10.336 6.914 5.216 1.00 0.00 H new ATOM 1150 N ALA A 95 -7.794 5.523 4.231 1.00 0.00 N ATOM 1151 CA ALA A 95 -6.383 5.881 4.313 1.00 0.00 C ATOM 1152 C ALA A 95 -5.695 5.672 2.970 1.00 0.00 C ATOM 1153 O ALA A 95 -5.871 4.636 2.329 1.00 0.00 O ATOM 1154 CB ALA A 95 -5.693 5.066 5.398 1.00 0.00 C ATOM 0 H ALA A 95 -8.063 4.732 4.817 1.00 0.00 H new ATOM 0 HA ALA A 95 -6.311 6.937 4.572 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.640 5.344 5.448 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -6.167 5.265 6.359 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.777 4.005 5.165 1.00 0.00 H new ATOM 1160 N PHE A 96 -4.917 6.661 2.545 1.00 0.00 N ATOM 1161 CA PHE A 96 -4.211 6.577 1.271 1.00 0.00 C ATOM 1162 C PHE A 96 -2.805 6.019 1.454 1.00 0.00 C ATOM 1163 O PHE A 96 -2.185 6.198 2.501 1.00 0.00 O ATOM 1164 CB PHE A 96 -4.131 7.955 0.617 1.00 0.00 C ATOM 1165 CG PHE A 96 -5.350 8.338 -0.172 1.00 0.00 C ATOM 1166 CD1 PHE A 96 -5.901 7.464 -1.095 1.00 0.00 C ATOM 1167 CD2 PHE A 96 -5.939 9.580 0.008 1.00 0.00 C ATOM 1168 CE1 PHE A 96 -7.017 7.823 -1.826 1.00 0.00 C ATOM 1169 CE2 PHE A 96 -7.053 9.944 -0.721 1.00 0.00 C ATOM 1170 CZ PHE A 96 -7.593 9.063 -1.638 1.00 0.00 C ATOM 0 H PHE A 96 -4.759 7.527 3.061 1.00 0.00 H new ATOM 0 HA PHE A 96 -4.771 5.900 0.626 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -3.965 8.703 1.392 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -3.263 7.981 -0.042 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -5.454 6.492 -1.245 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -5.522 10.270 0.726 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -7.438 7.134 -2.544 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -7.502 10.915 -0.575 1.00 0.00 H new ATOM 0 HZ PHE A 96 -8.466 9.345 -2.208 1.00 0.00 H new ATOM 1178 N TYR A 97 -2.308 5.353 0.417 1.00 0.00 N ATOM 1179 CA TYR A 97 -0.971 4.769 0.434 1.00 0.00 C ATOM 1180 C TYR A 97 -0.392 4.739 -0.977 1.00 0.00 C ATOM 1181 O TYR A 97 -0.716 3.851 -1.763 1.00 0.00 O ATOM 1182 CB TYR A 97 -1.010 3.348 1.006 1.00 0.00 C ATOM 1183 CG TYR A 97 -1.335 3.288 2.481 1.00 0.00 C ATOM 1184 CD1 TYR A 97 -0.453 3.790 3.430 1.00 0.00 C ATOM 1185 CD2 TYR A 97 -2.525 2.725 2.925 1.00 0.00 C ATOM 1186 CE1 TYR A 97 -0.749 3.734 4.779 1.00 0.00 C ATOM 1187 CE2 TYR A 97 -2.830 2.666 4.271 1.00 0.00 C ATOM 1188 CZ TYR A 97 -1.938 3.171 5.194 1.00 0.00 C ATOM 1189 OH TYR A 97 -2.236 3.114 6.536 1.00 0.00 O ATOM 0 H TYR A 97 -2.817 5.203 -0.454 1.00 0.00 H new ATOM 0 HA TYR A 97 -0.336 5.386 1.070 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.751 2.767 0.457 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.044 2.873 0.838 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.479 4.231 3.108 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -3.224 2.326 2.205 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.053 4.129 5.504 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -3.761 2.227 4.599 1.00 0.00 H new ATOM 0 HH TYR A 97 -1.539 2.609 7.005 1.00 0.00 H new ATOM 1197 N TYR A 98 0.455 5.714 -1.301 1.00 0.00 N ATOM 1198 CA TYR A 98 1.057 5.781 -2.629 1.00 0.00 C ATOM 1199 C TYR A 98 2.502 5.292 -2.609 1.00 0.00 C ATOM 1200 O TYR A 98 2.988 4.807 -1.586 1.00 0.00 O ATOM 1201 CB TYR A 98 0.982 7.207 -3.186 1.00 0.00 C ATOM 1202 CG TYR A 98 1.767 8.232 -2.398 1.00 0.00 C ATOM 1203 CD1 TYR A 98 1.207 8.875 -1.301 1.00 0.00 C ATOM 1204 CD2 TYR A 98 3.066 8.567 -2.761 1.00 0.00 C ATOM 1205 CE1 TYR A 98 1.919 9.821 -0.588 1.00 0.00 C ATOM 1206 CE2 TYR A 98 3.784 9.512 -2.053 1.00 0.00 C ATOM 1207 CZ TYR A 98 3.206 10.135 -0.967 1.00 0.00 C ATOM 1208 OH TYR A 98 3.919 11.078 -0.261 1.00 0.00 O ATOM 0 H TYR A 98 0.738 6.462 -0.668 1.00 0.00 H new ATOM 0 HA TYR A 98 0.488 5.121 -3.284 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.346 7.201 -4.214 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -0.063 7.516 -3.219 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.199 8.632 -1.000 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.522 8.081 -3.611 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.469 10.312 0.262 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.792 9.761 -2.349 1.00 0.00 H new ATOM 0 HH TYR A 98 4.809 11.180 -0.658 1.00 0.00 H new ATOM 1216 N PHE A 99 3.186 5.413 -3.747 1.00 0.00 N ATOM 1217 CA PHE A 99 4.574 4.970 -3.847 1.00 0.00 C ATOM 1218 C PHE A 99 5.526 6.163 -3.905 1.00 0.00 C ATOM 1219 O PHE A 99 5.239 7.161 -4.568 1.00 0.00 O ATOM 1220 CB PHE A 99 4.770 4.094 -5.090 1.00 0.00 C ATOM 1221 CG PHE A 99 4.426 2.640 -4.884 1.00 0.00 C ATOM 1222 CD1 PHE A 99 4.754 1.987 -3.705 1.00 0.00 C ATOM 1223 CD2 PHE A 99 3.778 1.928 -5.880 1.00 0.00 C ATOM 1224 CE1 PHE A 99 4.439 0.653 -3.525 1.00 0.00 C ATOM 1225 CE2 PHE A 99 3.461 0.593 -5.705 1.00 0.00 C ATOM 1226 CZ PHE A 99 3.791 -0.045 -4.527 1.00 0.00 C ATOM 0 H PHE A 99 2.804 5.811 -4.605 1.00 0.00 H new ATOM 0 HA PHE A 99 4.802 4.384 -2.956 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.156 4.489 -5.899 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.809 4.168 -5.412 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.261 2.527 -2.919 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.517 2.421 -6.805 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.699 0.156 -2.602 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.955 0.050 -6.490 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.544 -1.087 -4.388 1.00 0.00 H new