USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 935 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 101 SER OG : rot -96:sc= 1.27 USER MOD Set 1.2: A 104 SER OG : rot 144:sc= 0.815 USER MOD Set 1.3: A 116 SER OG : rot 180:sc= -0.152 USER MOD Set 1.4: A 117 HIS :FLIP no HD1:sc= -0.738 F(o=0.096,f=1.2) USER MOD Set 2.1: A 28 THR OG1 : rot -2:sc= 0.906 USER MOD Set 2.2: A 47 THR OG1 : rot -81:sc= 0.448 USER MOD Set 3.1: A 17 THR OG1 : rot 38:sc= 0.395 USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ASN :FLIP amide:sc= -7.62! C(o=-10!,f=-7.6!) USER MOD Single : A 1 ASN N :NH3+ 136:sc= 0.049 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -162:sc= -0.107 (180deg=-0.512) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0602 USER MOD Single : A 27 THR OG1 : rot 130:sc= -0.0378 USER MOD Single : A 30 LYS NZ :NH3+ -166:sc= -0.0319 (180deg=-0.295) USER MOD Single : A 31 TYR OH : rot 30:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.684! USER MOD Single : A 37 TYR OH : rot 44:sc= -0.0145 USER MOD Single : A 40 SER OG : rot -20:sc= 0.349 USER MOD Single : A 41 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-6.6!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00221 USER MOD Single : A 44 GLN : amide:sc= -0.105 K(o=-0.11,f=-5.7!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -9.75! C(o=-9.8!,f=-13!) USER MOD Single : A 50 SER OG : rot -58:sc= 0.286 USER MOD Single : A 56 TYR OH : rot -70:sc= -0.821 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -144:sc= -1.61! (180deg=-3!) USER MOD Single : A 67 HIS : no HD1:sc= 0.516 K(o=0.52,f=-3.6!) USER MOD Single : A 73 ASN :FLIP amide:sc= -0.689 F(o=-1.9,f=-0.69) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.25) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 59:sc= 0.18 USER MOD Single : A 86 SER OG : rot 96:sc= 0.788 USER MOD Single : A 87 GLN :FLIP amide:sc= -2.44 F(o=-8!,f=-2.4) USER MOD Single : A 91 SER OG : rot 38:sc= -2.55! USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 121 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 1 32.114 -1.394 -2.656 1.00 0.00 N ATOM 21 CA ASN A 1 30.809 -0.743 -2.615 1.00 0.00 C ATOM 22 C ASN A 1 29.773 -1.526 -3.414 1.00 0.00 C ATOM 23 O ASN A 1 30.116 -2.287 -4.321 1.00 0.00 O ATOM 24 CB ASN A 1 30.915 0.687 -3.144 1.00 0.00 C ATOM 25 CG ASN A 1 31.211 1.682 -2.042 1.00 0.00 C ATOM 26 OD1 ASN A 1 30.638 1.442 -0.867 1.00 0.00 O flip ATOM 27 ND2 ASN A 1 31.935 2.656 -2.243 1.00 0.00 N flip ATOM 0 H1 ASN A 1 32.853 -0.680 -2.819 1.00 0.00 H new ATOM 0 H2 ASN A 1 32.291 -1.875 -1.751 1.00 0.00 H new ATOM 0 H3 ASN A 1 32.130 -2.091 -3.428 1.00 0.00 H new ATOM 0 HA ASN A 1 30.480 -0.715 -1.576 1.00 0.00 H new ATOM 0 HB2 ASN A 1 31.701 0.737 -3.897 1.00 0.00 H new ATOM 0 HB3 ASN A 1 29.982 0.960 -3.638 1.00 0.00 H new ATOM 0 HD21 ASN A 1 32.353 2.799 -3.162 1.00 0.00 H new ATOM 0 HD22 ASN A 1 32.117 3.320 -1.491 1.00 0.00 H new ATOM 34 N CYS A 2 28.501 -1.331 -3.073 1.00 0.00 N ATOM 35 CA CYS A 2 27.412 -2.026 -3.749 1.00 0.00 C ATOM 36 C CYS A 2 26.917 -1.257 -4.967 1.00 0.00 C ATOM 37 O CYS A 2 26.071 -1.748 -5.713 1.00 0.00 O ATOM 38 CB CYS A 2 26.253 -2.263 -2.782 1.00 0.00 C ATOM 39 SG CYS A 2 26.605 -3.501 -1.495 1.00 0.00 S ATOM 0 H CYS A 2 28.201 -0.697 -2.332 1.00 0.00 H new ATOM 0 HA CYS A 2 27.802 -2.984 -4.093 1.00 0.00 H new ATOM 0 HB2 CYS A 2 25.994 -1.319 -2.303 1.00 0.00 H new ATOM 0 HB3 CYS A 2 25.379 -2.582 -3.350 1.00 0.00 H new ATOM 44 N GLY A 3 27.441 -0.054 -5.174 1.00 0.00 N ATOM 45 CA GLY A 3 27.025 0.755 -6.302 1.00 0.00 C ATOM 46 C GLY A 3 25.919 1.725 -5.924 1.00 0.00 C ATOM 47 O GLY A 3 25.199 1.489 -4.955 1.00 0.00 O ATOM 0 H GLY A 3 28.149 0.376 -4.578 1.00 0.00 H new ATOM 0 HA2 GLY A 3 27.881 1.311 -6.686 1.00 0.00 H new ATOM 0 HA3 GLY A 3 26.680 0.106 -7.107 1.00 0.00 H new ATOM 51 N PRO A 4 25.766 2.833 -6.671 1.00 0.00 N ATOM 52 CA PRO A 4 24.732 3.836 -6.394 1.00 0.00 C ATOM 53 C PRO A 4 23.366 3.211 -6.123 1.00 0.00 C ATOM 54 O PRO A 4 22.918 2.332 -6.859 1.00 0.00 O ATOM 55 CB PRO A 4 24.709 4.668 -7.675 1.00 0.00 C ATOM 56 CG PRO A 4 26.106 4.584 -8.186 1.00 0.00 C ATOM 57 CD PRO A 4 26.586 3.199 -7.843 1.00 0.00 C ATOM 0 HA PRO A 4 24.949 4.415 -5.496 1.00 0.00 H new ATOM 0 HB2 PRO A 4 23.996 4.270 -8.397 1.00 0.00 H new ATOM 0 HB3 PRO A 4 24.418 5.699 -7.476 1.00 0.00 H new ATOM 0 HG2 PRO A 4 26.140 4.754 -9.262 1.00 0.00 H new ATOM 0 HG3 PRO A 4 26.738 5.342 -7.724 1.00 0.00 H new ATOM 0 HD2 PRO A 4 26.436 2.505 -8.670 1.00 0.00 H new ATOM 0 HD3 PRO A 4 27.650 3.189 -7.608 1.00 0.00 H new ATOM 65 N PRO A 5 22.689 3.667 -5.055 1.00 0.00 N ATOM 66 CA PRO A 5 21.371 3.150 -4.666 1.00 0.00 C ATOM 67 C PRO A 5 20.337 3.262 -5.784 1.00 0.00 C ATOM 68 O PRO A 5 19.929 4.364 -6.154 1.00 0.00 O ATOM 69 CB PRO A 5 20.971 4.035 -3.480 1.00 0.00 C ATOM 70 CG PRO A 5 22.255 4.568 -2.951 1.00 0.00 C ATOM 71 CD PRO A 5 23.154 4.725 -4.142 1.00 0.00 C ATOM 0 HA PRO A 5 21.414 2.087 -4.429 1.00 0.00 H new ATOM 0 HB2 PRO A 5 20.308 4.841 -3.794 1.00 0.00 H new ATOM 0 HB3 PRO A 5 20.438 3.462 -2.721 1.00 0.00 H new ATOM 0 HG2 PRO A 5 22.104 5.522 -2.447 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.690 3.886 -2.220 1.00 0.00 H new ATOM 0 HD2 PRO A 5 23.060 5.714 -4.590 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.203 4.595 -3.875 1.00 0.00 H new ATOM 79 N PRO A 6 19.905 2.114 -6.341 1.00 0.00 N ATOM 80 CA PRO A 6 18.903 2.078 -7.411 1.00 0.00 C ATOM 81 C PRO A 6 17.607 2.754 -6.992 1.00 0.00 C ATOM 82 O PRO A 6 17.480 3.310 -5.902 1.00 0.00 O ATOM 83 CB PRO A 6 18.654 0.579 -7.636 1.00 0.00 C ATOM 84 CG PRO A 6 19.250 -0.112 -6.457 1.00 0.00 C ATOM 85 CD PRO A 6 20.363 0.768 -5.974 1.00 0.00 C ATOM 0 HA PRO A 6 19.246 2.604 -8.302 1.00 0.00 H new ATOM 0 HB2 PRO A 6 17.588 0.367 -7.716 1.00 0.00 H new ATOM 0 HB3 PRO A 6 19.117 0.240 -8.563 1.00 0.00 H new ATOM 0 HG2 PRO A 6 18.505 -0.261 -5.676 1.00 0.00 H new ATOM 0 HG3 PRO A 6 19.625 -1.098 -6.732 1.00 0.00 H new ATOM 0 HD2 PRO A 6 20.515 0.673 -4.899 1.00 0.00 H new ATOM 0 HD3 PRO A 6 21.310 0.520 -6.453 1.00 0.00 H new ATOM 93 N THR A 7 16.649 2.677 -7.909 1.00 0.00 N ATOM 94 CA THR A 7 15.331 3.251 -7.703 1.00 0.00 C ATOM 95 C THR A 7 14.366 2.167 -7.246 1.00 0.00 C ATOM 96 O THR A 7 14.295 1.097 -7.853 1.00 0.00 O ATOM 97 CB THR A 7 14.789 3.908 -8.988 1.00 0.00 C ATOM 98 OG1 THR A 7 15.681 4.942 -9.422 1.00 0.00 O ATOM 99 CG2 THR A 7 13.404 4.495 -8.754 1.00 0.00 C ATOM 0 H THR A 7 16.767 2.216 -8.811 1.00 0.00 H new ATOM 0 HA THR A 7 15.420 4.023 -6.938 1.00 0.00 H new ATOM 0 HB THR A 7 14.717 3.141 -9.759 1.00 0.00 H new ATOM 0 HG1 THR A 7 15.331 5.354 -10.240 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.043 4.953 -9.675 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.720 3.703 -8.450 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.457 5.250 -7.970 1.00 0.00 H new ATOM 107 N LEU A 8 13.628 2.437 -6.182 1.00 0.00 N ATOM 108 CA LEU A 8 12.669 1.477 -5.666 1.00 0.00 C ATOM 109 C LEU A 8 11.240 1.936 -5.913 1.00 0.00 C ATOM 110 O LEU A 8 10.776 2.901 -5.305 1.00 0.00 O ATOM 111 CB LEU A 8 12.894 1.265 -4.173 1.00 0.00 C ATOM 112 CG LEU A 8 14.281 0.741 -3.805 1.00 0.00 C ATOM 113 CD1 LEU A 8 15.298 1.871 -3.774 1.00 0.00 C ATOM 114 CD2 LEU A 8 14.230 0.027 -2.463 1.00 0.00 C ATOM 0 H LEU A 8 13.675 3.312 -5.660 1.00 0.00 H new ATOM 0 HA LEU A 8 12.819 0.535 -6.193 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.729 2.211 -3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.146 0.564 -3.802 1.00 0.00 H new ATOM 0 HG LEU A 8 14.596 0.030 -4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.277 1.472 -3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.351 2.340 -4.756 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.996 2.612 -3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.224 -0.343 -2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.894 0.722 -1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.535 -0.811 -2.523 1.00 0.00 H new ATOM 126 N SER A 9 10.546 1.243 -6.808 1.00 0.00 N ATOM 127 CA SER A 9 9.163 1.573 -7.115 1.00 0.00 C ATOM 128 C SER A 9 8.246 0.994 -6.050 1.00 0.00 C ATOM 129 O SER A 9 7.023 1.037 -6.176 1.00 0.00 O ATOM 130 CB SER A 9 8.774 1.041 -8.496 1.00 0.00 C ATOM 131 OG SER A 9 8.917 -0.368 -8.560 1.00 0.00 O ATOM 0 H SER A 9 10.919 0.451 -7.332 1.00 0.00 H new ATOM 0 HA SER A 9 9.057 2.658 -7.125 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.742 1.315 -8.717 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.398 1.508 -9.258 1.00 0.00 H new ATOM 0 HG SER A 9 8.661 -0.683 -9.452 1.00 0.00 H new ATOM 137 N PHE A 10 8.857 0.435 -5.010 1.00 0.00 N ATOM 138 CA PHE A 10 8.115 -0.137 -3.897 1.00 0.00 C ATOM 139 C PHE A 10 8.575 0.504 -2.591 1.00 0.00 C ATOM 140 O PHE A 10 8.699 -0.160 -1.562 1.00 0.00 O ATOM 141 CB PHE A 10 8.278 -1.659 -3.844 1.00 0.00 C ATOM 142 CG PHE A 10 9.699 -2.126 -3.697 1.00 0.00 C ATOM 143 CD1 PHE A 10 10.599 -1.999 -4.743 1.00 0.00 C ATOM 144 CD2 PHE A 10 10.127 -2.699 -2.513 1.00 0.00 C ATOM 145 CE1 PHE A 10 11.902 -2.436 -4.609 1.00 0.00 C ATOM 146 CE2 PHE A 10 11.431 -3.137 -2.372 1.00 0.00 C ATOM 147 CZ PHE A 10 12.318 -3.006 -3.422 1.00 0.00 C ATOM 0 H PHE A 10 9.870 0.367 -4.917 1.00 0.00 H new ATOM 0 HA PHE A 10 7.055 0.071 -4.042 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.693 -2.046 -3.010 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.859 -2.089 -4.754 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.278 -1.553 -5.673 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.436 -2.805 -1.690 1.00 0.00 H new ATOM 0 HE1 PHE A 10 12.595 -2.332 -5.431 1.00 0.00 H new ATOM 0 HE2 PHE A 10 11.755 -3.581 -1.442 1.00 0.00 H new ATOM 0 HZ PHE A 10 13.336 -3.349 -3.315 1.00 0.00 H new ATOM 157 N ALA A 11 8.789 1.819 -2.660 1.00 0.00 N ATOM 158 CA ALA A 11 9.236 2.629 -1.529 1.00 0.00 C ATOM 159 C ALA A 11 9.745 3.969 -2.047 1.00 0.00 C ATOM 160 O ALA A 11 9.562 4.323 -3.212 1.00 0.00 O ATOM 161 CB ALA A 11 10.312 1.921 -0.716 1.00 0.00 C ATOM 0 H ALA A 11 8.654 2.357 -3.516 1.00 0.00 H new ATOM 0 HA ALA A 11 8.390 2.790 -0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.617 2.557 0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.917 0.982 -0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.173 1.717 -1.352 1.00 0.00 H new ATOM 167 N ALA A 12 10.386 4.703 -1.142 1.00 0.00 N ATOM 168 CA ALA A 12 10.909 6.021 -1.477 1.00 0.00 C ATOM 169 C ALA A 12 12.014 6.438 -0.506 1.00 0.00 C ATOM 170 O ALA A 12 11.903 6.225 0.701 1.00 0.00 O ATOM 171 CB ALA A 12 9.793 7.053 -1.491 1.00 0.00 C ATOM 0 H ALA A 12 10.554 4.410 -0.180 1.00 0.00 H new ATOM 0 HA ALA A 12 11.341 5.966 -2.476 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.204 8.030 -1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.046 6.771 -2.233 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.327 7.099 -0.507 1.00 0.00 H new ATOM 177 N PRO A 13 13.099 7.043 -1.028 1.00 0.00 N ATOM 178 CA PRO A 13 14.233 7.491 -0.209 1.00 0.00 C ATOM 179 C PRO A 13 13.842 8.587 0.775 1.00 0.00 C ATOM 180 O PRO A 13 12.982 9.417 0.482 1.00 0.00 O ATOM 181 CB PRO A 13 15.238 8.033 -1.235 1.00 0.00 C ATOM 182 CG PRO A 13 14.794 7.489 -2.551 1.00 0.00 C ATOM 183 CD PRO A 13 13.304 7.339 -2.453 1.00 0.00 C ATOM 0 HA PRO A 13 14.628 6.681 0.404 1.00 0.00 H new ATOM 0 HB2 PRO A 13 15.243 9.123 -1.242 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.252 7.711 -0.999 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.066 8.162 -3.364 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.270 6.531 -2.758 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.785 8.249 -2.756 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.936 6.535 -3.090 1.00 0.00 H new ATOM 191 N MET A 14 14.490 8.591 1.940 1.00 0.00 N ATOM 192 CA MET A 14 14.204 9.587 2.970 1.00 0.00 C ATOM 193 C MET A 14 15.380 9.763 3.925 1.00 0.00 C ATOM 194 O MET A 14 15.357 10.626 4.802 1.00 0.00 O ATOM 195 CB MET A 14 12.967 9.178 3.765 1.00 0.00 C ATOM 196 CG MET A 14 11.657 9.508 3.069 1.00 0.00 C ATOM 197 SD MET A 14 11.468 11.272 2.746 1.00 0.00 S ATOM 198 CE MET A 14 11.478 11.927 4.413 1.00 0.00 C ATOM 0 H MET A 14 15.214 7.918 2.193 1.00 0.00 H new ATOM 0 HA MET A 14 14.026 10.537 2.466 1.00 0.00 H new ATOM 0 HB2 MET A 14 13.007 8.106 3.956 1.00 0.00 H new ATOM 0 HB3 MET A 14 12.988 9.675 4.735 1.00 0.00 H new ATOM 0 HG2 MET A 14 11.603 8.962 2.127 1.00 0.00 H new ATOM 0 HG3 MET A 14 10.826 9.164 3.685 1.00 0.00 H new ATOM 0 HE1 MET A 14 11.059 12.933 4.411 1.00 0.00 H new ATOM 0 HE2 MET A 14 10.879 11.286 5.060 1.00 0.00 H new ATOM 0 HE3 MET A 14 12.502 11.961 4.784 1.00 0.00 H new ATOM 208 N ASP A 15 16.405 8.941 3.745 1.00 0.00 N ATOM 209 CA ASP A 15 17.595 9.006 4.585 1.00 0.00 C ATOM 210 C ASP A 15 18.832 8.622 3.784 1.00 0.00 C ATOM 211 O ASP A 15 19.267 7.470 3.803 1.00 0.00 O ATOM 212 CB ASP A 15 17.447 8.089 5.799 1.00 0.00 C ATOM 213 CG ASP A 15 18.615 8.205 6.759 1.00 0.00 C ATOM 214 OD1 ASP A 15 19.603 7.460 6.584 1.00 0.00 O ATOM 215 OD2 ASP A 15 18.541 9.039 7.686 1.00 0.00 O ATOM 0 H ASP A 15 16.437 8.220 3.024 1.00 0.00 H new ATOM 0 HA ASP A 15 17.710 10.031 4.937 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.523 8.333 6.324 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.359 7.056 5.462 1.00 0.00 H new ATOM 220 N ILE A 16 19.385 9.598 3.074 1.00 0.00 N ATOM 221 CA ILE A 16 20.558 9.384 2.254 1.00 0.00 C ATOM 222 C ILE A 16 21.094 10.698 1.712 1.00 0.00 C ATOM 223 O ILE A 16 20.557 11.246 0.751 1.00 0.00 O ATOM 224 CB ILE A 16 20.246 8.452 1.071 1.00 0.00 C ATOM 225 CG1 ILE A 16 21.334 8.557 -0.002 1.00 0.00 C ATOM 226 CG2 ILE A 16 18.879 8.771 0.484 1.00 0.00 C ATOM 227 CD1 ILE A 16 21.079 7.705 -1.228 1.00 0.00 C ATOM 0 H ILE A 16 19.030 10.554 3.054 1.00 0.00 H new ATOM 0 HA ILE A 16 21.311 8.920 2.891 1.00 0.00 H new ATOM 0 HB ILE A 16 20.229 7.426 1.439 1.00 0.00 H new ATOM 0 HG12 ILE A 16 21.426 9.599 -0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 16 22.290 8.268 0.436 1.00 0.00 H new ATOM 0 HG21 ILE A 16 18.677 8.101 -0.352 1.00 0.00 H new ATOM 0 HG22 ILE A 16 18.114 8.638 1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 16 18.865 9.803 0.133 1.00 0.00 H new ATOM 0 HD11 ILE A 16 21.895 7.837 -1.939 1.00 0.00 H new ATOM 0 HD12 ILE A 16 21.017 6.657 -0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 16 20.141 8.008 -1.693 1.00 0.00 H new ATOM 239 N THR A 17 22.130 11.222 2.348 1.00 0.00 N ATOM 240 CA THR A 17 22.741 12.451 1.876 1.00 0.00 C ATOM 241 C THR A 17 23.199 12.253 0.443 1.00 0.00 C ATOM 242 O THR A 17 24.055 11.411 0.170 1.00 0.00 O ATOM 243 CB THR A 17 23.947 12.871 2.733 1.00 0.00 C ATOM 244 OG1 THR A 17 24.866 11.779 2.858 1.00 0.00 O ATOM 245 CG2 THR A 17 23.505 13.331 4.114 1.00 0.00 C ATOM 0 H THR A 17 22.560 10.821 3.181 1.00 0.00 H new ATOM 0 HA THR A 17 21.994 13.242 1.946 1.00 0.00 H new ATOM 0 HB THR A 17 24.440 13.705 2.235 1.00 0.00 H new ATOM 0 HG1 THR A 17 24.907 11.287 2.011 1.00 0.00 H new ATOM 0 HG21 THR A 17 24.379 13.622 4.698 1.00 0.00 H new ATOM 0 HG22 THR A 17 22.834 14.184 4.016 1.00 0.00 H new ATOM 0 HG23 THR A 17 22.985 12.517 4.620 1.00 0.00 H new ATOM 253 N LEU A 18 22.627 13.020 -0.471 1.00 0.00 N ATOM 254 CA LEU A 18 22.965 12.899 -1.874 1.00 0.00 C ATOM 255 C LEU A 18 24.309 13.549 -2.188 1.00 0.00 C ATOM 256 O LEU A 18 24.467 14.210 -3.215 1.00 0.00 O ATOM 257 CB LEU A 18 21.865 13.520 -2.731 1.00 0.00 C ATOM 258 CG LEU A 18 20.771 12.550 -3.181 1.00 0.00 C ATOM 259 CD1 LEU A 18 21.373 11.414 -3.991 1.00 0.00 C ATOM 260 CD2 LEU A 18 20.016 12.003 -1.980 1.00 0.00 C ATOM 0 H LEU A 18 21.927 13.732 -0.263 1.00 0.00 H new ATOM 0 HA LEU A 18 23.050 11.838 -2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 18 21.402 14.331 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 18 22.322 13.965 -3.615 1.00 0.00 H new ATOM 0 HG LEU A 18 20.067 13.092 -3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 18 20.583 10.732 -4.304 1.00 0.00 H new ATOM 0 HD12 LEU A 18 21.872 11.819 -4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 18 22.096 10.875 -3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 18 19.242 11.315 -2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.709 11.475 -1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.556 12.826 -1.434 1.00 0.00 H new ATOM 272 N THR A 19 25.275 13.351 -1.301 1.00 0.00 N ATOM 273 CA THR A 19 26.608 13.908 -1.482 1.00 0.00 C ATOM 274 C THR A 19 27.604 12.806 -1.820 1.00 0.00 C ATOM 275 O THR A 19 28.757 13.075 -2.154 1.00 0.00 O ATOM 276 CB THR A 19 27.081 14.651 -0.220 1.00 0.00 C ATOM 277 OG1 THR A 19 27.326 13.717 0.838 1.00 0.00 O ATOM 278 CG2 THR A 19 26.041 15.667 0.227 1.00 0.00 C ATOM 0 H THR A 19 25.159 12.807 -0.446 1.00 0.00 H new ATOM 0 HA THR A 19 26.556 14.619 -2.306 1.00 0.00 H new ATOM 0 HB THR A 19 28.005 15.177 -0.459 1.00 0.00 H new ATOM 0 HG1 THR A 19 27.628 14.199 1.636 1.00 0.00 H new ATOM 0 HG21 THR A 19 26.395 16.181 1.121 1.00 0.00 H new ATOM 0 HG22 THR A 19 25.877 16.394 -0.569 1.00 0.00 H new ATOM 0 HG23 THR A 19 25.105 15.155 0.450 1.00 0.00 H new ATOM 286 N GLU A 20 27.142 11.563 -1.730 1.00 0.00 N ATOM 287 CA GLU A 20 27.978 10.406 -2.025 1.00 0.00 C ATOM 288 C GLU A 20 27.264 9.452 -2.978 1.00 0.00 C ATOM 289 O GLU A 20 26.102 9.104 -2.767 1.00 0.00 O ATOM 290 CB GLU A 20 28.339 9.671 -0.732 1.00 0.00 C ATOM 291 CG GLU A 20 29.172 10.502 0.232 1.00 0.00 C ATOM 292 CD GLU A 20 30.572 10.767 -0.283 1.00 0.00 C ATOM 293 OE1 GLU A 20 31.470 9.943 -0.011 1.00 0.00 O ATOM 294 OE2 GLU A 20 30.772 11.798 -0.959 1.00 0.00 O ATOM 0 H GLU A 20 26.188 11.331 -1.454 1.00 0.00 H new ATOM 0 HA GLU A 20 28.891 10.759 -2.504 1.00 0.00 H new ATOM 0 HB2 GLU A 20 27.421 9.362 -0.232 1.00 0.00 H new ATOM 0 HB3 GLU A 20 28.887 8.763 -0.982 1.00 0.00 H new ATOM 0 HG2 GLU A 20 28.670 11.452 0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 20 29.233 9.986 1.190 1.00 0.00 H new ATOM 301 N THR A 21 27.963 9.037 -4.029 1.00 0.00 N ATOM 302 CA THR A 21 27.394 8.121 -5.010 1.00 0.00 C ATOM 303 C THR A 21 27.684 6.675 -4.630 1.00 0.00 C ATOM 304 O THR A 21 27.192 5.740 -5.261 1.00 0.00 O ATOM 305 CB THR A 21 27.959 8.385 -6.415 1.00 0.00 C ATOM 306 OG1 THR A 21 28.116 9.793 -6.626 1.00 0.00 O ATOM 307 CG2 THR A 21 27.041 7.811 -7.483 1.00 0.00 C ATOM 0 H THR A 21 28.923 9.320 -4.223 1.00 0.00 H new ATOM 0 HA THR A 21 26.317 8.291 -5.020 1.00 0.00 H new ATOM 0 HB THR A 21 28.930 7.896 -6.488 1.00 0.00 H new ATOM 0 HG1 THR A 21 28.478 9.951 -7.523 1.00 0.00 H new ATOM 0 HG21 THR A 21 27.461 8.010 -8.469 1.00 0.00 H new ATOM 0 HG22 THR A 21 26.945 6.735 -7.340 1.00 0.00 H new ATOM 0 HG23 THR A 21 26.058 8.277 -7.407 1.00 0.00 H new ATOM 315 N ARG A 22 28.489 6.506 -3.588 1.00 0.00 N ATOM 316 CA ARG A 22 28.864 5.183 -3.104 1.00 0.00 C ATOM 317 C ARG A 22 28.513 5.046 -1.627 1.00 0.00 C ATOM 318 O ARG A 22 28.441 6.046 -0.912 1.00 0.00 O ATOM 319 CB ARG A 22 30.357 4.959 -3.301 1.00 0.00 C ATOM 320 CG ARG A 22 30.806 5.068 -4.750 1.00 0.00 C ATOM 321 CD ARG A 22 32.312 4.904 -4.880 1.00 0.00 C ATOM 322 NE ARG A 22 33.040 5.911 -4.114 1.00 0.00 N ATOM 323 CZ ARG A 22 34.344 5.847 -3.862 1.00 0.00 C ATOM 324 NH1 ARG A 22 35.062 4.827 -4.313 1.00 0.00 N ATOM 325 NH2 ARG A 22 34.932 6.804 -3.159 1.00 0.00 N ATOM 0 H ARG A 22 28.898 7.276 -3.058 1.00 0.00 H new ATOM 0 HA ARG A 22 28.313 4.433 -3.672 1.00 0.00 H new ATOM 0 HB2 ARG A 22 30.906 5.687 -2.704 1.00 0.00 H new ATOM 0 HB3 ARG A 22 30.620 3.972 -2.922 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.303 4.307 -5.346 1.00 0.00 H new ATOM 0 HG3 ARG A 22 30.508 6.036 -5.153 1.00 0.00 H new ATOM 0 HD2 ARG A 22 32.599 3.910 -4.537 1.00 0.00 H new ATOM 0 HD3 ARG A 22 32.595 4.973 -5.930 1.00 0.00 H new ATOM 0 HE ARG A 22 32.519 6.709 -3.751 1.00 0.00 H new ATOM 0 HH11 ARG A 22 34.614 4.088 -4.855 1.00 0.00 H new ATOM 0 HH12 ARG A 22 36.062 4.781 -4.118 1.00 0.00 H new ATOM 0 HH21 ARG A 22 34.384 7.591 -2.811 1.00 0.00 H new ATOM 0 HH22 ARG A 22 35.932 6.754 -2.966 1.00 0.00 H new ATOM 339 N PHE A 23 28.297 3.815 -1.163 1.00 0.00 N ATOM 340 CA PHE A 23 27.944 3.564 0.234 1.00 0.00 C ATOM 341 C PHE A 23 28.517 2.219 0.690 1.00 0.00 C ATOM 342 O PHE A 23 28.122 1.166 0.189 1.00 0.00 O ATOM 343 CB PHE A 23 26.418 3.580 0.406 1.00 0.00 C ATOM 344 CG PHE A 23 25.763 4.860 -0.044 1.00 0.00 C ATOM 345 CD1 PHE A 23 25.605 5.132 -1.393 1.00 0.00 C ATOM 346 CD2 PHE A 23 25.319 5.795 0.879 1.00 0.00 C ATOM 347 CE1 PHE A 23 25.021 6.308 -1.815 1.00 0.00 C ATOM 348 CE2 PHE A 23 24.729 6.975 0.461 1.00 0.00 C ATOM 349 CZ PHE A 23 24.581 7.232 -0.887 1.00 0.00 C ATOM 0 H PHE A 23 28.361 2.974 -1.736 1.00 0.00 H new ATOM 0 HA PHE A 23 28.373 4.353 0.852 1.00 0.00 H new ATOM 0 HB2 PHE A 23 25.991 2.749 -0.155 1.00 0.00 H new ATOM 0 HB3 PHE A 23 26.179 3.412 1.456 1.00 0.00 H new ATOM 0 HD1 PHE A 23 25.944 4.413 -2.124 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.435 5.600 1.935 1.00 0.00 H new ATOM 0 HE1 PHE A 23 24.908 6.506 -2.871 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.385 7.694 1.189 1.00 0.00 H new ATOM 0 HZ PHE A 23 24.122 8.153 -1.215 1.00 0.00 H new ATOM 359 N LYS A 24 29.451 2.265 1.644 1.00 0.00 N ATOM 360 CA LYS A 24 30.109 1.055 2.158 1.00 0.00 C ATOM 361 C LYS A 24 29.118 -0.013 2.610 1.00 0.00 C ATOM 362 O LYS A 24 27.910 0.218 2.657 1.00 0.00 O ATOM 363 CB LYS A 24 31.031 1.408 3.325 1.00 0.00 C ATOM 364 CG LYS A 24 30.383 2.309 4.365 1.00 0.00 C ATOM 365 CD LYS A 24 31.350 2.660 5.486 1.00 0.00 C ATOM 366 CE LYS A 24 31.784 1.425 6.260 1.00 0.00 C ATOM 367 NZ LYS A 24 32.714 1.767 7.372 1.00 0.00 N ATOM 0 H LYS A 24 29.771 3.130 2.079 1.00 0.00 H new ATOM 0 HA LYS A 24 30.685 0.642 1.330 1.00 0.00 H new ATOM 0 HB2 LYS A 24 31.359 0.488 3.808 1.00 0.00 H new ATOM 0 HB3 LYS A 24 31.923 1.900 2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.033 3.224 3.887 1.00 0.00 H new ATOM 0 HG3 LYS A 24 29.507 1.812 4.782 1.00 0.00 H new ATOM 0 HD2 LYS A 24 32.227 3.155 5.069 1.00 0.00 H new ATOM 0 HD3 LYS A 24 30.877 3.369 6.166 1.00 0.00 H new ATOM 0 HE2 LYS A 24 30.905 0.921 6.663 1.00 0.00 H new ATOM 0 HE3 LYS A 24 32.270 0.724 5.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 32.987 0.899 7.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 33.564 2.225 6.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 32.241 2.416 8.033 1.00 0.00 H new ATOM 381 N THR A 25 29.658 -1.183 2.960 1.00 0.00 N ATOM 382 CA THR A 25 28.847 -2.305 3.410 1.00 0.00 C ATOM 383 C THR A 25 28.232 -2.032 4.777 1.00 0.00 C ATOM 384 O THR A 25 27.389 -2.794 5.252 1.00 0.00 O ATOM 385 CB THR A 25 29.663 -3.607 3.475 1.00 0.00 C ATOM 386 OG1 THR A 25 31.017 -3.324 3.847 1.00 0.00 O ATOM 387 CG2 THR A 25 29.635 -4.347 2.138 1.00 0.00 C ATOM 0 H THR A 25 30.660 -1.373 2.938 1.00 0.00 H new ATOM 0 HA THR A 25 28.050 -2.425 2.676 1.00 0.00 H new ATOM 0 HB THR A 25 29.208 -4.249 4.229 1.00 0.00 H new ATOM 0 HG1 THR A 25 31.527 -4.160 3.887 1.00 0.00 H new ATOM 0 HG21 THR A 25 30.221 -5.263 2.217 1.00 0.00 H new ATOM 0 HG22 THR A 25 28.605 -4.596 1.881 1.00 0.00 H new ATOM 0 HG23 THR A 25 30.059 -3.711 1.361 1.00 0.00 H new ATOM 395 N GLY A 26 28.657 -0.942 5.403 1.00 0.00 N ATOM 396 CA GLY A 26 28.137 -0.572 6.708 1.00 0.00 C ATOM 397 C GLY A 26 27.156 0.575 6.604 1.00 0.00 C ATOM 398 O GLY A 26 26.919 1.303 7.569 1.00 0.00 O ATOM 0 H GLY A 26 29.358 -0.303 5.028 1.00 0.00 H new ATOM 0 HA2 GLY A 26 27.647 -1.432 7.164 1.00 0.00 H new ATOM 0 HA3 GLY A 26 28.961 -0.290 7.364 1.00 0.00 H new ATOM 402 N THR A 27 26.588 0.720 5.417 1.00 0.00 N ATOM 403 CA THR A 27 25.625 1.777 5.152 1.00 0.00 C ATOM 404 C THR A 27 24.205 1.235 5.213 1.00 0.00 C ATOM 405 O THR A 27 23.980 0.040 5.033 1.00 0.00 O ATOM 406 CB THR A 27 25.855 2.421 3.772 1.00 0.00 C ATOM 407 OG1 THR A 27 25.402 3.781 3.786 1.00 0.00 O ATOM 408 CG2 THR A 27 25.113 1.654 2.684 1.00 0.00 C ATOM 0 H THR A 27 26.779 0.115 4.618 1.00 0.00 H new ATOM 0 HA THR A 27 25.764 2.536 5.921 1.00 0.00 H new ATOM 0 HB THR A 27 26.923 2.390 3.557 1.00 0.00 H new ATOM 0 HG1 THR A 27 26.104 4.363 3.429 1.00 0.00 H new ATOM 0 HG21 THR A 27 25.291 2.128 1.719 1.00 0.00 H new ATOM 0 HG22 THR A 27 25.472 0.625 2.655 1.00 0.00 H new ATOM 0 HG23 THR A 27 24.044 1.659 2.899 1.00 0.00 H new ATOM 416 N THR A 28 23.254 2.117 5.468 1.00 0.00 N ATOM 417 CA THR A 28 21.857 1.723 5.539 1.00 0.00 C ATOM 418 C THR A 28 20.952 2.920 5.291 1.00 0.00 C ATOM 419 O THR A 28 21.035 3.929 5.993 1.00 0.00 O ATOM 420 CB THR A 28 21.506 1.090 6.900 1.00 0.00 C ATOM 421 OG1 THR A 28 22.282 -0.095 7.109 1.00 0.00 O ATOM 422 CG2 THR A 28 20.025 0.748 6.975 1.00 0.00 C ATOM 0 H THR A 28 23.423 3.110 5.629 1.00 0.00 H new ATOM 0 HA THR A 28 21.697 0.974 4.763 1.00 0.00 H new ATOM 0 HB THR A 28 21.736 1.817 7.679 1.00 0.00 H new ATOM 0 HG1 THR A 28 22.846 -0.259 6.325 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.803 0.303 7.945 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.435 1.656 6.849 1.00 0.00 H new ATOM 0 HG23 THR A 28 19.775 0.040 6.185 1.00 0.00 H new ATOM 430 N LEU A 29 20.089 2.805 4.290 1.00 0.00 N ATOM 431 CA LEU A 29 19.192 3.896 3.947 1.00 0.00 C ATOM 432 C LEU A 29 17.782 3.630 4.449 1.00 0.00 C ATOM 433 O LEU A 29 17.183 2.605 4.125 1.00 0.00 O ATOM 434 CB LEU A 29 19.144 4.124 2.434 1.00 0.00 C ATOM 435 CG LEU A 29 20.497 4.147 1.722 1.00 0.00 C ATOM 436 CD1 LEU A 29 21.009 2.732 1.521 1.00 0.00 C ATOM 437 CD2 LEU A 29 20.378 4.858 0.385 1.00 0.00 C ATOM 0 H LEU A 29 19.993 1.974 3.707 1.00 0.00 H new ATOM 0 HA LEU A 29 19.585 4.789 4.432 1.00 0.00 H new ATOM 0 HB2 LEU A 29 18.532 3.341 1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 29 18.638 5.071 2.244 1.00 0.00 H new ATOM 0 HG LEU A 29 21.208 4.691 2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 29 21.973 2.763 1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 29 21.125 2.246 2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 29 20.298 2.170 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 29 21.349 4.867 -0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 29 19.655 4.335 -0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 29 20.044 5.883 0.546 1.00 0.00 H new ATOM 449 N LYS A 30 17.255 4.554 5.242 1.00 0.00 N ATOM 450 CA LYS A 30 15.908 4.421 5.758 1.00 0.00 C ATOM 451 C LYS A 30 14.902 4.673 4.651 1.00 0.00 C ATOM 452 O LYS A 30 14.894 5.738 4.035 1.00 0.00 O ATOM 453 CB LYS A 30 15.667 5.398 6.898 1.00 0.00 C ATOM 454 CG LYS A 30 16.061 4.853 8.261 1.00 0.00 C ATOM 455 CD LYS A 30 15.814 5.871 9.360 1.00 0.00 C ATOM 456 CE LYS A 30 16.231 5.333 10.718 1.00 0.00 C ATOM 457 NZ LYS A 30 15.481 4.098 11.078 1.00 0.00 N ATOM 0 H LYS A 30 17.742 5.400 5.539 1.00 0.00 H new ATOM 0 HA LYS A 30 15.786 3.406 6.137 1.00 0.00 H new ATOM 0 HB2 LYS A 30 16.228 6.313 6.706 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.611 5.669 6.916 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.493 3.946 8.469 1.00 0.00 H new ATOM 0 HG3 LYS A 30 17.115 4.574 8.252 1.00 0.00 H new ATOM 0 HD2 LYS A 30 16.368 6.784 9.143 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.757 6.137 9.381 1.00 0.00 H new ATOM 0 HE2 LYS A 30 17.300 5.120 10.712 1.00 0.00 H new ATOM 0 HE3 LYS A 30 16.062 6.095 11.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.612 3.895 12.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.469 4.236 10.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.838 3.299 10.516 1.00 0.00 H new ATOM 471 N TYR A 31 14.056 3.691 4.404 1.00 0.00 N ATOM 472 CA TYR A 31 13.053 3.803 3.361 1.00 0.00 C ATOM 473 C TYR A 31 11.647 3.746 3.942 1.00 0.00 C ATOM 474 O TYR A 31 11.385 3.021 4.902 1.00 0.00 O ATOM 475 CB TYR A 31 13.257 2.701 2.319 1.00 0.00 C ATOM 476 CG TYR A 31 14.148 3.123 1.173 1.00 0.00 C ATOM 477 CD1 TYR A 31 15.531 3.122 1.305 1.00 0.00 C ATOM 478 CD2 TYR A 31 13.606 3.530 -0.038 1.00 0.00 C ATOM 479 CE1 TYR A 31 16.348 3.516 0.262 1.00 0.00 C ATOM 480 CE2 TYR A 31 14.416 3.923 -1.087 1.00 0.00 C ATOM 481 CZ TYR A 31 15.785 3.915 -0.932 1.00 0.00 C ATOM 482 OH TYR A 31 16.595 4.308 -1.973 1.00 0.00 O ATOM 0 H TYR A 31 14.043 2.806 4.911 1.00 0.00 H new ATOM 0 HA TYR A 31 13.168 4.772 2.874 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.690 1.826 2.804 1.00 0.00 H new ATOM 0 HB3 TYR A 31 12.287 2.399 1.924 1.00 0.00 H new ATOM 0 HD1 TYR A 31 15.975 2.808 2.238 1.00 0.00 H new ATOM 0 HD2 TYR A 31 12.533 3.540 -0.163 1.00 0.00 H new ATOM 0 HE1 TYR A 31 17.421 3.511 0.381 1.00 0.00 H new ATOM 0 HE2 TYR A 31 13.978 4.235 -2.024 1.00 0.00 H new ATOM 0 HH TYR A 31 17.449 3.831 -1.921 1.00 0.00 H new ATOM 492 N THR A 32 10.746 4.519 3.347 1.00 0.00 N ATOM 493 CA THR A 32 9.358 4.579 3.789 1.00 0.00 C ATOM 494 C THR A 32 8.448 3.971 2.727 1.00 0.00 C ATOM 495 O THR A 32 8.926 3.522 1.685 1.00 0.00 O ATOM 496 CB THR A 32 8.933 6.034 4.079 1.00 0.00 C ATOM 497 OG1 THR A 32 7.508 6.168 4.010 1.00 0.00 O ATOM 498 CG2 THR A 32 9.590 6.987 3.097 1.00 0.00 C ATOM 0 H THR A 32 10.955 5.119 2.549 1.00 0.00 H new ATOM 0 HA THR A 32 9.267 4.007 4.712 1.00 0.00 H new ATOM 0 HB THR A 32 9.260 6.287 5.088 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.257 7.096 4.198 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.278 8.008 3.317 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.674 6.911 3.186 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.290 6.727 2.082 1.00 0.00 H new ATOM 506 N CYS A 33 7.144 3.949 2.983 1.00 0.00 N ATOM 507 CA CYS A 33 6.208 3.371 2.026 1.00 0.00 C ATOM 508 C CYS A 33 4.972 4.240 1.817 1.00 0.00 C ATOM 509 O CYS A 33 4.129 4.395 2.702 1.00 0.00 O ATOM 510 CB CYS A 33 5.783 1.976 2.484 1.00 0.00 C ATOM 511 SG CYS A 33 7.138 0.759 2.510 1.00 0.00 S ATOM 0 H CYS A 33 6.716 4.319 3.832 1.00 0.00 H new ATOM 0 HA CYS A 33 6.729 3.309 1.071 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.354 2.048 3.483 1.00 0.00 H new ATOM 0 HB3 CYS A 33 4.995 1.613 1.824 1.00 0.00 H new ATOM 516 N LEU A 34 4.918 4.809 0.613 1.00 0.00 N ATOM 517 CA LEU A 34 3.817 5.675 0.202 1.00 0.00 C ATOM 518 C LEU A 34 2.484 5.160 0.749 1.00 0.00 C ATOM 519 O LEU A 34 2.257 3.953 0.825 1.00 0.00 O ATOM 520 CB LEU A 34 3.774 5.799 -1.323 1.00 0.00 C ATOM 521 CG LEU A 34 5.112 6.173 -1.972 1.00 0.00 C ATOM 522 CD1 LEU A 34 5.020 6.068 -3.487 1.00 0.00 C ATOM 523 CD2 LEU A 34 5.537 7.573 -1.556 1.00 0.00 C ATOM 0 H LEU A 34 5.635 4.682 -0.102 1.00 0.00 H new ATOM 0 HA LEU A 34 3.987 6.667 0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.435 4.852 -1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.032 6.551 -1.592 1.00 0.00 H new ATOM 0 HG LEU A 34 5.869 5.469 -1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.979 6.337 -3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.766 5.045 -3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.249 6.746 -3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.489 7.819 -2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.780 8.291 -1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.648 7.613 -0.472 1.00 0.00 H new ATOM 535 N PRO A 35 1.590 6.084 1.137 1.00 0.00 N ATOM 536 CA PRO A 35 0.283 5.765 1.721 1.00 0.00 C ATOM 537 C PRO A 35 -0.460 4.606 1.051 1.00 0.00 C ATOM 538 O PRO A 35 -0.847 4.684 -0.115 1.00 0.00 O ATOM 539 CB PRO A 35 -0.520 7.068 1.560 1.00 0.00 C ATOM 540 CG PRO A 35 0.373 8.023 0.829 1.00 0.00 C ATOM 541 CD PRO A 35 1.774 7.534 1.033 1.00 0.00 C ATOM 0 HA PRO A 35 0.410 5.429 2.750 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.440 6.892 1.003 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.808 7.470 2.531 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.123 8.054 -0.232 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.256 9.036 1.214 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.423 7.802 0.199 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.223 7.952 1.934 1.00 0.00 H new ATOM 549 N GLY A 36 -0.648 3.533 1.820 1.00 0.00 N ATOM 550 CA GLY A 36 -1.393 2.384 1.326 1.00 0.00 C ATOM 551 C GLY A 36 -0.528 1.205 0.919 1.00 0.00 C ATOM 552 O GLY A 36 -1.001 0.074 0.924 1.00 0.00 O ATOM 0 H GLY A 36 -0.299 3.439 2.774 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.090 2.059 2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.990 2.694 0.468 1.00 0.00 H new ATOM 556 N TYR A 37 0.707 1.489 0.511 1.00 0.00 N ATOM 557 CA TYR A 37 1.680 0.474 0.082 1.00 0.00 C ATOM 558 C TYR A 37 1.473 -0.928 0.671 1.00 0.00 C ATOM 559 O TYR A 37 1.988 -1.887 0.115 1.00 0.00 O ATOM 560 CB TYR A 37 3.092 0.936 0.422 1.00 0.00 C ATOM 561 CG TYR A 37 3.921 1.249 -0.794 1.00 0.00 C ATOM 562 CD1 TYR A 37 4.480 0.235 -1.561 1.00 0.00 C ATOM 563 CD2 TYR A 37 4.140 2.559 -1.181 1.00 0.00 C ATOM 564 CE1 TYR A 37 5.233 0.525 -2.678 1.00 0.00 C ATOM 565 CE2 TYR A 37 4.893 2.856 -2.297 1.00 0.00 C ATOM 566 CZ TYR A 37 5.437 1.838 -3.041 1.00 0.00 C ATOM 567 OH TYR A 37 6.186 2.135 -4.154 1.00 0.00 O ATOM 0 H TYR A 37 1.069 2.441 0.467 1.00 0.00 H new ATOM 0 HA TYR A 37 1.525 0.378 -0.993 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.035 1.823 1.053 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.591 0.161 1.004 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.322 -0.795 -1.278 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.714 3.363 -0.599 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.661 -0.273 -3.266 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.054 3.884 -2.585 1.00 0.00 H new ATOM 0 HH TYR A 37 5.926 1.543 -4.891 1.00 0.00 H new ATOM 577 N VAL A 38 0.772 -1.063 1.795 1.00 0.00 N ATOM 578 CA VAL A 38 0.548 -2.385 2.391 1.00 0.00 C ATOM 579 C VAL A 38 1.889 -2.953 2.845 1.00 0.00 C ATOM 580 O VAL A 38 2.905 -2.265 2.740 1.00 0.00 O ATOM 581 CB VAL A 38 -0.176 -3.388 1.439 1.00 0.00 C ATOM 582 CG1 VAL A 38 -1.088 -2.660 0.466 1.00 0.00 C ATOM 583 CG2 VAL A 38 0.800 -4.286 0.689 1.00 0.00 C ATOM 0 H VAL A 38 0.353 -0.287 2.308 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.123 -2.250 3.240 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.786 -4.032 2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.579 -3.384 -0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.842 -2.102 1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.499 -1.970 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.246 -4.965 0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.468 -3.672 0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.385 -4.864 1.404 1.00 0.00 H new ATOM 593 N ARG A 39 1.925 -4.182 3.345 1.00 0.00 N ATOM 594 CA ARG A 39 3.203 -4.745 3.771 1.00 0.00 C ATOM 595 C ARG A 39 3.145 -6.245 4.027 1.00 0.00 C ATOM 596 O ARG A 39 2.114 -6.790 4.421 1.00 0.00 O ATOM 597 CB ARG A 39 3.710 -4.029 5.026 1.00 0.00 C ATOM 598 CG ARG A 39 2.755 -4.120 6.206 1.00 0.00 C ATOM 599 CD ARG A 39 3.329 -3.447 7.442 1.00 0.00 C ATOM 600 NE ARG A 39 3.528 -2.013 7.244 1.00 0.00 N ATOM 601 CZ ARG A 39 3.965 -1.189 8.191 1.00 0.00 C ATOM 602 NH1 ARG A 39 4.238 -1.651 9.405 1.00 0.00 N ATOM 603 NH2 ARG A 39 4.126 0.100 7.927 1.00 0.00 N ATOM 0 H ARG A 39 1.116 -4.791 3.464 1.00 0.00 H new ATOM 0 HA ARG A 39 3.895 -4.588 2.944 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.671 -4.455 5.314 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.884 -2.979 4.790 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.806 -3.652 5.944 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.545 -5.167 6.425 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.658 -3.606 8.286 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.280 -3.913 7.699 1.00 0.00 H new ATOM 0 HE ARG A 39 3.319 -1.621 6.326 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.113 -2.641 9.614 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.573 -1.016 10.129 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.914 0.460 6.996 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.461 0.732 8.654 1.00 0.00 H new ATOM 617 N SER A 40 4.283 -6.896 3.793 1.00 0.00 N ATOM 618 CA SER A 40 4.420 -8.329 4.006 1.00 0.00 C ATOM 619 C SER A 40 5.706 -8.628 4.778 1.00 0.00 C ATOM 620 O SER A 40 5.936 -9.760 5.205 1.00 0.00 O ATOM 621 CB SER A 40 4.428 -9.070 2.666 1.00 0.00 C ATOM 622 OG SER A 40 4.581 -10.465 2.855 1.00 0.00 O ATOM 0 H SER A 40 5.131 -6.444 3.452 1.00 0.00 H new ATOM 0 HA SER A 40 3.568 -8.675 4.591 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.499 -8.872 2.132 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.240 -8.693 2.044 1.00 0.00 H new ATOM 0 HG SER A 40 4.959 -10.635 3.743 1.00 0.00 H new ATOM 628 N HIS A 41 6.541 -7.602 4.951 1.00 0.00 N ATOM 629 CA HIS A 41 7.804 -7.748 5.677 1.00 0.00 C ATOM 630 C HIS A 41 8.017 -6.593 6.656 1.00 0.00 C ATOM 631 O HIS A 41 8.761 -6.726 7.627 1.00 0.00 O ATOM 632 CB HIS A 41 8.980 -7.830 4.702 1.00 0.00 C ATOM 633 CG HIS A 41 9.083 -9.148 3.999 1.00 0.00 C ATOM 634 ND1 HIS A 41 8.761 -9.322 2.670 1.00 0.00 N ATOM 635 CD2 HIS A 41 9.482 -10.362 4.448 1.00 0.00 C ATOM 636 CE1 HIS A 41 8.955 -10.584 2.333 1.00 0.00 C ATOM 637 NE2 HIS A 41 9.394 -11.235 3.393 1.00 0.00 N ATOM 0 H HIS A 41 6.366 -6.661 4.598 1.00 0.00 H new ATOM 0 HA HIS A 41 7.751 -8.675 6.247 1.00 0.00 H new ATOM 0 HB2 HIS A 41 8.882 -7.038 3.960 1.00 0.00 H new ATOM 0 HB3 HIS A 41 9.906 -7.644 5.246 1.00 0.00 H new ATOM 0 HD2 HIS A 41 9.809 -10.599 5.450 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.783 -11.011 1.356 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.630 -12.227 3.423 1.00 0.00 H new ATOM 646 N SER A 42 7.366 -5.462 6.385 1.00 0.00 N ATOM 647 CA SER A 42 7.461 -4.278 7.245 1.00 0.00 C ATOM 648 C SER A 42 8.824 -3.594 7.148 1.00 0.00 C ATOM 649 O SER A 42 8.963 -2.566 6.489 1.00 0.00 O ATOM 650 CB SER A 42 7.161 -4.648 8.701 1.00 0.00 C ATOM 651 OG SER A 42 7.223 -3.510 9.541 1.00 0.00 O ATOM 0 H SER A 42 6.763 -5.339 5.572 1.00 0.00 H new ATOM 0 HA SER A 42 6.715 -3.567 6.890 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.171 -5.099 8.768 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.876 -5.396 9.044 1.00 0.00 H new ATOM 0 HG SER A 42 7.026 -3.774 10.464 1.00 0.00 H new ATOM 657 N THR A 43 9.818 -4.168 7.820 1.00 0.00 N ATOM 658 CA THR A 43 11.177 -3.615 7.837 1.00 0.00 C ATOM 659 C THR A 43 11.603 -3.094 6.467 1.00 0.00 C ATOM 660 O THR A 43 11.426 -3.768 5.452 1.00 0.00 O ATOM 661 CB THR A 43 12.207 -4.660 8.302 1.00 0.00 C ATOM 662 OG1 THR A 43 11.773 -5.271 9.522 1.00 0.00 O ATOM 663 CG2 THR A 43 13.571 -4.018 8.508 1.00 0.00 C ATOM 0 H THR A 43 9.710 -5.023 8.365 1.00 0.00 H new ATOM 0 HA THR A 43 11.151 -2.785 8.543 1.00 0.00 H new ATOM 0 HB THR A 43 12.293 -5.422 7.527 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.434 -5.935 9.808 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.283 -4.775 8.837 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.913 -3.581 7.570 1.00 0.00 H new ATOM 0 HG23 THR A 43 13.495 -3.238 9.265 1.00 0.00 H new ATOM 671 N GLN A 44 12.179 -1.892 6.448 1.00 0.00 N ATOM 672 CA GLN A 44 12.636 -1.275 5.205 1.00 0.00 C ATOM 673 C GLN A 44 14.023 -0.662 5.371 1.00 0.00 C ATOM 674 O GLN A 44 14.163 0.434 5.916 1.00 0.00 O ATOM 675 CB GLN A 44 11.649 -0.198 4.737 1.00 0.00 C ATOM 676 CG GLN A 44 10.416 -0.063 5.615 1.00 0.00 C ATOM 677 CD GLN A 44 10.699 0.648 6.927 1.00 0.00 C ATOM 678 OE1 GLN A 44 11.810 0.589 7.453 1.00 0.00 O ATOM 679 NE2 GLN A 44 9.689 1.322 7.462 1.00 0.00 N ATOM 0 H GLN A 44 12.340 -1.326 7.281 1.00 0.00 H new ATOM 0 HA GLN A 44 12.690 -2.060 4.451 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.164 0.762 4.703 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.334 -0.427 3.719 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.646 0.484 5.070 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.015 -1.055 5.824 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.784 1.344 6.991 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.817 1.818 8.344 1.00 0.00 H new ATOM 688 N THR A 45 15.046 -1.372 4.895 1.00 0.00 N ATOM 689 CA THR A 45 16.422 -0.893 4.992 1.00 0.00 C ATOM 690 C THR A 45 17.282 -1.434 3.853 1.00 0.00 C ATOM 691 O THR A 45 17.201 -2.611 3.505 1.00 0.00 O ATOM 692 CB THR A 45 17.071 -1.296 6.331 1.00 0.00 C ATOM 693 OG1 THR A 45 16.997 -2.716 6.505 1.00 0.00 O ATOM 694 CG2 THR A 45 16.390 -0.601 7.501 1.00 0.00 C ATOM 0 H THR A 45 14.947 -2.279 4.439 1.00 0.00 H new ATOM 0 HA THR A 45 16.373 0.194 4.928 1.00 0.00 H new ATOM 0 HB THR A 45 18.116 -0.986 6.306 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.413 -2.963 7.357 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.868 -0.904 8.432 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.477 0.479 7.383 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.337 -0.880 7.527 1.00 0.00 H new ATOM 702 N LEU A 46 18.107 -0.564 3.282 1.00 0.00 N ATOM 703 CA LEU A 46 18.998 -0.943 2.189 1.00 0.00 C ATOM 704 C LEU A 46 20.446 -0.893 2.670 1.00 0.00 C ATOM 705 O LEU A 46 21.038 0.178 2.777 1.00 0.00 O ATOM 706 CB LEU A 46 18.807 -0.021 0.978 1.00 0.00 C ATOM 707 CG LEU A 46 17.700 -0.442 0.003 1.00 0.00 C ATOM 708 CD1 LEU A 46 16.353 -0.477 0.705 1.00 0.00 C ATOM 709 CD2 LEU A 46 17.655 0.495 -1.201 1.00 0.00 C ATOM 0 H LEU A 46 18.178 0.415 3.559 1.00 0.00 H new ATOM 0 HA LEU A 46 18.755 -1.959 1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.588 0.984 1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 46 19.749 0.034 0.432 1.00 0.00 H new ATOM 0 HG LEU A 46 17.926 -1.446 -0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.581 -0.778 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.390 -1.192 1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.121 0.514 1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.863 0.178 -1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 46 17.458 1.512 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.612 0.465 -1.722 1.00 0.00 H new ATOM 721 N THR A 47 21.007 -2.061 2.969 1.00 0.00 N ATOM 722 CA THR A 47 22.386 -2.149 3.439 1.00 0.00 C ATOM 723 C THR A 47 23.274 -2.757 2.366 1.00 0.00 C ATOM 724 O THR A 47 22.817 -3.574 1.566 1.00 0.00 O ATOM 725 CB THR A 47 22.493 -3.013 4.711 1.00 0.00 C ATOM 726 OG1 THR A 47 21.507 -2.606 5.667 1.00 0.00 O ATOM 727 CG2 THR A 47 23.879 -2.900 5.332 1.00 0.00 C ATOM 0 H THR A 47 20.529 -2.959 2.894 1.00 0.00 H new ATOM 0 HA THR A 47 22.714 -1.135 3.667 1.00 0.00 H new ATOM 0 HB THR A 47 22.321 -4.052 4.428 1.00 0.00 H new ATOM 0 HG1 THR A 47 21.824 -1.812 6.147 1.00 0.00 H new ATOM 0 HG21 THR A 47 23.928 -3.519 6.228 1.00 0.00 H new ATOM 0 HG22 THR A 47 24.627 -3.239 4.616 1.00 0.00 H new ATOM 0 HG23 THR A 47 24.075 -1.861 5.598 1.00 0.00 H new ATOM 735 N CYS A 48 24.543 -2.365 2.344 1.00 0.00 N ATOM 736 CA CYS A 48 25.463 -2.909 1.363 1.00 0.00 C ATOM 737 C CYS A 48 25.969 -4.250 1.871 1.00 0.00 C ATOM 738 O CYS A 48 26.618 -4.330 2.914 1.00 0.00 O ATOM 739 CB CYS A 48 26.624 -1.945 1.107 1.00 0.00 C ATOM 740 SG CYS A 48 27.786 -2.505 -0.178 1.00 0.00 S ATOM 0 H CYS A 48 24.950 -1.683 2.985 1.00 0.00 H new ATOM 0 HA CYS A 48 24.948 -3.048 0.413 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.220 -0.975 0.818 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.172 -1.798 2.038 1.00 0.00 H new ATOM 745 N ASN A 49 25.664 -5.300 1.125 1.00 0.00 N ATOM 746 CA ASN A 49 26.116 -6.632 1.484 1.00 0.00 C ATOM 747 C ASN A 49 27.397 -6.956 0.724 1.00 0.00 C ATOM 748 O ASN A 49 27.852 -6.161 -0.099 1.00 0.00 O ATOM 749 CB ASN A 49 25.031 -7.671 1.179 1.00 0.00 C ATOM 750 CG ASN A 49 24.918 -7.991 -0.299 1.00 0.00 C ATOM 751 OD1 ASN A 49 25.360 -7.222 -1.152 1.00 0.00 O ATOM 752 ND2 ASN A 49 24.308 -9.128 -0.608 1.00 0.00 N ATOM 0 H ASN A 49 25.108 -5.255 0.271 1.00 0.00 H new ATOM 0 HA ASN A 49 26.319 -6.663 2.555 1.00 0.00 H new ATOM 0 HB2 ASN A 49 25.248 -8.587 1.728 1.00 0.00 H new ATOM 0 HB3 ASN A 49 24.071 -7.303 1.540 1.00 0.00 H new ATOM 0 HD21 ASN A 49 24.190 -9.394 -1.586 1.00 0.00 H new ATOM 0 HD22 ASN A 49 23.957 -9.736 0.132 1.00 0.00 H new ATOM 759 N SER A 50 27.979 -8.113 0.997 1.00 0.00 N ATOM 760 CA SER A 50 29.203 -8.519 0.315 1.00 0.00 C ATOM 761 C SER A 50 28.835 -9.228 -0.986 1.00 0.00 C ATOM 762 O SER A 50 29.183 -10.387 -1.213 1.00 0.00 O ATOM 763 CB SER A 50 30.037 -9.431 1.214 1.00 0.00 C ATOM 764 OG SER A 50 31.223 -9.849 0.561 1.00 0.00 O ATOM 0 H SER A 50 27.629 -8.785 1.680 1.00 0.00 H new ATOM 0 HA SER A 50 29.804 -7.639 0.086 1.00 0.00 H new ATOM 0 HB2 SER A 50 30.291 -8.905 2.134 1.00 0.00 H new ATOM 0 HB3 SER A 50 29.448 -10.303 1.498 1.00 0.00 H new ATOM 0 HG SER A 50 30.992 -10.310 -0.273 1.00 0.00 H new ATOM 770 N ASP A 51 28.124 -8.488 -1.830 1.00 0.00 N ATOM 771 CA ASP A 51 27.651 -8.963 -3.125 1.00 0.00 C ATOM 772 C ASP A 51 27.560 -7.804 -4.106 1.00 0.00 C ATOM 773 O ASP A 51 27.162 -7.973 -5.258 1.00 0.00 O ATOM 774 CB ASP A 51 26.264 -9.579 -2.976 1.00 0.00 C ATOM 775 CG ASP A 51 26.259 -10.788 -2.060 1.00 0.00 C ATOM 776 OD1 ASP A 51 26.356 -10.603 -0.829 1.00 0.00 O ATOM 777 OD2 ASP A 51 26.164 -11.921 -2.575 1.00 0.00 O ATOM 0 H ASP A 51 27.856 -7.525 -1.630 1.00 0.00 H new ATOM 0 HA ASP A 51 28.354 -9.708 -3.497 1.00 0.00 H new ATOM 0 HB2 ASP A 51 25.577 -8.828 -2.585 1.00 0.00 H new ATOM 0 HB3 ASP A 51 25.892 -9.870 -3.958 1.00 0.00 H new ATOM 782 N GLY A 52 27.937 -6.625 -3.629 1.00 0.00 N ATOM 783 CA GLY A 52 27.866 -5.441 -4.457 1.00 0.00 C ATOM 784 C GLY A 52 26.444 -5.112 -4.862 1.00 0.00 C ATOM 785 O GLY A 52 26.197 -4.382 -5.822 1.00 0.00 O ATOM 0 H GLY A 52 28.290 -6.469 -2.685 1.00 0.00 H new ATOM 0 HA2 GLY A 52 28.293 -4.596 -3.917 1.00 0.00 H new ATOM 0 HA3 GLY A 52 28.472 -5.588 -5.351 1.00 0.00 H new ATOM 789 N GLU A 53 25.518 -5.682 -4.102 1.00 0.00 N ATOM 790 CA GLU A 53 24.099 -5.450 -4.325 1.00 0.00 C ATOM 791 C GLU A 53 23.391 -5.099 -3.023 1.00 0.00 C ATOM 792 O GLU A 53 23.843 -5.461 -1.939 1.00 0.00 O ATOM 793 CB GLU A 53 23.447 -6.684 -4.951 1.00 0.00 C ATOM 794 CG GLU A 53 23.098 -7.764 -3.941 1.00 0.00 C ATOM 795 CD GLU A 53 22.593 -9.034 -4.597 1.00 0.00 C ATOM 796 OE1 GLU A 53 21.376 -9.122 -4.863 1.00 0.00 O ATOM 797 OE2 GLU A 53 23.415 -9.942 -4.845 1.00 0.00 O ATOM 0 H GLU A 53 25.726 -6.309 -3.325 1.00 0.00 H new ATOM 0 HA GLU A 53 24.003 -4.608 -5.010 1.00 0.00 H new ATOM 0 HB2 GLU A 53 22.540 -6.380 -5.474 1.00 0.00 H new ATOM 0 HB3 GLU A 53 24.121 -7.101 -5.699 1.00 0.00 H new ATOM 0 HG2 GLU A 53 23.979 -7.994 -3.342 1.00 0.00 H new ATOM 0 HG3 GLU A 53 22.338 -7.385 -3.258 1.00 0.00 H new ATOM 804 N TRP A 54 22.277 -4.390 -3.138 1.00 0.00 N ATOM 805 CA TRP A 54 21.500 -4.003 -1.981 1.00 0.00 C ATOM 806 C TRP A 54 20.543 -5.122 -1.612 1.00 0.00 C ATOM 807 O TRP A 54 19.584 -5.418 -2.325 1.00 0.00 O ATOM 808 CB TRP A 54 20.751 -2.709 -2.282 1.00 0.00 C ATOM 809 CG TRP A 54 21.673 -1.596 -2.677 1.00 0.00 C ATOM 810 CD1 TRP A 54 21.956 -1.176 -3.944 1.00 0.00 C ATOM 811 CD2 TRP A 54 22.452 -0.778 -1.800 1.00 0.00 C ATOM 812 NE1 TRP A 54 22.855 -0.137 -3.907 1.00 0.00 N ATOM 813 CE2 TRP A 54 23.176 0.124 -2.600 1.00 0.00 C ATOM 814 CE3 TRP A 54 22.600 -0.721 -0.414 1.00 0.00 C ATOM 815 CZ2 TRP A 54 24.039 1.074 -2.056 1.00 0.00 C ATOM 816 CZ3 TRP A 54 23.457 0.219 0.125 1.00 0.00 C ATOM 817 CH2 TRP A 54 24.166 1.107 -0.694 1.00 0.00 C ATOM 0 H TRP A 54 21.894 -4.072 -4.028 1.00 0.00 H new ATOM 0 HA TRP A 54 22.159 -3.827 -1.131 1.00 0.00 H new ATOM 0 HB2 TRP A 54 20.034 -2.885 -3.084 1.00 0.00 H new ATOM 0 HB3 TRP A 54 20.180 -2.410 -1.403 1.00 0.00 H new ATOM 0 HD1 TRP A 54 21.535 -1.598 -4.844 1.00 0.00 H new ATOM 0 HE1 TRP A 54 23.223 0.359 -4.719 1.00 0.00 H new ATOM 0 HE3 TRP A 54 22.055 -1.399 0.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 24.587 1.759 -2.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 23.582 0.270 1.196 1.00 0.00 H new ATOM 0 HH2 TRP A 54 24.826 1.832 -0.241 1.00 0.00 H new ATOM 828 N VAL A 55 20.834 -5.735 -0.472 1.00 0.00 N ATOM 829 CA VAL A 55 20.068 -6.860 0.036 1.00 0.00 C ATOM 830 C VAL A 55 19.042 -6.367 1.049 1.00 0.00 C ATOM 831 O VAL A 55 19.315 -5.418 1.783 1.00 0.00 O ATOM 832 CB VAL A 55 21.011 -7.889 0.696 1.00 0.00 C ATOM 833 CG1 VAL A 55 20.366 -8.540 1.904 1.00 0.00 C ATOM 834 CG2 VAL A 55 21.443 -8.942 -0.308 1.00 0.00 C ATOM 0 H VAL A 55 21.613 -5.462 0.128 1.00 0.00 H new ATOM 0 HA VAL A 55 19.549 -7.342 -0.793 1.00 0.00 H new ATOM 0 HB VAL A 55 21.895 -7.352 1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 55 21.058 -9.258 2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.120 -7.776 2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 55 19.455 -9.055 1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 55 22.107 -9.657 0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 55 20.565 -9.463 -0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 55 21.968 -8.463 -1.135 1.00 0.00 H new ATOM 844 N TYR A 56 17.877 -7.016 1.107 1.00 0.00 N ATOM 845 CA TYR A 56 16.858 -6.629 2.085 1.00 0.00 C ATOM 846 C TYR A 56 15.535 -7.363 1.871 1.00 0.00 C ATOM 847 O TYR A 56 15.369 -8.083 0.885 1.00 0.00 O ATOM 848 CB TYR A 56 16.615 -5.114 2.048 1.00 0.00 C ATOM 849 CG TYR A 56 16.286 -4.578 0.670 1.00 0.00 C ATOM 850 CD1 TYR A 56 14.985 -4.601 0.185 1.00 0.00 C ATOM 851 CD2 TYR A 56 17.278 -4.044 -0.145 1.00 0.00 C ATOM 852 CE1 TYR A 56 14.681 -4.111 -1.071 1.00 0.00 C ATOM 853 CE2 TYR A 56 16.982 -3.553 -1.402 1.00 0.00 C ATOM 854 CZ TYR A 56 15.683 -3.588 -1.859 1.00 0.00 C ATOM 855 OH TYR A 56 15.384 -3.097 -3.110 1.00 0.00 O ATOM 0 H TYR A 56 17.619 -7.796 0.502 1.00 0.00 H new ATOM 0 HA TYR A 56 17.244 -6.914 3.064 1.00 0.00 H new ATOM 0 HB2 TYR A 56 15.797 -4.871 2.726 1.00 0.00 H new ATOM 0 HB3 TYR A 56 17.503 -4.604 2.423 1.00 0.00 H new ATOM 0 HD1 TYR A 56 14.197 -5.009 0.800 1.00 0.00 H new ATOM 0 HD2 TYR A 56 18.297 -4.013 0.211 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.664 -4.138 -1.433 1.00 0.00 H new ATOM 0 HE2 TYR A 56 17.765 -3.144 -2.023 1.00 0.00 H new ATOM 0 HH TYR A 56 15.151 -3.839 -3.706 1.00 0.00 H new ATOM 865 N ASN A 57 14.599 -7.181 2.797 1.00 0.00 N ATOM 866 CA ASN A 57 13.297 -7.837 2.706 1.00 0.00 C ATOM 867 C ASN A 57 12.313 -6.991 1.907 1.00 0.00 C ATOM 868 O ASN A 57 12.580 -5.828 1.603 1.00 0.00 O ATOM 869 CB ASN A 57 12.737 -8.106 4.102 1.00 0.00 C ATOM 870 CG ASN A 57 13.613 -9.044 4.907 1.00 0.00 C ATOM 871 OD1 ASN A 57 13.436 -10.262 4.871 1.00 0.00 O ATOM 872 ND2 ASN A 57 14.566 -8.481 5.641 1.00 0.00 N ATOM 0 H ASN A 57 14.716 -6.586 3.618 1.00 0.00 H new ATOM 0 HA ASN A 57 13.436 -8.786 2.188 1.00 0.00 H new ATOM 0 HB2 ASN A 57 12.634 -7.162 4.637 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.738 -8.533 4.013 1.00 0.00 H new ATOM 0 HD21 ASN A 57 15.186 -9.063 6.204 1.00 0.00 H new ATOM 0 HD22 ASN A 57 14.677 -7.467 5.641 1.00 0.00 H new ATOM 879 N THR A 58 11.169 -7.580 1.574 1.00 0.00 N ATOM 880 CA THR A 58 10.143 -6.880 0.813 1.00 0.00 C ATOM 881 C THR A 58 9.147 -6.206 1.748 1.00 0.00 C ATOM 882 O THR A 58 8.047 -6.711 1.974 1.00 0.00 O ATOM 883 CB THR A 58 9.380 -7.833 -0.122 1.00 0.00 C ATOM 884 OG1 THR A 58 10.298 -8.720 -0.773 1.00 0.00 O ATOM 885 CG2 THR A 58 8.600 -7.050 -1.167 1.00 0.00 C ATOM 0 H THR A 58 10.930 -8.541 1.820 1.00 0.00 H new ATOM 0 HA THR A 58 10.652 -6.128 0.210 1.00 0.00 H new ATOM 0 HB THR A 58 8.678 -8.413 0.478 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.804 -9.325 -1.365 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.067 -7.743 -1.818 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.884 -6.395 -0.671 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.289 -6.450 -1.762 1.00 0.00 H new ATOM 893 N PHE A 59 9.550 -5.066 2.293 1.00 0.00 N ATOM 894 CA PHE A 59 8.707 -4.311 3.213 1.00 0.00 C ATOM 895 C PHE A 59 7.295 -4.138 2.660 1.00 0.00 C ATOM 896 O PHE A 59 6.371 -4.845 3.061 1.00 0.00 O ATOM 897 CB PHE A 59 9.330 -2.942 3.515 1.00 0.00 C ATOM 898 CG PHE A 59 10.308 -2.464 2.476 1.00 0.00 C ATOM 899 CD1 PHE A 59 11.631 -2.878 2.507 1.00 0.00 C ATOM 900 CD2 PHE A 59 9.908 -1.598 1.473 1.00 0.00 C ATOM 901 CE1 PHE A 59 12.533 -2.438 1.560 1.00 0.00 C ATOM 902 CE2 PHE A 59 10.806 -1.156 0.521 1.00 0.00 C ATOM 903 CZ PHE A 59 12.120 -1.576 0.565 1.00 0.00 C ATOM 0 H PHE A 59 10.460 -4.641 2.113 1.00 0.00 H new ATOM 0 HA PHE A 59 8.638 -4.879 4.140 1.00 0.00 H new ATOM 0 HB2 PHE A 59 8.532 -2.206 3.612 1.00 0.00 H new ATOM 0 HB3 PHE A 59 9.837 -2.991 4.479 1.00 0.00 H new ATOM 0 HD1 PHE A 59 11.960 -3.554 3.283 1.00 0.00 H new ATOM 0 HD2 PHE A 59 8.882 -1.264 1.434 1.00 0.00 H new ATOM 0 HE1 PHE A 59 13.561 -2.768 1.598 1.00 0.00 H new ATOM 0 HE2 PHE A 59 10.480 -0.482 -0.257 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.824 -1.231 -0.178 1.00 0.00 H new ATOM 913 N CYS A 60 7.133 -3.196 1.741 1.00 0.00 N ATOM 914 CA CYS A 60 5.835 -2.933 1.134 1.00 0.00 C ATOM 915 C CYS A 60 5.831 -3.353 -0.329 1.00 0.00 C ATOM 916 O CYS A 60 6.880 -3.399 -0.972 1.00 0.00 O ATOM 917 CB CYS A 60 5.483 -1.453 1.257 1.00 0.00 C ATOM 918 SG CYS A 60 6.844 -0.325 0.819 1.00 0.00 S ATOM 0 H CYS A 60 7.886 -2.600 1.399 1.00 0.00 H new ATOM 0 HA CYS A 60 5.084 -3.519 1.664 1.00 0.00 H new ATOM 0 HB2 CYS A 60 4.628 -1.240 0.615 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.172 -1.249 2.281 1.00 0.00 H new ATOM 923 N ILE A 61 4.648 -3.656 -0.854 1.00 0.00 N ATOM 924 CA ILE A 61 4.531 -4.078 -2.242 1.00 0.00 C ATOM 925 C ILE A 61 3.433 -3.318 -2.977 1.00 0.00 C ATOM 926 O ILE A 61 3.390 -3.328 -4.207 1.00 0.00 O ATOM 927 CB ILE A 61 4.266 -5.593 -2.347 1.00 0.00 C ATOM 928 CG1 ILE A 61 2.848 -5.929 -1.879 1.00 0.00 C ATOM 929 CG2 ILE A 61 5.292 -6.361 -1.529 1.00 0.00 C ATOM 930 CD1 ILE A 61 2.502 -7.397 -2.008 1.00 0.00 C ATOM 0 H ILE A 61 3.766 -3.617 -0.344 1.00 0.00 H new ATOM 0 HA ILE A 61 5.486 -3.850 -2.716 1.00 0.00 H new ATOM 0 HB ILE A 61 4.357 -5.889 -3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.737 -5.628 -0.837 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.134 -5.343 -2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.096 -7.430 -1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.292 -6.146 -1.905 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.225 -6.058 -0.484 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.483 -7.563 -1.658 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.581 -7.699 -3.052 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.193 -7.988 -1.406 1.00 0.00 H new ATOM 942 N TYR A 62 2.547 -2.662 -2.225 1.00 0.00 N ATOM 943 CA TYR A 62 1.457 -1.901 -2.836 1.00 0.00 C ATOM 944 C TYR A 62 0.520 -2.814 -3.617 1.00 0.00 C ATOM 945 O TYR A 62 0.911 -3.464 -4.585 1.00 0.00 O ATOM 946 CB TYR A 62 2.017 -0.808 -3.746 1.00 0.00 C ATOM 947 CG TYR A 62 1.222 0.476 -3.692 1.00 0.00 C ATOM 948 CD1 TYR A 62 -0.140 0.497 -3.966 1.00 0.00 C ATOM 949 CD2 TYR A 62 1.838 1.668 -3.345 1.00 0.00 C ATOM 950 CE1 TYR A 62 -0.862 1.675 -3.896 1.00 0.00 C ATOM 951 CE2 TYR A 62 1.129 2.847 -3.274 1.00 0.00 C ATOM 952 CZ TYR A 62 -0.221 2.847 -3.549 1.00 0.00 C ATOM 953 OH TYR A 62 -0.930 4.022 -3.472 1.00 0.00 O ATOM 0 H TYR A 62 2.562 -2.642 -1.205 1.00 0.00 H new ATOM 0 HA TYR A 62 0.882 -1.433 -2.037 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.049 -0.601 -3.462 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.036 -1.173 -4.773 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.642 -0.420 -4.238 1.00 0.00 H new ATOM 0 HD2 TYR A 62 2.896 1.673 -3.126 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.920 1.678 -4.111 1.00 0.00 H new ATOM 0 HE2 TYR A 62 1.628 3.766 -3.004 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.328 4.751 -3.214 1.00 0.00 H new ATOM 963 N LYS A 63 -0.732 -2.839 -3.168 1.00 0.00 N ATOM 964 CA LYS A 63 -1.768 -3.662 -3.777 1.00 0.00 C ATOM 965 C LYS A 63 -3.139 -3.264 -3.247 1.00 0.00 C ATOM 966 O LYS A 63 -3.559 -3.707 -2.179 1.00 0.00 O ATOM 967 CB LYS A 63 -1.515 -5.138 -3.483 1.00 0.00 C ATOM 968 CG LYS A 63 -1.295 -5.416 -2.008 1.00 0.00 C ATOM 969 CD LYS A 63 -1.276 -6.902 -1.714 1.00 0.00 C ATOM 970 CE LYS A 63 -0.479 -7.213 -0.454 1.00 0.00 C ATOM 971 NZ LYS A 63 -1.329 -7.173 0.766 1.00 0.00 N ATOM 0 H LYS A 63 -1.055 -2.289 -2.372 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.742 -3.504 -4.855 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.364 -5.724 -3.836 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.642 -5.471 -4.045 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.352 -4.970 -1.690 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.085 -4.940 -1.426 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.298 -7.264 -1.598 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.843 -7.436 -2.560 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.024 -8.199 -0.547 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.335 -6.495 -0.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.779 -6.786 1.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.158 -6.569 0.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.645 -8.136 1.000 1.00 0.00 H new ATOM 985 N ARG A 64 -3.832 -2.422 -3.993 1.00 0.00 N ATOM 986 CA ARG A 64 -5.158 -1.975 -3.587 1.00 0.00 C ATOM 987 C ARG A 64 -6.225 -2.906 -4.148 1.00 0.00 C ATOM 988 O ARG A 64 -5.913 -3.968 -4.687 1.00 0.00 O ATOM 989 CB ARG A 64 -5.420 -0.533 -4.041 1.00 0.00 C ATOM 990 CG ARG A 64 -5.229 -0.305 -5.532 1.00 0.00 C ATOM 991 CD ARG A 64 -3.786 0.041 -5.867 1.00 0.00 C ATOM 992 NE ARG A 64 -3.612 0.352 -7.283 1.00 0.00 N ATOM 993 CZ ARG A 64 -2.469 0.782 -7.811 1.00 0.00 C ATOM 994 NH1 ARG A 64 -1.402 0.951 -7.040 1.00 0.00 N ATOM 995 NH2 ARG A 64 -2.392 1.043 -9.109 1.00 0.00 N ATOM 0 H ARG A 64 -3.504 -2.035 -4.878 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.203 -2.000 -2.498 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.440 -0.258 -3.770 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.754 0.135 -3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.525 -1.201 -6.078 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.883 0.501 -5.864 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.469 0.894 -5.267 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.141 -0.795 -5.598 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.413 0.233 -7.903 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.458 0.751 -6.041 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.526 1.281 -7.446 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.210 0.914 -9.705 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.515 1.373 -9.512 1.00 0.00 H new ATOM 1009 N CYS A 65 -7.483 -2.507 -4.017 1.00 0.00 N ATOM 1010 CA CYS A 65 -8.592 -3.305 -4.515 1.00 0.00 C ATOM 1011 C CYS A 65 -9.341 -2.520 -5.574 1.00 0.00 C ATOM 1012 O CYS A 65 -9.379 -1.292 -5.522 1.00 0.00 O ATOM 1013 CB CYS A 65 -9.544 -3.675 -3.378 1.00 0.00 C ATOM 1014 SG CYS A 65 -8.714 -4.253 -1.865 1.00 0.00 S ATOM 0 H CYS A 65 -7.760 -1.634 -3.569 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.197 -4.224 -4.948 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -10.155 -2.806 -3.134 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -10.222 -4.454 -3.727 1.00 0.00 H new ATOM 1019 N ARG A 66 -9.930 -3.213 -6.538 1.00 0.00 N ATOM 1020 CA ARG A 66 -10.664 -2.525 -7.583 1.00 0.00 C ATOM 1021 C ARG A 66 -11.765 -1.673 -6.966 1.00 0.00 C ATOM 1022 O ARG A 66 -12.431 -2.092 -6.021 1.00 0.00 O ATOM 1023 CB ARG A 66 -11.243 -3.510 -8.600 1.00 0.00 C ATOM 1024 CG ARG A 66 -12.126 -2.854 -9.647 1.00 0.00 C ATOM 1025 CD ARG A 66 -11.358 -1.806 -10.433 1.00 0.00 C ATOM 1026 NE ARG A 66 -10.245 -2.382 -11.180 1.00 0.00 N ATOM 1027 CZ ARG A 66 -9.299 -1.657 -11.770 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -9.336 -0.332 -11.704 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -8.314 -2.255 -12.424 1.00 0.00 N ATOM 0 H ARG A 66 -9.914 -4.230 -6.616 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.972 -1.875 -8.119 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.424 -4.027 -9.100 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.822 -4.267 -8.071 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.512 -3.612 -10.328 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.986 -2.392 -9.163 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -12.035 -1.304 -11.124 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.980 -1.046 -9.749 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.189 -3.398 -11.254 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.091 0.133 -11.200 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.609 0.222 -12.157 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.280 -3.273 -12.476 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.589 -1.697 -12.876 1.00 0.00 H new ATOM 1043 N HIS A 67 -11.941 -0.478 -7.508 1.00 0.00 N ATOM 1044 CA HIS A 67 -12.950 0.445 -7.004 1.00 0.00 C ATOM 1045 C HIS A 67 -14.291 -0.259 -6.810 1.00 0.00 C ATOM 1046 O HIS A 67 -14.804 -0.891 -7.734 1.00 0.00 O ATOM 1047 CB HIS A 67 -13.118 1.622 -7.966 1.00 0.00 C ATOM 1048 CG HIS A 67 -14.004 2.708 -7.440 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -15.336 2.826 -7.780 1.00 0.00 N ATOM 1050 CD2 HIS A 67 -13.741 3.732 -6.594 1.00 0.00 C ATOM 1051 CE1 HIS A 67 -15.853 3.877 -7.166 1.00 0.00 C ATOM 1052 NE2 HIS A 67 -14.907 4.443 -6.441 1.00 0.00 N ATOM 0 H HIS A 67 -11.400 -0.123 -8.296 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.612 0.816 -6.036 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -12.137 2.041 -8.188 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.528 1.255 -8.907 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -12.792 3.949 -6.127 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -16.876 4.215 -7.245 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -15.022 5.274 -5.861 1.00 0.00 H new ATOM 1061 N PRO A 68 -14.869 -0.164 -5.597 1.00 0.00 N ATOM 1062 CA PRO A 68 -16.163 -0.771 -5.279 1.00 0.00 C ATOM 1063 C PRO A 68 -17.181 -0.539 -6.385 1.00 0.00 C ATOM 1064 O PRO A 68 -17.968 -1.423 -6.722 1.00 0.00 O ATOM 1065 CB PRO A 68 -16.608 -0.033 -4.004 1.00 0.00 C ATOM 1066 CG PRO A 68 -15.580 1.026 -3.756 1.00 0.00 C ATOM 1067 CD PRO A 68 -14.330 0.559 -4.441 1.00 0.00 C ATOM 0 HA PRO A 68 -16.086 -1.852 -5.159 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -17.597 0.407 -4.134 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -16.672 -0.719 -3.159 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -15.907 1.987 -4.153 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.411 1.163 -2.688 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.693 1.392 -4.741 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -13.730 -0.086 -3.800 1.00 0.00 H new ATOM 1075 N GLY A 69 -17.139 0.660 -6.952 1.00 0.00 N ATOM 1076 CA GLY A 69 -18.075 1.034 -7.990 1.00 0.00 C ATOM 1077 C GLY A 69 -18.988 2.143 -7.515 1.00 0.00 C ATOM 1078 O GLY A 69 -18.869 2.624 -6.387 1.00 0.00 O ATOM 0 H GLY A 69 -16.465 1.386 -6.707 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.531 1.359 -8.877 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.669 0.167 -8.280 1.00 0.00 H new ATOM 1082 N GLU A 70 -19.896 2.552 -8.389 1.00 0.00 N ATOM 1083 CA GLU A 70 -20.843 3.603 -8.058 1.00 0.00 C ATOM 1084 C GLU A 70 -21.997 3.033 -7.241 1.00 0.00 C ATOM 1085 O GLU A 70 -22.577 2.003 -7.588 1.00 0.00 O ATOM 1086 CB GLU A 70 -21.357 4.310 -9.314 1.00 0.00 C ATOM 1087 CG GLU A 70 -22.328 5.442 -9.019 1.00 0.00 C ATOM 1088 CD GLU A 70 -22.895 6.070 -10.278 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -22.287 7.034 -10.788 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -23.950 5.598 -10.753 1.00 0.00 O ATOM 0 H GLU A 70 -19.996 2.172 -9.330 1.00 0.00 H new ATOM 0 HA GLU A 70 -20.325 4.349 -7.456 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.508 4.706 -9.871 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -21.848 3.580 -9.957 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -23.146 5.063 -8.407 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -21.820 6.208 -8.433 1.00 0.00 H new ATOM 1097 N LEU A 71 -22.323 3.726 -6.153 1.00 0.00 N ATOM 1098 CA LEU A 71 -23.421 3.332 -5.281 1.00 0.00 C ATOM 1099 C LEU A 71 -24.678 4.070 -5.719 1.00 0.00 C ATOM 1100 O LEU A 71 -24.892 5.217 -5.323 1.00 0.00 O ATOM 1101 CB LEU A 71 -23.092 3.684 -3.821 1.00 0.00 C ATOM 1102 CG LEU A 71 -23.730 2.789 -2.744 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -23.408 3.323 -1.356 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -25.237 2.684 -2.933 1.00 0.00 C ATOM 0 H LEU A 71 -21.836 4.571 -5.854 1.00 0.00 H new ATOM 0 HA LEU A 71 -23.576 2.255 -5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -22.010 3.651 -3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -23.402 4.713 -3.639 1.00 0.00 H new ATOM 0 HG LEU A 71 -23.309 1.789 -2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -23.866 2.680 -0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -22.328 3.337 -1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -23.800 4.335 -1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -25.657 2.045 -2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -25.682 3.677 -2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -25.452 2.255 -3.912 1.00 0.00 H new ATOM 1116 N ARG A 72 -25.508 3.433 -6.541 1.00 0.00 N ATOM 1117 CA ARG A 72 -26.740 4.077 -6.976 1.00 0.00 C ATOM 1118 C ARG A 72 -27.606 4.331 -5.752 1.00 0.00 C ATOM 1119 O ARG A 72 -27.939 3.413 -5.002 1.00 0.00 O ATOM 1120 CB ARG A 72 -27.476 3.252 -8.034 1.00 0.00 C ATOM 1121 CG ARG A 72 -28.854 3.792 -8.384 1.00 0.00 C ATOM 1122 CD ARG A 72 -29.506 2.983 -9.495 1.00 0.00 C ATOM 1123 NE ARG A 72 -29.600 1.563 -9.159 1.00 0.00 N ATOM 1124 CZ ARG A 72 -30.014 0.629 -10.011 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -30.395 0.966 -11.236 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -30.052 -0.643 -9.636 1.00 0.00 N ATOM 0 H ARG A 72 -25.355 2.495 -6.911 1.00 0.00 H new ATOM 0 HA ARG A 72 -26.501 5.026 -7.456 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -26.870 3.215 -8.939 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -27.578 2.227 -7.676 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -29.489 3.773 -7.498 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -28.770 4.834 -8.693 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -30.504 3.376 -9.691 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -28.931 3.100 -10.414 1.00 0.00 H new ATOM 0 HE ARG A 72 -29.333 1.272 -8.218 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -30.371 1.943 -11.527 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -30.712 0.248 -11.887 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -29.764 -0.906 -8.694 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -30.370 -1.358 -10.290 1.00 0.00 H new ATOM 1140 N ASN A 73 -27.954 5.603 -5.566 1.00 0.00 N ATOM 1141 CA ASN A 73 -28.707 6.035 -4.402 1.00 0.00 C ATOM 1142 C ASN A 73 -27.801 5.850 -3.201 1.00 0.00 C ATOM 1143 O ASN A 73 -28.217 5.320 -2.174 1.00 0.00 O ATOM 1144 CB ASN A 73 -30.002 5.229 -4.236 1.00 0.00 C ATOM 1145 CG ASN A 73 -30.750 5.050 -5.543 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -30.547 5.974 -6.472 1.00 0.00 O flip ATOM 1147 ND2 ASN A 73 -31.495 4.086 -5.717 1.00 0.00 N flip ATOM 0 H ASN A 73 -27.722 6.354 -6.216 1.00 0.00 H new ATOM 0 HA ASN A 73 -29.007 7.077 -4.511 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -29.765 4.250 -3.820 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -30.649 5.732 -3.517 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -31.622 3.399 -4.974 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -31.986 3.974 -6.604 1.00 0.00 H new ATOM 1154 N GLY A 74 -26.565 6.327 -3.321 1.00 0.00 N ATOM 1155 CA GLY A 74 -25.616 6.162 -2.243 1.00 0.00 C ATOM 1156 C GLY A 74 -24.302 6.880 -2.493 1.00 0.00 C ATOM 1157 O GLY A 74 -24.113 7.506 -3.536 1.00 0.00 O ATOM 0 H GLY A 74 -26.209 6.820 -4.140 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -26.057 6.535 -1.318 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -25.421 5.099 -2.098 1.00 0.00 H new ATOM 1161 N GLN A 75 -23.396 6.783 -1.524 1.00 0.00 N ATOM 1162 CA GLN A 75 -22.094 7.436 -1.634 1.00 0.00 C ATOM 1163 C GLN A 75 -20.998 6.612 -0.958 1.00 0.00 C ATOM 1164 O GLN A 75 -20.633 6.872 0.190 1.00 0.00 O ATOM 1165 CB GLN A 75 -22.153 8.838 -1.022 1.00 0.00 C ATOM 1166 CG GLN A 75 -20.815 9.559 -1.016 1.00 0.00 C ATOM 1167 CD GLN A 75 -20.898 10.935 -0.386 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -21.155 11.926 -1.068 1.00 0.00 O ATOM 1169 NE2 GLN A 75 -20.680 11.001 0.922 1.00 0.00 N ATOM 0 H GLN A 75 -23.537 6.262 -0.659 1.00 0.00 H new ATOM 0 HA GLN A 75 -21.848 7.517 -2.693 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -22.876 9.437 -1.576 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -22.520 8.763 0.002 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -20.085 8.958 -0.473 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -20.452 9.653 -2.040 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -20.470 10.152 1.448 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -20.722 11.900 1.401 1.00 0.00 H new ATOM 1178 N VAL A 76 -20.494 5.603 -1.669 1.00 0.00 N ATOM 1179 CA VAL A 76 -19.433 4.749 -1.139 1.00 0.00 C ATOM 1180 C VAL A 76 -18.275 5.589 -0.596 1.00 0.00 C ATOM 1181 O VAL A 76 -17.676 6.378 -1.329 1.00 0.00 O ATOM 1182 CB VAL A 76 -18.923 3.758 -2.204 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -19.025 4.359 -3.585 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -17.504 3.310 -1.903 1.00 0.00 C ATOM 0 H VAL A 76 -20.803 5.358 -2.610 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.858 4.172 -0.318 1.00 0.00 H new ATOM 0 HB VAL A 76 -19.559 2.873 -2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -18.660 3.643 -4.321 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -20.066 4.602 -3.800 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -18.423 5.267 -3.632 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -17.172 2.612 -2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -16.844 4.177 -1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -17.476 2.819 -0.930 1.00 0.00 H new ATOM 1194 N GLU A 77 -17.962 5.420 0.681 1.00 0.00 N ATOM 1195 CA GLU A 77 -16.878 6.175 1.304 1.00 0.00 C ATOM 1196 C GLU A 77 -15.518 5.823 0.692 1.00 0.00 C ATOM 1197 O GLU A 77 -14.913 4.813 1.050 1.00 0.00 O ATOM 1198 CB GLU A 77 -16.850 5.915 2.813 1.00 0.00 C ATOM 1199 CG GLU A 77 -15.703 6.608 3.530 1.00 0.00 C ATOM 1200 CD GLU A 77 -15.669 6.300 5.014 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -15.058 5.279 5.395 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -16.252 7.080 5.795 1.00 0.00 O ATOM 0 H GLU A 77 -18.440 4.770 1.306 1.00 0.00 H new ATOM 0 HA GLU A 77 -17.067 7.233 1.120 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -17.793 6.247 3.248 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.780 4.841 2.987 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.760 6.302 3.078 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.790 7.685 3.389 1.00 0.00 H new ATOM 1209 N ILE A 78 -15.045 6.660 -0.235 1.00 0.00 N ATOM 1210 CA ILE A 78 -13.744 6.442 -0.872 1.00 0.00 C ATOM 1211 C ILE A 78 -12.961 7.747 -0.992 1.00 0.00 C ATOM 1212 O ILE A 78 -13.537 8.826 -1.133 1.00 0.00 O ATOM 1213 CB ILE A 78 -13.863 5.811 -2.276 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -14.558 4.452 -2.203 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -12.481 5.667 -2.903 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -13.730 3.373 -1.538 1.00 0.00 C ATOM 0 H ILE A 78 -15.540 7.490 -0.560 1.00 0.00 H new ATOM 0 HA ILE A 78 -13.214 5.745 -0.224 1.00 0.00 H new ATOM 0 HB ILE A 78 -14.468 6.469 -2.900 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -15.496 4.564 -1.659 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.812 4.130 -3.213 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -12.575 5.221 -3.893 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.017 6.649 -2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.861 5.027 -2.275 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.292 2.439 -1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.803 3.231 -2.094 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -13.498 3.671 -0.516 1.00 0.00 H new ATOM 1228 N LYS A 79 -11.640 7.623 -0.934 1.00 0.00 N ATOM 1229 CA LYS A 79 -10.733 8.759 -1.022 1.00 0.00 C ATOM 1230 C LYS A 79 -9.303 8.264 -0.997 1.00 0.00 C ATOM 1231 O LYS A 79 -8.483 8.807 -0.263 1.00 0.00 O ATOM 1232 CB LYS A 79 -10.934 9.715 0.157 1.00 0.00 C ATOM 1233 CG LYS A 79 -10.764 9.075 1.536 1.00 0.00 C ATOM 1234 CD LYS A 79 -11.789 7.992 1.817 1.00 0.00 C ATOM 1235 CE LYS A 79 -11.816 7.639 3.292 1.00 0.00 C ATOM 1236 NZ LYS A 79 -12.826 8.439 4.040 1.00 0.00 N ATOM 0 H LYS A 79 -11.167 6.726 -0.824 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.942 9.289 -1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.226 10.538 0.064 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.933 10.145 0.092 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.763 8.649 1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.841 9.848 2.301 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.776 8.330 1.502 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.554 7.103 1.231 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.037 6.578 3.407 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.829 7.807 3.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.970 8.023 4.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.488 9.417 4.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.726 8.436 3.519 1.00 0.00 H new ATOM 1250 N THR A 80 -9.017 7.247 -1.815 1.00 0.00 N ATOM 1251 CA THR A 80 -7.705 6.606 -1.849 1.00 0.00 C ATOM 1252 C THR A 80 -7.688 5.546 -0.766 1.00 0.00 C ATOM 1253 O THR A 80 -6.854 4.641 -0.754 1.00 0.00 O ATOM 1254 CB THR A 80 -6.538 7.584 -1.621 1.00 0.00 C ATOM 1255 OG1 THR A 80 -5.413 7.206 -2.425 1.00 0.00 O ATOM 1256 CG2 THR A 80 -6.142 7.583 -0.158 1.00 0.00 C ATOM 0 H THR A 80 -9.689 6.848 -2.470 1.00 0.00 H new ATOM 0 HA THR A 80 -7.560 6.185 -2.844 1.00 0.00 H new ATOM 0 HB THR A 80 -6.859 8.586 -1.906 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.677 7.835 -2.274 1.00 0.00 H new ATOM 0 HG21 THR A 80 -5.316 8.277 -0.004 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.993 7.891 0.449 1.00 0.00 H new ATOM 0 HG23 THR A 80 -5.832 6.580 0.134 1.00 0.00 H new ATOM 1264 N ASP A 81 -8.642 5.701 0.149 1.00 0.00 N ATOM 1265 CA ASP A 81 -8.831 4.793 1.264 1.00 0.00 C ATOM 1266 C ASP A 81 -8.810 3.355 0.805 1.00 0.00 C ATOM 1267 O ASP A 81 -8.622 2.433 1.599 1.00 0.00 O ATOM 1268 CB ASP A 81 -10.178 5.070 1.921 1.00 0.00 C ATOM 1269 CG ASP A 81 -10.364 4.296 3.212 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -10.748 3.110 3.144 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -10.125 4.877 4.291 1.00 0.00 O ATOM 0 H ASP A 81 -9.310 6.471 0.132 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.017 4.952 1.971 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -10.267 6.137 2.125 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -10.977 4.810 1.227 1.00 0.00 H new ATOM 1276 N LEU A 82 -9.032 3.176 -0.493 1.00 0.00 N ATOM 1277 CA LEU A 82 -9.085 1.864 -1.101 1.00 0.00 C ATOM 1278 C LEU A 82 -7.740 1.140 -1.012 1.00 0.00 C ATOM 1279 O LEU A 82 -7.484 0.206 -1.772 1.00 0.00 O ATOM 1280 CB LEU A 82 -9.510 2.004 -2.562 1.00 0.00 C ATOM 1281 CG LEU A 82 -10.344 0.854 -3.121 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -11.567 0.608 -2.252 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -10.757 1.159 -4.550 1.00 0.00 C ATOM 0 H LEU A 82 -9.180 3.943 -1.149 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.813 1.264 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -10.080 2.927 -2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.614 2.110 -3.174 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.738 -0.052 -3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.149 -0.215 -2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.250 0.354 -1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -12.181 1.508 -2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.352 0.333 -4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -11.349 2.074 -4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.867 1.289 -5.166 1.00 0.00 H new ATOM 1295 N SER A 83 -6.892 1.565 -0.087 1.00 0.00 N ATOM 1296 CA SER A 83 -5.606 0.913 0.107 1.00 0.00 C ATOM 1297 C SER A 83 -5.794 -0.354 0.938 1.00 0.00 C ATOM 1298 O SER A 83 -6.431 -0.312 1.990 1.00 0.00 O ATOM 1299 CB SER A 83 -4.630 1.861 0.805 1.00 0.00 C ATOM 1300 OG SER A 83 -4.371 3.005 0.009 1.00 0.00 O ATOM 0 H SER A 83 -7.069 2.352 0.537 1.00 0.00 H new ATOM 0 HA SER A 83 -5.192 0.646 -0.865 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.042 2.169 1.766 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.696 1.339 1.011 1.00 0.00 H new ATOM 0 HG SER A 83 -5.212 3.473 -0.175 1.00 0.00 H new ATOM 1306 N PHE A 84 -5.256 -1.476 0.458 1.00 0.00 N ATOM 1307 CA PHE A 84 -5.380 -2.749 1.171 1.00 0.00 C ATOM 1308 C PHE A 84 -5.227 -2.544 2.671 1.00 0.00 C ATOM 1309 O PHE A 84 -4.382 -1.766 3.114 1.00 0.00 O ATOM 1310 CB PHE A 84 -4.333 -3.750 0.674 1.00 0.00 C ATOM 1311 CG PHE A 84 -4.148 -4.934 1.583 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -5.062 -5.976 1.585 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -3.057 -5.005 2.436 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -4.894 -7.064 2.422 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -2.884 -6.091 3.274 1.00 0.00 C ATOM 1316 CZ PHE A 84 -3.803 -7.121 3.266 1.00 0.00 C ATOM 0 H PHE A 84 -4.733 -1.530 -0.416 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.374 -3.150 0.972 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.623 -4.105 -0.315 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.378 -3.237 0.561 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -5.916 -5.938 0.925 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.334 -4.203 2.446 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.615 -7.868 2.415 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.030 -6.133 3.934 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.669 -7.970 3.919 1.00 0.00 H new ATOM 1326 N GLY A 85 -6.045 -3.241 3.454 1.00 0.00 N ATOM 1327 CA GLY A 85 -5.984 -3.108 4.893 1.00 0.00 C ATOM 1328 C GLY A 85 -6.787 -1.922 5.383 1.00 0.00 C ATOM 1329 O GLY A 85 -6.502 -1.367 6.444 1.00 0.00 O ATOM 0 H GLY A 85 -6.749 -3.896 3.114 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.360 -4.019 5.358 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.945 -2.997 5.204 1.00 0.00 H new ATOM 1333 N SER A 86 -7.799 -1.531 4.608 1.00 0.00 N ATOM 1334 CA SER A 86 -8.633 -0.393 4.974 1.00 0.00 C ATOM 1335 C SER A 86 -10.120 -0.712 4.885 1.00 0.00 C ATOM 1336 O SER A 86 -10.539 -1.677 4.244 1.00 0.00 O ATOM 1337 CB SER A 86 -8.318 0.815 4.094 1.00 0.00 C ATOM 1338 OG SER A 86 -6.967 1.217 4.242 1.00 0.00 O ATOM 0 H SER A 86 -8.057 -1.983 3.731 1.00 0.00 H new ATOM 0 HA SER A 86 -8.401 -0.159 6.013 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.515 0.570 3.050 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.977 1.642 4.357 1.00 0.00 H new ATOM 0 HG SER A 86 -6.426 0.813 3.532 1.00 0.00 H new ATOM 1344 N GLN A 87 -10.900 0.132 5.545 1.00 0.00 N ATOM 1345 CA GLN A 87 -12.348 -0.017 5.577 1.00 0.00 C ATOM 1346 C GLN A 87 -13.016 1.158 4.866 1.00 0.00 C ATOM 1347 O GLN A 87 -12.618 2.310 5.045 1.00 0.00 O ATOM 1348 CB GLN A 87 -12.831 -0.126 7.031 1.00 0.00 C ATOM 1349 CG GLN A 87 -14.270 0.314 7.256 1.00 0.00 C ATOM 1350 CD GLN A 87 -14.380 1.791 7.586 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -14.608 2.608 6.567 1.00 0.00 O flip ATOM 1352 NE2 GLN A 87 -14.272 2.190 8.745 1.00 0.00 N flip ATOM 0 H GLN A 87 -10.550 0.934 6.070 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.625 -0.932 5.053 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.726 -1.160 7.358 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.178 0.476 7.663 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.856 0.100 6.362 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -14.703 -0.270 8.068 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -14.097 1.526 9.499 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.358 3.185 8.952 1.00 0.00 H new ATOM 1361 N ILE A 88 -14.020 0.860 4.043 1.00 0.00 N ATOM 1362 CA ILE A 88 -14.749 1.896 3.312 1.00 0.00 C ATOM 1363 C ILE A 88 -16.246 1.799 3.583 1.00 0.00 C ATOM 1364 O ILE A 88 -16.916 0.877 3.119 1.00 0.00 O ATOM 1365 CB ILE A 88 -14.506 1.819 1.788 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -14.818 0.423 1.251 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -13.073 2.205 1.457 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -15.111 0.399 -0.234 1.00 0.00 C ATOM 0 H ILE A 88 -14.347 -0.090 3.865 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.369 2.852 3.671 1.00 0.00 H new ATOM 0 HB ILE A 88 -15.180 2.526 1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -13.973 -0.234 1.457 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -15.675 0.019 1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.920 2.145 0.379 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -12.883 3.224 1.794 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.387 1.523 1.959 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -15.324 -0.623 -0.546 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -15.974 1.030 -0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -14.246 0.773 -0.782 1.00 0.00 H new ATOM 1380 N GLU A 89 -16.766 2.751 4.349 1.00 0.00 N ATOM 1381 CA GLU A 89 -18.185 2.766 4.672 1.00 0.00 C ATOM 1382 C GLU A 89 -18.997 3.170 3.455 1.00 0.00 C ATOM 1383 O GLU A 89 -18.464 3.289 2.353 1.00 0.00 O ATOM 1384 CB GLU A 89 -18.472 3.732 5.824 1.00 0.00 C ATOM 1385 CG GLU A 89 -17.389 3.754 6.884 1.00 0.00 C ATOM 1386 CD GLU A 89 -17.742 4.640 8.062 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -17.528 5.867 7.967 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -18.234 4.108 9.080 1.00 0.00 O ATOM 0 H GLU A 89 -16.229 3.517 4.755 1.00 0.00 H new ATOM 0 HA GLU A 89 -18.471 1.760 4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.595 4.737 5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -19.418 3.457 6.290 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -17.212 2.738 7.238 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -16.457 4.103 6.439 1.00 0.00 H new ATOM 1395 N PHE A 90 -20.290 3.372 3.659 1.00 0.00 N ATOM 1396 CA PHE A 90 -21.178 3.776 2.581 1.00 0.00 C ATOM 1397 C PHE A 90 -22.266 4.698 3.120 1.00 0.00 C ATOM 1398 O PHE A 90 -22.261 5.044 4.302 1.00 0.00 O ATOM 1399 CB PHE A 90 -21.800 2.548 1.907 1.00 0.00 C ATOM 1400 CG PHE A 90 -20.790 1.600 1.318 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -20.338 1.763 0.015 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -20.295 0.539 2.065 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -19.416 0.892 -0.528 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -19.371 -0.334 1.524 1.00 0.00 C ATOM 1405 CZ PHE A 90 -18.931 -0.159 0.226 1.00 0.00 C ATOM 0 H PHE A 90 -20.748 3.262 4.564 1.00 0.00 H new ATOM 0 HA PHE A 90 -20.598 4.317 1.834 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -22.405 2.011 2.638 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -22.475 2.881 1.118 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -20.713 2.582 -0.581 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -20.636 0.395 3.080 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -19.073 1.032 -1.543 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -18.992 -1.154 2.116 1.00 0.00 H new ATOM 0 HZ PHE A 90 -18.210 -0.842 -0.198 1.00 0.00 H new ATOM 1415 N SER A 91 -23.197 5.098 2.260 1.00 0.00 N ATOM 1416 CA SER A 91 -24.273 5.987 2.691 1.00 0.00 C ATOM 1417 C SER A 91 -25.453 5.969 1.731 1.00 0.00 C ATOM 1418 O SER A 91 -25.353 6.428 0.595 1.00 0.00 O ATOM 1419 CB SER A 91 -23.759 7.416 2.841 1.00 0.00 C ATOM 1420 OG SER A 91 -23.088 7.843 1.670 1.00 0.00 O ATOM 0 H SER A 91 -23.230 4.827 1.277 1.00 0.00 H new ATOM 0 HA SER A 91 -24.620 5.619 3.656 1.00 0.00 H new ATOM 0 HB2 SER A 91 -24.593 8.086 3.050 1.00 0.00 H new ATOM 0 HB3 SER A 91 -23.082 7.474 3.693 1.00 0.00 H new ATOM 0 HG SER A 91 -23.554 7.496 0.881 1.00 0.00 H new ATOM 1426 N CYS A 92 -26.573 5.444 2.210 1.00 0.00 N ATOM 1427 CA CYS A 92 -27.771 5.396 1.382 1.00 0.00 C ATOM 1428 C CYS A 92 -28.594 6.669 1.590 1.00 0.00 C ATOM 1429 O CYS A 92 -29.022 6.976 2.703 1.00 0.00 O ATOM 1430 CB CYS A 92 -28.595 4.136 1.665 1.00 0.00 C ATOM 1431 SG CYS A 92 -29.654 3.639 0.281 1.00 0.00 S ATOM 0 H CYS A 92 -26.678 5.053 3.146 1.00 0.00 H new ATOM 0 HA CYS A 92 -27.472 5.346 0.335 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -27.919 3.316 1.907 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -29.216 4.308 2.544 1.00 0.00 H new ATOM 1436 N SER A 93 -28.790 7.403 0.494 1.00 0.00 N ATOM 1437 CA SER A 93 -29.524 8.675 0.506 1.00 0.00 C ATOM 1438 C SER A 93 -30.811 8.638 1.331 1.00 0.00 C ATOM 1439 O SER A 93 -31.277 7.578 1.752 1.00 0.00 O ATOM 1440 CB SER A 93 -29.869 9.091 -0.924 1.00 0.00 C ATOM 1441 OG SER A 93 -28.742 9.643 -1.583 1.00 0.00 O ATOM 0 H SER A 93 -28.446 7.135 -0.428 1.00 0.00 H new ATOM 0 HA SER A 93 -28.860 9.398 0.979 1.00 0.00 H new ATOM 0 HB2 SER A 93 -30.231 8.226 -1.480 1.00 0.00 H new ATOM 0 HB3 SER A 93 -30.678 9.821 -0.908 1.00 0.00 H new ATOM 0 HG SER A 93 -28.990 9.899 -2.496 1.00 0.00 H new ATOM 1447 N GLU A 94 -31.375 9.831 1.542 1.00 0.00 N ATOM 1448 CA GLU A 94 -32.615 10.002 2.297 1.00 0.00 C ATOM 1449 C GLU A 94 -33.695 9.050 1.790 1.00 0.00 C ATOM 1450 O GLU A 94 -33.691 8.653 0.624 1.00 0.00 O ATOM 1451 CB GLU A 94 -33.090 11.453 2.177 1.00 0.00 C ATOM 1452 CG GLU A 94 -34.529 11.666 2.607 1.00 0.00 C ATOM 1453 CD GLU A 94 -34.974 13.108 2.468 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -35.412 13.491 1.364 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -34.883 13.856 3.466 1.00 0.00 O ATOM 0 H GLU A 94 -30.982 10.705 1.193 1.00 0.00 H new ATOM 0 HA GLU A 94 -32.424 9.768 3.344 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -32.443 12.088 2.782 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -32.978 11.777 1.142 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -35.181 11.030 2.008 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -34.644 11.353 3.645 1.00 0.00 H new ATOM 1462 N GLY A 95 -34.630 8.703 2.677 1.00 0.00 N ATOM 1463 CA GLY A 95 -35.705 7.794 2.317 1.00 0.00 C ATOM 1464 C GLY A 95 -35.208 6.376 2.139 1.00 0.00 C ATOM 1465 O GLY A 95 -35.941 5.417 2.366 1.00 0.00 O ATOM 0 H GLY A 95 -34.660 9.038 3.640 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -36.473 7.815 3.090 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -36.173 8.133 1.393 1.00 0.00 H new ATOM 1469 N PHE A 96 -33.955 6.253 1.729 1.00 0.00 N ATOM 1470 CA PHE A 96 -33.334 4.961 1.502 1.00 0.00 C ATOM 1471 C PHE A 96 -32.521 4.552 2.726 1.00 0.00 C ATOM 1472 O PHE A 96 -32.384 5.325 3.675 1.00 0.00 O ATOM 1473 CB PHE A 96 -32.409 5.047 0.294 1.00 0.00 C ATOM 1474 CG PHE A 96 -33.096 4.888 -1.027 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -34.070 5.783 -1.436 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -32.757 3.840 -1.865 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -34.696 5.636 -2.659 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -33.379 3.685 -3.089 1.00 0.00 C ATOM 1479 CZ PHE A 96 -34.350 4.584 -3.486 1.00 0.00 C ATOM 0 H PHE A 96 -33.342 7.047 1.545 1.00 0.00 H new ATOM 0 HA PHE A 96 -34.112 4.220 1.320 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -31.899 6.010 0.310 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -31.641 4.279 0.385 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -34.344 6.605 -0.792 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -31.998 3.136 -1.559 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -35.454 6.341 -2.968 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -33.107 2.863 -3.734 1.00 0.00 H new ATOM 0 HZ PHE A 96 -34.838 4.465 -4.442 1.00 0.00 H new ATOM 1489 N PHE A 97 -31.983 3.339 2.702 1.00 0.00 N ATOM 1490 CA PHE A 97 -31.166 2.849 3.804 1.00 0.00 C ATOM 1491 C PHE A 97 -30.171 1.813 3.305 1.00 0.00 C ATOM 1492 O PHE A 97 -30.343 1.216 2.242 1.00 0.00 O ATOM 1493 CB PHE A 97 -32.044 2.290 4.932 1.00 0.00 C ATOM 1494 CG PHE A 97 -32.708 0.978 4.630 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -33.803 0.918 3.785 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -32.251 -0.194 5.214 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -34.429 -0.286 3.522 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -32.876 -1.400 4.959 1.00 0.00 C ATOM 1499 CZ PHE A 97 -33.965 -1.446 4.111 1.00 0.00 C ATOM 0 H PHE A 97 -32.097 2.678 1.933 1.00 0.00 H new ATOM 0 HA PHE A 97 -30.602 3.685 4.216 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -31.430 2.172 5.825 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -32.814 3.024 5.169 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -34.173 1.823 3.326 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -31.398 -0.164 5.875 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -35.279 -0.320 2.857 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -32.513 -2.306 5.422 1.00 0.00 H new ATOM 0 HZ PHE A 97 -34.453 -2.388 3.909 1.00 0.00 H new ATOM 1509 N LEU A 98 -29.128 1.614 4.100 1.00 0.00 N ATOM 1510 CA LEU A 98 -28.071 0.677 3.751 1.00 0.00 C ATOM 1511 C LEU A 98 -28.411 -0.739 4.190 1.00 0.00 C ATOM 1512 O LEU A 98 -28.963 -0.955 5.269 1.00 0.00 O ATOM 1513 CB LEU A 98 -26.752 1.114 4.379 1.00 0.00 C ATOM 1514 CG LEU A 98 -25.514 0.464 3.766 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -24.298 1.342 3.990 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -25.295 -0.924 4.346 1.00 0.00 C ATOM 0 H LEU A 98 -28.992 2.090 4.992 1.00 0.00 H new ATOM 0 HA LEU A 98 -27.973 0.677 2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -26.662 2.196 4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -26.778 0.885 5.444 1.00 0.00 H new ATOM 0 HG LEU A 98 -25.670 0.358 2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -23.421 0.868 3.549 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -24.460 2.313 3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -24.138 1.476 5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -24.408 -1.370 3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -25.157 -0.850 5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -26.163 -1.548 4.133 1.00 0.00 H new ATOM 1528 N ILE A 99 -28.074 -1.702 3.336 1.00 0.00 N ATOM 1529 CA ILE A 99 -28.317 -3.117 3.596 1.00 0.00 C ATOM 1530 C ILE A 99 -27.376 -3.962 2.760 1.00 0.00 C ATOM 1531 O ILE A 99 -27.509 -4.072 1.542 1.00 0.00 O ATOM 1532 CB ILE A 99 -29.750 -3.515 3.212 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -30.540 -2.280 2.801 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -30.430 -4.241 4.360 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -31.736 -2.575 1.925 1.00 0.00 C ATOM 0 H ILE A 99 -27.622 -1.521 2.440 1.00 0.00 H new ATOM 0 HA ILE A 99 -28.159 -3.284 4.661 1.00 0.00 H new ATOM 0 HB ILE A 99 -29.711 -4.198 2.363 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -30.880 -1.764 3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -29.876 -1.596 2.272 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -31.444 -4.514 4.068 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -29.868 -5.142 4.605 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -30.467 -3.588 5.232 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -32.244 -1.643 1.677 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -31.404 -3.063 1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -32.424 -3.232 2.457 1.00 0.00 H new ATOM 1547 N GLY A 100 -26.426 -4.562 3.460 1.00 0.00 N ATOM 1548 CA GLY A 100 -25.423 -5.396 2.832 1.00 0.00 C ATOM 1549 C GLY A 100 -24.206 -5.550 3.718 1.00 0.00 C ATOM 1550 O GLY A 100 -23.812 -6.659 4.077 1.00 0.00 O ATOM 0 H GLY A 100 -26.332 -4.483 4.473 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -25.845 -6.377 2.616 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -25.128 -4.959 1.878 1.00 0.00 H new ATOM 1554 N SER A 101 -23.630 -4.407 4.063 1.00 0.00 N ATOM 1555 CA SER A 101 -22.448 -4.321 4.909 1.00 0.00 C ATOM 1556 C SER A 101 -21.950 -2.888 4.871 1.00 0.00 C ATOM 1557 O SER A 101 -21.304 -2.482 3.904 1.00 0.00 O ATOM 1558 CB SER A 101 -21.348 -5.267 4.419 1.00 0.00 C ATOM 1559 OG SER A 101 -20.245 -5.274 5.310 1.00 0.00 O ATOM 0 H SER A 101 -23.977 -3.498 3.758 1.00 0.00 H new ATOM 0 HA SER A 101 -22.706 -4.615 5.926 1.00 0.00 H new ATOM 0 HB2 SER A 101 -21.748 -6.276 4.323 1.00 0.00 H new ATOM 0 HB3 SER A 101 -21.016 -4.960 3.427 1.00 0.00 H new ATOM 0 HG SER A 101 -19.559 -4.653 4.987 1.00 0.00 H new ATOM 1565 N THR A 102 -22.246 -2.111 5.909 1.00 0.00 N ATOM 1566 CA THR A 102 -21.850 -0.713 5.931 1.00 0.00 C ATOM 1567 C THR A 102 -20.343 -0.573 5.877 1.00 0.00 C ATOM 1568 O THR A 102 -19.821 0.512 5.630 1.00 0.00 O ATOM 1569 CB THR A 102 -22.377 0.015 7.184 1.00 0.00 C ATOM 1570 OG1 THR A 102 -21.840 -0.593 8.365 1.00 0.00 O ATOM 1571 CG2 THR A 102 -23.897 -0.019 7.240 1.00 0.00 C ATOM 0 H THR A 102 -22.754 -2.425 6.736 1.00 0.00 H new ATOM 0 HA THR A 102 -22.292 -0.252 5.048 1.00 0.00 H new ATOM 0 HB THR A 102 -22.057 1.056 7.129 1.00 0.00 H new ATOM 0 HG1 THR A 102 -22.178 -0.124 9.157 1.00 0.00 H new ATOM 0 HG21 THR A 102 -24.240 0.502 8.134 1.00 0.00 H new ATOM 0 HG22 THR A 102 -24.305 0.471 6.356 1.00 0.00 H new ATOM 0 HG23 THR A 102 -24.237 -1.054 7.270 1.00 0.00 H new ATOM 1579 N THR A 103 -19.645 -1.670 6.111 1.00 0.00 N ATOM 1580 CA THR A 103 -18.200 -1.662 6.072 1.00 0.00 C ATOM 1581 C THR A 103 -17.704 -2.540 4.939 1.00 0.00 C ATOM 1582 O THR A 103 -18.390 -3.468 4.516 1.00 0.00 O ATOM 1583 CB THR A 103 -17.607 -2.135 7.400 1.00 0.00 C ATOM 1584 OG1 THR A 103 -18.082 -3.449 7.717 1.00 0.00 O ATOM 1585 CG2 THR A 103 -17.968 -1.170 8.515 1.00 0.00 C ATOM 0 H THR A 103 -20.059 -2.576 6.330 1.00 0.00 H new ATOM 0 HA THR A 103 -17.873 -0.636 5.902 1.00 0.00 H new ATOM 0 HB THR A 103 -16.522 -2.167 7.301 1.00 0.00 H new ATOM 0 HG1 THR A 103 -17.694 -3.741 8.568 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.538 -1.521 9.453 1.00 0.00 H new ATOM 0 HG22 THR A 103 -17.573 -0.181 8.282 1.00 0.00 H new ATOM 0 HG23 THR A 103 -19.052 -1.114 8.611 1.00 0.00 H new ATOM 1593 N SER A 104 -16.508 -2.245 4.451 1.00 0.00 N ATOM 1594 CA SER A 104 -15.892 -3.033 3.399 1.00 0.00 C ATOM 1595 C SER A 104 -14.381 -3.029 3.599 1.00 0.00 C ATOM 1596 O SER A 104 -13.735 -1.986 3.505 1.00 0.00 O ATOM 1597 CB SER A 104 -16.259 -2.486 2.020 1.00 0.00 C ATOM 1598 OG SER A 104 -17.620 -2.735 1.719 1.00 0.00 O ATOM 0 H SER A 104 -15.943 -1.459 4.771 1.00 0.00 H new ATOM 0 HA SER A 104 -16.262 -4.057 3.452 1.00 0.00 H new ATOM 0 HB2 SER A 104 -16.066 -1.414 1.988 1.00 0.00 H new ATOM 0 HB3 SER A 104 -15.625 -2.947 1.262 1.00 0.00 H new ATOM 0 HG SER A 104 -17.987 -1.979 1.215 1.00 0.00 H new ATOM 1604 N ARG A 105 -13.825 -4.202 3.874 1.00 0.00 N ATOM 1605 CA ARG A 105 -12.392 -4.342 4.122 1.00 0.00 C ATOM 1606 C ARG A 105 -11.658 -4.873 2.897 1.00 0.00 C ATOM 1607 O ARG A 105 -12.213 -5.633 2.104 1.00 0.00 O ATOM 1608 CB ARG A 105 -12.156 -5.273 5.311 1.00 0.00 C ATOM 1609 CG ARG A 105 -12.867 -4.831 6.579 1.00 0.00 C ATOM 1610 CD ARG A 105 -12.571 -5.766 7.739 1.00 0.00 C ATOM 1611 NE ARG A 105 -11.141 -5.859 8.016 1.00 0.00 N ATOM 1612 CZ ARG A 105 -10.579 -6.875 8.663 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -11.321 -7.888 9.087 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -9.272 -6.881 8.883 1.00 0.00 N ATOM 0 H ARG A 105 -14.347 -5.077 3.932 1.00 0.00 H new ATOM 0 HA ARG A 105 -11.996 -3.352 4.347 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.490 -6.277 5.048 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.086 -5.334 5.507 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.556 -3.819 6.838 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -13.942 -4.798 6.402 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.091 -5.414 8.630 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -12.962 -6.758 7.514 1.00 0.00 H new ATOM 0 HE ARG A 105 -10.539 -5.101 7.695 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -12.327 -7.890 8.917 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -10.886 -8.666 9.583 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -8.696 -6.105 8.556 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -8.842 -7.661 9.380 1.00 0.00 H new ATOM 1628 N CYS A 106 -10.397 -4.481 2.768 1.00 0.00 N ATOM 1629 CA CYS A 106 -9.568 -4.900 1.648 1.00 0.00 C ATOM 1630 C CYS A 106 -8.631 -6.024 2.068 1.00 0.00 C ATOM 1631 O CYS A 106 -7.779 -5.842 2.937 1.00 0.00 O ATOM 1632 CB CYS A 106 -8.758 -3.717 1.117 1.00 0.00 C ATOM 1633 SG CYS A 106 -9.408 -3.004 -0.426 1.00 0.00 S ATOM 0 H CYS A 106 -9.924 -3.868 3.432 1.00 0.00 H new ATOM 0 HA CYS A 106 -10.221 -5.267 0.856 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -8.729 -2.939 1.880 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -7.730 -4.040 0.951 1.00 0.00 H new ATOM 1638 N GLU A 107 -8.798 -7.184 1.447 1.00 0.00 N ATOM 1639 CA GLU A 107 -7.986 -8.345 1.769 1.00 0.00 C ATOM 1640 C GLU A 107 -7.194 -8.798 0.549 1.00 0.00 C ATOM 1641 O GLU A 107 -7.266 -8.173 -0.508 1.00 0.00 O ATOM 1642 CB GLU A 107 -8.890 -9.469 2.281 1.00 0.00 C ATOM 1643 CG GLU A 107 -8.150 -10.576 3.015 1.00 0.00 C ATOM 1644 CD GLU A 107 -7.354 -10.065 4.200 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -7.943 -9.922 5.293 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -6.143 -9.810 4.037 1.00 0.00 O ATOM 0 H GLU A 107 -9.491 -7.344 0.716 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.272 -8.081 2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.639 -9.043 2.949 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.426 -9.903 1.437 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.868 -11.320 3.359 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.477 -11.079 2.321 1.00 0.00 H new ATOM 1653 N VAL A 108 -6.419 -9.866 0.706 1.00 0.00 N ATOM 1654 CA VAL A 108 -5.620 -10.380 -0.399 1.00 0.00 C ATOM 1655 C VAL A 108 -5.679 -11.896 -0.533 1.00 0.00 C ATOM 1656 O VAL A 108 -5.494 -12.641 0.430 1.00 0.00 O ATOM 1657 CB VAL A 108 -4.151 -9.929 -0.292 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -3.269 -10.708 -1.258 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -4.049 -8.442 -0.568 1.00 0.00 C ATOM 0 H VAL A 108 -6.328 -10.387 1.578 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.066 -9.955 -1.298 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.800 -10.131 0.720 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.237 -10.370 -1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.326 -11.771 -1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.612 -10.541 -2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.008 -8.128 -0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.418 -8.232 -1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.648 -7.895 0.160 1.00 0.00 H new ATOM 1669 N GLN A 109 -5.940 -12.322 -1.762 1.00 0.00 N ATOM 1670 CA GLN A 109 -6.017 -13.734 -2.099 1.00 0.00 C ATOM 1671 C GLN A 109 -5.065 -14.052 -3.245 1.00 0.00 C ATOM 1672 O GLN A 109 -4.974 -13.292 -4.210 1.00 0.00 O ATOM 1673 CB GLN A 109 -7.452 -14.104 -2.482 1.00 0.00 C ATOM 1674 CG GLN A 109 -8.471 -13.756 -1.408 1.00 0.00 C ATOM 1675 CD GLN A 109 -9.901 -13.973 -1.861 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -10.180 -14.844 -2.685 1.00 0.00 O ATOM 1677 NE2 GLN A 109 -10.818 -13.175 -1.324 1.00 0.00 N ATOM 0 H GLN A 109 -6.104 -11.697 -2.552 1.00 0.00 H new ATOM 0 HA GLN A 109 -5.724 -14.322 -1.229 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -7.718 -13.590 -3.406 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -7.502 -15.173 -2.687 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -8.280 -14.362 -0.522 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -8.342 -12.714 -1.115 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -10.542 -12.466 -0.644 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -11.798 -13.271 -1.591 1.00 0.00 H new ATOM 1686 N ASP A 110 -4.360 -15.174 -3.134 1.00 0.00 N ATOM 1687 CA ASP A 110 -3.406 -15.584 -4.156 1.00 0.00 C ATOM 1688 C ASP A 110 -2.259 -14.584 -4.260 1.00 0.00 C ATOM 1689 O ASP A 110 -1.200 -14.776 -3.663 1.00 0.00 O ATOM 1690 CB ASP A 110 -4.106 -15.734 -5.507 1.00 0.00 C ATOM 1691 CG ASP A 110 -5.001 -16.956 -5.564 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -6.172 -16.854 -5.142 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -4.531 -18.015 -6.031 1.00 0.00 O ATOM 0 H ASP A 110 -4.433 -15.816 -2.344 1.00 0.00 H new ATOM 0 HA ASP A 110 -2.991 -16.550 -3.868 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -4.701 -14.842 -5.705 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.357 -15.799 -6.296 1.00 0.00 H new ATOM 1698 N ARG A 111 -2.479 -13.518 -5.019 1.00 0.00 N ATOM 1699 CA ARG A 111 -1.469 -12.485 -5.199 1.00 0.00 C ATOM 1700 C ARG A 111 -2.036 -11.273 -5.932 1.00 0.00 C ATOM 1701 O ARG A 111 -1.289 -10.412 -6.396 1.00 0.00 O ATOM 1702 CB ARG A 111 -0.275 -13.049 -5.968 1.00 0.00 C ATOM 1703 CG ARG A 111 -0.581 -13.358 -7.423 1.00 0.00 C ATOM 1704 CD ARG A 111 0.642 -13.898 -8.146 1.00 0.00 C ATOM 1705 NE ARG A 111 0.362 -14.196 -9.547 1.00 0.00 N ATOM 1706 CZ ARG A 111 1.155 -14.936 -10.317 1.00 0.00 C ATOM 1707 NH1 ARG A 111 2.271 -15.453 -9.821 1.00 0.00 N ATOM 1708 NH2 ARG A 111 0.830 -15.160 -11.583 1.00 0.00 N ATOM 0 H ARG A 111 -3.350 -13.347 -5.521 1.00 0.00 H new ATOM 0 HA ARG A 111 -1.143 -12.159 -4.211 1.00 0.00 H new ATOM 0 HB2 ARG A 111 0.547 -12.334 -5.922 1.00 0.00 H new ATOM 0 HB3 ARG A 111 0.066 -13.960 -5.476 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -1.390 -14.087 -7.479 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -0.931 -12.454 -7.922 1.00 0.00 H new ATOM 0 HD2 ARG A 111 1.450 -13.169 -8.085 1.00 0.00 H new ATOM 0 HD3 ARG A 111 0.989 -14.802 -7.646 1.00 0.00 H new ATOM 0 HE ARG A 111 -0.490 -13.815 -9.959 1.00 0.00 H new ATOM 0 HH11 ARG A 111 2.523 -15.284 -8.847 1.00 0.00 H new ATOM 0 HH12 ARG A 111 2.878 -16.020 -10.413 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -0.028 -14.765 -11.967 1.00 0.00 H new ATOM 0 HH22 ARG A 111 1.438 -15.728 -12.173 1.00 0.00 H new ATOM 1722 N GLY A 112 -3.359 -11.206 -6.030 1.00 0.00 N ATOM 1723 CA GLY A 112 -3.994 -10.089 -6.705 1.00 0.00 C ATOM 1724 C GLY A 112 -4.998 -9.378 -5.829 1.00 0.00 C ATOM 1725 O GLY A 112 -5.894 -8.700 -6.328 1.00 0.00 O ATOM 0 H GLY A 112 -4.002 -11.903 -5.655 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -3.230 -9.380 -7.025 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -4.493 -10.449 -7.605 1.00 0.00 H new ATOM 1729 N VAL A 113 -4.815 -9.519 -4.517 1.00 0.00 N ATOM 1730 CA VAL A 113 -5.685 -8.907 -3.506 1.00 0.00 C ATOM 1731 C VAL A 113 -7.168 -9.177 -3.775 1.00 0.00 C ATOM 1732 O VAL A 113 -7.635 -9.154 -4.912 1.00 0.00 O ATOM 1733 CB VAL A 113 -5.422 -7.385 -3.337 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -4.612 -6.834 -4.493 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -6.710 -6.603 -3.166 1.00 0.00 C ATOM 0 H VAL A 113 -4.052 -10.066 -4.119 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.427 -9.389 -2.563 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.839 -7.264 -2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.445 -5.767 -4.345 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.652 -7.348 -4.542 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.155 -6.990 -5.425 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.480 -5.544 -3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -7.341 -6.744 -4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -7.236 -6.958 -2.280 1.00 0.00 H new ATOM 1745 N GLY A 114 -7.902 -9.431 -2.702 1.00 0.00 N ATOM 1746 CA GLY A 114 -9.309 -9.729 -2.872 1.00 0.00 C ATOM 1747 C GLY A 114 -10.230 -8.738 -2.183 1.00 0.00 C ATOM 1748 O GLY A 114 -9.880 -8.177 -1.144 1.00 0.00 O ATOM 0 H GLY A 114 -7.561 -9.437 -1.741 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.541 -9.748 -3.937 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.509 -10.728 -2.484 1.00 0.00 H new ATOM 1752 N TRP A 115 -11.409 -8.520 -2.761 1.00 0.00 N ATOM 1753 CA TRP A 115 -12.402 -7.618 -2.188 1.00 0.00 C ATOM 1754 C TRP A 115 -13.446 -8.412 -1.410 1.00 0.00 C ATOM 1755 O TRP A 115 -13.984 -9.398 -1.915 1.00 0.00 O ATOM 1756 CB TRP A 115 -13.112 -6.806 -3.279 1.00 0.00 C ATOM 1757 CG TRP A 115 -13.007 -5.320 -3.110 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -12.700 -4.411 -4.080 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -13.216 -4.567 -1.907 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -12.699 -3.142 -3.555 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -13.013 -3.211 -2.225 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -13.553 -4.904 -0.594 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -13.137 -2.197 -1.281 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -13.675 -3.894 0.343 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -13.466 -2.556 -0.005 1.00 0.00 C ATOM 0 H TRP A 115 -11.700 -8.961 -3.633 1.00 0.00 H new ATOM 0 HA TRP A 115 -11.878 -6.933 -1.521 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -12.695 -7.080 -4.248 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -14.166 -7.084 -3.295 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -12.489 -4.654 -5.111 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -12.497 -2.287 -4.073 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -13.715 -5.935 -0.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -12.979 -1.162 -1.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -13.936 -4.143 1.361 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.567 -1.791 0.751 1.00 0.00 H new ATOM 1776 N SER A 116 -13.732 -7.985 -0.187 1.00 0.00 N ATOM 1777 CA SER A 116 -14.723 -8.665 0.636 1.00 0.00 C ATOM 1778 C SER A 116 -16.115 -8.516 0.021 1.00 0.00 C ATOM 1779 O SER A 116 -16.862 -9.488 -0.090 1.00 0.00 O ATOM 1780 CB SER A 116 -14.714 -8.102 2.060 1.00 0.00 C ATOM 1781 OG SER A 116 -15.618 -8.806 2.893 1.00 0.00 O ATOM 0 H SER A 116 -13.295 -7.176 0.255 1.00 0.00 H new ATOM 0 HA SER A 116 -14.468 -9.724 0.678 1.00 0.00 H new ATOM 0 HB2 SER A 116 -13.708 -8.167 2.474 1.00 0.00 H new ATOM 0 HB3 SER A 116 -14.982 -7.046 2.038 1.00 0.00 H new ATOM 0 HG SER A 116 -15.592 -8.428 3.797 1.00 0.00 H new ATOM 1787 N HIS A 117 -16.445 -7.289 -0.381 1.00 0.00 N ATOM 1788 CA HIS A 117 -17.741 -6.988 -0.993 1.00 0.00 C ATOM 1789 C HIS A 117 -17.824 -5.513 -1.389 1.00 0.00 C ATOM 1790 O HIS A 117 -17.388 -4.639 -0.639 1.00 0.00 O ATOM 1791 CB HIS A 117 -18.895 -7.340 -0.044 1.00 0.00 C ATOM 1792 CG HIS A 117 -18.566 -7.176 1.408 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -18.542 -8.081 2.416 1.00 0.00 N flip ATOM 1794 CD2 HIS A 117 -18.205 -5.971 1.971 1.00 0.00 C flip ATOM 1795 CE1 HIS A 117 -18.171 -7.412 3.554 1.00 0.00 C flip ATOM 1796 NE2 HIS A 117 -17.972 -6.141 3.260 1.00 0.00 N flip ATOM 0 H HIS A 117 -15.828 -6.481 -0.293 1.00 0.00 H new ATOM 0 HA HIS A 117 -17.832 -7.600 -1.891 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -19.753 -6.712 -0.284 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -19.196 -8.372 -0.223 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -18.125 -5.034 1.441 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -18.060 -7.854 4.533 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -17.687 -5.414 3.916 1.00 0.00 H new ATOM 1805 N PRO A 118 -18.386 -5.215 -2.577 1.00 0.00 N ATOM 1806 CA PRO A 118 -18.522 -3.841 -3.072 1.00 0.00 C ATOM 1807 C PRO A 118 -19.605 -3.068 -2.320 1.00 0.00 C ATOM 1808 O PRO A 118 -19.857 -3.331 -1.143 1.00 0.00 O ATOM 1809 CB PRO A 118 -18.920 -4.017 -4.548 1.00 0.00 C ATOM 1810 CG PRO A 118 -18.759 -5.473 -4.842 1.00 0.00 C ATOM 1811 CD PRO A 118 -18.937 -6.182 -3.534 1.00 0.00 C ATOM 0 HA PRO A 118 -17.604 -3.269 -2.936 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -19.948 -3.695 -4.717 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.286 -3.414 -5.198 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -19.497 -5.808 -5.571 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -17.776 -5.679 -5.267 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -19.985 -6.404 -3.331 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -18.400 -7.130 -3.509 1.00 0.00 H new ATOM 1819 N LEU A 119 -20.248 -2.115 -3.000 1.00 0.00 N ATOM 1820 CA LEU A 119 -21.301 -1.322 -2.386 1.00 0.00 C ATOM 1821 C LEU A 119 -22.486 -2.200 -1.987 1.00 0.00 C ATOM 1822 O LEU A 119 -22.707 -3.261 -2.570 1.00 0.00 O ATOM 1823 CB LEU A 119 -21.765 -0.200 -3.325 1.00 0.00 C ATOM 1824 CG LEU A 119 -21.655 -0.466 -4.834 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -20.235 -0.231 -5.316 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -22.120 -1.868 -5.194 1.00 0.00 C ATOM 0 H LEU A 119 -20.054 -1.879 -3.973 1.00 0.00 H new ATOM 0 HA LEU A 119 -20.888 -0.868 -1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -22.806 0.025 -3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -21.187 0.695 -3.095 1.00 0.00 H new ATOM 0 HG LEU A 119 -22.316 0.237 -5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -20.178 -0.425 -6.387 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -19.950 0.802 -5.118 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -19.556 -0.902 -4.789 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -22.027 -2.017 -6.270 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -21.505 -2.601 -4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -23.162 -1.993 -4.899 1.00 0.00 H new ATOM 1838 N PRO A 120 -23.265 -1.762 -0.982 1.00 0.00 N ATOM 1839 CA PRO A 120 -24.425 -2.503 -0.489 1.00 0.00 C ATOM 1840 C PRO A 120 -25.662 -2.322 -1.363 1.00 0.00 C ATOM 1841 O PRO A 120 -25.582 -1.829 -2.488 1.00 0.00 O ATOM 1842 CB PRO A 120 -24.675 -1.905 0.907 1.00 0.00 C ATOM 1843 CG PRO A 120 -23.610 -0.873 1.121 1.00 0.00 C ATOM 1844 CD PRO A 120 -23.080 -0.517 -0.237 1.00 0.00 C ATOM 0 HA PRO A 120 -24.234 -3.576 -0.486 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -25.667 -1.457 0.966 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -24.628 -2.677 1.675 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -24.017 0.006 1.621 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -22.815 -1.262 1.757 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -23.631 0.310 -0.684 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -22.032 -0.218 -0.199 1.00 0.00 H new ATOM 1852 N GLN A 121 -26.804 -2.730 -0.821 1.00 0.00 N ATOM 1853 CA GLN A 121 -28.066 -2.620 -1.533 1.00 0.00 C ATOM 1854 C GLN A 121 -28.876 -1.439 -1.016 1.00 0.00 C ATOM 1855 O GLN A 121 -29.177 -1.358 0.176 1.00 0.00 O ATOM 1856 CB GLN A 121 -28.866 -3.911 -1.376 1.00 0.00 C ATOM 1857 CG GLN A 121 -28.631 -4.914 -2.494 1.00 0.00 C ATOM 1858 CD GLN A 121 -29.509 -6.145 -2.371 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -29.839 -6.520 -1.140 1.00 0.00 O flip ATOM 1860 NE2 GLN A 121 -29.885 -6.754 -3.372 1.00 0.00 N flip ATOM 0 H GLN A 121 -26.879 -3.140 0.110 1.00 0.00 H new ATOM 0 HA GLN A 121 -27.854 -2.455 -2.589 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -28.608 -4.374 -0.424 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -29.928 -3.668 -1.335 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -28.820 -4.433 -3.454 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -27.584 -5.218 -2.490 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -29.608 -6.431 -4.299 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -30.474 -7.581 -3.275 1.00 0.00 H new ATOM 1869 N CYS A 122 -29.227 -0.523 -1.913 1.00 0.00 N ATOM 1870 CA CYS A 122 -29.998 0.648 -1.530 1.00 0.00 C ATOM 1871 C CYS A 122 -31.469 0.498 -1.898 1.00 0.00 C ATOM 1872 O CYS A 122 -31.829 0.472 -3.075 1.00 0.00 O ATOM 1873 CB CYS A 122 -29.421 1.901 -2.181 1.00 0.00 C ATOM 1874 SG CYS A 122 -28.353 2.856 -1.066 1.00 0.00 S ATOM 0 H CYS A 122 -28.990 -0.571 -2.904 1.00 0.00 H new ATOM 0 HA CYS A 122 -29.932 0.744 -0.446 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -28.850 1.614 -3.064 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -30.239 2.535 -2.522 1.00 0.00 H new ATOM 1879 N GLU A 123 -32.311 0.399 -0.876 1.00 0.00 N ATOM 1880 CA GLU A 123 -33.749 0.267 -1.071 1.00 0.00 C ATOM 1881 C GLU A 123 -34.479 1.279 -0.196 1.00 0.00 C ATOM 1882 O GLU A 123 -34.087 1.529 0.942 1.00 0.00 O ATOM 1883 CB GLU A 123 -34.207 -1.154 -0.734 1.00 0.00 C ATOM 1884 CG GLU A 123 -35.701 -1.374 -0.920 1.00 0.00 C ATOM 1885 CD GLU A 123 -36.147 -1.161 -2.353 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -36.056 -2.117 -3.152 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -36.589 -0.039 -2.677 1.00 0.00 O ATOM 0 H GLU A 123 -32.020 0.408 0.102 1.00 0.00 H new ATOM 0 HA GLU A 123 -33.984 0.463 -2.117 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -33.664 -1.860 -1.362 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -33.942 -1.377 0.299 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -35.957 -2.387 -0.611 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -36.249 -0.694 -0.268 1.00 0.00 H new ATOM 1894 N ILE A 124 -35.541 1.862 -0.741 1.00 0.00 N ATOM 1895 CA ILE A 124 -36.305 2.867 -0.014 1.00 0.00 C ATOM 1896 C ILE A 124 -37.148 2.225 1.082 1.00 0.00 C ATOM 1897 O ILE A 124 -37.577 1.078 0.957 1.00 0.00 O ATOM 1898 CB ILE A 124 -37.227 3.670 -0.956 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -37.849 4.852 -0.208 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -38.309 2.768 -1.533 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -38.707 5.745 -1.079 1.00 0.00 C ATOM 0 H ILE A 124 -35.890 1.657 -1.677 1.00 0.00 H new ATOM 0 HA ILE A 124 -35.583 3.548 0.436 1.00 0.00 H new ATOM 0 HB ILE A 124 -36.631 4.060 -1.781 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -38.455 4.471 0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -37.052 5.450 0.234 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -38.951 3.348 -2.195 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -37.845 1.958 -2.096 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -38.906 2.351 -0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -39.112 6.559 -0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -38.101 6.157 -1.886 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -39.526 5.163 -1.501 1.00 0.00 H new ATOM 1913 N LEU A 125 -37.377 2.972 2.154 1.00 0.00 N ATOM 1914 CA LEU A 125 -38.174 2.485 3.272 1.00 0.00 C ATOM 1915 C LEU A 125 -39.630 2.309 2.848 1.00 0.00 C ATOM 1916 O LEU A 125 -39.932 2.230 1.657 1.00 0.00 O ATOM 1917 CB LEU A 125 -38.081 3.462 4.447 1.00 0.00 C ATOM 1918 CG LEU A 125 -36.657 3.814 4.894 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -36.676 5.026 5.812 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -36.003 2.630 5.590 1.00 0.00 C ATOM 0 H LEU A 125 -37.021 3.920 2.273 1.00 0.00 H new ATOM 0 HA LEU A 125 -37.783 1.517 3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -38.597 4.383 4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -38.616 3.036 5.296 1.00 0.00 H new ATOM 0 HG LEU A 125 -36.069 4.056 4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -35.658 5.264 6.121 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -37.103 5.877 5.282 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -37.281 4.806 6.692 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -34.994 2.902 5.899 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -36.589 2.354 6.467 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -35.957 1.784 4.904 1.00 0.00 H new